A0A077Z2K3_TRITR Loading...

EGF CA and EGF and hEGF domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2K3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 500 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
1M35.3Very low33Very low250 Ų250173.8 Ų173.8100%1.23286%0.858SS**  0128.60-85.4-179.8178.700108
2V30.6Very low32.8Very low146 Ų146165.6 Ų165.689%0.88585%0.851SS**  trans-62.3129.9-173.2176.20000112.2
3K38.5Very low32.7Very low176 Ų176163 Ų16377%0.76584%0.838SS**  trans165.6132.4155.9-95.5178175.2-167.10106.5
4E38.3Very low32.7Very low157 Ų157165.3 Ų165.373%0.73484%0.844SS**  cis-161.6129.911-115.9156.8-155.400106.2
5L30.2Very low32.8Very low170 Ų170164.2 Ų164.289%0.8983%0.833SS**  trans-68.5131167.3-83.1145.9000109.3
6N35.7Very low32.9Very low152 Ų152158.9 Ų158.981%0.81383%0.833SS**  trans-124.688.4161.5-106.9-17.9000110.7
7T34.5Very low32.9Very low109 Ų109157.9 Ų157.967%0.66983%0.826SS**  trans34.9113.4131.755.90000120.5
8Q30.1Very low32.9Very low190 Ų190161.8 Ų161.889%0.88883%0.83SS**  32.3121.2127.8-69.2-177.2-17.500118.9
9K32.5Very low32.7Very low208 Ų208158.9 Ų158.990%0.90483%0.826SS**  trans-131.2145.8133.4-95.4-171.9177.4176.40110.5
10P31Very low32.8Very low116 Ų116155.1 Ų155.175%0.75382%0.819SS**  trans-105.1174.3-14531.4-16.6000112.9G12P10-G12 PolarHBondContact O-N 3.12Å
11W26.1Very low32.8Very low238 Ų238160.1 Ų160.190%0.90283%0.826SS**  trans-38.2115.8166.8-74.326.3000112.6
12G31.3Very low32.7Very low75 Ų75151.8 Ų151.877%0.77381%0.805SS**  trans-93.986.7167.800000110.1P10 E14P10-G12 PolarHBondContact O-N 3.12Å; G12-E14 PolarHBondContact O-N 2.92Å
13L30.9Very low32.7Very low132 Ų132156.2 Ų156.269%0.69181%0.806SS**  trans-66.599.9155.2-91.9150.9000107.6H15L13-H15 PolarHBondContact O-N 3.27Å
14E33Very low32.4Very low195 Ų195155.8 Ų155.891%0.91181%0.811SS**  trans-74.982.8158.6-85.1-170.3156.300108.9G12 G16G12-E14 PolarHBondContact O-N 2.92Å; E14-G16 PolarHBondContact O-N 3.4Å
15H34.3Very low32Very low149 Ų149151.5 Ų151.569%0.6980%0.802SS**  trans-78.5101.7149.4-88.4-90.5000108.4L13 I17L13-H15 PolarHBondContact O-N 3.27Å; H15-I17 PolarHBondContact O-N 3.19Å; H15-I17 VanDerWaalsContact O-N 3.14Å
16G33.8Very low31.9Very low80 Ų80154.2 Ų154.283%0.82580%0.802SS**  trans-68.197.7156.500000109.9E14E14-G16 PolarHBondContact O-N 3.4Å
17I33Very low31.8Very low141 Ų141152.7 Ų152.772%0.72380%0.799SS**  trans-78.6123.9166.9-64.5168.2000108.2H15H15-I17 PolarHBondContact O-N 3.19Å; H15-I17 VanDerWaalsContact O-N 3.14Å
18Y32.3Very low31.6Very low228 Ų228156.2 Ų156.289%0.89481%0.807SS**  trans165.3130.1149.1-89.9-70.2000105.2
19S30.6Very low31.8Very low107 Ų107155.1 Ų155.175%0.74880%0.802SS**  cis-169.4160.80.4176.90000106.2
20A33.7Very low31.9Very low83 Ų83153.9 Ų153.969%0.68679%0.792SS**  trans70.294.9164.300000117.9G22A20-G22 PolarHBondContact O-N 2.81Å; A20-G22 VanDerWaalsContact O-N 3.12Å
21R33.4Very low32.2Very low260 Ų260154.6 Ų154.698%0.98180%0.798SS**  2881.6119.1-73.5179172.9163.4-1.6115.3
22G33.3Very low32.8Very low75 Ų75151.1 Ų151.177%0.77379%0.789SS**  trans-121.394.9146.600000107.5A20A20-G22 PolarHBondContact O-N 2.81Å; A20-G22 VanDerWaalsContact O-N 3.12Å
23R30.3Very low33.3Very low240 Ų240155.7 Ų155.791%0.90679%0.791SS**  trans-55.9140161.8-87.6178.2-173.71711.9107.9
24L31.7Very low33.9Very low167 Ų167155.7 Ų155.787%0.87479%0.791SS**  171.5108.3129.7-88.2150.2000105.7
25A30.7Very low34.4Very low66 Ų66152.3 Ų152.355%0.54578%0.777SS.*  93.1113.771.200000110.8
26Y27.6Very low35.1Very low227 Ų227147.1 Ų147.189%0.8976%0.758SS**  trans69.2137.3154.1-68.2-112.3000114.1
27T33.7Very low35.8Very low121 Ų121147.8 Ų147.874%0.74275%0.747SS**  cis-158.515842.239.30000109.9
28E31.2Very low36.5Very low183 Ų183150.6 Ų150.686%0.85576%0.758SS**  trans-44151.6160.8-63.6168.913800112.1
29E33.7Very low36.9Very low166 Ų166144.9 Ų144.978%0.77675%0.751SS**  trans117101.5-177.7-72.2174.8-162.900108.5
30R35.3Very low37.5Very low183 Ų183143.8 Ų143.869%0.69174%0.74SS**  -172.6108.760.7-76.1171.7-166.6-178.91.7109F32R30-F32 HydrophobicContact CB-CB 4.18Å; R30-F32 PolarHBondContact O-N 3.48Å
31C36Very low38.1Very low130 Ų130147.7 Ų147.788%0.87876%0.755SS**THydrogen-bonded Turntrans-73.953158.4-780000110.4
32F39.2Very low38.9Very low165 Ų165139 Ų13972%0.72473%0.734SS**THydrogen-bonded Turntrans-129.36.7-173.4-106.9-81.8000114.3R30R30-F32 HydrophobicContact CB-CB 4.18Å; R30-F32 PolarHBondContact O-N 3.48Å
33E42.6Very low39.7Very low172 Ų172144 Ų14480%0.80474%0.735SS**  trans-112.115.1179.4-70.4-174.1174.600114.2I35E33-I35 VanDerWaalsContact C-N 3.28Å; E33-I35 PolarHBondContact O-N 2.97Å
34L41.6Very low41Very low132 Ų132135.8 Ų135.869%0.69171%0.713SS**  trans-8922.8176.1-85.1157.3000113.8
35I44.8Very low42.4Very low123 Ų123129.2 Ų129.263%0.63168%0.683SS**SBendtrans-98.2120.8-176.7-55175.3000108.2E33E33-I35 VanDerWaalsContact C-N 3.28Å; E33-I35 PolarHBondContact O-N 2.97Å
36C47.7Very low44Very low40 Ų40130.6 Ų130.627%0.2767%0.674SS.*PPolyproline II helixtrans-50.9130.6176.1-62.20000108.7E38 C51C36-E38 PolarHBondContact O-N 3.14Å; C36-C51 WeakPolarHBondContact CB-SG 3.18Å; C36-C51 WeakPolarHBondContact SG-CB 3.06Å; C36-C51 CovalentContact SG-SG 2.1Å; C36-C51 PolarHBondContact SG-SG 3.2Å
37P50.1Low45.7Very low94 Ų94123.4 Ų123.461%0.6165%0.654SS**PPolyproline II helixtrans-65.8119.9-16723.7-32000111.5S39P37-S39 PolarHBondContact O-N 3.14Å
38E47.4Very low47.1Very low201 Ų201118.8 Ų118.894%0.93963%0.631SS**SBendtrans-68.87.3176.8-79.2-168157.700114.2C36C36-E38 PolarHBondContact O-N 3.14Å
39S41.3Very low48.6Very low107 Ų107116.6 Ų116.675%0.74863%0.625SS**  trans-150.872.4-178.872.30000113.1P37P37-S39 PolarHBondContact O-N 3.14Å
40T42.9Very low50.1Low85 Ų85116 Ų11652%0.52162%0.62SS.*  trans-134.9129155.544.30000109.4S42T40-S42 PolarHBondContact O-N 2.72Å
41T44.8Very low51.5Low164 Ų164109.3 Ų109.3100%1.00660%0.601SS**SBendtrans-66.824.9179.745.90000114.4
42S51.2Low53.2Low78 Ų78107.9 Ų107.955%0.54558%0.582SS.*SBendtrans-131.5107.6171.154.90000105.8T40T40-S42 PolarHBondContact O-N 2.72Å
43F50.6Low54.7Low179 Ų179106.3 Ų106.379%0.78557%0.574SS**  trans-53.1124.2173-89.3-91.5000107.8A45 L55F43-A45 PolarHBondContact O-N 2.88Å; F43-L55 HydrophobicContact CB-CD2 4.47Å
44P56.7Low56.3Low69 Ų69100.2 Ų100.245%0.44855%0.548SS..  trans-59.7134.6175.423.1-29.8000108.2Y46P44-Y46 WeakPolarHBondContact CB-O 3.18Å; P44-Y46 WeakPolarHBondContact CG-O 3.48Å; P44-Y46 PolarHBondContact O-N 3.21Å
45A60.8Low58Low29 Ų2995 Ų9524%0.2452%0.52CS..SBendtrans-58.1-3.3171.800000112.7F43 N54 L55F43-A45 PolarHBondContact O-N 2.88Å; A45-N54 PolarHBondContact O-OD1 2.87Å; A45-L55 PolarHBondContact O-N 2.1Å
46Y64.2Low59.9Low94 Ų9492 Ų9237%0.36951%0.506SS..EExtended strand (participates in β ladder)trans-130.1141.8177.7-60.2-97.4000111.4P44 C51 K53 N75P44-Y46 WeakPolarHBondContact CB-O 3.18Å; P44-Y46 WeakPolarHBondContact CG-O 3.48Å; P44-Y46 PolarHBondContact O-N 3.21Å; Y46-C51 WeakPolarHBondContact CB-O 3.36Å; Y46-K53 CarbonylContact C-O 3.36Å; Y46-K53 WeakPolarHBondContact CA-O 3.43Å; Y46-K53 WeakPolarHBondContact CB-O 3.43Å; Y46-N75 PolarHBondContact OH-O 3.39Å; Y46-N75 VanDerWaalsContact OH-O 3.04Å
47T63.8Low61.6Low76 Ų7691 Ų9147%0.46650%0.497SS..EExtended strand (participates in β ladder)trans-116.1164.7175.3-174.70000110.3C51 E52 K53T47-C51 CarbonylContact O-C 3.44Å; T47-E52 PolarHBondContact O-N 2.74Å; T47-K53 HydrophobicContact CG2-CB 3.76Å; T47-K53 PolarHBondContact N-O 2.98Å; T47-K53 WeakPolarHBondContact O-CB 3.47Å; T47-K53 PolarHBondContact O-N 3.24Å
48G63.8Low63.3Low25 Ų2588.1 Ų88.126%0.25848%0.479SS..SBendtrans110.8158.6-174.700000113.1F50 C51 E52G48-F50 PolarHBondContact O-N 3.04Å; G48-F50 VanDerWaalsContact O-N 3.14Å; G48-C51 PolarHBondContact O-N 3.45Å; G48-E52 WeakPolarHBondContact CA-OE2 3.26Å
49D61.8Low65.1Low137 Ų13782.1 Ų82.173%0.73346%0.464SS*.THydrogen-bonded Turntrans-63.4-19.9-176.2-66.1-32.4000112.4E52D49-E52 PolarHBondContact N-OE2 3.21Å
50F65.9Low66.9Low152 Ų15283.1 Ų83.167%0.66746%0.456SS*.THydrogen-bonded Turntrans-120.420175.2-57-81.7000111.8G48 E52G48-F50 PolarHBondContact O-N 3.04Å; G48-F50 VanDerWaalsContact O-N 3.14Å; F50-E52 WeakPolarHBondContact CA-OE2 3.33Å; F50-E52 WeakPolarHBondContact CB-OE2 3.39Å; F50-E52 PolarHBondContact N-OE2 3.04Å; F50-E52 PolarHBondContact O-N 3.19Å
51C64.6Low68.7Low43 Ų4381.7 Ų81.729%0.29146%0.458SS..SBendtrans5242.2-178.3-75.80000111.8C36 Y46 T47 G48C36-C51 WeakPolarHBondContact CB-SG 3.18Å; C36-C51 WeakPolarHBondContact SG-CB 3.06Å; C36-C51 CovalentContact SG-SG 2.1Å; C36-C51 PolarHBondContact SG-SG 3.2Å; Y46-C51 WeakPolarHBondContact CB-O 3.36Å; T47-C51 CarbonylContact O-C 3.44Å; G48-C51 PolarHBondContact O-N 3.45Å
52E71.5Confident70.5Confident101 Ų10177.2 Ų77.247%0.47243%0.43SS..  trans-98.6-5.9-168.672.7-77.8-17800115.8T47 G48 D49 F50T47-E52 PolarHBondContact O-N 2.74Å; G48-E52 WeakPolarHBondContact CA-OE2 3.26Å; D49-E52 PolarHBondContact N-OE2 3.21Å; F50-E52 WeakPolarHBondContact CA-OE2 3.33Å; F50-E52 WeakPolarHBondContact CB-OE2 3.39Å; F50-E52 PolarHBondContact N-OE2 3.04Å; F50-E52 PolarHBondContact O-N 3.19Å
53K71.5Confident71.9Confident131 Ų13176.4 Ų76.457%0.5742%0.418SS*.EExtended strand (participates in β ladder)trans-116.7132.5-178.5-61.4176.6-178.11710110.3Y46 T47Y46-K53 CarbonylContact C-O 3.36Å; Y46-K53 WeakPolarHBondContact CA-O 3.43Å; Y46-K53 WeakPolarHBondContact CB-O 3.43Å; T47-K53 HydrophobicContact CG2-CB 3.76Å; T47-K53 PolarHBondContact N-O 2.98Å; T47-K53 WeakPolarHBondContact O-CB 3.47Å; T47-K53 PolarHBondContact O-N 3.24Å
54N76Confident73.7Confident45 Ų4573.4 Ų73.424%0.24141%0.41CS..EExtended strand (participates in β ladder)trans-59.1140.4172.4-169.349.5000110.8A45 D73 T74 N75A45-N54 PolarHBondContact O-OD1 2.87Å; N54-D73 PolarHBondContact ND2-OD2 3.02Å; N54-T74 PolarHBondContact ND2-O 2.85Å; N54-N75 VanDerWaalsContact OD1-C 3.31Å; N54-N75 PolarHBondContact OD1-O 2.97Å
55L77.4Confident75.1Confident22 Ų2271 Ų7112%0.11540%0.395CS..  trans-83.6112.9169.8179.267.7000108.7F43 A45 E57 V62F43-L55 HydrophobicContact CB-CD2 4.47Å; A45-L55 PolarHBondContact O-N 2.1Å; L55-E57 HydrophobicContact CD2-CG 4.36Å; L55-E57 HydrophobicContact CG-CG 4.44Å; L55-E57 PolarHBondContact O-N 3.33Å; L55-V62 HydrophobicContact CD2-CG2 4.36Å
56D83.5Confident76.2Confident61 Ų6172.1 Ų72.133%0.32640%0.399SS..  trans-73.495.1172.9-177.8-18000109.6C58 A59 H60 D73D56-C58 PolarHBondContact O-N 3.21Å; D56-C58 WeakPolarHBondContact OD1-CA 3.31Å; D56-C58 WeakPolarHBondContact OD1-CB 3.27Å; D56-C58 PolarHBondContact OD1-N 3.24Å; D56-C58 VanDerWaalsContact OD1-N 3.1Å; D56-A59 HydrophobicContact CB-CB 3.88Å; D56-A59 PolarHBondContact O-N 3Å; D56-A59 PolarHBondContact OD1-N 2.59Å; D56-A59 VanDerWaalsContact OD2-CB 3.25Å; D56-A59 WeakPolarHBondContact OD2-CB 3.4Å; D56-H60 WeakPolarHBondContact O-CB 3.25Å; D56-H60 PolarHBondContact O-CD2 3.21Å; D56-H60 VanDerWaalsContact O-CD2 3.26Å; D56-H60 PolarHBondContact O-N 3.02Å; D56-D73 WeakPolarHBondContact CA-OD1 3.41Å
57E84.9Confident77.1Confident18 Ų1872.7 Ų72.78%0.08442%0.424CS..THydrogen-bonded Turntrans-66.6-26.9-175.8-65.6106.4165.800112.4L55 G61 V62 D73 S77 Y78L55-E57 HydrophobicContact CD2-CG 4.36Å; L55-E57 HydrophobicContact CG-CG 4.44Å; L55-E57 PolarHBondContact O-N 3.33Å; E57-G61 PolarHBondContact O-N 2.05Å; E57-G61 VanDerWaalsContact O-N 3.15Å; E57-V62 HydrophobicContact CB-CG2 3.7Å; E57-V62 HydrophobicContact CG-CG2 3.78Å; E57-V62 PolarHBondContact O-N 2.71Å; E57-D73 PolarHBondContact N-OD1 3.15Å; E57-S77 WeakPolarHBondContact OE2-CA 3.45Å; E57-Y78 HydrophobicContact CB-CD1 3.55Å; E57-Y78 HydrophobicContact CB-CE1 4.3Å; E57-Y78 HydrophobicContact CB-CG 4.09Å; E57-Y78 HydrophobicContact CG-CD1 3.82Å; E57-Y78 HydrophobicContact CG-CE1 4.44Å; E57-Y78 PolarHBondContact OE2-N 3.01Å
58C85.5Confident78Confident34 Ų3473 Ų7323%0.2344%0.442CS..THydrogen-bonded Turntrans-71.6-41.9176-58.70000111.6D56 C71 R72 D73D56-C58 PolarHBondContact O-N 3.21Å; D56-C58 WeakPolarHBondContact OD1-CA 3.31Å; D56-C58 WeakPolarHBondContact OD1-CB 3.27Å; D56-C58 PolarHBondContact OD1-N 3.24Å; D56-C58 VanDerWaalsContact OD1-N 3.1Å; C58-C71 VanDerWaalsContact CA-SG 3.54Å; C58-C71 HydrophobicContact CB-CB 3.83Å; C58-C71 WeakPolarHBondContact CB-SG 3.46Å; C58-C71 WeakPolarHBondContact SG-CB 3.11Å; C58-C71 CovalentContact SG-SG 2.05Å; C58-C71 PolarHBondContact SG-SG 2.82Å; C58-R72 PolarHBondContact SG-N 3.43Å; C58-R72 VanDerWaalsContact SG-N 3.38Å; C58-D73 PolarHBondContact SG-N 3.27Å; C58-D73 VanDerWaalsContact SG-N 3.43Å
59A84.1Confident79Confident75 Ų7577 Ų7762%0.6245%0.449SS*.THydrogen-bonded Turntrans-73.3-32.4176.900000113D56 G61D56-A59 HydrophobicContact CB-CB 3.88Å; D56-A59 PolarHBondContact O-N 3Å; D56-A59 PolarHBondContact OD1-N 2.59Å; D56-A59 VanDerWaalsContact OD2-CB 3.25Å; D56-A59 WeakPolarHBondContact OD2-CB 3.4Å; A59-G61 VanDerWaalsContact C-N 3.34Å
60H80.3Confident80.4Confident127 Ų12775.5 Ų75.559%0.58844%0.437SS*.THydrogen-bonded Turntrans-85-5.3178.7-78.5-79.4000113.9D56 V62D56-H60 WeakPolarHBondContact O-CB 3.25Å; D56-H60 PolarHBondContact O-CD2 3.21Å; D56-H60 VanDerWaalsContact O-CD2 3.26Å; D56-H60 PolarHBondContact O-N 3.02Å; H60-V62 HydrophobicContact CB-CG1 4.41Å; H60-V62 HydrophobicContact CB-CG2 3.92Å; H60-V62 PolarHBondContact O-N 3.34Å
61G80.4Confident81.5Confident55 Ų5569.6 Ų69.657%0.56742%0.415SS*.THydrogen-bonded Turntrans66.126.7-179.300000113.2E57 A59E57-G61 PolarHBondContact O-N 2.05Å; E57-G61 VanDerWaalsContact O-N 3.15Å; A59-G61 VanDerWaalsContact C-N 3.34Å
62V81.3Confident82.6Confident70 Ų7072.6 Ų72.642%0.42442%0.42SS..  trans-103.729.1-179.2-65.20000111.8L55 E57 H60L55-V62 HydrophobicContact CD2-CG2 4.36Å; E57-V62 HydrophobicContact CB-CG2 3.7Å; E57-V62 HydrophobicContact CG-CG2 3.78Å; E57-V62 PolarHBondContact O-N 2.71Å; H60-V62 HydrophobicContact CB-CG1 4.41Å; H60-V62 HydrophobicContact CB-CG2 3.92Å; H60-V62 PolarHBondContact O-N 3.34Å
63H82.5Confident83.3Confident61 Ų6170.4 Ų70.428%0.28241%0.412SS..  trans-104153.9176.365.679000112.4C65 C71 Y78H63-C65 PolarHBondContact ND1-N 3.38Å; H63-C71 VanDerWaalsContact CB-SG 3.58Å; H63-C71 VanDerWaalsContact CG-SG 3.54Å; H63-Y78 HydrophobicContact CB-CD1 4.33Å; H63-Y78 HydrophobicContact CB-CD2 3.61Å; H63-Y78 HydrophobicContact CB-CE1 4.29Å; H63-Y78 HydrophobicContact CB-CE2 3.59Å; H63-Y78 HydrophobicContact CB-CG 4Å
64N86.6Confident83.8Confident117 Ų11766.5 Ų66.563%0.62640%0.399SS*.  trans-104.325.4178.4-71.3-29.2000113.9Y78N64-Y78 PolarHBondContact N-OH 3.33Å
65C87.3Confident83.8Confident18 Ų1870.7 Ų70.712%0.12242%0.421CS..PPolyproline II helixtrans-61.5136.4175.5-570000113.2H63 R69 C80H63-C65 PolarHBondContact ND1-N 3.38Å; C65-R69 HydrophobicContact CB-CB 4.5Å; C65-C80 WeakPolarHBondContact CA-SG 3.16Å; C65-C80 HydrophobicContact CB-CB 3.71Å; C65-C80 WeakPolarHBondContact CB-SG 3.45Å; C65-C80 WeakPolarHBondContact SG-CB 3.49Å; C65-C80 CovalentContact SG-SG 2.02Å; C65-C80 PolarHBondContact SG-SG 3.01Å
66P84.4Confident83.5Confident52 Ų5274.2 Ų74.234%0.33844%0.444SS..PPolyproline II helixtrans-58.8150.3174.1-21.831.5000111.9G68 R69 N90 C91P66-G68 PolarHBondContact O-N 3.1Å; P66-R69 HydrophobicContact CB-CG 3.97Å; P66-R69 HydrophobicContact CG-CG 4.21Å; P66-R69 WeakPolarHBondContact O-CB 3.14Å; P66-R69 PolarHBondContact O-N 3.3Å; P66-N90 VanDerWaalsContact CD-O 3.3Å; P66-N90 WeakPolarHBondContact CD-O 3.18Å; P66-N90 WeakPolarHBondContact CG-O 3.2Å; P66-C91 HydrophobicContact CG-CB 3.98Å
67A82.3Confident83.2Confident106 Ų10673.4 Ų73.488%0.87644%0.443SS*.THydrogen-bonded Turntrans-53.5124.7179.600000111.5
68G81.9Confident83.3Confident82 Ų8274 Ų7485%0.84545%0.445SS*.THydrogen-bonded Turntrans87.23-179.100000115.8P66P66-G68 PolarHBondContact O-N 3.1Å
69R86.4Confident83.4Confident111 Ų11176.8 Ų76.842%0.41945%0.451SS..PPolyproline II helixtrans-92.9143.1172-58.3-64.7151.3-165.8-3.4111C65 P66 V81 A83C65-R69 HydrophobicContact CB-CB 4.5Å; P66-R69 HydrophobicContact CB-CG 3.97Å; P66-R69 HydrophobicContact CG-CG 4.21Å; P66-R69 WeakPolarHBondContact O-CB 3.14Å; P66-R69 PolarHBondContact O-N 3.3Å; R69-V81 WeakPolarHBondContact CB-O 3.42Å; R69-V81 WeakPolarHBondContact CD-O 2.95Å; R69-A83 VanDerWaalsContact NH1-CB 3.28Å
70E89.5Confident83.7Confident104 Ų10473.5 Ų73.549%0.48642%0.423SS..PPolyproline II helixtrans-75.1125.4178.3-177.3-170.914200109.5R72 C80 V81E70-R72 IonicContact OE1-CZ 3.42Å; E70-R72 IonicContact OE1-NE 2.82Å; E70-R72 PolarHBondContact OE1-NE 2.99Å; E70-R72 IonicContact OE1-NH2 3.11Å; E70-R72 PolarHBondContact OE1-NH2 3.26Å; E70-R72 VanDerWaalsContact OE1-NH2 3.11Å; E70-R72 IonicContact OE2-NH2 3.95Å; E70-C80 CarbonylContact O-C 3.54Å; E70-C80 WeakPolarHBondContact O-CA 3.43Å; E70-V81 HydrophobicContact CB-CB 4.05Å; E70-V81 HydrophobicContact CB-CG2 3.95Å; E70-V81 HydrophobicContact CG-CG2 4.29Å; E70-V81 PolarHBondContact O-N 3.44Å
71C89.3Confident84.1Confident28 Ų2869.8 Ų69.819%0.18941%0.41CS..EExtended strand (participates in β ladder)trans-86.7137171.8-176.10000109.5C58 H63C58-C71 VanDerWaalsContact CA-SG 3.54Å; C58-C71 HydrophobicContact CB-CB 3.83Å; C58-C71 WeakPolarHBondContact CB-SG 3.46Å; C58-C71 WeakPolarHBondContact SG-CB 3.11Å; C58-C71 CovalentContact SG-SG 2.05Å; C58-C71 PolarHBondContact SG-SG 2.82Å; H63-C71 VanDerWaalsContact CB-SG 3.58Å; H63-C71 VanDerWaalsContact CG-SG 3.54Å
72R88.9Confident84.5Confident106 Ų10669 Ų6940%0.440%0.395SS..EExtended strand (participates in β ladder)trans-126.3121.6174.7-70.5-174175.71754.5111C58 E70 Y78 Y79 V81C58-R72 PolarHBondContact SG-N 3.43Å; C58-R72 VanDerWaalsContact SG-N 3.38Å; E70-R72 IonicContact OE1-CZ 3.42Å; E70-R72 IonicContact OE1-NE 2.82Å; E70-R72 PolarHBondContact OE1-NE 2.99Å; E70-R72 IonicContact OE1-NH2 3.11Å; E70-R72 PolarHBondContact OE1-NH2 3.26Å; E70-R72 VanDerWaalsContact OE1-NH2 3.11Å; E70-R72 IonicContact OE2-NH2 3.95Å; R72-Y78 CarbonylContact O-C 3.48Å; R72-Y78 VanDerWaalsContact O-CA 3.27Å; R72-Y78 WeakPolarHBondContact O-CA 3.48Å; R72-Y79 HydrophobicContact CB-CD1 4.02Å; R72-Y79 HydrophobicContact CB-CD2 4.5Å; R72-Y79 HydrophobicContact CB-CE1 3.54Å; R72-Y79 HydrophobicContact CB-CE2 4.07Å; R72-Y79 HydrophobicContact CB-CG 4.49Å; R72-Y79 VanDerWaalsContact CD-CZ 3.45Å; R72-Y79 WeakPolarHBondContact CD-OH 3.29Å; R72-Y79 HydrophobicContact CG-CE2 4.42Å; R72-Y79 PolarHBondContact N-O 3.19Å; R72-Y79 PolarHBondContact NH1-OH 2.92Å; R72-Y79 PolarHBondContact O-N 2.81Å; R72-V81 HydrophobicContact CG-CG2 4.28Å
73D84.8Confident84.6Confident56 Ų5666.9 Ų66.930%0.29939%0.385SS..EExtended strand (participates in β ladder)trans-77.6144.4177.2-168.260.3000111.3N54 D56 E57 C58N54-D73 PolarHBondContact ND2-OD2 3.02Å; D56-D73 WeakPolarHBondContact CA-OD1 3.41Å; E57-D73 PolarHBondContact N-OD1 3.15Å; C58-D73 PolarHBondContact SG-N 3.27Å; C58-D73 VanDerWaalsContact SG-N 3.43Å
74T82.2Confident84.6Confident49 Ų4972 Ų7230%0.30141%0.414SS..EExtended strand (participates in β ladder)trans-132.1158.7174.373.20000108.9N54 T76 S77 Y79N54-T74 PolarHBondContact ND2-O 2.85Å; T74-T76 PolarHBondContact O-N 3.47Å; T74-S77 CarbonylContact C-O 3.58Å; T74-S77 VanDerWaalsContact CA-O 3.27Å; T74-S77 WeakPolarHBondContact CA-O 3.03Å; T74-S77 VanDerWaalsContact CB-O 3.31Å; T74-S77 WeakPolarHBondContact CB-O 3.27Å; T74-S77 PolarHBondContact N-O 2.82Å; T74-S77 PolarHBondContact O-N 2.89Å; T74-S77 VanDerWaalsContact OG1-C 3.32Å; T74-S77 PolarHBondContact OG1-N 3.11Å; T74-S77 PolarHBondContact OG1-O 2.82Å; T74-Y79 HydrophobicContact CG2-CD1 3.76Å; T74-Y79 HydrophobicContact CG2-CE1 3.81Å
75N75.6Confident84.4Confident133 Ų13366.9 Ų66.971%0.71139%0.389SS*.THydrogen-bonded Turntrans-57.2-2.9-178.7-78.23.2000115.9Y46 N54Y46-N75 PolarHBondContact OH-O 3.39Å; Y46-N75 VanDerWaalsContact OH-O 3.04Å; N54-N75 VanDerWaalsContact OD1-C 3.31Å; N54-N75 PolarHBondContact OD1-O 2.97Å
76T71.3Confident84.4Confident95 Ų9569.7 Ų69.758%0.58340%0.397SS*.THydrogen-bonded Turntrans-139-9.1-176.952.40000114.3T74T74-T76 PolarHBondContact O-N 3.47Å
77S78.6Confident84.5Confident45 Ų4570.2 Ų70.232%0.31540%0.4SS..EExtended strand (participates in β ladder)trans-179.5-170.8-174.3-159.70000111E57 T74E57-S77 WeakPolarHBondContact OE2-CA 3.45Å; T74-S77 CarbonylContact C-O 3.58Å; T74-S77 VanDerWaalsContact CA-O 3.27Å; T74-S77 WeakPolarHBondContact CA-O 3.03Å; T74-S77 VanDerWaalsContact CB-O 3.31Å; T74-S77 WeakPolarHBondContact CB-O 3.27Å; T74-S77 PolarHBondContact N-O 2.82Å; T74-S77 PolarHBondContact O-N 2.89Å; T74-S77 VanDerWaalsContact OG1-C 3.32Å; T74-S77 PolarHBondContact OG1-N 3.11Å; T74-S77 PolarHBondContact OG1-O 2.82Å
78Y86.1Confident84.5Confident30 Ų3066.2 Ų66.212%0.11837%0.369CS..EExtended strand (participates in β ladder)trans-119.6166.6169.267-82.5000111.3E57 H63 N64 R72 I89 N90E57-Y78 HydrophobicContact CB-CD1 3.55Å; E57-Y78 HydrophobicContact CB-CE1 4.3Å; E57-Y78 HydrophobicContact CB-CG 4.09Å; E57-Y78 HydrophobicContact CG-CD1 3.82Å; E57-Y78 HydrophobicContact CG-CE1 4.44Å; E57-Y78 PolarHBondContact OE2-N 3.01Å; H63-Y78 HydrophobicContact CB-CD1 4.33Å; H63-Y78 HydrophobicContact CB-CD2 3.61Å; H63-Y78 HydrophobicContact CB-CE1 4.29Å; H63-Y78 HydrophobicContact CB-CE2 3.59Å; H63-Y78 HydrophobicContact CB-CG 4Å; N64-Y78 PolarHBondContact N-OH 3.33Å; R72-Y78 CarbonylContact O-C 3.48Å; R72-Y78 VanDerWaalsContact O-CA 3.27Å; R72-Y78 WeakPolarHBondContact O-CA 3.48Å; Y78-I89 WeakPolarHBondContact O-CG2 3.32Å; Y78-N90 WeakPolarHBondContact CE2-OD1 3.3Å; Y78-N90 PolarHBondContact OH-OD1 3.19Å
79Y87.9Confident84.7Confident92 Ų9267.2 Ų67.236%0.36135%0.354SS..EExtended strand (participates in β ladder)trans-144.2158.8163.470-82.6000111.1R72 T74R72-Y79 HydrophobicContact CB-CD1 4.02Å; R72-Y79 HydrophobicContact CB-CD2 4.5Å; R72-Y79 HydrophobicContact CB-CE1 3.54Å; R72-Y79 HydrophobicContact CB-CE2 4.07Å; R72-Y79 HydrophobicContact CB-CG 4.49Å; R72-Y79 VanDerWaalsContact CD-CZ 3.45Å; R72-Y79 WeakPolarHBondContact CD-OH 3.29Å; R72-Y79 HydrophobicContact CG-CE2 4.42Å; R72-Y79 PolarHBondContact N-O 3.19Å; R72-Y79 PolarHBondContact NH1-OH 2.92Å; R72-Y79 PolarHBondContact O-N 2.81Å; T74-Y79 HydrophobicContact CG2-CD1 3.76Å; T74-Y79 HydrophobicContact CG2-CE1 3.81Å
80C90.3Very high84.6Confident6 Ų663.9 Ų63.94%0.04134%0.344CS..EExtended strand (participates in β ladder)trans-103.8139.9-178.3-49.40000110.7C65 E70 C82 I89 C91C65-C80 WeakPolarHBondContact CA-SG 3.16Å; C65-C80 HydrophobicContact CB-CB 3.71Å; C65-C80 WeakPolarHBondContact CB-SG 3.45Å; C65-C80 WeakPolarHBondContact SG-CB 3.49Å; C65-C80 CovalentContact SG-SG 2.02Å; C65-C80 PolarHBondContact SG-SG 3.01Å; E70-C80 CarbonylContact O-C 3.54Å; E70-C80 WeakPolarHBondContact O-CA 3.43Å; C80-C82 PolarHBondContact O-N 3.14Å; C80-I89 VanDerWaalsContact CB-O 3.29Å; C80-I89 WeakPolarHBondContact CB-O 3.03Å; C80-I89 PolarHBondContact N-O 3.15Å; C80-I89 PolarHBondContact SG-O 3.06Å; C80-C91 VanDerWaalsContact CB-SG 3.58Å
81V89.5Confident84.5Confident50 Ų5059.3 Ų59.330%0.30332%0.324SS..  trans-79.6109.2172.5-177.40000108.9R69 E70 R72R69-V81 WeakPolarHBondContact CB-O 3.42Å; R69-V81 WeakPolarHBondContact CD-O 2.95Å; E70-V81 HydrophobicContact CB-CB 4.05Å; E70-V81 HydrophobicContact CB-CG2 3.95Å; E70-V81 HydrophobicContact CG-CG2 4.29Å; E70-V81 PolarHBondContact O-N 3.44Å; R72-V81 HydrophobicContact CG-CG2 4.28Å
82C87.5Confident84.3Confident37 Ų3762.8 Ų62.825%0.2534%0.344CS..PPolyproline II helixtrans-78.7156.4-173-53.60000113.4C80 R86 G88 C91C80-C82 PolarHBondContact O-N 3.14Å; C82-R86 HydrophobicContact CB-CB 4.12Å; C82-R86 WeakPolarHBondContact CB-O 3.37Å; C82-G88 PolarHBondContact SG-O 2.04Å; C82-C91 WeakPolarHBondContact CA-SG 3.41Å; C82-C91 HydrophobicContact CB-CB 3.71Å; C82-C91 WeakPolarHBondContact CB-SG 3.13Å; C82-C91 PolarHBondContact N-SG 3.21Å; C82-C91 VanDerWaalsContact N-SG 3.44Å; C82-C91 WeakPolarHBondContact SG-CA 3.05Å; C82-C91 WeakPolarHBondContact SG-CB 3.21Å; C82-C91 CovalentContact SG-SG 2.04Å; C82-C91 PolarHBondContact SG-SG 3.43Å
83A83.2Confident84.2Confident27 Ų2763.1 Ų63.122%0.22335%0.35CS..PPolyproline II helixtrans-70.8159.8167.200000110R69 G85 R86R69-A83 VanDerWaalsContact NH1-CB 3.28Å; A83-G85 PolarHBondContact O-N 2.02Å; A83-R86 PolarHBondContact O-N 2.82Å; A83-R86 VanDerWaalsContact O-N 3.09Å
84D83.2Confident84.4Confident167 Ų16762.8 Ų62.889%0.89335%0.349SS*.THydrogen-bonded Turntrans-52133.8162.9-58.7-25.6000109.5
85G81.6Confident84.6Confident10 Ų1061.4 Ų61.410%0.10334%0.34CS..THydrogen-bonded Turntrans87.24.8-175.500000115.5A83 V95A83-G85 PolarHBondContact O-N 2.02Å; G85-V95 PolarHBondContact O-N 2.74Å
86R87.6Confident85.2Confident77 Ų7757.6 Ų57.629%0.29132%0.319SS..EExtended strand (participates in β ladder)trans-133.3145.1178.3-64.7-69.8-176.7-174.3-11.9112.6C82 A83 C91 E93 N115C82-R86 HydrophobicContact CB-CB 4.12Å; C82-R86 WeakPolarHBondContact CB-O 3.37Å; A83-R86 PolarHBondContact O-N 2.82Å; A83-R86 VanDerWaalsContact O-N 3.09Å; R86-C91 HydrophobicContact CB-CB 4.39Å; R86-E93 CarbonylContact C-O 3.57Å; R86-E93 VanDerWaalsContact CA-O 3.3Å; R86-E93 WeakPolarHBondContact CA-O 3Å; R86-E93 WeakPolarHBondContact CD-O 3.3Å; R86-N115 PolarHBondContact NH1-OD1 3.46Å; R86-N115 PolarHBondContact NH2-OD1 3.01Å
87T85.7Confident86.1Confident63 Ų6353.9 Ų53.939%0.38730%0.295SS..EExtended strand (participates in β ladder)trans-138.2178.3178-165.90000112.4C91 T92 E93 V95T87-C91 CarbonylContact O-C 3.11Å; T87-C91 WeakPolarHBondContact O-CA 3.42Å; T87-T92 PolarHBondContact O-N 3.36Å; T87-E93 HydrophobicContact CG2-CB 3.53Å; T87-E93 PolarHBondContact N-O 3Å; T87-E93 WeakPolarHBondContact O-CB 3.42Å; T87-E93 PolarHBondContact O-N 2.83Å; T87-V95 HydrophobicContact CG2-CG2 4.3Å
88G84.4Confident86.5Confident22 Ų2253.4 Ų53.423%0.22729%0.292CS..SBendtrans89.6163.9-177.900000113.9C82 N90 C91C82-G88 PolarHBondContact SG-O 2.04Å; G88-N90 PolarHBondContact O-N 3.44Å; G88-C91 PolarHBondContact O-N 3.34Å
89I84.5Confident86.6Confident103 Ų10360.1 Ų60.153%0.52832%0.324SS..THydrogen-bonded Turntrans-57-37.2-174.9-62.9171.5000111.8Y78 C80Y78-I89 WeakPolarHBondContact O-CG2 3.32Å; C80-I89 VanDerWaalsContact CB-O 3.29Å; C80-I89 WeakPolarHBondContact CB-O 3.03Å; C80-I89 PolarHBondContact N-O 3.15Å; C80-I89 PolarHBondContact SG-O 3.06Å
90N84.9Confident86.5Confident42 Ų4261.7 Ų61.723%0.22534%0.335CS..THydrogen-bonded Turntrans-105.313.1179.2-63-33.7000113.2P66 Y78 G88 T92P66-N90 VanDerWaalsContact CD-O 3.3Å; P66-N90 WeakPolarHBondContact CD-O 3.18Å; P66-N90 WeakPolarHBondContact CG-O 3.2Å; Y78-N90 WeakPolarHBondContact CE2-OD1 3.3Å; Y78-N90 PolarHBondContact OH-OD1 3.19Å; G88-N90 PolarHBondContact O-N 3.44Å; N90-T92 HydrophobicContact CB-CG2 4.11Å; N90-T92 PolarHBondContact O-N 3.09Å; N90-T92 VanDerWaalsContact O-N 3.15Å
91C87.4Confident86.1Confident8 Ų863.9 Ų63.95%0.05436%0.358CS..SBendtrans55.230.3-179.1-51.60000114.8P66 C80 C82 R86 T87 G88P66-C91 HydrophobicContact CG-CB 3.98Å; C80-C91 VanDerWaalsContact CB-SG 3.58Å; C82-C91 WeakPolarHBondContact CA-SG 3.41Å; C82-C91 HydrophobicContact CB-CB 3.71Å; C82-C91 WeakPolarHBondContact CB-SG 3.13Å; C82-C91 PolarHBondContact N-SG 3.21Å; C82-C91 VanDerWaalsContact N-SG 3.44Å; C82-C91 WeakPolarHBondContact SG-CA 3.05Å; C82-C91 WeakPolarHBondContact SG-CB 3.21Å; C82-C91 CovalentContact SG-SG 2.04Å; C82-C91 PolarHBondContact SG-SG 3.43Å; R86-C91 HydrophobicContact CB-CB 4.39Å; T87-C91 CarbonylContact O-C 3.11Å; T87-C91 WeakPolarHBondContact O-CA 3.42Å; G88-C91 PolarHBondContact O-N 3.34Å
92T85.7Confident85.8Confident100 Ų10065.2 Ų65.261%0.61337%0.367SS*.  trans-91.9-17.1-178.248.30000113.1T87 N90T87-T92 PolarHBondContact O-N 3.36Å; N90-T92 HydrophobicContact CB-CG2 4.11Å; N90-T92 PolarHBondContact O-N 3.09Å; N90-T92 VanDerWaalsContact O-N 3.15Å
93E86.9Confident85.6Confident114 Ų11468.1 Ų68.153%0.53337%0.373SS..EExtended strand (participates in β ladder)trans-88142.4-178.5-62.9169.1-172.700109.1R86 T87R86-E93 CarbonylContact C-O 3.57Å; R86-E93 VanDerWaalsContact CA-O 3.3Å; R86-E93 WeakPolarHBondContact CA-O 3Å; R86-E93 WeakPolarHBondContact CD-O 3.3Å; T87-E93 HydrophobicContact CG2-CB 3.53Å; T87-E93 PolarHBondContact N-O 3Å; T87-E93 WeakPolarHBondContact O-CB 3.42Å; T87-E93 PolarHBondContact O-N 2.83Å
94D88.8Confident85.7Confident49 Ų4973.2 Ų73.226%0.26239%0.392SS..EExtended strand (participates in β ladder)trans-83.5142176.3-17153.8000109.7N113 G116D94-N113 PolarHBondContact OD2-ND2 2.75Å; D94-G116 WeakPolarHBondContact OD1-CA 3.36Å; D94-G116 PolarHBondContact OD1-N 3.4Å
95V86.3Confident85.8Confident20 Ų2066.4 Ų66.412%0.12136%0.357CS..PPolyproline II helixtrans-86.2119.8169.5174.30000107.2G85 T87 E97 E100G85-V95 PolarHBondContact O-N 2.74Å; T87-V95 HydrophobicContact CG2-CG2 4.3Å; V95-E97 HydrophobicContact CG1-CG 4.22Å; V95-E97 PolarHBondContact O-N 2.92Å; V95-E97 VanDerWaalsContact O-N 3.09Å; V95-E100 WeakPolarHBondContact CG1-OE2 3.45Å
96D88.7Confident85.9Confident52 Ų5267.1 Ų67.128%0.27836%0.361SS..  trans-79.491.6171.7-166.4-39.6000109.4C98 E99 E100 N113D96-C98 PolarHBondContact O-N 3.03Å; D96-C98 WeakPolarHBondContact OD1-CA 3.48Å; D96-C98 WeakPolarHBondContact OD1-CB 3.46Å; D96-C98 PolarHBondContact OD1-N 3.45Å; D96-E99 HydrophobicContact CB-CB 3.94Å; D96-E99 PolarHBondContact O-N 3.38Å; D96-E99 PolarHBondContact OD1-N 3.05Å; D96-E100 PolarHBondContact O-N 3.23Å; D96-N113 WeakPolarHBondContact CA-ND2 3.12Å; D96-N113 PolarHBondContact OD2-ND2 2.94Å
97E89.1Confident85.7Confident17 Ų1770.6 Ų70.68%0.07938%0.384CS..Hα-helixtrans-64.4-26.6-177.8-60.395.6167.100112.1V95 G101 T102 Y103 N113 Y118V95-E97 HydrophobicContact CG1-CG 4.22Å; V95-E97 PolarHBondContact O-N 2.92Å; V95-E97 VanDerWaalsContact O-N 3.09Å; E97-G101 WeakPolarHBondContact O-CA 3.32Å; E97-G101 PolarHBondContact O-N 3.19Å; E97-T102 WeakPolarHBondContact CA-OG1 3.36Å; E97-T102 WeakPolarHBondContact CB-OG1 3.5Å; E97-T102 WeakPolarHBondContact CG-OG1 3.43Å; E97-T102 PolarHBondContact O-N 3.09Å; E97-Y103 WeakPolarHBondContact O-CD1 3.34Å; E97-N113 PolarHBondContact OE2-OD1 2.91Å; E97-Y118 HydrophobicContact CB-CD1 3.83Å; E97-Y118 HydrophobicContact CB-CG 4.35Å; E97-Y118 HydrophobicContact CG-CD1 3.95Å
98C88.2Confident85.4Confident36 Ų3670.4 Ų70.424%0.24338%0.378CS..Hα-helixtrans-72.9-33177.7-57.50000112.1D96 C111 K112 N113D96-C98 PolarHBondContact O-N 3.03Å; D96-C98 WeakPolarHBondContact OD1-CA 3.48Å; D96-C98 WeakPolarHBondContact OD1-CB 3.46Å; D96-C98 PolarHBondContact OD1-N 3.45Å; C98-C111 HydrophobicContact CB-CB 3.96Å; C98-C111 WeakPolarHBondContact CB-SG 3.39Å; C98-C111 WeakPolarHBondContact SG-CB 3.47Å; C98-C111 CovalentContact SG-SG 2.05Å; C98-C111 PolarHBondContact SG-SG 2.73Å; C98-K112 VanDerWaalsContact SG-C 3.53Å; C98-N113 PolarHBondContact SG-N 3.17Å
99E87.3Confident85.5Confident170 Ų17070.1 Ų70.179%0.79437%0.373SS*.Hα-helixtrans-79.8-40174.4-166.4177-178.500111.9D96 G101D96-E99 HydrophobicContact CB-CB 3.94Å; D96-E99 PolarHBondContact O-N 3.38Å; D96-E99 PolarHBondContact OD1-N 3.05Å; E99-G101 VanDerWaalsContact C-N 3.29Å; E99-G101 PolarHBondContact O-N 2.99Å
100E84.7Confident85.6Confident126 Ų12669.7 Ų69.759%0.58937%0.371SS*.Hα-helixtrans-74.9-17.2177.6-68.2-166.3175.800113.5V95 D96 T102V95-E100 WeakPolarHBondContact CG1-OE2 3.45Å; D96-E100 PolarHBondContact O-N 3.23Å; E100-T102 VanDerWaalsContact C-N 3.35Å; E100-T102 HydrophobicContact CB-CG2 4.08Å
101G82.6Confident85.8Confident51 Ų5169 Ų6953%0.52637%0.369SS..THydrogen-bonded Turntrans7424.6-177.900000113.8E97 E99E97-G101 WeakPolarHBondContact O-CA 3.32Å; E97-G101 PolarHBondContact O-N 3.19Å; E99-G101 VanDerWaalsContact C-N 3.29Å; E99-G101 PolarHBondContact O-N 2.99Å
102T83.5Confident85.9Confident79 Ų7973.6 Ų73.649%0.48539%0.388SS..  trans-93.86-179.153.50000113.2E97 E100E97-T102 WeakPolarHBondContact CA-OG1 3.36Å; E97-T102 WeakPolarHBondContact CB-OG1 3.5Å; E97-T102 WeakPolarHBondContact CG-OG1 3.43Å; E97-T102 PolarHBondContact O-N 3.09Å; E100-T102 VanDerWaalsContact C-N 3.35Å; E100-T102 HydrophobicContact CB-CG2 4.08Å
103Y82.9Confident86Confident97 Ų9771.2 Ų71.238%0.3837%0.372SS..  trans-80147.9178.267.5-88.1000113.5E97 C105 C111E97-Y103 WeakPolarHBondContact O-CD1 3.34Å; Y103-C105 HydrophobicContact CD2-CB 3.57Å; Y103-C105 HydrophobicContact CE2-CB 3.9Å; Y103-C111 HydrophobicContact CD1-CB 4.4Å; Y103-C111 HydrophobicContact CD2-CB 4.02Å; Y103-C111 HydrophobicContact CE1-CB 4.49Å; Y103-C111 HydrophobicContact CE2-CB 4.15Å; Y103-C111 HydrophobicContact CG-CB 4.16Å
104E85.3Confident85.9Confident134 Ų13468.7 Ų68.763%0.62636%0.364SS*.  trans-105.761.2176-60.5-177.4164.100111.1Y118 H130E104-Y118 WeakPolarHBondContact CB-OH 3.18Å; E104-Y118 VanDerWaalsContact N-CZ 3.32Å; E104-Y118 PolarHBondContact N-OH 2.89Å; E104-H130 PolarHBondContact O-ND1 2.65Å; E104-H130 IonicContact OE2-CE1 3.74Å
105C85.7Confident85.8Confident24 Ų2472.2 Ų72.216%0.16238%0.383CS..  trans-102141.3176.9-62.90000110.9Y103 S109 C120Y103-C105 HydrophobicContact CD2-CB 3.57Å; Y103-C105 HydrophobicContact CE2-CB 3.9Å; C105-S109 WeakPolarHBondContact CB-OG 3.39Å; C105-C120 WeakPolarHBondContact CA-SG 3.36Å; C105-C120 HydrophobicContact CB-CB 3.85Å; C105-C120 WeakPolarHBondContact CB-SG 3.13Å; C105-C120 VanDerWaalsContact SG-CA 3.57Å; C105-C120 WeakPolarHBondContact SG-CB 3.49Å; C105-C120 CovalentContact SG-SG 2.03Å; C105-C120 PolarHBondContact SG-SG 2.84Å
106S83.1Confident85.5Confident25 Ų2572.6 Ų72.618%0.17539%0.391CS..  trans-60.7156.6169.9170.40000111.1H108 S109 H130 C131S106-H108 PolarHBondContact O-N 2.78Å; S106-H108 PolarHBondContact OG-N 2.05Å; S106-H108 PolarHBondContact OG-ND1 3.19Å; S106-H108 VanDerWaalsContact OG-ND1 3.1Å; S106-S109 PolarHBondContact O-N 2.65Å; S106-S109 VanDerWaalsContact O-N 3.15Å; S106-S109 PolarHBondContact O-OG 2.99Å; S106-H130 WeakPolarHBondContact CB-O 3.48Å; S106-H130 PolarHBondContact N-O 3.15Å; S106-C131 WeakPolarHBondContact CB-O 3.43Å; S106-C131 PolarHBondContact OG-O 2.03Å
107I83.9Confident85.4Confident151 Ų15172.9 Ų72.977%0.77440%0.397SS*.THydrogen-bonded Turntrans-57.5-17.917165.7172.8000112.8S109I107-S109 PolarHBondContact O-N 2.8Å
108H80.5Confident85.4Confident58 Ų5874.5 Ų74.527%0.26940%0.402SS..THydrogen-bonded Turntrans-90.829179.2-51.7102.1000112.6S106 H123 F126S106-H108 PolarHBondContact O-N 2.78Å; S106-H108 PolarHBondContact OG-N 2.05Å; S106-H108 PolarHBondContact OG-ND1 3.19Å; S106-H108 VanDerWaalsContact OG-ND1 3.1Å; H108-H123 WeakPolarHBondContact O-CB 3.14Å; H108-H123 PolarHBondContact O-N 3.25Å; H108-F126 HydrophobicContact CB-CB 4.39Å; H108-F126 HydrophobicContact CB-CD1 3.83Å; H108-F126 HydrophobicContact CB-CD2 3.64Å; H108-F126 HydrophobicContact CB-CE1 3.92Å; H108-F126 HydrophobicContact CB-CE2 3.74Å; H108-F126 HydrophobicContact CB-CG 3.67Å; H108-F126 HydrophobicContact CB-CZ 3.87Å; H108-F126 AromaticContact CD2-CE1 3.81Å; H108-F126 AromaticContact CD2-CE2 3.36Å; H108-F126 WeakPolarHBondContact CD2-CE2 3.25Å; H108-F126 AromaticContact CD2-CZ 3.12Å; H108-F126 WeakPolarHBondContact CD2-CZ 2.92Å; H108-F126 AromaticContact CE1-CE1 3.75Å; H108-F126 AromaticContact CE1-CZ 3.65Å; H108-F126 AromaticContact CG-CD1 3.9Å; H108-F126 AromaticContact CG-CD2 3.98Å; H108-F126 AromaticContact CG-CE1 3.45Å; H108-F126 VanDerWaalsContact CG-CE1 3.45Å; H108-F126 AromaticContact CG-CE2 3.55Å; H108-F126 AromaticContact CG-CZ 3.25Å; H108-F126 AromaticContact ND1-CE1 3.44Å; H108-F126 WeakPolarHBondContact ND1-CE1 3.18Å; H108-F126 AromaticContact ND1-CZ 3.6Å; H108-F126 AromaticContact NE2-CE1 3.99Å; H108-F126 AromaticContact NE2-CZ 3.39Å; H108-F126 WeakPolarHBondContact NE2-CZ 3.35Å
109S85.2Confident85.4Confident16 Ų1678.9 Ų78.911%0.11242%0.417CS..EExtended strand (participates in β ladder)trans-153.3161.9-179.859.60000113.3C105 S106 I107 D121 C131C105-S109 WeakPolarHBondContact CB-OG 3.39Å; S106-S109 PolarHBondContact O-N 2.65Å; S106-S109 VanDerWaalsContact O-N 3.15Å; S106-S109 PolarHBondContact O-OG 2.99Å; I107-S109 PolarHBondContact O-N 2.8Å; S109-D121 CarbonylContact C-O 3.58Å; S109-D121 WeakPolarHBondContact CA-O 3.08Å; S109-D121 VanDerWaalsContact CB-O 3.29Å; S109-D121 WeakPolarHBondContact CB-O 3.05Å; S109-C131 WeakPolarHBondContact CB-SG 3.45Å
110I87.7Confident85.6Confident94 Ų9471.4 Ų71.448%0.48238%0.384SS..EExtended strand (participates in β ladder)trans-109.5120.9177.8-57.3174000107.9D121I110-D121 HydrophobicContact CB-CB 4.37Å; I110-D121 PolarHBondContact N-O 3.24Å; I110-D121 PolarHBondContact O-N 2.64Å
111C89.2Confident85.7Confident28 Ų2868.5 Ų68.519%0.18937%0.372CS..EExtended strand (participates in β ladder)trans-68.8134.2175-172.20000110.3C98 Y103C98-C111 HydrophobicContact CB-CB 3.96Å; C98-C111 WeakPolarHBondContact CB-SG 3.39Å; C98-C111 WeakPolarHBondContact SG-CB 3.47Å; C98-C111 CovalentContact SG-SG 2.05Å; C98-C111 PolarHBondContact SG-SG 2.73Å; Y103-C111 HydrophobicContact CD1-CB 4.4Å; Y103-C111 HydrophobicContact CD2-CB 4.02Å; Y103-C111 HydrophobicContact CE1-CB 4.49Å; Y103-C111 HydrophobicContact CE2-CB 4.15Å; Y103-C111 HydrophobicContact CG-CB 4.16Å
112K89.5Confident85.9Confident105 Ų10568 Ų6846%0.45736%0.361SS..EExtended strand (participates in β ladder)trans-126.8115.1171.3-72.6-179.8173.21660108.9C98 Y118 K119 D121C98-K112 VanDerWaalsContact SG-C 3.53Å; K112-Y118 CarbonylContact O-C 3.51Å; K112-Y118 WeakPolarHBondContact O-CA 3.44Å; K112-K119 PolarHBondContact N-O 3.1Å; K112-K119 PolarHBondContact O-N 3.15Å; K112-D121 HydrophobicContact CD-CB 4.46Å; K112-D121 IonicContact NZ-OD2 3.79Å; K112-D121 PolarHBondContact NZ-OD2 3.37Å
113N86.8Confident85.9Confident50 Ų5068.2 Ų68.227%0.26736%0.356SS..EExtended strand (participates in β ladder)trans-65.5141.4175.4-174.230.5000110.1D94 D96 E97 C98 S117D94-N113 PolarHBondContact OD2-ND2 2.75Å; D96-N113 WeakPolarHBondContact CA-ND2 3.12Å; D96-N113 PolarHBondContact OD2-ND2 2.94Å; E97-N113 PolarHBondContact OE2-OD1 2.91Å; C98-N113 PolarHBondContact SG-N 3.17Å; N113-S117 PolarHBondContact OD1-O 3Å
114T86Confident85.7Confident60 Ų6069.2 Ų69.237%0.36838%0.377SS..EExtended strand (participates in β ladder)trans-134.2148.4177.759.30000109G116 S117 K119T114-G116 PolarHBondContact O-N 2.03Å; T114-S117 CarbonylContact C-O 3.59Å; T114-S117 VanDerWaalsContact C-O 3.26Å; T114-S117 VanDerWaalsContact CA-O 3.25Å; T114-S117 WeakPolarHBondContact CA-O 3.04Å; T114-S117 WeakPolarHBondContact CB-O 3.26Å; T114-S117 PolarHBondContact N-O 2.84Å; T114-S117 CarbonylContact O-C 3.55Å; T114-S117 PolarHBondContact O-N 2.81Å; T114-S117 PolarHBondContact OG1-O 3.2Å; T114-K119 HydrophobicContact CG2-CB 4.35Å
115N85.7Confident85Confident124 Ų12463 Ų6366%0.66335%0.348SS*.THydrogen-bonded Turntrans-61.4105.1-176.3-171.77000111.8R86R86-N115 PolarHBondContact NH1-OD1 3.46Å; R86-N115 PolarHBondContact NH2-OD1 3.01Å
116G80.8Confident84.6Confident28 Ų2862.8 Ų62.829%0.28935%0.345SS..THydrogen-bonded Turntrans93.16.2-175.800000116.2D94 T114D94-G116 WeakPolarHBondContact OD1-CA 3.36Å; D94-G116 PolarHBondContact OD1-N 3.4Å; T114-G116 PolarHBondContact O-N 2.03Å
117S86.1Confident84.4Confident57 Ų5764.7 Ų64.740%0.39936%0.356SS..EExtended strand (participates in β ladder)trans-173.5-173.6178.6-1560000113.3N113 T114N113-S117 PolarHBondContact OD1-O 3Å; T114-S117 CarbonylContact C-O 3.59Å; T114-S117 VanDerWaalsContact C-O 3.26Å; T114-S117 VanDerWaalsContact CA-O 3.25Å; T114-S117 WeakPolarHBondContact CA-O 3.04Å; T114-S117 WeakPolarHBondContact CB-O 3.26Å; T114-S117 PolarHBondContact N-O 2.84Å; T114-S117 CarbonylContact O-C 3.55Å; T114-S117 PolarHBondContact O-N 2.81Å; T114-S117 PolarHBondContact OG1-O 3.2Å
118Y88.4Confident84.1Confident51 Ų5158.9 Ų58.920%0.233%0.333CS..EExtended strand (participates in β ladder)trans-126161.8171.264.3-84.6000112.5E97 E104 K112E97-Y118 HydrophobicContact CB-CD1 3.83Å; E97-Y118 HydrophobicContact CB-CG 4.35Å; E97-Y118 HydrophobicContact CG-CD1 3.95Å; E104-Y118 WeakPolarHBondContact CB-OH 3.18Å; E104-Y118 VanDerWaalsContact N-CZ 3.32Å; E104-Y118 PolarHBondContact N-OH 2.89Å; K112-Y118 CarbonylContact O-C 3.51Å; K112-Y118 WeakPolarHBondContact O-CA 3.44Å
119K88.9Confident84.1Confident128 Ų12864.2 Ų64.256%0.55736%0.355SS*.EExtended strand (participates in β ladder)trans-126.9131.5174.7179178.8175.9-178.10110.9K112 T114K112-K119 PolarHBondContact N-O 3.1Å; K112-K119 PolarHBondContact O-N 3.15Å; T114-K119 HydrophobicContact CG2-CB 4.35Å
120C90.4Very high84Confident14 Ų1466 Ų6610%0.09536%0.362CS..EExtended strand (participates in β ladder)trans-87.8122.1171-46.80000110.3C105C105-C120 WeakPolarHBondContact CA-SG 3.36Å; C105-C120 HydrophobicContact CB-CB 3.85Å; C105-C120 WeakPolarHBondContact CB-SG 3.13Å; C105-C120 VanDerWaalsContact SG-CA 3.57Å; C105-C120 WeakPolarHBondContact SG-CB 3.49Å; C105-C120 CovalentContact SG-SG 2.03Å; C105-C120 PolarHBondContact SG-SG 2.84Å
121D88.1Confident83.9Confident65 Ų6561.5 Ų61.535%0.34834%0.339SS..EExtended strand (participates in β ladder)trans-96.2107.6174.3-1584.3000109.3S109 I110 K112S109-D121 CarbonylContact C-O 3.58Å; S109-D121 WeakPolarHBondContact CA-O 3.08Å; S109-D121 VanDerWaalsContact CB-O 3.29Å; S109-D121 WeakPolarHBondContact CB-O 3.05Å; I110-D121 HydrophobicContact CB-CB 4.37Å; I110-D121 PolarHBondContact N-O 3.24Å; I110-D121 PolarHBondContact O-N 2.64Å; K112-D121 HydrophobicContact CD-CB 4.46Å; K112-D121 IonicContact NZ-OD2 3.79Å; K112-D121 PolarHBondContact NZ-OD2 3.37Å
122C86.2Confident83.4Confident41 Ų4164.5 Ų64.528%0.27736%0.356SS..EExtended strand (participates in β ladder)trans-72.6136.5-170.4-51.60000112.4F126 C131C122-F126 HydrophobicContact CB-CB 4.28Å; C122-F126 WeakPolarHBondContact CB-O 3.29Å; C122-C131 WeakPolarHBondContact CA-SG 3.37Å; C122-C131 HydrophobicContact CB-CB 3.65Å; C122-C131 WeakPolarHBondContact CB-SG 3.34Å; C122-C131 PolarHBondContact N-SG 3.04Å; C122-C131 VanDerWaalsContact SG-CA 3.56Å; C122-C131 WeakPolarHBondContact SG-CB 3.18Å; C122-C131 CovalentContact SG-SG 2.03Å; C122-C131 PolarHBondContact SG-SG 3.11Å
123H84.2Confident82.7Confident83 Ų8365.1 Ų65.138%0.38436%0.361SS..PPolyproline II helixtrans-62.8155.7167.5-67.3162.2000111.2H108 G125 F126H108-H123 WeakPolarHBondContact O-CB 3.14Å; H108-H123 PolarHBondContact O-N 3.25Å; H123-G125 PolarHBondContact O-N 2.84Å; H123-F126 PolarHBondContact O-N 2.87Å; H123-F126 VanDerWaalsContact O-N 3.11Å
124S78.7Confident82Confident117 Ų11767.7 Ų67.782%0.81837%0.37SS*.THydrogen-bonded Turntrans-54127.8177-55.40000111.5
125G69.7Low81.4Confident3 Ų367.3 Ų67.33%0.03137%0.365CS..THydrogen-bonded Turntrans101.9-9.3-177.100000114.8H123 F134 I135 N155H123-G125 PolarHBondContact O-N 2.84Å; G125-F134 WeakPolarHBondContact O-CA 3.34Å; G125-I135 PolarHBondContact O-N 3.46Å; G125-N155 WeakPolarHBondContact CA-OD1 3.04Å
126F78.1Confident80.9Confident20 Ų2064.4 Ų64.49%0.08835%0.35CS..EExtended strand (participates in β ladder)trans-117.4149.9-179.9-65.7-94.1000112.8H108 C122 H123 C131 E133 F134H108-F126 HydrophobicContact CB-CB 4.39Å; H108-F126 HydrophobicContact CB-CD1 3.83Å; H108-F126 HydrophobicContact CB-CD2 3.64Å; H108-F126 HydrophobicContact CB-CE1 3.92Å; H108-F126 HydrophobicContact CB-CE2 3.74Å; H108-F126 HydrophobicContact CB-CG 3.67Å; H108-F126 HydrophobicContact CB-CZ 3.87Å; H108-F126 AromaticContact CD2-CE1 3.81Å; H108-F126 AromaticContact CD2-CE2 3.36Å; H108-F126 WeakPolarHBondContact CD2-CE2 3.25Å; H108-F126 AromaticContact CD2-CZ 3.12Å; H108-F126 WeakPolarHBondContact CD2-CZ 2.92Å; H108-F126 AromaticContact CE1-CE1 3.75Å; H108-F126 AromaticContact CE1-CZ 3.65Å; H108-F126 AromaticContact CG-CD1 3.9Å; H108-F126 AromaticContact CG-CD2 3.98Å; H108-F126 AromaticContact CG-CE1 3.45Å; H108-F126 VanDerWaalsContact CG-CE1 3.45Å; H108-F126 AromaticContact CG-CE2 3.55Å; H108-F126 AromaticContact CG-CZ 3.25Å; H108-F126 AromaticContact ND1-CE1 3.44Å; H108-F126 WeakPolarHBondContact ND1-CE1 3.18Å; H108-F126 AromaticContact ND1-CZ 3.6Å; H108-F126 AromaticContact NE2-CE1 3.99Å; H108-F126 AromaticContact NE2-CZ 3.39Å; H108-F126 WeakPolarHBondContact NE2-CZ 3.35Å; C122-F126 HydrophobicContact CB-CB 4.28Å; C122-F126 WeakPolarHBondContact CB-O 3.29Å; H123-F126 PolarHBondContact O-N 2.87Å; H123-F126 VanDerWaalsContact O-N 3.11Å; F126-C131 HydrophobicContact CB-CB 4.45Å; F126-E133 CarbonylContact C-O 3.37Å; F126-E133 WeakPolarHBondContact CA-O 3.03Å; F126-F134 HydrophobicContact CD1-CD1 4.1Å; F126-F134 HydrophobicContact CD1-CE1 4.08Å; F126-F134 AromaticContact CE1-CD1 3.67Å; F126-F134 HydrophobicContact CE1-CD1 3.67Å; F126-F134 AromaticContact CE1-CE1 3.2Å; F126-F134 HydrophobicContact CE1-CE1 3.2Å; F126-F134 HydrophobicContact CE1-CE2 4.45Å; F126-F134 HydrophobicContact CE1-CG 4.48Å; F126-F134 AromaticContact CE1-CZ 3.65Å; F126-F134 HydrophobicContact CE1-CZ 3.65Å; F126-F134 HydrophobicContact CE2-CD1 4.46Å; F126-F134 HydrophobicContact CE2-CE1 4.06Å; F126-F134 AromaticContact CZ-CD1 3.89Å; F126-F134 HydrophobicContact CZ-CD1 3.89Å; F126-F134 AromaticContact CZ-CE1 3.19Å; F126-F134 HydrophobicContact CZ-CE1 3.19Å; F126-F134 AromaticContact CZ-CZ 3.88Å; F126-F134 HydrophobicContact CZ-CZ 3.88Å
127T78.1Confident80.7Confident66 Ų6665.4 Ų65.441%0.40535%0.345SS..EExtended strand (participates in β ladder)trans-142.1175178.9-1680000110.8C131 T132 E133T127-C131 CarbonylContact O-C 3.53Å; T127-C131 WeakPolarHBondContact O-CA 3.44Å; T127-T132 PolarHBondContact O-N 2.97Å; T127-E133 HydrophobicContact CG2-CB 3.72Å; T127-E133 PolarHBondContact N-O 3.3Å; T127-E133 PolarHBondContact O-N 3.28Å; T127-E133 VanDerWaalsContact O-N 3.15Å
128G78Confident80.6Confident29 Ų2963.5 Ų63.530%0.29933%0.332SS..SBendtrans94.4163-177.800000113.9H130 C131G128-H130 PolarHBondContact O-N 2.7Å; G128-C131 PolarHBondContact O-N 3.07Å; G128-C131 VanDerWaalsContact O-N 3.07Å
129K79.7Confident80.1Confident170 Ų17066.4 Ų66.474%0.73935%0.354SS*.THydrogen-bonded Turntrans-56.6-35.6-175.8-175.4-177.4175.5-166.90113.1
130H84.2Confident79.5Confident53 Ų5365.2 Ų65.225%0.24535%0.353CS..THydrogen-bonded Turntrans-108.79.1-179-56.3-81000112.3E104 S106 G128 T132E104-H130 PolarHBondContact O-ND1 2.65Å; E104-H130 IonicContact OE2-CE1 3.74Å; S106-H130 WeakPolarHBondContact CB-O 3.48Å; S106-H130 PolarHBondContact N-O 3.15Å; G128-H130 PolarHBondContact O-N 2.7Å; H130-T132 HydrophobicContact CB-CG2 4.17Å; H130-T132 PolarHBondContact O-N 3.36Å
131C84.1Confident78.9Confident0 Ų071.8 Ų71.80%038%0.377CS..SBendtrans55.943.8179.6-49.30000114S106 S109 C122 F126 T127 G128S106-C131 WeakPolarHBondContact CB-O 3.43Å; S106-C131 PolarHBondContact OG-O 2.03Å; S109-C131 WeakPolarHBondContact CB-SG 3.45Å; C122-C131 WeakPolarHBondContact CA-SG 3.37Å; C122-C131 HydrophobicContact CB-CB 3.65Å; C122-C131 WeakPolarHBondContact CB-SG 3.34Å; C122-C131 PolarHBondContact N-SG 3.04Å; C122-C131 VanDerWaalsContact SG-CA 3.56Å; C122-C131 WeakPolarHBondContact SG-CB 3.18Å; C122-C131 CovalentContact SG-SG 2.03Å; C122-C131 PolarHBondContact SG-SG 3.11Å; F126-C131 HydrophobicContact CB-CB 4.45Å; T127-C131 CarbonylContact O-C 3.53Å; T127-C131 WeakPolarHBondContact O-CA 3.44Å; G128-C131 PolarHBondContact O-N 3.07Å; G128-C131 VanDerWaalsContact O-N 3.07Å
132T79.7Confident78.7Confident90 Ų9074.1 Ų74.155%0.55239%0.393SS*.  trans-102.6-14.2-177.8490000113.6T127 H130T127-T132 PolarHBondContact O-N 2.97Å; H130-T132 HydrophobicContact CB-CG2 4.17Å; H130-T132 PolarHBondContact O-N 3.36Å
133E74.7Confident78.7Confident118 Ų11872.8 Ų72.855%0.55138%0.384SS*.EExtended strand (participates in β ladder)trans-101145.6-176.6-63.6174.8179.700110.4F126 T127F126-E133 CarbonylContact C-O 3.37Å; F126-E133 WeakPolarHBondContact CA-O 3.03Å; T127-E133 HydrophobicContact CG2-CB 3.72Å; T127-E133 PolarHBondContact N-O 3.3Å; T127-E133 PolarHBondContact O-N 3.28Å; T127-E133 VanDerWaalsContact O-N 3.15Å
134F72.3Confident79Confident104 Ų10469.9 Ų69.946%0.45637%0.373SS..EExtended strand (participates in β ladder)trans-85.9150.2172.3-65.7-77.8000111G125 F126 D136 Q154G125-F134 WeakPolarHBondContact O-CA 3.34Å; F126-F134 HydrophobicContact CD1-CD1 4.1Å; F126-F134 HydrophobicContact CD1-CE1 4.08Å; F126-F134 AromaticContact CE1-CD1 3.67Å; F126-F134 HydrophobicContact CE1-CD1 3.67Å; F126-F134 AromaticContact CE1-CE1 3.2Å; F126-F134 HydrophobicContact CE1-CE1 3.2Å; F126-F134 HydrophobicContact CE1-CE2 4.45Å; F126-F134 HydrophobicContact CE1-CG 4.48Å; F126-F134 AromaticContact CE1-CZ 3.65Å; F126-F134 HydrophobicContact CE1-CZ 3.65Å; F126-F134 HydrophobicContact CE2-CD1 4.46Å; F126-F134 HydrophobicContact CE2-CE1 4.06Å; F126-F134 AromaticContact CZ-CD1 3.89Å; F126-F134 HydrophobicContact CZ-CD1 3.89Å; F126-F134 AromaticContact CZ-CE1 3.19Å; F126-F134 HydrophobicContact CZ-CE1 3.19Å; F126-F134 AromaticContact CZ-CZ 3.88Å; F126-F134 HydrophobicContact CZ-CZ 3.88Å; F134-D136 PolarHBondContact O-N 2.76Å; F134-Q154 HydrophobicContact CD1-CG 4.07Å; F134-Q154 HydrophobicContact CE1-CG 3.69Å; F134-Q154 HydrophobicContact CZ-CG 4.44Å
135I72.6Confident79.3Confident52 Ų5269.6 Ų69.627%0.26736%0.359SS..PPolyproline II helixtrans-69118.5171.4-63174.1000109.3G125 Y137 I140G125-I135 PolarHBondContact O-N 3.46Å; I135-Y137 HydrophobicContact CB-CE2 4.37Å; I135-Y137 HydrophobicContact CG2-CE1 4.45Å; I135-Y137 HydrophobicContact CG2-CE2 4.38Å; I135-Y137 VanDerWaalsContact O-CD2 3.3Å; I135-Y137 WeakPolarHBondContact O-CD2 3.45Å; I135-Y137 WeakPolarHBondContact O-CE2 3.3Å; I135-Y137 PolarHBondContact O-N 2.85Å; I135-I140 HydrophobicContact CG2-CD1 3.69Å
136D75.2Confident80Confident64 Ų6472.8 Ų72.834%0.34238%0.375SS..  trans-82.299173.8-172-21.4000110.9F134 C138 V139 I140F134-D136 PolarHBondContact O-N 2.76Å; D136-C138 PolarHBondContact O-N 3.05Å; D136-C138 WeakPolarHBondContact OD1-CA 3.18Å; D136-C138 VanDerWaalsContact OD1-CB 3.23Å; D136-C138 WeakPolarHBondContact OD1-CB 3.44Å; D136-C138 PolarHBondContact OD1-N 3.29Å; D136-V139 HydrophobicContact CB-CG2 4.27Å; D136-V139 PolarHBondContact O-N 3.33Å; D136-V139 PolarHBondContact OD1-N 3.4Å; D136-I140 PolarHBondContact O-N 3.37Å
137Y78.4Confident80.1Confident48 Ų4875 Ų7519%0.18840%0.403CS..Hα-helixtrans-65.6-22.8178.2-64.8-87.3000113.7I135 Y141 N155I135-Y137 HydrophobicContact CB-CE2 4.37Å; I135-Y137 HydrophobicContact CG2-CE1 4.45Å; I135-Y137 HydrophobicContact CG2-CE2 4.38Å; I135-Y137 VanDerWaalsContact O-CD2 3.3Å; I135-Y137 WeakPolarHBondContact O-CD2 3.45Å; I135-Y137 WeakPolarHBondContact O-CE2 3.3Å; I135-Y137 PolarHBondContact O-N 2.85Å; Y137-Y141 AromaticContact CD1-CD2 3.97Å; Y137-Y141 HydrophobicContact CD1-CD2 3.97Å; Y137-Y141 AromaticContact CD1-CE2 3.89Å; Y137-Y141 HydrophobicContact CD1-CE2 3.89Å; Y137-Y141 HydrophobicContact CE1-CE2 4.44Å; Y137-Y141 PolarHBondContact O-N 3.47Å; Y137-Y141 VanDerWaalsContact O-N 3.07Å; Y137-N155 VanDerWaalsContact CE2-CA 3.49Å
138C82.2Confident80.5Confident18 Ų1872.5 Ų72.512%0.12239%0.391CS..Hα-helixtrans-70.6-34.2179.4-68.60000111.9D136 T142 C150D136-C138 PolarHBondContact O-N 3.05Å; D136-C138 WeakPolarHBondContact OD1-CA 3.18Å; D136-C138 VanDerWaalsContact OD1-CB 3.23Å; D136-C138 WeakPolarHBondContact OD1-CB 3.44Å; D136-C138 PolarHBondContact OD1-N 3.29Å; C138-T142 PolarHBondContact O-N 3.39Å; C138-C150 WeakPolarHBondContact CA-SG 3.01Å; C138-C150 HydrophobicContact CB-CB 3.7Å; C138-C150 WeakPolarHBondContact CB-SG 3.48Å; C138-C150 WeakPolarHBondContact SG-CB 3.46Å; C138-C150 CovalentContact SG-SG 2.04Å; C138-C150 PolarHBondContact SG-SG 2.81Å
139V77.8Confident81Confident112 Ų11278 Ų7868%0.67941%0.407SS*.Hα-helixtrans-75.8-39.3177.4177.70000111.4D136D136-V139 HydrophobicContact CB-CG2 4.27Å; D136-V139 PolarHBondContact O-N 3.33Å; D136-V139 PolarHBondContact OD1-N 3.4Å
140I76.2Confident81.5Confident102 Ų10271.7 Ų71.752%0.52338%0.384SS..Hα-helixtrans-79.3-40.9-173.4-61.1174.7000112.1I135 D136I135-I140 HydrophobicContact CG2-CD1 3.69Å; D136-I140 PolarHBondContact O-N 3.37Å
141Y79.4Confident81.6Confident153 Ų15372.7 Ų72.760%0.639%0.389SS*.Hα-helixtrans-114.3-12.7-168.2-64.9-69.9000115.4Y137Y137-Y141 AromaticContact CD1-CD2 3.97Å; Y137-Y141 HydrophobicContact CD1-CD2 3.97Å; Y137-Y141 AromaticContact CD1-CE2 3.89Å; Y137-Y141 HydrophobicContact CD1-CE2 3.89Å; Y137-Y141 HydrophobicContact CE1-CE2 4.44Å; Y137-Y141 PolarHBondContact O-N 3.47Å; Y137-Y141 VanDerWaalsContact O-N 3.07Å
142T83.5Confident81.5Confident113 Ų11376.1 Ų76.169%0.69341%0.411SS*.  trans37.459.1-175.954.60000113.6C138 C144C138-T142 PolarHBondContact O-N 3.39Å; T142-C144 PolarHBondContact O-N 3.33Å
143P86.2Confident81.5Confident13 Ų1376.1 Ų76.18%0.08441%0.407CS..  trans-76.7-20.4-163.928.8-35.1000114.9Y157 N169P143-Y157 HydrophobicContact CB-CD1 4.37Å; P143-Y157 HydrophobicContact CB-CD2 3.84Å; P143-Y157 HydrophobicContact CB-CE1 3.91Å; P143-Y157 HydrophobicContact CB-CE2 3.32Å; P143-Y157 HydrophobicContact CB-CG 4.33Å; P143-Y157 HydrophobicContact CG-CD1 3.84Å; P143-Y157 HydrophobicContact CG-CD2 3.24Å; P143-Y157 HydrophobicContact CG-CE1 3.9Å; P143-Y157 HydrophobicContact CG-CE2 3.34Å; P143-Y157 HydrophobicContact CG-CG 3.51Å; P143-N169 WeakPolarHBondContact O-CB 3.33Å
144C89.9Confident81.3Confident23 Ų2376.8 Ų76.816%0.15541%0.41CS..  trans-82.1122.2-174.7-47.70000111.9T142 G148 C150 C159T142-C144 PolarHBondContact O-N 3.33Å; C144-G148 WeakPolarHBondContact CB-O 3.45Å; C144-C150 VanDerWaalsContact SG-CA 3.5Å; C144-C150 WeakPolarHBondContact SG-CB 3.46Å; C144-C159 WeakPolarHBondContact CA-SG 3.34Å; C144-C159 HydrophobicContact CB-CB 3.73Å; C144-C159 WeakPolarHBondContact CB-SG 3.37Å; C144-C159 WeakPolarHBondContact SG-CA 2.98Å; C144-C159 WeakPolarHBondContact SG-CB 3.46Å; C144-C159 CovalentContact SG-SG 2.02Å; C144-C159 PolarHBondContact SG-SG 2.95Å
145Q86.3Confident81.3Confident110 Ų11076 Ų7651%0.51441%0.411SS..  trans-99.8174.6177-59.1-165.3-1.600111.8G147 G148 N169 C170 T171Q145-G147 PolarHBondContact O-N 2.91Å; Q145-G147 VanDerWaalsContact O-N 3.09Å; Q145-G148 PolarHBondContact O-N 3.06Å; Q145-N169 PolarHBondContact N-O 2.75Å; Q145-C170 WeakPolarHBondContact O-CB 3.22Å; Q145-T171 HydrophobicContact CB-CG2 4.24Å; Q145-T171 HydrophobicContact CG-CG2 4.16Å
146N82.6Confident81.6Confident70 Ų7076.4 Ų76.437%0.37441%0.413SS..THydrogen-bonded Turntrans52.235.4174.5-59.3-49.6000115.1A162 Y165 C170N146-A162 WeakPolarHBondContact O-CB 3.19Å; N146-Y165 HydrophobicContact CB-CD1 3.72Å; N146-Y165 HydrophobicContact CB-CD2 3.84Å; N146-Y165 HydrophobicContact CB-CE1 3.63Å; N146-Y165 HydrophobicContact CB-CE2 3.76Å; N146-Y165 HydrophobicContact CB-CG 3.81Å; N146-Y165 VanDerWaalsContact ND2-CD1 3.33Å; N146-Y165 WeakPolarHBondContact ND2-CD1 3.47Å; N146-Y165 WeakPolarHBondContact ND2-CE1 3.23Å; N146-C170 PolarHBondContact ND2-O 3.32Å
147G81.6Confident82.1Confident66 Ų6675.4 Ų75.468%0.6841%0.405SS*.THydrogen-bonded Turntrans78.216.4178.900000114.8Q145Q145-G147 PolarHBondContact O-N 2.91Å; Q145-G147 VanDerWaalsContact O-N 3.09Å
148G86.2Confident82.6Confident15 Ų1577.6 Ų77.616%0.15542%0.417CS..PPolyproline II helixtrans-65.2138.717300000112.6C144 Q145 E160C144-G148 WeakPolarHBondContact CB-O 3.45Å; Q145-G148 PolarHBondContact O-N 3.06Å; G148-E160 CarbonylContact C-O 3.52Å; G148-E160 WeakPolarHBondContact CA-O 3.01Å
149K89.1Confident83Confident143 Ų14377.1 Ų77.162%0.62241%0.414SS*.EExtended strand (participates in β ladder)trans-87.2127.6175.4-65.3179.7-178.7176.80110C159 E160K149-C159 CarbonylContact O-C 3.48Å; K149-C159 WeakPolarHBondContact O-CA 3.4Å; K149-E160 HydrophobicContact CB-CB 4.26Å; K149-E160 PolarHBondContact N-O 2.9Å; K149-E160 PolarHBondContact O-N 3.41Å
150C89.9Confident83.6Confident39 Ų3976.3 Ų76.326%0.26440%0.402SS..EExtended strand (participates in β ladder)trans-90.1130179.8-164.70000111.1C138 C144C138-C150 WeakPolarHBondContact CA-SG 3.01Å; C138-C150 HydrophobicContact CB-CB 3.7Å; C138-C150 WeakPolarHBondContact CB-SG 3.48Å; C138-C150 WeakPolarHBondContact SG-CB 3.46Å; C138-C150 CovalentContact SG-SG 2.04Å; C138-C150 PolarHBondContact SG-SG 2.81Å; C144-C150 VanDerWaalsContact SG-CA 3.5Å; C144-C150 WeakPolarHBondContact SG-CB 3.46Å
151H86.9Confident84.2Confident73 Ų7373.6 Ų73.634%0.33839%0.392SS..EExtended strand (participates in β ladder)trans-116.4125.3172.9-65.6-78.5000109.9Y157 H158 E160H151-Y157 WeakPolarHBondContact O-CA 3.07Å; H151-H158 HydrophobicContact CB-CB 4.46Å; H151-H158 PolarHBondContact N-O 2.96Å; H151-H158 PolarHBondContact O-N 2.04Å; H151-E160 VanDerWaalsContact CD2-CD 3.48Å; H151-E160 IonicContact CD2-OE1 3.81Å; H151-E160 IonicContact CD2-OE2 3.89Å; H151-E160 IonicContact CE1-OE1 3.9Å; H151-E160 IonicContact CE1-OE2 3.06Å; H151-E160 IonicContact NE2-OE1 2.91Å; H151-E160 PolarHBondContact NE2-OE1 3.37Å; H151-E160 IonicContact NE2-OE2 2.7Å; H151-E160 PolarHBondContact NE2-OE2 3.07Å
152P81.3Confident84.3Confident73 Ų7368.1 Ų68.147%0.47438%0.379SS..EExtended strand (participates in β ladder)trans-71.4139.4178.828.5-33000110.9
153L79.1Confident84.1Confident90 Ų9066.4 Ų66.447%0.47138%0.376SS..EExtended strand (participates in β ladder)trans-126164.3172.9-64.4175.5000110.1N155 D156 H158L153-N155 PolarHBondContact O-N 2.83Å; L153-D156 CarbonylContact C-O 3.59Å; L153-D156 WeakPolarHBondContact CA-O 3.41Å; L153-D156 HydrophobicContact CB-CB 4.34Å; L153-D156 WeakPolarHBondContact CB-O 3.34Å; L153-D156 PolarHBondContact N-O 3.35Å; L153-D156 PolarHBondContact O-N 2.96Å; L153-H158 HydrophobicContact CD1-CB 3.93Å; L153-H158 HydrophobicContact CG-CB 4.46Å
154Q70.9Confident83.4Confident131 Ų13166 Ų6661%0.61237%0.374SS*.THydrogen-bonded Turntrans-64109.7172.5-173.5175.81500109.4F134 D156F134-Q154 HydrophobicContact CD1-CG 4.07Å; F134-Q154 HydrophobicContact CE1-CG 3.69Å; F134-Q154 HydrophobicContact CZ-CG 4.44Å; Q154-D156 VanDerWaalsContact C-N 3.26Å; Q154-D156 PolarHBondContact O-N 2.76Å
155N71.1Confident83.1Confident87 Ų8766.8 Ų66.847%0.46537%0.374SS..THydrogen-bonded Turntrans64.912.5-176.7-63.7-22.3000116.6G125 Y137 L153G125-N155 WeakPolarHBondContact CA-OD1 3.04Å; Y137-N155 VanDerWaalsContact CE2-CA 3.49Å; L153-N155 PolarHBondContact O-N 2.83Å
156D80.3Confident82.9Confident61 Ų6166.3 Ų66.333%0.32637%0.372SS..EExtended strand (participates in β ladder)trans-152-175.1176.4-154.9-0.5000111.3L153 Q154 K168L153-D156 CarbonylContact C-O 3.59Å; L153-D156 WeakPolarHBondContact CA-O 3.41Å; L153-D156 HydrophobicContact CB-CB 4.34Å; L153-D156 WeakPolarHBondContact CB-O 3.34Å; L153-D156 PolarHBondContact N-O 3.35Å; L153-D156 PolarHBondContact O-N 2.96Å; Q154-D156 VanDerWaalsContact C-N 3.26Å; Q154-D156 PolarHBondContact O-N 2.76Å; D156-K168 VanDerWaalsContact CG-NZ 3.28Å; D156-K168 IonicContact OD1-NZ 2.96Å; D156-K168 PolarHBondContact OD1-NZ 3.25Å; D156-K168 IonicContact OD2-NZ 3.59Å; D156-K168 PolarHBondContact OD2-NZ 3.09Å
157Y86.1Confident83Confident43 Ų4365 Ų6517%0.16938%0.375CS..EExtended strand (participates in β ladder)trans-135.5155.8169.459.2-89.3000110.3P143 H151 K168 N169P143-Y157 HydrophobicContact CB-CD1 4.37Å; P143-Y157 HydrophobicContact CB-CD2 3.84Å; P143-Y157 HydrophobicContact CB-CE1 3.91Å; P143-Y157 HydrophobicContact CB-CE2 3.32Å; P143-Y157 HydrophobicContact CB-CG 4.33Å; P143-Y157 HydrophobicContact CG-CD1 3.84Å; P143-Y157 HydrophobicContact CG-CD2 3.24Å; P143-Y157 HydrophobicContact CG-CE1 3.9Å; P143-Y157 HydrophobicContact CG-CE2 3.34Å; P143-Y157 HydrophobicContact CG-CG 3.51Å; H151-Y157 WeakPolarHBondContact O-CA 3.07Å; Y157-K168 HydrophobicContact CE2-CG 4.25Å; Y157-N169 WeakPolarHBondContact CE2-OD1 3.29Å; Y157-N169 PolarHBondContact OH-OD1 2.02Å
158H88.8Confident83.1Confident95 Ų9567.4 Ų67.444%0.4437%0.366SS..EExtended strand (participates in β ladder)trans-120.6127.3170.9176.663.9000110.3H151 L153H151-H158 HydrophobicContact CB-CB 4.46Å; H151-H158 PolarHBondContact N-O 2.96Å; H151-H158 PolarHBondContact O-N 2.04Å; L153-H158 HydrophobicContact CD1-CB 3.93Å; L153-H158 HydrophobicContact CG-CB 4.46Å
159C90.8Very high83.2Confident7 Ų769.1 Ų69.15%0.04737%0.372CS..EExtended strand (participates in β ladder)trans-98.2115.2173.1-63.50000110.6C144 K149 C161 K168 C170C144-C159 WeakPolarHBondContact CA-SG 3.34Å; C144-C159 HydrophobicContact CB-CB 3.73Å; C144-C159 WeakPolarHBondContact CB-SG 3.37Å; C144-C159 WeakPolarHBondContact SG-CA 2.98Å; C144-C159 WeakPolarHBondContact SG-CB 3.46Å; C144-C159 CovalentContact SG-SG 2.02Å; C144-C159 PolarHBondContact SG-SG 2.95Å; K149-C159 CarbonylContact O-C 3.48Å; K149-C159 WeakPolarHBondContact O-CA 3.4Å; C159-C161 PolarHBondContact O-N 3.33Å; C159-K168 VanDerWaalsContact CB-O 3.29Å; C159-K168 WeakPolarHBondContact CB-O 3.47Å; C159-K168 PolarHBondContact SG-O 2.9Å; C159-K168 VanDerWaalsContact SG-O 3.35Å; C159-C170 VanDerWaalsContact CB-SG 3.53Å
160E89.9Confident83.1Confident95 Ų9562.3 Ų62.344%0.44434%0.342SS..EExtended strand (participates in β ladder)trans-79.6103.5166.5-76.5177.5179.200109.2G148 K149 H151G148-E160 CarbonylContact C-O 3.52Å; G148-E160 WeakPolarHBondContact CA-O 3.01Å; K149-E160 HydrophobicContact CB-CB 4.26Å; K149-E160 PolarHBondContact N-O 2.9Å; K149-E160 PolarHBondContact O-N 3.41Å; H151-E160 VanDerWaalsContact CD2-CD 3.48Å; H151-E160 IonicContact CD2-OE1 3.81Å; H151-E160 IonicContact CD2-OE2 3.89Å; H151-E160 IonicContact CE1-OE1 3.9Å; H151-E160 IonicContact CE1-OE2 3.06Å; H151-E160 IonicContact NE2-OE1 2.91Å; H151-E160 PolarHBondContact NE2-OE1 3.37Å; H151-E160 IonicContact NE2-OE2 2.7Å; H151-E160 PolarHBondContact NE2-OE2 3.07Å
161C87.3Confident82.8Confident46 Ų4663.8 Ų63.831%0.31135%0.35SS..PPolyproline II helixtrans-73.2142.4-174.4-56.20000113.3C159 Y165 C170C159-C161 PolarHBondContact O-N 3.33Å; C161-Y165 WeakPolarHBondContact CB-O 3.37Å; C161-C170 WeakPolarHBondContact CA-SG 3.2Å; C161-C170 HydrophobicContact CB-CB 3.68Å; C161-C170 WeakPolarHBondContact CB-SG 3.01Å; C161-C170 WeakPolarHBondContact SG-CA 3.38Å; C161-C170 WeakPolarHBondContact SG-CB 3.49Å; C161-C170 CovalentContact SG-SG 2.04Å; C161-C170 PolarHBondContact SG-SG 3.17Å
162A82.5Confident82.5Confident38 Ų3863.4 Ų63.431%0.31435%0.354SS..PPolyproline II helixtrans-62.6152.5169.600000110.8N146 G164 Y165N146-A162 WeakPolarHBondContact O-CB 3.19Å; A162-G164 PolarHBondContact O-N 2.04Å; A162-G164 VanDerWaalsContact O-N 3.17Å; A162-Y165 PolarHBondContact O-N 3.06Å; A162-Y165 VanDerWaalsContact O-N 3.1Å
163A78.8Confident82.3Confident77 Ų7762.1 Ų62.164%0.63634%0.342SS*.THydrogen-bonded Turntrans-55.6122.5-178.500000111.5N193A163-N193 WeakPolarHBondContact CB-ND2 3.43Å; A163-N193 WeakPolarHBondContact O-CB 3.34Å; A163-N193 PolarHBondContact O-ND2 2.9Å
164G72.6Confident82.2Confident4 Ų460.8 Ų60.84%0.04134%0.335CS..THydrogen-bonded Turntrans104.4-2.3-177.200000115.2A162 N173 I174A162-G164 PolarHBondContact O-N 2.04Å; A162-G164 VanDerWaalsContact O-N 3.17Å; G164-N173 WeakPolarHBondContact O-CA 3.21Å; G164-N173 PolarHBondContact O-OD1 3.21Å; G164-N173 VanDerWaalsContact O-OD1 3.09Å; G164-I174 PolarHBondContact O-N 2.77Å
165Y83.1Confident82.5Confident40 Ų4058.4 Ų58.416%0.15733%0.327CS..EExtended strand (participates in β ladder)trans-121.5149.1176.4-65.3-88.3000112.5N146 C161 A162 T172 N173 I192N146-Y165 HydrophobicContact CB-CD1 3.72Å; N146-Y165 HydrophobicContact CB-CD2 3.84Å; N146-Y165 HydrophobicContact CB-CE1 3.63Å; N146-Y165 HydrophobicContact CB-CE2 3.76Å; N146-Y165 HydrophobicContact CB-CG 3.81Å; N146-Y165 VanDerWaalsContact ND2-CD1 3.33Å; N146-Y165 WeakPolarHBondContact ND2-CD1 3.47Å; N146-Y165 WeakPolarHBondContact ND2-CE1 3.23Å; C161-Y165 WeakPolarHBondContact CB-O 3.37Å; A162-Y165 PolarHBondContact O-N 3.06Å; A162-Y165 VanDerWaalsContact O-N 3.1Å; Y165-T172 CarbonylContact C-O 3.47Å; Y165-T172 WeakPolarHBondContact CA-O 3.45Å; Y165-N173 HydrophobicContact CD1-CB 4.49Å; Y165-N173 HydrophobicContact CE1-CB 4.37Å; Y165-I192 HydrophobicContact CE2-CG2 3.78Å; Y165-I192 WeakPolarHBondContact OH-CG2 3.02Å
166E81.9Confident82.8Confident99 Ų9957.9 Ų57.946%0.46332%0.32SS..EExtended strand (participates in β ladder)trans-136.7173.9176.869.8177.4-171.900111.8T171 T172 I174E166-T171 PolarHBondContact O-N 3Å; E166-T172 HydrophobicContact CG-CG2 3.9Å; E166-T172 PolarHBondContact N-O 3.11Å; E166-T172 WeakPolarHBondContact O-CB 3.49Å; E166-T172 PolarHBondContact O-N 3.1Å; E166-T172 VanDerWaalsContact O-N 3.09Å; E166-I174 HydrophobicContact CB-CG1 4.03Å; E166-I174 HydrophobicContact CG-CG1 4.14Å
167G84.3Confident83Confident43 Ų4356.1 Ų56.144%0.44331%0.313SS..SBendtrans95.3162.9-177.600000113.4N169 C170G167-N169 PolarHBondContact O-N 2.86Å; G167-N169 VanDerWaalsContact O-N 3.11Å; G167-C170 PolarHBondContact O-N 3.43Å
168K84.7Confident82.8Confident116 Ų11664 Ų6450%0.50434%0.342SS..THydrogen-bonded Turntrans-55.9-32.4-175.2-175.6169.8176.4164.40113.2D156 Y157 C159D156-K168 VanDerWaalsContact CG-NZ 3.28Å; D156-K168 IonicContact OD1-NZ 2.96Å; D156-K168 PolarHBondContact OD1-NZ 3.25Å; D156-K168 IonicContact OD2-NZ 3.59Å; D156-K168 PolarHBondContact OD2-NZ 3.09Å; Y157-K168 HydrophobicContact CE2-CG 4.25Å; C159-K168 VanDerWaalsContact CB-O 3.29Å; C159-K168 WeakPolarHBondContact CB-O 3.47Å; C159-K168 PolarHBondContact SG-O 2.9Å; C159-K168 VanDerWaalsContact SG-O 3.35Å
169N88.3Confident82.6Confident51 Ų5166.6 Ų66.627%0.27336%0.359SS..THydrogen-bonded Turntrans-111.511.8-177.3-64.1-0.6000112.6P143 Q145 Y157 G167 T171P143-N169 WeakPolarHBondContact O-CB 3.33Å; Q145-N169 PolarHBondContact N-O 2.75Å; Y157-N169 WeakPolarHBondContact CE2-OD1 3.29Å; Y157-N169 PolarHBondContact OH-OD1 2.02Å; G167-N169 PolarHBondContact O-N 2.86Å; G167-N169 VanDerWaalsContact O-N 3.11Å; N169-T171 HydrophobicContact CB-CG2 3.86Å; N169-T171 PolarHBondContact O-N 3.09Å
170C87.2Confident82.2Confident0 Ų070.4 Ų70.40%038%0.379CS..SBendtrans56.933.1-176.9-49.30000114.1Q145 N146 C159 C161 G167Q145-C170 WeakPolarHBondContact O-CB 3.22Å; N146-C170 PolarHBondContact ND2-O 3.32Å; C159-C170 VanDerWaalsContact CB-SG 3.53Å; C161-C170 WeakPolarHBondContact CA-SG 3.2Å; C161-C170 HydrophobicContact CB-CB 3.68Å; C161-C170 WeakPolarHBondContact CB-SG 3.01Å; C161-C170 WeakPolarHBondContact SG-CA 3.38Å; C161-C170 WeakPolarHBondContact SG-CB 3.49Å; C161-C170 CovalentContact SG-SG 2.04Å; C161-C170 PolarHBondContact SG-SG 3.17Å; G167-C170 PolarHBondContact O-N 3.43Å
171T83.9Confident81.9Confident70 Ų7067.4 Ų67.443%0.42937%0.368SS..  trans-87.5-23.8-175.549.20000113.5Q145 E166 N169Q145-T171 HydrophobicContact CB-CG2 4.24Å; Q145-T171 HydrophobicContact CG-CG2 4.16Å; E166-T171 PolarHBondContact O-N 3Å; N169-T171 HydrophobicContact CB-CG2 3.86Å; N169-T171 PolarHBondContact O-N 3.09Å
172T79.7Confident81.8Confident66 Ų6665.2 Ų65.241%0.40535%0.353SS..EExtended strand (participates in β ladder)trans-96.1124.7-171.7-54.20000109.3Y165 E166Y165-T172 CarbonylContact C-O 3.47Å; Y165-T172 WeakPolarHBondContact CA-O 3.45Å; E166-T172 HydrophobicContact CG-CG2 3.9Å; E166-T172 PolarHBondContact N-O 3.11Å; E166-T172 WeakPolarHBondContact O-CB 3.49Å; E166-T172 PolarHBondContact O-N 3.1Å; E166-T172 VanDerWaalsContact O-N 3.09Å
173N76.2Confident81.9Confident45 Ų4565.1 Ų65.124%0.24136%0.356CS..EExtended strand (participates in β ladder)trans-73.5131.8169.9-177.4-10.3000108.9G164 Y165 D175 G191 I192G164-N173 WeakPolarHBondContact O-CA 3.21Å; G164-N173 PolarHBondContact O-OD1 3.21Å; G164-N173 VanDerWaalsContact O-OD1 3.09Å; Y165-N173 HydrophobicContact CD1-CB 4.49Å; Y165-N173 HydrophobicContact CE1-CB 4.37Å; N173-D175 PolarHBondContact O-N 2.78Å; N173-G191 PolarHBondContact ND2-O 2.9Å; N173-G191 PolarHBondContact OD1-O 2.78Å; N173-I192 WeakPolarHBondContact ND2-CA 3.49Å
174I77.7Confident82.2Confident62 Ų6265.4 Ų65.432%0.31836%0.358SS..PPolyproline II helixtrans-62.3118.8176.4-63.8172.4000108.7G164 E166 K176 N190G164-I174 PolarHBondContact O-N 2.77Å; E166-I174 HydrophobicContact CB-CG1 4.03Å; E166-I174 HydrophobicContact CG-CG1 4.14Å; I174-K176 PolarHBondContact O-N 3.43Å; I174-N190 PolarHBondContact O-ND2 3.18Å; I174-N190 PolarHBondContact O-OD1 3.09Å
175D77.2Confident82.7Confident82 Ų8268.2 Ų68.244%0.43937%0.37SS..  trans-73.693.3177.2-174.67.3000111.4N173 C177 R178N173-D175 PolarHBondContact O-N 2.78Å; D175-C177 PolarHBondContact O-N 2.88Å; D175-C177 WeakPolarHBondContact OD1-CA 3.47Å; D175-C177 VanDerWaalsContact OD1-CB 3.3Å; D175-C177 WeakPolarHBondContact OD1-CB 3.47Å; D175-C177 PolarHBondContact OD1-N 3.31Å; D175-R178 HydrophobicContact CB-CB 4.47Å; D175-R178 WeakPolarHBondContact O-CB 3.3Å; D175-R178 PolarHBondContact O-N 3.11Å; D175-R178 PolarHBondContact OD1-N 3.48Å
176K78Confident82.8Confident75 Ų7566.8 Ų66.833%0.32637%0.368SS..THydrogen-bonded Turntrans-71.5-10.5176.2-66.3-165.4178.4-172.20112.8I174 N190 N193 Y195I174-K176 PolarHBondContact O-N 3.43Å; K176-N190 PolarHBondContact N-OD1 3Å; K176-N190 VanDerWaalsContact N-OD1 3.11Å; K176-N193 WeakPolarHBondContact CE-OD1 3.41Å; K176-N193 VanDerWaalsContact NZ-C 3.32Å; K176-N193 PolarHBondContact NZ-O 2.88Å; K176-N193 PolarHBondContact NZ-OD1 3.26Å; K176-Y195 HydrophobicContact CB-CD1 4.07Å; K176-Y195 HydrophobicContact CB-CG 4.49Å; K176-Y195 HydrophobicContact CD-CD1 4.4Å
177C84.3Confident83.1Confident25 Ų2566.4 Ų66.417%0.16937%0.372CS..THydrogen-bonded Turntrans-87.1-8.2175-69.40000113.7D175 N179 N180 C188 E189 N190D175-C177 PolarHBondContact O-N 2.88Å; D175-C177 WeakPolarHBondContact OD1-CA 3.47Å; D175-C177 VanDerWaalsContact OD1-CB 3.3Å; D175-C177 WeakPolarHBondContact OD1-CB 3.47Å; D175-C177 PolarHBondContact OD1-N 3.31Å; C177-N179 PolarHBondContact O-N 3.44Å; C177-N179 VanDerWaalsContact O-N 3.11Å; C177-N180 PolarHBondContact O-N 2.78Å; C177-C188 WeakPolarHBondContact CA-SG 3.45Å; C177-C188 HydrophobicContact CB-CB 3.73Å; C177-C188 WeakPolarHBondContact CB-SG 3.42Å; C177-C188 WeakPolarHBondContact SG-CB 3.37Å; C177-C188 CovalentContact SG-SG 2.04Å; C177-C188 PolarHBondContact SG-SG 3.35Å; C177-E189 VanDerWaalsContact SG-C 3.51Å; C177-N190 HydrophobicContact CB-CB 4.43Å; C177-N190 PolarHBondContact SG-N 2.97Å; C177-N190 VanDerWaalsContact SG-N 3.35Å
178R82.5Confident83.3Confident208 Ų20865.7 Ų65.779%0.78536%0.36SS*.THydrogen-bonded Turntrans-54.3-34.4-175.8-175.7174.5179.3173.20.9114.6D175D175-R178 HydrophobicContact CB-CB 4.47Å; D175-R178 WeakPolarHBondContact O-CB 3.3Å; D175-R178 PolarHBondContact O-N 3.11Å; D175-R178 PolarHBondContact OD1-N 3.48Å
179N82.9Confident83.4Confident150 Ų15064.2 Ų64.280%0.80236%0.355SS*.THydrogen-bonded Turntrans-95.911.7-180-67.5-23000113.5C177C177-N179 PolarHBondContact O-N 3.44Å; C177-N179 VanDerWaalsContact O-N 3.11Å
180N82.5Confident82.9Confident86 Ų8664.8 Ų64.846%0.4636%0.358SS..  trans46.664.8-175-168.929.5000113.9C177 C182 G183C177-N180 PolarHBondContact O-N 2.78Å; N180-C182 PolarHBondContact O-N 3.07Å; N180-C182 VanDerWaalsContact O-N 3.13Å; N180-G183 PolarHBondContact ND2-O 3.31Å; N180-G183 PolarHBondContact O-N 3.11Å
181P85.3Confident82.2Confident32 Ų3265.6 Ų65.621%0.20837%0.366CS..THydrogen-bonded Turntrans-63.3-19.8-177.527.7-35.8000113.9G183 Y195 N207P181-G183 VanDerWaalsContact C-N 3.25Å; P181-G183 PolarHBondContact O-N 3.5Å; P181-Y195 HydrophobicContact CB-CD2 4.19Å; P181-Y195 HydrophobicContact CB-CE1 4.33Å; P181-Y195 HydrophobicContact CB-CE2 3.64Å; P181-Y195 HydrophobicContact CG-CD1 4.33Å; P181-Y195 HydrophobicContact CG-CD2 3.56Å; P181-Y195 HydrophobicContact CG-CE1 4.33Å; P181-Y195 HydrophobicContact CG-CE2 3.56Å; P181-Y195 HydrophobicContact CG-CG 3.96Å; P181-N207 VanDerWaalsContact O-CB 3.26Å; P181-N207 WeakPolarHBondContact O-CB 3.41Å; P181-N207 VanDerWaalsContact O-CG 3.25Å; P181-N207 PolarHBondContact O-OD1 3.02Å
182C85.4Confident81.5Confident0 Ų067.5 Ų67.50%037%0.373CS..THydrogen-bonded Turntrans-81.73.6-179-49.40000114.4N180 G186 C188 C197 N207N180-C182 PolarHBondContact O-N 3.07Å; N180-C182 VanDerWaalsContact O-N 3.13Å; C182-G186 WeakPolarHBondContact CB-O 3.39Å; C182-G186 PolarHBondContact O-N 2.91Å; C182-C188 HydrophobicContact CB-CB 4.45Å; C182-C188 WeakPolarHBondContact SG-CA 3.47Å; C182-C188 WeakPolarHBondContact SG-CB 3.33Å; C182-C197 WeakPolarHBondContact CA-SG 3.46Å; C182-C197 HydrophobicContact CB-CB 3.69Å; C182-C197 WeakPolarHBondContact CB-SG 2.98Å; C182-C197 WeakPolarHBondContact SG-CA 3.24Å; C182-C197 WeakPolarHBondContact SG-CB 3.26Å; C182-C197 CovalentContact SG-SG 2.02Å; C182-C197 PolarHBondContact SG-SG 3.3Å; C182-N207 CarbonylContact C-O 3.59Å; C182-N207 WeakPolarHBondContact CA-O 3.37Å
183G84Confident80.9Confident36 Ų3667.7 Ų67.737%0.37137%0.371SS..THydrogen-bonded Turntrans63.1-154.6178.600000113.7N180 P181N180-G183 PolarHBondContact ND2-O 3.31Å; N180-G183 PolarHBondContact O-N 3.11Å; P181-G183 VanDerWaalsContact C-N 3.25Å; P181-G183 PolarHBondContact O-N 3.5Å
184A84.4Confident80.9Confident83 Ų8371.7 Ų71.769%0.68639%0.387SS*.THydrogen-bonded Turntrans-79.9-17.7179.900000113.5
185H83.2Confident81.1Confident64 Ų6471 Ų7130%0.29638%0.38SS..SBendtrans-112.119.4-169-58.7-60.4000113.5C199 E200 Y203 C208H185-C199 WeakPolarHBondContact O-CA 3.44Å; H185-E200 IonicContact ND1-OE2 3.12Å; H185-E200 PolarHBondContact ND1-OE2 3.49Å; H185-E200 PolarHBondContact O-N 2.72Å; H185-Y203 HydrophobicContact CB-CD1 3.87Å; H185-Y203 HydrophobicContact CB-CD2 3.65Å; H185-Y203 HydrophobicContact CB-CE1 4.21Å; H185-Y203 HydrophobicContact CB-CE2 4Å; H185-Y203 HydrophobicContact CB-CG 3.59Å; H185-Y203 AromaticContact CD2-CD1 3.85Å; H185-Y203 AromaticContact CD2-CE1 3.37Å; H185-Y203 WeakPolarHBondContact CD2-CE1 3.03Å; H185-Y203 AromaticContact CD2-CZ 3.47Å; H185-Y203 VanDerWaalsContact CD2-CZ 3.47Å; H185-Y203 AromaticContact CE1-CE2 3.84Å; H185-Y203 AromaticContact CE1-CZ 3.57Å; H185-Y203 PolarHBondContact CE1-OH 3.37Å; H185-Y203 AromaticContact CG-CD1 3.87Å; H185-Y203 AromaticContact CG-CD2 3.74Å; H185-Y203 AromaticContact CG-CE1 3.67Å; H185-Y203 AromaticContact CG-CE2 3.54Å; H185-Y203 AromaticContact CG-CG 3.91Å; H185-Y203 AromaticContact CG-CZ 3.5Å; H185-Y203 AromaticContact ND1-CD2 3.97Å; H185-Y203 AromaticContact ND1-CE2 3.42Å; H185-Y203 WeakPolarHBondContact ND1-CE2 3.17Å; H185-Y203 AromaticContact ND1-CZ 3.57Å; H185-Y203 AromaticContact NE2-CE1 3.82Å; H185-Y203 AromaticContact NE2-CZ 3.54Å; H185-Y203 PolarHBondContact NE2-OH 3.13Å; H185-C208 HydrophobicContact CB-CB 4.47Å; H185-C208 WeakPolarHBondContact O-CB 3.05Å
186G85.1Confident81.5Confident10 Ų1070.3 Ų70.310%0.10338%0.379CS..EExtended strand (participates in β ladder)trans-150.2144.117900000113.8C182 K198C182-G186 WeakPolarHBondContact CB-O 3.39Å; C182-G186 PolarHBondContact O-N 2.91Å; G186-K198 CarbonylContact C-O 3.49Å; G186-K198 VanDerWaalsContact CA-O 3.29Å; G186-K198 WeakPolarHBondContact CA-O 3.08Å
187T88.8Confident82Confident90 Ų9067.8 Ų67.855%0.55237%0.371SS*.EExtended strand (participates in β ladder)trans-93.3121.8172.4-54.60000109.9K198T187-K198 PolarHBondContact N-O 2.04Å; T187-K198 PolarHBondContact O-N 2.02Å
188C88.3Confident82.2Confident28 Ų2872.1 Ų72.119%0.18939%0.387CS..EExtended strand (participates in β ladder)trans-84.4130-179.2-166.10000112.7C177 C182C177-C188 WeakPolarHBondContact CA-SG 3.45Å; C177-C188 HydrophobicContact CB-CB 3.73Å; C177-C188 WeakPolarHBondContact CB-SG 3.42Å; C177-C188 WeakPolarHBondContact SG-CB 3.37Å; C177-C188 CovalentContact SG-SG 2.04Å; C177-C188 PolarHBondContact SG-SG 3.35Å; C182-C188 HydrophobicContact CB-CB 4.45Å; C182-C188 WeakPolarHBondContact SG-CA 3.47Å; C182-C188 WeakPolarHBondContact SG-CB 3.33Å
189E85.7Confident82.4Confident85 Ų8564.5 Ų64.540%0.39737%0.365SS..EExtended strand (participates in β ladder)trans-113.8117.1170.7-62.8-171.5145.400110.2C177 Y195 T196 K198C177-E189 VanDerWaalsContact SG-C 3.51Å; E189-Y195 CarbonylContact O-C 3.48Å; E189-Y195 WeakPolarHBondContact O-CA 3.4Å; E189-T196 PolarHBondContact N-O 3.27Å; E189-T196 PolarHBondContact O-N 3.23Å; E189-K198 VanDerWaalsContact CD-NZ 3.32Å; E189-K198 HydrophobicContact CG-CD 4.45Å; E189-K198 WeakPolarHBondContact OE1-CE 3.41Å; E189-K198 IonicContact OE1-NZ 3.42Å; E189-K198 PolarHBondContact OE1-NZ 3.31Å; E189-K198 WeakPolarHBondContact OE2-CE 3.02Å; E189-K198 IonicContact OE2-NZ 2.76Å; E189-K198 PolarHBondContact OE2-NZ 2.04Å
190N78.1Confident82.5Confident64 Ų6462.4 Ų62.434%0.34235%0.35SS..EExtended strand (participates in β ladder)trans-76.9133.4179.3-168.641.5000110.6I174 K176 C177I174-N190 PolarHBondContact O-ND2 3.18Å; I174-N190 PolarHBondContact O-OD1 3.09Å; K176-N190 PolarHBondContact N-OD1 3Å; K176-N190 VanDerWaalsContact N-OD1 3.11Å; C177-N190 HydrophobicContact CB-CB 4.43Å; C177-N190 PolarHBondContact SG-N 2.97Å; C177-N190 VanDerWaalsContact SG-N 3.35Å
191G72.5Confident82.3Confident17 Ų1767.9 Ų67.918%0.17537%0.373CS..EExtended strand (participates in β ladder)trans-124.1180176.200000111.7N173 N193 K194N173-G191 PolarHBondContact ND2-O 2.9Å; N173-G191 PolarHBondContact OD1-O 2.78Å; G191-N193 PolarHBondContact O-N 2.81Å; G191-K194 CarbonylContact C-O 3.53Å; G191-K194 VanDerWaalsContact CA-O 3.24Å; G191-K194 WeakPolarHBondContact CA-O 3.44Å; G191-K194 PolarHBondContact N-O 3.13Å; G191-K194 VanDerWaalsContact O-O 3.12Å
192I68.8Low81.6Confident109 Ų10967.2 Ų67.256%0.55937%0.372SS*.THydrogen-bonded Turntrans-72.2112.6175.4-59.5169000108.5Y165 N173 K194Y165-I192 HydrophobicContact CE2-CG2 3.78Å; Y165-I192 WeakPolarHBondContact OH-CG2 3.02Å; N173-I192 WeakPolarHBondContact ND2-CA 3.49Å; I192-K194 PolarHBondContact O-N 3.38Å; I192-K194 VanDerWaalsContact O-N 3.07Å
193N67.9Low81.4Confident71 Ų7170.1 Ų70.138%0.3838%0.383SS..THydrogen-bonded Turntrans55.219.9-176.8-159.713000115.1A163 K176 G191A163-N193 WeakPolarHBondContact CB-ND2 3.43Å; A163-N193 WeakPolarHBondContact O-CB 3.34Å; A163-N193 PolarHBondContact O-ND2 2.9Å; K176-N193 WeakPolarHBondContact CE-OD1 3.41Å; K176-N193 VanDerWaalsContact NZ-C 3.32Å; K176-N193 PolarHBondContact NZ-O 2.88Å; K176-N193 PolarHBondContact NZ-OD1 3.26Å; G191-N193 PolarHBondContact O-N 2.81Å
194K75.7Confident81.1Confident129 Ų12971 Ų7156%0.56138%0.382SS*.EExtended strand (participates in β ladder)trans-149.4160177.766.8-179.8-179.3176.40110.5G191 I192G191-K194 CarbonylContact C-O 3.53Å; G191-K194 VanDerWaalsContact CA-O 3.24Å; G191-K194 WeakPolarHBondContact CA-O 3.44Å; G191-K194 PolarHBondContact N-O 3.13Å; G191-K194 VanDerWaalsContact O-O 3.12Å; I192-K194 PolarHBondContact O-N 3.38Å; I192-K194 VanDerWaalsContact O-N 3.07Å
195Y83.2Confident80.8Confident47 Ų4768.4 Ų68.418%0.18436%0.362CS..EExtended strand (participates in β ladder)trans-122.5154.3163.966.3-84.8000108.4K176 P181 E189 C197 W206 N207K176-Y195 HydrophobicContact CB-CD1 4.07Å; K176-Y195 HydrophobicContact CB-CG 4.49Å; K176-Y195 HydrophobicContact CD-CD1 4.4Å; P181-Y195 HydrophobicContact CB-CD2 4.19Å; P181-Y195 HydrophobicContact CB-CE1 4.33Å; P181-Y195 HydrophobicContact CB-CE2 3.64Å; P181-Y195 HydrophobicContact CG-CD1 4.33Å; P181-Y195 HydrophobicContact CG-CD2 3.56Å; P181-Y195 HydrophobicContact CG-CE1 4.33Å; P181-Y195 HydrophobicContact CG-CE2 3.56Å; P181-Y195 HydrophobicContact CG-CG 3.96Å; E189-Y195 CarbonylContact O-C 3.48Å; E189-Y195 WeakPolarHBondContact O-CA 3.4Å; Y195-C197 VanDerWaalsContact CE2-SG 3.58Å; Y195-W206 AromaticContact CE1-NE1 3.99Å; Y195-W206 AromaticContact CE2-NE1 3.67Å; Y195-W206 AromaticContact CZ-CD1 3.85Å; Y195-W206 AromaticContact CZ-NE1 3.33Å; Y195-W206 VanDerWaalsContact CZ-NE1 3.33Å; Y195-W206 VanDerWaalsContact OH-CD1 3.27Å; Y195-W206 PolarHBondContact OH-NE1 3.36Å; Y195-W206 VanDerWaalsContact OH-NE1 3.13Å; Y195-N207 PolarHBondContact OH-OD1 2.89Å
196T84.2Confident80.8Confident68 Ų6874.1 Ų74.142%0.41738%0.381SS..EExtended strand (participates in β ladder)trans-123.2129.4174.4-51.40000108.1E189E189-T196 PolarHBondContact N-O 3.27Å; E189-T196 PolarHBondContact O-N 3.23Å
197C88.6Confident80.7Confident22 Ų2276.1 Ų76.115%0.14939%0.39CS..EExtended strand (participates in β ladder)trans-97.7124.5174.1-64.50000110.8C182 Y195 W206C182-C197 WeakPolarHBondContact CA-SG 3.46Å; C182-C197 HydrophobicContact CB-CB 3.69Å; C182-C197 WeakPolarHBondContact CB-SG 2.98Å; C182-C197 WeakPolarHBondContact SG-CA 3.24Å; C182-C197 WeakPolarHBondContact SG-CB 3.26Å; C182-C197 CovalentContact SG-SG 2.02Å; C182-C197 PolarHBondContact SG-SG 3.3Å; Y195-C197 VanDerWaalsContact CE2-SG 3.58Å; C197-W206 WeakPolarHBondContact CB-O 3.19Å; C197-W206 PolarHBondContact SG-O 3.39Å; C197-W206 VanDerWaalsContact SG-O 3.39Å
198K88.4Confident80.5Confident115 Ų11572 Ų7250%0.536%0.364SS..EExtended strand (participates in β ladder)trans-92.4101.9168.5-73.4178.7169.5171.30109G186 T187 E189G186-K198 CarbonylContact C-O 3.49Å; G186-K198 VanDerWaalsContact CA-O 3.29Å; G186-K198 WeakPolarHBondContact CA-O 3.08Å; T187-K198 PolarHBondContact N-O 2.04Å; T187-K198 PolarHBondContact O-N 2.02Å; E189-K198 VanDerWaalsContact CD-NZ 3.32Å; E189-K198 HydrophobicContact CG-CD 4.45Å; E189-K198 WeakPolarHBondContact OE1-CE 3.41Å; E189-K198 IonicContact OE1-NZ 3.42Å; E189-K198 PolarHBondContact OE1-NZ 3.31Å; E189-K198 WeakPolarHBondContact OE2-CE 3.02Å; E189-K198 IonicContact OE2-NZ 2.76Å; E189-K198 PolarHBondContact OE2-NZ 2.04Å
199C87.2Confident80.2Confident49 Ų4975.9 Ų75.933%0.33138%0.384SS..EExtended strand (participates in β ladder)trans-75144.8-177-52.60000113H185 C208H185-C199 WeakPolarHBondContact O-CA 3.44Å; C199-C208 WeakPolarHBondContact CA-SG 3.47Å; C199-C208 HydrophobicContact CB-CB 3.7Å; C199-C208 WeakPolarHBondContact CB-SG 3.42Å; C199-C208 PolarHBondContact N-SG 2.95Å; C199-C208 WeakPolarHBondContact SG-CA 3.42Å; C199-C208 WeakPolarHBondContact SG-CB 3.29Å; C199-C208 CovalentContact SG-SG 2.04Å; C199-C208 PolarHBondContact SG-SG 3.41Å
200E86.2Confident79.7Confident105 Ų10575.3 Ų75.349%0.49138%0.382SS..  trans-65160.3171.1-67.8-178.6159.900111.9H185 G202 Y203H185-E200 IonicContact ND1-OE2 3.12Å; H185-E200 PolarHBondContact ND1-OE2 3.49Å; H185-E200 PolarHBondContact O-N 2.72Å; E200-G202 PolarHBondContact O-N 2.84Å; E200-Y203 PolarHBondContact O-N 3.42Å; E200-Y203 VanDerWaalsContact O-N 3.14Å
201Q77.7Confident79.5Confident202 Ų20276.1 Ų76.194%0.94438%0.384SS*.THydrogen-bonded Turntrans-64.3112.2176.8-171.7174.614.700109.8
202G70.9Confident79.1Confident17 Ų1778.8 Ų78.818%0.17539%0.391CS..THydrogen-bonded Turntrans118-5.4-177.200000114.2E200 K212E200-G202 PolarHBondContact O-N 2.84Å; G202-K212 WeakPolarHBondContact O-CB 3.26Å; G202-K212 PolarHBondContact O-N 3.23Å
203Y81.3Confident78.9Confident61 Ų6175.9 Ų75.924%0.23938%0.376CS..EExtended strand (participates in β ladder)trans-123.5154.9177.2-66.5-94.2000112.1H185 E200 I210 E211 K212H185-Y203 HydrophobicContact CB-CD1 3.87Å; H185-Y203 HydrophobicContact CB-CD2 3.65Å; H185-Y203 HydrophobicContact CB-CE1 4.21Å; H185-Y203 HydrophobicContact CB-CE2 4Å; H185-Y203 HydrophobicContact CB-CG 3.59Å; H185-Y203 AromaticContact CD2-CD1 3.85Å; H185-Y203 AromaticContact CD2-CE1 3.37Å; H185-Y203 WeakPolarHBondContact CD2-CE1 3.03Å; H185-Y203 AromaticContact CD2-CZ 3.47Å; H185-Y203 VanDerWaalsContact CD2-CZ 3.47Å; H185-Y203 AromaticContact CE1-CE2 3.84Å; H185-Y203 AromaticContact CE1-CZ 3.57Å; H185-Y203 PolarHBondContact CE1-OH 3.37Å; H185-Y203 AromaticContact CG-CD1 3.87Å; H185-Y203 AromaticContact CG-CD2 3.74Å; H185-Y203 AromaticContact CG-CE1 3.67Å; H185-Y203 AromaticContact CG-CE2 3.54Å; H185-Y203 AromaticContact CG-CG 3.91Å; H185-Y203 AromaticContact CG-CZ 3.5Å; H185-Y203 AromaticContact ND1-CD2 3.97Å; H185-Y203 AromaticContact ND1-CE2 3.42Å; H185-Y203 WeakPolarHBondContact ND1-CE2 3.17Å; H185-Y203 AromaticContact ND1-CZ 3.57Å; H185-Y203 AromaticContact NE2-CE1 3.82Å; H185-Y203 AromaticContact NE2-CZ 3.54Å; H185-Y203 PolarHBondContact NE2-OH 3.13Å; E200-Y203 PolarHBondContact O-N 3.42Å; E200-Y203 VanDerWaalsContact O-N 3.14Å; Y203-I210 CarbonylContact C-O 3.26Å; Y203-I210 WeakPolarHBondContact CA-O 3.32Å; Y203-E211 HydrophobicContact CD1-CB 4.46Å; Y203-E211 HydrophobicContact CE1-CB 4.21Å; Y203-E211 HydrophobicContact CE1-CG 4.37Å; Y203-K212 VanDerWaalsContact O-CE 3.26Å; Y203-K212 WeakPolarHBondContact O-CE 3.21Å
204T77Confident78.8Confident56 Ų5675.8 Ų75.834%0.34437%0.373SS..EExtended strand (participates in β ladder)trans-146-176.8178.4-167.70000109.3C208 D209 I210 K212T204-C208 CarbonylContact O-C 3.15Å; T204-C208 WeakPolarHBondContact O-CA 3.42Å; T204-D209 PolarHBondContact O-N 2.73Å; T204-I210 HydrophobicContact CG2-CB 3.74Å; T204-I210 HydrophobicContact CG2-CG2 3.69Å; T204-I210 PolarHBondContact N-O 2.92Å; T204-I210 WeakPolarHBondContact O-CB 3.48Å; T204-I210 PolarHBondContact O-N 3.36Å; T204-K212 HydrophobicContact CG2-CG 4.12Å
205G78.6Confident78.6Confident27 Ų2771.8 Ų71.828%0.27836%0.36SS..SBendtrans93.8163.2-174.300000112.4N207 C208G205-N207 PolarHBondContact O-N 2.62Å; G205-C208 PolarHBondContact O-N 2.84Å
206W82.1Confident77.8Confident184 Ų18473.9 Ų73.970%0.69738%0.378SS*.THydrogen-bonded Turntrans-62.7-31.3-176.7-175.1-89.3000112.4Y195 C197Y195-W206 AromaticContact CE1-NE1 3.99Å; Y195-W206 AromaticContact CE2-NE1 3.67Å; Y195-W206 AromaticContact CZ-CD1 3.85Å; Y195-W206 AromaticContact CZ-NE1 3.33Å; Y195-W206 VanDerWaalsContact CZ-NE1 3.33Å; Y195-W206 VanDerWaalsContact OH-CD1 3.27Å; Y195-W206 PolarHBondContact OH-NE1 3.36Å; Y195-W206 VanDerWaalsContact OH-NE1 3.13Å; C197-W206 WeakPolarHBondContact CB-O 3.19Å; C197-W206 PolarHBondContact SG-O 3.39Å; C197-W206 VanDerWaalsContact SG-O 3.39Å
207N83.8Confident76.6Confident53 Ų5374.4 Ų74.428%0.28338%0.378SS..THydrogen-bonded Turntrans-111.114.5-179.9-69.5-23.4000112.8P181 C182 Y195 G205 D209P181-N207 VanDerWaalsContact O-CB 3.26Å; P181-N207 WeakPolarHBondContact O-CB 3.41Å; P181-N207 VanDerWaalsContact O-CG 3.25Å; P181-N207 PolarHBondContact O-OD1 3.02Å; C182-N207 CarbonylContact C-O 3.59Å; C182-N207 WeakPolarHBondContact CA-O 3.37Å; Y195-N207 PolarHBondContact OH-OD1 2.89Å; G205-N207 PolarHBondContact O-N 2.62Å; N207-D209 HydrophobicContact CB-CB 4.46Å; N207-D209 PolarHBondContact O-N 3.36Å
208C84Confident75.3Confident2 Ų277.5 Ų77.51%0.01439%0.391CS..SBendtrans56.631.4-175.9-48.60000113.8H185 C199 T204 G205H185-C208 HydrophobicContact CB-CB 4.47Å; H185-C208 WeakPolarHBondContact O-CB 3.05Å; C199-C208 WeakPolarHBondContact CA-SG 3.47Å; C199-C208 HydrophobicContact CB-CB 3.7Å; C199-C208 WeakPolarHBondContact CB-SG 3.42Å; C199-C208 PolarHBondContact N-SG 2.95Å; C199-C208 WeakPolarHBondContact SG-CA 3.42Å; C199-C208 WeakPolarHBondContact SG-CB 3.29Å; C199-C208 CovalentContact SG-SG 2.04Å; C199-C208 PolarHBondContact SG-SG 3.41Å; T204-C208 CarbonylContact O-C 3.15Å; T204-C208 WeakPolarHBondContact O-CA 3.42Å; G205-C208 PolarHBondContact O-N 2.84Å
209D82.5Confident74.2Confident111 Ų11179.2 Ų79.259%0.59441%0.405SS*.  trans-94.3-8.6-17557-41.5000113.4T204 N207T204-D209 PolarHBondContact O-N 2.73Å; N207-D209 HydrophobicContact CB-CB 4.46Å; N207-D209 PolarHBondContact O-N 3.36Å
210I75.8Confident73.4Confident72 Ų7278 Ų7837%0.36940%0.396SS..EExtended strand (participates in β ladder)trans-104.7114.4-178.4-54.8174.9000108.6Y203 T204 K212 N217Y203-I210 CarbonylContact C-O 3.26Å; Y203-I210 WeakPolarHBondContact CA-O 3.32Å; T204-I210 HydrophobicContact CG2-CB 3.74Å; T204-I210 HydrophobicContact CG2-CG2 3.69Å; T204-I210 PolarHBondContact N-O 2.92Å; T204-I210 WeakPolarHBondContact O-CB 3.48Å; T204-I210 PolarHBondContact O-N 3.36Å; I210-K212 PolarHBondContact O-N 2.92Å; I210-N217 WeakPolarHBondContact CG2-ND2 3.26Å
211E72.2Confident73.1Confident82 Ų8279.7 Ų79.738%0.38340%0.403SS..EExtended strand (participates in β ladder)trans-63.3132168.9-164.2-168.8-175.100109.4Y203 N213 R229Y203-E211 HydrophobicContact CD1-CB 4.46Å; Y203-E211 HydrophobicContact CE1-CB 4.21Å; Y203-E211 HydrophobicContact CE1-CG 4.37Å; E211-N213 PolarHBondContact O-N 2.76Å; E211-R229 IonicContact OE1-CZ 2.92Å; E211-R229 VanDerWaalsContact OE1-CZ 3.25Å; E211-R229 IonicContact OE1-NH1 3.43Å; E211-R229 PolarHBondContact OE1-NH1 3.43Å; E211-R229 IonicContact OE1-NH2 2.76Å; E211-R229 PolarHBondContact OE1-NH2 3.15Å; E211-R229 IonicContact OE2-CZ 2.92Å; E211-R229 IonicContact OE2-NH1 3.25Å; E211-R229 IonicContact OE2-NH2 3.67Å; E211-R229 PolarHBondContact OE2-NH2 2.89Å
212K65.2Low73.5Confident73 Ų7370.8 Ų70.832%0.31736%0.363SS..  trans-67100.9176.2-73.4-178.2165.7-147.80109.6G202 Y203 T204 I210 E218 Y235G202-K212 WeakPolarHBondContact O-CB 3.26Å; G202-K212 PolarHBondContact O-N 3.23Å; Y203-K212 VanDerWaalsContact O-CE 3.26Å; Y203-K212 WeakPolarHBondContact O-CE 3.21Å; T204-K212 HydrophobicContact CG2-CG 4.12Å; I210-K212 PolarHBondContact O-N 2.92Å; K212-E218 IonicContact NZ-OE1 3.82Å; K212-E218 PolarHBondContact NZ-OE1 3.49Å; K212-E218 VanDerWaalsContact NZ-OE1 3.12Å; K212-Y235 PolarHBondContact O-OH 3.5Å
213N65.4Low74.4Confident47 Ų4773.4 Ų73.425%0.25138%0.376SS..  trans-95.1113.6169.3-173.8-16.1000110E211 C215 T216 N217 Y235E211-N213 PolarHBondContact O-N 2.76Å; N213-C215 PolarHBondContact O-N 2.74Å; N213-C215 WeakPolarHBondContact OD1-CB 3.3Å; N213-C215 PolarHBondContact OD1-N 3.14Å; N213-C215 PolarHBondContact OD1-SG 3.19Å; N213-T216 WeakPolarHBondContact CB-OG1 3.36Å; N213-T216 PolarHBondContact O-N 3.05Å; N213-T216 VanDerWaalsContact O-N 3.15Å; N213-N217 PolarHBondContact O-N 2.8Å; N213-Y235 WeakPolarHBondContact CA-OH 3.42Å; N213-Y235 VanDerWaalsContact OD1-CE1 3.3Å; N213-Y235 WeakPolarHBondContact OD1-CE1 3.04Å
214K65.9Low74.7Confident70 Ų7073 Ų7330%0.30438%0.376SS..THydrogen-bonded Turntrans-64.2-23.6179.4-65.7-169.5178.1159.50112.9E218 L220 A233 Y235K214-E218 HydrophobicContact CG-CB 4.32Å; K214-L220 HydrophobicContact CB-CB 4.32Å; K214-L220 VanDerWaalsContact O-CB 3.26Å; K214-L220 WeakPolarHBondContact O-CB 3.2Å; K214-L220 PolarHBondContact O-N 3.06Å; K214-A233 WeakPolarHBondContact CE-O 3.39Å; K214-A233 PolarHBondContact NZ-O 2.87Å; K214-Y235 HydrophobicContact CB-CD1 4.25Å; K214-Y235 HydrophobicContact CB-CD2 3.53Å; K214-Y235 HydrophobicContact CB-CE2 4Å; K214-Y235 HydrophobicContact CB-CG 3.66Å; K214-Y235 HydrophobicContact CD-CD2 3.58Å; K214-Y235 HydrophobicContact CD-CE2 4.3Å; K214-Y235 HydrophobicContact CD-CG 4.25Å; K214-Y235 HydrophobicContact CG-CD2 3.43Å; K214-Y235 VanDerWaalsContact CG-CD2 3.43Å; K214-Y235 HydrophobicContact CG-CE2 3.77Å; K214-Y235 HydrophobicContact CG-CG 4.09Å
215C69.8Low75.3Confident44 Ų4470.9 Ų70.930%0.29737%0.365SS..THydrogen-bonded Turntrans-73.2-25.5176.9-51.10000113.2N213 C227 Y235N213-C215 PolarHBondContact O-N 2.74Å; N213-C215 WeakPolarHBondContact OD1-CB 3.3Å; N213-C215 PolarHBondContact OD1-N 3.14Å; N213-C215 PolarHBondContact OD1-SG 3.19Å; C215-C227 WeakPolarHBondContact CA-SG 3.41Å; C215-C227 HydrophobicContact CB-CB 3.64Å; C215-C227 WeakPolarHBondContact CB-SG 3.43Å; C215-C227 WeakPolarHBondContact SG-CB 3.47Å; C215-C227 CovalentContact SG-SG 2.03Å; C215-C227 PolarHBondContact SG-SG 2.86Å; C215-Y235 VanDerWaalsContact SG-CD1 3.54Å
216T66.3Low75.7Confident92 Ų9275.4 Ų75.456%0.56438%0.38SS*.THydrogen-bonded Turntrans-117.1-34.5-176.464.30000113.6N213N213-T216 WeakPolarHBondContact CB-OG1 3.36Å; N213-T216 PolarHBondContact O-N 3.05Å; N213-T216 VanDerWaalsContact O-N 3.15Å
217N60.2Low76Confident79 Ų7968.5 Ų68.542%0.42236%0.359SS..THydrogen-bonded Turntrans-115.4-18.1-165.3-64.5-7.4000114.3I210 N213I210-N217 WeakPolarHBondContact CG2-ND2 3.26Å; N213-N217 PolarHBondContact O-N 2.8Å
218E61.6Low76Confident87 Ų8768.4 Ų68.441%0.40736%0.361SS..SBendtrans-117.124.7178.5-61.3-167.7157.200113.3K212 K214 L220K212-E218 IonicContact NZ-OE1 3.82Å; K212-E218 PolarHBondContact NZ-OE1 3.49Å; K212-E218 VanDerWaalsContact NZ-OE1 3.12Å; K214-E218 HydrophobicContact CG-CB 4.32Å; E218-L220 VanDerWaalsContact C-N 3.34Å; E218-L220 PolarHBondContact O-N 3.26Å
219N64.4Low75.8Confident150 Ų15073.5 Ų73.580%0.80238%0.38SS*.  trans56.433.1172.2-66.4-26.3000115.9H221N219-H221 PolarHBondContact O-N 2.92Å
220L70.9Confident75.6Confident25 Ų2572 Ų7213%0.13137%0.374CS..  trans-7683.5166.6-170.467.4000109.3K214 E218 C222 L247K214-L220 HydrophobicContact CB-CB 4.32Å; K214-L220 VanDerWaalsContact O-CB 3.26Å; K214-L220 WeakPolarHBondContact O-CB 3.2Å; K214-L220 PolarHBondContact O-N 3.06Å; E218-L220 VanDerWaalsContact C-N 3.34Å; E218-L220 PolarHBondContact O-N 3.26Å; L220-C222 PolarHBondContact O-N 3.12Å; L220-L247 HydrophobicContact CD1-CD2 3.44Å; L220-L247 VanDerWaalsContact CD1-CD2 3.44Å; L220-L247 HydrophobicContact CG-CD2 4.47Å
221H80.6Confident75.4Confident139 Ų13975.2 Ų75.264%0.64439%0.386SS*.  trans-88.8101.7177.3-175.2-91.7000110.1N219N219-H221 PolarHBondContact O-N 2.92Å
222C86.2Confident75Confident16 Ų1679.9 Ų79.911%0.10841%0.407CS..  trans-74.6120.7170-49.10000108.6L220 G225 C237 L247L220-C222 PolarHBondContact O-N 3.12Å; C222-G225 VanDerWaalsContact CB-O 3.32Å; C222-G225 WeakPolarHBondContact CB-O 3.01Å; C222-C237 HydrophobicContact CB-CB 3.76Å; C222-C237 WeakPolarHBondContact CB-SG 3.01Å; C222-C237 VanDerWaalsContact SG-CA 3.58Å; C222-C237 WeakPolarHBondContact SG-CB 3.39Å; C222-C237 CovalentContact SG-SG 2.03Å; C222-C237 PolarHBondContact SG-SG 3.29Å; C222-L247 CarbonylContact C-O 3.5Å; C222-L247 WeakPolarHBondContact CA-O 3.3Å
223V88.4Confident74.9Confident72 Ų7279 Ų7944%0.43641%0.414SS..SBendtrans-70.8-54.8-176.8-175.20000110.3L247 D249V223-L247 PolarHBondContact N-O 2.98Å; V223-D249 HydrophobicContact CB-CB 4.48Å; V223-D249 HydrophobicContact CG2-CB 3.97Å
224H88.3Confident75.3Confident53 Ų5381.7 Ų81.725%0.24543%0.425CS..SBendtrans-121.858.3176.9-51.9105.7000111.2Y240 Y243 C248H224-Y240 HydrophobicContact CB-CD2 4.03Å; H224-Y240 WeakPolarHBondContact O-CD2 3.44Å; H224-Y240 PolarHBondContact O-N 2.87Å; H224-Y243 HydrophobicContact CB-CD1 3.95Å; H224-Y243 HydrophobicContact CB-CD2 3.43Å; H224-Y243 VanDerWaalsContact CB-CD2 3.43Å; H224-Y243 HydrophobicContact CB-CE1 4.26Å; H224-Y243 HydrophobicContact CB-CE2 3.76Å; H224-Y243 HydrophobicContact CB-CG 3.51Å; H224-Y243 AromaticContact CD2-CE2 3.99Å; H224-Y243 AromaticContact CD2-CZ 3.76Å; H224-Y243 AromaticContact CE1-CE1 3.47Å; H224-Y243 VanDerWaalsContact CE1-CE1 3.47Å; H224-Y243 WeakPolarHBondContact CE1-CE1 3.42Å; H224-Y243 AromaticContact CE1-CZ 3.81Å; H224-Y243 AromaticContact CG-CD1 3.76Å; H224-Y243 AromaticContact CG-CD2 3.85Å; H224-Y243 AromaticContact CG-CE1 3.66Å; H224-Y243 AromaticContact CG-CE2 3.72Å; H224-Y243 AromaticContact CG-CG 3.85Å; H224-Y243 AromaticContact CG-CZ 3.62Å; H224-Y243 AromaticContact ND1-CD1 3.33Å; H224-Y243 VanDerWaalsContact ND1-CD1 3.33Å; H224-Y243 WeakPolarHBondContact ND1-CD1 3.47Å; H224-Y243 AromaticContact ND1-CE1 3.23Å; H224-Y243 WeakPolarHBondContact ND1-CE1 3.23Å; H224-Y243 AromaticContact ND1-CG 3.87Å; H224-Y243 AromaticContact ND1-CZ 3.67Å; H224-Y243 AromaticContact NE2-CZ 3.9Å; H224-C248 HydrophobicContact CB-CB 4.32Å; H224-C248 WeakPolarHBondContact CB-O 3.32Å; H224-C248 PolarHBondContact N-O 2.86Å; H224-C248 PolarHBondContact ND1-O 3.11Å; H224-C248 VanDerWaalsContact ND1-O 3.08Å; H224-C248 VanDerWaalsContact O-CB 3.27Å; H224-C248 WeakPolarHBondContact O-CB 3.07Å
225G88.3Confident75.9Confident11 Ų1179.5 Ų79.511%0.11342%0.415CS..EExtended strand (participates in β ladder)trans-170.6175.5178.800000113.9C222 D238C222-G225 VanDerWaalsContact CB-O 3.32Å; C222-G225 WeakPolarHBondContact CB-O 3.01Å; G225-D238 CarbonylContact C-O 3.49Å; G225-D238 WeakPolarHBondContact CA-O 3.19Å
226M88.3Confident76.7Confident122 Ų12283 Ų8360%0.60143%0.425SS*.EExtended strand (participates in β ladder)trans-106.8130.5178.3-64.2-17470.800110.7T228 C237 D238 Y240M226-T228 PolarHBondContact O-N 3.12Å; M226-C237 WeakPolarHBondContact O-CA 3.47Å; M226-D238 PolarHBondContact N-O 3.23Å; M226-D238 PolarHBondContact O-N 2.03Å; M226-Y240 HydrophobicContact CG-CE1 4Å
227C87Confident77.8Confident38 Ų3878.8 Ų78.826%0.25740%0.399SS..EExtended strand (participates in β ladder)trans-76.8120.7175.4-179.30000110.3C215C215-C227 WeakPolarHBondContact CA-SG 3.41Å; C215-C227 HydrophobicContact CB-CB 3.64Å; C215-C227 WeakPolarHBondContact CB-SG 3.43Å; C215-C227 WeakPolarHBondContact SG-CB 3.47Å; C215-C227 CovalentContact SG-SG 2.03Å; C215-C227 PolarHBondContact SG-SG 2.86Å
228T85.1Confident79.2Confident51 Ų5179.1 Ų79.131%0.31340%0.401SS..EExtended strand (participates in β ladder)trans-124.3147.7-179.461.60000110.9M226 Y235 K236M226-T228 PolarHBondContact O-N 3.12Å; T228-Y235 VanDerWaalsContact O-CA 3.27Å; T228-Y235 WeakPolarHBondContact O-CA 3.27Å; T228-K236 PolarHBondContact N-O 2.03Å; T228-K236 PolarHBondContact O-N 3.48Å; T228-K236 PolarHBondContact OG1-O 2.84Å
229R78.7Confident80.7Confident110 Ų11077.1 Ų77.142%0.41540%0.397SS..EExtended strand (participates in β ladder)trans-84.8119.7173.7-173.4-174.4-73.3-166.42.8108.4E211 K231 Y235E211-R229 IonicContact OE1-CZ 2.92Å; E211-R229 VanDerWaalsContact OE1-CZ 3.25Å; E211-R229 IonicContact OE1-NH1 3.43Å; E211-R229 PolarHBondContact OE1-NH1 3.43Å; E211-R229 IonicContact OE1-NH2 2.76Å; E211-R229 PolarHBondContact OE1-NH2 3.15Å; E211-R229 IonicContact OE2-CZ 2.92Å; E211-R229 IonicContact OE2-NH1 3.25Å; E211-R229 IonicContact OE2-NH2 3.67Å; E211-R229 PolarHBondContact OE2-NH2 2.89Å; R229-K231 VanDerWaalsContact CG-O 3.3Å; R229-K231 WeakPolarHBondContact CG-O 3.27Å; R229-Y235 HydrophobicContact CB-CD1 3.99Å; R229-Y235 HydrophobicContact CB-CE1 3.84Å; R229-Y235 HydrophobicContact CG-CD1 4.4Å; R229-Y235 HydrophobicContact CG-CE1 4.07Å; R229-Y235 VanDerWaalsContact CZ-OH 3.3Å; R229-Y235 PolarHBondContact NE-OH 3.35Å; R229-Y235 VanDerWaalsContact NE-OH 3.11Å; R229-Y235 PolarHBondContact NH2-OH 3.2Å
230V79.5Confident82.1Confident79 Ų7976 Ų7648%0.47938%0.382SS..EExtended strand (participates in β ladder)trans-91.6-42.2179.1-173.90000110.6E234 K236V230-E234 PolarHBondContact N-O 3.43Å; V230-K236 HydrophobicContact CG2-CB 3.61Å
231K71.7Confident83Confident139 Ų13981.7 Ų81.760%0.60442%0.418SS*.EExtended strand (participates in β ladder)trans-146.2173.3175.8-63.5-177.7-174.4163.80110.1R229 A233 E234R229-K231 VanDerWaalsContact CG-O 3.3Å; R229-K231 WeakPolarHBondContact CG-O 3.27Å; K231-A233 PolarHBondContact O-N 3.46Å; K231-A233 VanDerWaalsContact O-N 3.12Å; K231-E234 HydrophobicContact CB-CB 4Å; K231-E234 PolarHBondContact N-O 2.96Å; K231-E234 PolarHBondContact O-N 2.85Å; K231-E234 VanDerWaalsContact O-O 3.13Å
232E62.7Low83.5Confident180 Ų18075.3 Ų75.384%0.84139%0.39SS*.THydrogen-bonded Turntrans-54118.2174.1-141.3166.2-166.400109.7E234E232-E234 VanDerWaalsContact C-N 3.26Å; E232-E234 PolarHBondContact O-N 2.85Å
233A63.9Low83.8Confident56 Ų5676.2 Ų76.246%0.46339%0.391SS..THydrogen-bonded Turntrans63.94.4-171.500000118.3K214 K231K214-A233 WeakPolarHBondContact CE-O 3.39Å; K214-A233 PolarHBondContact NZ-O 2.87Å; K231-A233 PolarHBondContact O-N 3.46Å; K231-A233 VanDerWaalsContact O-N 3.12Å
234E73Confident84Confident102 Ų10275.9 Ų75.948%0.47739%0.389SS..EExtended strand (participates in β ladder)trans-108.9122.2177.2-167.2177.7-172.200111.5V230 K231 E232V230-E234 PolarHBondContact N-O 3.43Å; K231-E234 HydrophobicContact CB-CB 4Å; K231-E234 PolarHBondContact N-O 2.96Å; K231-E234 PolarHBondContact O-N 2.85Å; K231-E234 VanDerWaalsContact O-O 3.13Å; E232-E234 VanDerWaalsContact C-N 3.26Å; E232-E234 PolarHBondContact O-N 2.85Å
235Y78.4Confident84Confident24 Ų2474.6 Ų74.69%0.09439%0.39CS..EExtended strand (participates in β ladder)trans-129142.5-176-63.5-104.4000110.1K212 N213 K214 C215 T228 R229K212-Y235 PolarHBondContact O-OH 3.5Å; N213-Y235 WeakPolarHBondContact CA-OH 3.42Å; N213-Y235 VanDerWaalsContact OD1-CE1 3.3Å; N213-Y235 WeakPolarHBondContact OD1-CE1 3.04Å; K214-Y235 HydrophobicContact CB-CD1 4.25Å; K214-Y235 HydrophobicContact CB-CD2 3.53Å; K214-Y235 HydrophobicContact CB-CE2 4Å; K214-Y235 HydrophobicContact CB-CG 3.66Å; K214-Y235 HydrophobicContact CD-CD2 3.58Å; K214-Y235 HydrophobicContact CD-CE2 4.3Å; K214-Y235 HydrophobicContact CD-CG 4.25Å; K214-Y235 HydrophobicContact CG-CD2 3.43Å; K214-Y235 VanDerWaalsContact CG-CD2 3.43Å; K214-Y235 HydrophobicContact CG-CE2 3.77Å; K214-Y235 HydrophobicContact CG-CG 4.09Å; C215-Y235 VanDerWaalsContact SG-CD1 3.54Å; T228-Y235 VanDerWaalsContact O-CA 3.27Å; T228-Y235 WeakPolarHBondContact O-CA 3.27Å; R229-Y235 HydrophobicContact CB-CD1 3.99Å; R229-Y235 HydrophobicContact CB-CE1 3.84Å; R229-Y235 HydrophobicContact CG-CD1 4.4Å; R229-Y235 HydrophobicContact CG-CE1 4.07Å; R229-Y235 VanDerWaalsContact CZ-OH 3.3Å; R229-Y235 PolarHBondContact NE-OH 3.35Å; R229-Y235 VanDerWaalsContact NE-OH 3.11Å; R229-Y235 PolarHBondContact NH2-OH 3.2Å
236K86.4Confident84Confident117 Ų11784.2 Ų84.251%0.50942%0.423SS..EExtended strand (participates in β ladder)trans-135.1150.9-178.4-174.9-166.4166.4-154.20109.3T228 V230 D238T228-K236 PolarHBondContact N-O 2.03Å; T228-K236 PolarHBondContact O-N 3.48Å; T228-K236 PolarHBondContact OG1-O 2.84Å; V230-K236 HydrophobicContact CG2-CB 3.61Å; K236-D238 IonicContact NZ-OD1 3.86Å
237C89.6Confident84Confident4 Ų481.3 Ų81.33%0.02741%0.41CS..EExtended strand (participates in β ladder)trans-84.6123.7165.5-61.50000110.1C222 M226 R246 C248C222-C237 HydrophobicContact CB-CB 3.76Å; C222-C237 WeakPolarHBondContact CB-SG 3.01Å; C222-C237 VanDerWaalsContact SG-CA 3.58Å; C222-C237 WeakPolarHBondContact SG-CB 3.39Å; C222-C237 CovalentContact SG-SG 2.03Å; C222-C237 PolarHBondContact SG-SG 3.29Å; M226-C237 WeakPolarHBondContact O-CA 3.47Å; C237-R246 PolarHBondContact SG-O 2.93Å; C237-C248 WeakPolarHBondContact CB-SG 3.22Å
238D90.9Very high84.2Confident87 Ų8779.5 Ų79.547%0.46540%0.397SS..EExtended strand (participates in β ladder)trans-85.8108161.9-97.5-18.6000108.5G225 M226 K236G225-D238 CarbonylContact C-O 3.49Å; G225-D238 WeakPolarHBondContact CA-O 3.19Å; M226-D238 PolarHBondContact N-O 3.23Å; M226-D238 PolarHBondContact O-N 2.03Å; K236-D238 IonicContact NZ-OD1 3.86Å
239C92.7Very high84.5Confident45 Ų4581.2 Ų81.230%0.30441%0.405SS..EExtended strand (participates in β ladder)trans-74.1143.3-175.6-55.80000111.9Y243 C248C239-Y243 WeakPolarHBondContact CB-O 3.01Å; C239-C248 WeakPolarHBondContact CA-SG 3.5Å; C239-C248 HydrophobicContact CB-CB 3.67Å; C239-C248 WeakPolarHBondContact CB-SG 3.36Å; C239-C248 WeakPolarHBondContact SG-CA 3.33Å; C239-C248 WeakPolarHBondContact SG-CB 3.05Å; C239-C248 CovalentContact SG-SG 2.04Å; C239-C248 PolarHBondContact SG-SG 3.13Å
240Y93Very high85.2Confident126 Ų12681.2 Ų81.249%0.49441%0.409SS..PPolyproline II helixtrans-63.6153.7167.3-57.6-37.3000110H224 M226 G242 Y243H224-Y240 HydrophobicContact CB-CD2 4.03Å; H224-Y240 WeakPolarHBondContact O-CD2 3.44Å; H224-Y240 PolarHBondContact O-N 2.87Å; M226-Y240 HydrophobicContact CG-CE1 4Å; Y240-G242 PolarHBondContact O-N 2.04Å; Y240-Y243 PolarHBondContact O-N 2.87Å; Y240-Y243 VanDerWaalsContact O-N 3.13Å
241T90.3Very high85.8Confident144 Ų14479.6 Ų79.688%0.88340%0.398SS*.THydrogen-bonded Turntrans-53.1132.6173.8-51.90000109.9
242G90.2Very high86.8Confident5 Ų576 Ų765%0.05239%0.385CS..THydrogen-bonded Turntrans96.9-7.5-17600000114.9Y240 I252Y240-G242 PolarHBondContact O-N 2.04Å; G242-I252 WeakPolarHBondContact O-CB 3.1Å; G242-I252 PolarHBondContact O-N 3.47Å
243Y94.3Very high88.3Confident36 Ų3671.2 Ų71.214%0.14137%0.365CS..EExtended strand (participates in β ladder)trans-124.7148.9-178.6-62.5-80.8000113.3H224 C239 Y240 E250 G272H224-Y243 HydrophobicContact CB-CD1 3.95Å; H224-Y243 HydrophobicContact CB-CD2 3.43Å; H224-Y243 VanDerWaalsContact CB-CD2 3.43Å; H224-Y243 HydrophobicContact CB-CE1 4.26Å; H224-Y243 HydrophobicContact CB-CE2 3.76Å; H224-Y243 HydrophobicContact CB-CG 3.51Å; H224-Y243 AromaticContact CD2-CE2 3.99Å; H224-Y243 AromaticContact CD2-CZ 3.76Å; H224-Y243 AromaticContact CE1-CE1 3.47Å; H224-Y243 VanDerWaalsContact CE1-CE1 3.47Å; H224-Y243 WeakPolarHBondContact CE1-CE1 3.42Å; H224-Y243 AromaticContact CE1-CZ 3.81Å; H224-Y243 AromaticContact CG-CD1 3.76Å; H224-Y243 AromaticContact CG-CD2 3.85Å; H224-Y243 AromaticContact CG-CE1 3.66Å; H224-Y243 AromaticContact CG-CE2 3.72Å; H224-Y243 AromaticContact CG-CG 3.85Å; H224-Y243 AromaticContact CG-CZ 3.62Å; H224-Y243 AromaticContact ND1-CD1 3.33Å; H224-Y243 VanDerWaalsContact ND1-CD1 3.33Å; H224-Y243 WeakPolarHBondContact ND1-CD1 3.47Å; H224-Y243 AromaticContact ND1-CE1 3.23Å; H224-Y243 WeakPolarHBondContact ND1-CE1 3.23Å; H224-Y243 AromaticContact ND1-CG 3.87Å; H224-Y243 AromaticContact ND1-CZ 3.67Å; H224-Y243 AromaticContact NE2-CZ 3.9Å; C239-Y243 WeakPolarHBondContact CB-O 3.01Å; Y240-Y243 PolarHBondContact O-N 2.87Å; Y240-Y243 VanDerWaalsContact O-N 3.13Å; Y243-E250 CarbonylContact C-O 3.39Å; Y243-E250 WeakPolarHBondContact CA-O 3.33Å; Y243-G272 VanDerWaalsContact CZ-CA 3.46Å; Y243-G272 WeakPolarHBondContact OH-CA 3.5Å; Y243-G272 PolarHBondContact OH-N 3.08Å
244T91.4Very high89.6Confident65 Ų6570.4 Ų70.440%0.39935%0.352SS..EExtended strand (participates in β ladder)trans-138.2-176179.5-167.20000111.2C248 D249 E250 I252T244-C248 CarbonylContact O-C 3.47Å; T244-C248 WeakPolarHBondContact O-CA 3.44Å; T244-D249 PolarHBondContact O-N 3.35Å; T244-E250 HydrophobicContact CG2-CB 3.68Å; T244-E250 PolarHBondContact N-O 3.39Å; T244-E250 PolarHBondContact O-N 3.2Å; T244-I252 HydrophobicContact CG2-CG1 3.98Å
245G89.6Confident90.5Very high26 Ų2666.9 Ų66.927%0.26834%0.338SS..SBendtrans91.2171.9-176.500000112.7L247G245-L247 VanDerWaalsContact C-N 3.28Å; G245-L247 PolarHBondContact O-N 3.42Å
246R87.9Confident91.1Very high213 Ų21370.2 Ų70.280%0.80437%0.365SS*.SBendtrans-68-30.2-177.8177.9176.9168.9175.9-4.1112.3C237C237-R246 PolarHBondContact SG-O 2.93Å
247L88Confident91.2Very high60 Ų6068.8 Ų68.831%0.31436%0.363SS..SBendtrans-111.18.4-177.7-58.7178.5000112.6L220 C222 V223 G245 D249L220-L247 HydrophobicContact CD1-CD2 3.44Å; L220-L247 VanDerWaalsContact CD1-CD2 3.44Å; L220-L247 HydrophobicContact CG-CD2 4.47Å; C222-L247 CarbonylContact C-O 3.5Å; C222-L247 WeakPolarHBondContact CA-O 3.3Å; V223-L247 PolarHBondContact N-O 2.98Å; G245-L247 VanDerWaalsContact C-N 3.28Å; G245-L247 PolarHBondContact O-N 3.42Å; L247-D249 HydrophobicContact CB-CB 4.39Å; L247-D249 PolarHBondContact O-N 2.69Å
248C91.6Very high90.9Very high0 Ų075 Ų750%040%0.4CS..SBendtrans56.537.7-175.5-45.40000112.3H224 C237 C239 T244H224-C248 HydrophobicContact CB-CB 4.32Å; H224-C248 WeakPolarHBondContact CB-O 3.32Å; H224-C248 PolarHBondContact N-O 2.86Å; H224-C248 PolarHBondContact ND1-O 3.11Å; H224-C248 VanDerWaalsContact ND1-O 3.08Å; H224-C248 VanDerWaalsContact O-CB 3.27Å; H224-C248 WeakPolarHBondContact O-CB 3.07Å; C237-C248 WeakPolarHBondContact CB-SG 3.22Å; C239-C248 WeakPolarHBondContact CA-SG 3.5Å; C239-C248 HydrophobicContact CB-CB 3.67Å; C239-C248 WeakPolarHBondContact CB-SG 3.36Å; C239-C248 WeakPolarHBondContact SG-CA 3.33Å; C239-C248 WeakPolarHBondContact SG-CB 3.05Å; C239-C248 CovalentContact SG-SG 2.04Å; C239-C248 PolarHBondContact SG-SG 3.13Å; T244-C248 CarbonylContact O-C 3.47Å; T244-C248 WeakPolarHBondContact O-CA 3.44Å
249D91.1Very high90.7Very high87 Ų8774.6 Ų74.647%0.46541%0.405SS..  trans-102.4-12-176.857.2-42000112.9V223 T244 L247V223-D249 HydrophobicContact CB-CB 4.48Å; V223-D249 HydrophobicContact CG2-CB 3.97Å; T244-D249 PolarHBondContact O-N 3.35Å; L247-D249 HydrophobicContact CB-CB 4.39Å; L247-D249 PolarHBondContact O-N 2.69Å
250E92.4Very high90.6Very high110 Ų11073.1 Ų73.151%0.51439%0.394SS..EExtended strand (participates in β ladder)trans-97.2129177.5-62.8173.9179.900109.6Y243 T244Y243-E250 CarbonylContact C-O 3.39Å; Y243-E250 WeakPolarHBondContact CA-O 3.33Å; T244-E250 HydrophobicContact CG2-CB 3.68Å; T244-E250 PolarHBondContact N-O 3.39Å; T244-E250 PolarHBondContact O-N 3.2Å
251D93.5Very high90.4Very high46 Ų4667.2 Ų67.225%0.24637%0.371CS..EExtended strand (participates in β ladder)trans-75133.3171.6-175.650.9000110N253 N269 G272D251-N253 PolarHBondContact O-N 2.92Å; D251-N269 PolarHBondContact OD2-ND2 2.93Å; D251-G272 WeakPolarHBondContact OD1-CA 3.15Å; D251-G272 PolarHBondContact OD1-N 3.25Å
252I93Very high90.2Very high64 Ų6462 Ų6233%0.32835%0.346SS..PPolyproline II helixtrans-73.8126.1174.1-66175.2000107.4G242 T244 E254 N269G242-I252 WeakPolarHBondContact O-CB 3.1Å; G242-I252 PolarHBondContact O-N 3.47Å; T244-I252 HydrophobicContact CG2-CG1 3.98Å; I252-E254 HydrophobicContact CG2-CG 4.04Å; I252-E254 PolarHBondContact O-N 2.8Å; I252-E254 VanDerWaalsContact O-N 3.15Å; I252-N269 PolarHBondContact O-OD1 2.76Å
253N92.4Very high89.9Confident78 Ų7873.6 Ų73.642%0.41739%0.388SS..  trans-83.687.1171-176.20.7000110.3D251 C255 S256 N269D251-N253 PolarHBondContact O-N 2.92Å; N253-C255 PolarHBondContact O-N 3.16Å; N253-C255 WeakPolarHBondContact OD1-CB 3.47Å; N253-C255 PolarHBondContact OD1-N 2.73Å; N253-S256 WeakPolarHBondContact O-CB 3.37Å; N253-S256 PolarHBondContact O-N 2.89Å; N253-S256 VanDerWaalsContact O-N 3.08Å; N253-S256 PolarHBondContact O-OG 3.24Å; N253-N269 WeakPolarHBondContact CA-OD1 3.08Å
254E92Very high89.6Confident39 Ų3973.4 Ų73.418%0.18239%0.39CS..G310 helixtrans-64.7-22.5-179.4-61.388.2175.900112.6I252 S256 D257 I260 N269 S273 F274I252-E254 HydrophobicContact CG2-CG 4.04Å; I252-E254 PolarHBondContact O-N 2.8Å; I252-E254 VanDerWaalsContact O-N 3.15Å; E254-S256 PolarHBondContact O-N 3.41Å; E254-S256 VanDerWaalsContact O-N 3.11Å; E254-D257 PolarHBondContact O-N 3.15Å; E254-I260 HydrophobicContact CB-CD1 3.66Å; E254-I260 HydrophobicContact CG-CD1 4.5Å; E254-N269 PolarHBondContact N-OD1 3.45Å; E254-N269 PolarHBondContact OE2-OD1 2.97Å; E254-S273 VanDerWaalsContact OE2-C 3.26Å; E254-F274 HydrophobicContact CB-CB 4.11Å; E254-F274 HydrophobicContact CB-CD1 3.83Å; E254-F274 HydrophobicContact CB-CG 4.16Å; E254-F274 HydrophobicContact CG-CD1 3.99Å
255C92.1Very high89.5Confident28 Ų2871.3 Ų71.319%0.18938%0.381CS..G310 helixtrans-70.1-2.8174.9-57.90000114.3N253 D257 C267 R268 N269N253-C255 PolarHBondContact O-N 3.16Å; N253-C255 WeakPolarHBondContact OD1-CB 3.47Å; N253-C255 PolarHBondContact OD1-N 2.73Å; C255-D257 PolarHBondContact O-N 3.43Å; C255-C267 WeakPolarHBondContact CA-SG 3.36Å; C255-C267 HydrophobicContact CB-CB 3.66Å; C255-C267 WeakPolarHBondContact CB-SG 3.04Å; C255-C267 WeakPolarHBondContact SG-CB 3.2Å; C255-C267 CovalentContact SG-SG 2.03Å; C255-C267 PolarHBondContact SG-SG 3.4Å; C255-R268 PolarHBondContact SG-N 3.1Å; C255-R268 VanDerWaalsContact SG-N 3.4Å; C255-N269 PolarHBondContact SG-N 3.23Å
256S90Very high89.6Confident94 Ų9476.2 Ų76.266%0.65740%0.397SS*.G310 helixtrans-64.4-26.7166.6-51.10000111.4N253 E254N253-S256 WeakPolarHBondContact O-CB 3.37Å; N253-S256 PolarHBondContact O-N 2.89Å; N253-S256 VanDerWaalsContact O-N 3.08Å; N253-S256 PolarHBondContact O-OG 3.24Å; E254-S256 PolarHBondContact O-N 3.41Å; E254-S256 VanDerWaalsContact O-N 3.11Å
257D88.4Confident89.9Confident88 Ų8867.2 Ų67.247%0.47137%0.366SS..SBendtrans-88.5104.5167.4-173.9-9.5000109.6E254 C255 S259 I260E254-D257 PolarHBondContact O-N 3.15Å; C255-D257 PolarHBondContact O-N 3.43Å; D257-S259 VanDerWaalsContact CG-OG 3.29Å; D257-S259 PolarHBondContact O-N 3.32Å; D257-S259 VanDerWaalsContact O-N 3.11Å; D257-S259 WeakPolarHBondContact OD1-CB 3.34Å; D257-S259 PolarHBondContact OD1-N 2.82Å; D257-S259 PolarHBondContact OD1-OG 2.03Å; D257-S259 PolarHBondContact OD2-OG 2.8Å; D257-I260 WeakPolarHBondContact O-CG2 3.47Å; D257-I260 PolarHBondContact O-N 2.87Å
258T83.3Confident90.1Very high133 Ų13370.1 Ų70.182%0.81637%0.373SS*.THydrogen-bonded Turntrans-68-9.2-178.657.10000113.5
259S87.2Confident90.2Very high79 Ų7972.7 Ų72.755%0.55239%0.387SS*.THydrogen-bonded Turntrans-86.8-818072.40000113.8D257 C261 G262D257-S259 VanDerWaalsContact CG-OG 3.29Å; D257-S259 PolarHBondContact O-N 3.32Å; D257-S259 VanDerWaalsContact O-N 3.11Å; D257-S259 WeakPolarHBondContact OD1-CB 3.34Å; D257-S259 PolarHBondContact OD1-N 2.82Å; D257-S259 PolarHBondContact OD1-OG 2.03Å; D257-S259 PolarHBondContact OD2-OG 2.8Å; S259-C261 PolarHBondContact O-N 3.19Å; S259-G262 PolarHBondContact O-N 2.83Å; S259-G262 VanDerWaalsContact O-N 3.12Å
260I90.1Very high90.2Very high14 Ų1470.6 Ų70.67%0.07238%0.377CS..THydrogen-bonded Turntrans-66.1-37.5-166.7-157.5169.1000114.4E254 D257 C267 F274 R286E254-I260 HydrophobicContact CB-CD1 3.66Å; E254-I260 HydrophobicContact CG-CD1 4.5Å; D257-I260 WeakPolarHBondContact O-CG2 3.47Å; D257-I260 PolarHBondContact O-N 2.87Å; I260-C267 HydrophobicContact CG2-CB 4.02Å; I260-C267 WeakPolarHBondContact CG2-SG 3.35Å; I260-F274 HydrophobicContact CD1-CD1 3.59Å; I260-F274 HydrophobicContact CD1-CD2 3.8Å; I260-F274 HydrophobicContact CD1-CE1 3.44Å; I260-F274 VanDerWaalsContact CD1-CE1 3.44Å; I260-F274 HydrophobicContact CD1-CE2 3.66Å; I260-F274 HydrophobicContact CD1-CG 3.78Å; I260-F274 HydrophobicContact CD1-CZ 3.48Å; I260-F274 VanDerWaalsContact CD1-CZ 3.48Å; I260-F274 HydrophobicContact CG1-CD2 4.11Å; I260-F274 HydrophobicContact CG1-CE1 4.19Å; I260-F274 HydrophobicContact CG1-CE2 3.64Å; I260-F274 HydrophobicContact CG1-CZ 3.69Å; I260-F274 HydrophobicContact CG2-CD2 4.26Å; I260-F274 HydrophobicContact CG2-CE2 4.45Å; I260-R286 WeakPolarHBondContact O-CB 3.46Å; I260-R286 WeakPolarHBondContact O-CG 3.44Å
261C90.1Very high90.2Very high2 Ų271 Ų711%0.01438%0.382CS..THydrogen-bonded Turntrans-97.116.1177.1-59.20000112.9S259 G265 C267 C276 R286S259-C261 PolarHBondContact O-N 3.19Å; C261-G265 PolarHBondContact O-N 3.22Å; C261-C267 WeakPolarHBondContact SG-CA 3.47Å; C261-C267 WeakPolarHBondContact SG-CB 3.44Å; C261-C276 WeakPolarHBondContact CA-SG 3.4Å; C261-C276 HydrophobicContact CB-CB 3.65Å; C261-C276 WeakPolarHBondContact CB-SG 3.34Å; C261-C276 WeakPolarHBondContact SG-CA 2.9Å; C261-C276 WeakPolarHBondContact SG-CB 3.4Å; C261-C276 CovalentContact SG-SG 2.02Å; C261-C276 PolarHBondContact SG-SG 3.29Å; C261-R286 CarbonylContact C-O 3.43Å; C261-R286 WeakPolarHBondContact CA-O 3.36Å; C261-R286 VanDerWaalsContact O-O 3.07Å
262G85.9Confident90Very high35 Ų3569.7 Ų69.736%0.36138%0.38SS..  trans58.8-157.3-172.900000112.9S259S259-G262 PolarHBondContact O-N 2.83Å; S259-G262 VanDerWaalsContact O-N 3.12Å
263W84.3Confident89.9Confident248 Ų24869.2 Ų69.294%0.93938%0.383SS*.SBendtrans-89.1-10.5177.4-65.387000113.1
264N86.7Confident89.9Confident32 Ų3267.6 Ų67.617%0.17137%0.372CS..SBendtrans-106.319.1-172.9-51.8-51.6000112.5C278 E279 F282 C287 R309N264-C278 CarbonylContact O-C 3.5Å; N264-C278 WeakPolarHBondContact O-CA 3.48Å; N264-E279 PolarHBondContact O-N 3.08Å; N264-F282 HydrophobicContact CB-CB 4.07Å; N264-F282 HydrophobicContact CB-CD1 3.85Å; N264-F282 HydrophobicContact CB-CD2 3.67Å; N264-F282 HydrophobicContact CB-CE1 4.23Å; N264-F282 HydrophobicContact CB-CE2 4.07Å; N264-F282 HydrophobicContact CB-CG 3.55Å; N264-F282 HydrophobicContact CB-CZ 4.32Å; N264-F282 VanDerWaalsContact ND2-CD1 3.28Å; N264-F282 WeakPolarHBondContact ND2-CD1 3.27Å; N264-F282 WeakPolarHBondContact ND2-CE1 2.99Å; N264-C287 HydrophobicContact CB-CB 4.33Å; N264-R309 PolarHBondContact OD1-NH2 3.24Å
265G89.9Confident90Very high21 Ų2171.3 Ų71.322%0.21639%0.387CS..EExtended strand (participates in β ladder)trans-154.6147.4-17700000114C261 E277C261-G265 PolarHBondContact O-N 3.22Å; G265-E277 CarbonylContact C-O 3.51Å; G265-E277 VanDerWaalsContact CA-O 3.29Å; G265-E277 WeakPolarHBondContact CA-O 3.21Å
266H91.9Very high90.1Very high130 Ų13070.7 Ų70.760%0.60238%0.383SS*.EExtended strand (participates in β ladder)trans-96.2124.8172.4-176.2-77.1000110.2E277H266-E277 PolarHBondContact N-O 3.49Å; H266-E277 PolarHBondContact O-N 3.18Å
267C93.7Very high90.2Very high24 Ų2470.7 Ų70.716%0.16237%0.373CS..EExtended strand (participates in β ladder)trans-78.6132.8179.4-169.10000111.9C255 I260 C261C255-C267 WeakPolarHBondContact CA-SG 3.36Å; C255-C267 HydrophobicContact CB-CB 3.66Å; C255-C267 WeakPolarHBondContact CB-SG 3.04Å; C255-C267 WeakPolarHBondContact SG-CB 3.2Å; C255-C267 CovalentContact SG-SG 2.03Å; C255-C267 PolarHBondContact SG-SG 3.4Å; I260-C267 HydrophobicContact CG2-CB 4.02Å; I260-C267 WeakPolarHBondContact CG2-SG 3.35Å; C261-C267 WeakPolarHBondContact SG-CA 3.47Å; C261-C267 WeakPolarHBondContact SG-CB 3.44Å
268R93.2Very high90.5Very high121 Ų12168.7 Ų68.746%0.45737%0.365SS..EExtended strand (participates in β ladder)trans-123.2119170.7-169.4-174.376.1152.85.4110.3C255 K275C255-R268 PolarHBondContact SG-N 3.1Å; C255-R268 VanDerWaalsContact SG-N 3.4Å; R268-K275 PolarHBondContact N-O 2.89Å; R268-K275 PolarHBondContact O-N 2.84Å
269N92.4Very high90.8Very high54 Ų5467 Ų6729%0.28935%0.348SS..EExtended strand (participates in β ladder)trans-69.7135176.9-164.559.6000110.8D251 I252 N253 E254 C255D251-N269 PolarHBondContact OD2-ND2 2.93Å; I252-N269 PolarHBondContact O-OD1 2.76Å; N253-N269 WeakPolarHBondContact CA-OD1 3.08Å; E254-N269 PolarHBondContact N-OD1 3.45Å; E254-N269 PolarHBondContact OE2-OD1 2.97Å; C255-N269 PolarHBondContact SG-N 3.23Å
270V92Very high90.9Very high42 Ų4267.5 Ų67.526%0.25535%0.351SS..EExtended strand (participates in β ladder)trans-131151.5176.6-64.30000109.4G272 S273 K275V270-G272 PolarHBondContact O-N 3.05Å; V270-S273 CarbonylContact C-O 3.5Å; V270-S273 VanDerWaalsContact CG2-C 3.42Å; V270-S273 WeakPolarHBondContact CG2-O 3.35Å; V270-S273 PolarHBondContact N-O 3.4Å; V270-S273 CarbonylContact O-C 3.52Å; V270-S273 PolarHBondContact O-N 3.4Å; V270-K275 HydrophobicContact CG1-CB 4.39Å
271N91.9Very high90.8Very high118 Ų11867.2 Ų67.263%0.63135%0.352SS*.THydrogen-bonded Turntrans-60.7115.9-176.3-172.140.9000111.8
272G88.5Confident90.9Very high19 Ų1968.4 Ų68.420%0.19636%0.357CS..THydrogen-bonded Turntrans86.72.1-176.800000115.5Y243 D251 V270Y243-G272 VanDerWaalsContact CZ-CA 3.46Å; Y243-G272 WeakPolarHBondContact OH-CA 3.5Å; Y243-G272 PolarHBondContact OH-N 3.08Å; D251-G272 WeakPolarHBondContact OD1-CA 3.15Å; D251-G272 PolarHBondContact OD1-N 3.25Å; V270-G272 PolarHBondContact O-N 3.05Å
273S92Very high91Very high55 Ų5571.2 Ų71.239%0.38536%0.36SS..EExtended strand (participates in β ladder)trans-169.3-168.2-176.9-156.60000113.7E254 V270E254-S273 VanDerWaalsContact OE2-C 3.26Å; V270-S273 CarbonylContact C-O 3.5Å; V270-S273 VanDerWaalsContact CG2-C 3.42Å; V270-S273 WeakPolarHBondContact CG2-O 3.35Å; V270-S273 PolarHBondContact N-O 3.4Å; V270-S273 CarbonylContact O-C 3.52Å; V270-S273 PolarHBondContact O-N 3.4Å
274F92.2Very high91.3Very high44 Ų4460.9 Ų60.919%0.19333%0.331CS..EExtended strand (participates in β ladder)trans-130.2159.5171.165.3-79000110.4E254 I260 R286E254-F274 HydrophobicContact CB-CB 4.11Å; E254-F274 HydrophobicContact CB-CD1 3.83Å; E254-F274 HydrophobicContact CB-CG 4.16Å; E254-F274 HydrophobicContact CG-CD1 3.99Å; I260-F274 HydrophobicContact CD1-CD1 3.59Å; I260-F274 HydrophobicContact CD1-CD2 3.8Å; I260-F274 HydrophobicContact CD1-CE1 3.44Å; I260-F274 VanDerWaalsContact CD1-CE1 3.44Å; I260-F274 HydrophobicContact CD1-CE2 3.66Å; I260-F274 HydrophobicContact CD1-CG 3.78Å; I260-F274 HydrophobicContact CD1-CZ 3.48Å; I260-F274 VanDerWaalsContact CD1-CZ 3.48Å; I260-F274 HydrophobicContact CG1-CD2 4.11Å; I260-F274 HydrophobicContact CG1-CE1 4.19Å; I260-F274 HydrophobicContact CG1-CE2 3.64Å; I260-F274 HydrophobicContact CG1-CZ 3.69Å; I260-F274 HydrophobicContact CG2-CD2 4.26Å; I260-F274 HydrophobicContact CG2-CE2 4.45Å; F274-R286 HydrophobicContact CE2-CG 4.37Å; F274-R286 HydrophobicContact CZ-CG 4.48Å
275K93.4Very high91.4Very high116 Ų11666.3 Ų66.350%0.50436%0.359SS..EExtended strand (participates in β ladder)trans-129.5127.8172.5-174.7176.7-178.1-177.20109.4R268 V270R268-K275 PolarHBondContact N-O 2.89Å; R268-K275 PolarHBondContact O-N 2.84Å; V270-K275 HydrophobicContact CG1-CB 4.39Å
276C94.5Very high91.5Very high15 Ų1571 Ų7110%0.10137%0.371CS..EExtended strand (participates in β ladder)trans-89.2130171.8-610000110.4C261 D285 C287C261-C276 WeakPolarHBondContact CA-SG 3.4Å; C261-C276 HydrophobicContact CB-CB 3.65Å; C261-C276 WeakPolarHBondContact CB-SG 3.34Å; C261-C276 WeakPolarHBondContact SG-CA 2.9Å; C261-C276 WeakPolarHBondContact SG-CB 3.4Å; C261-C276 CovalentContact SG-SG 2.02Å; C261-C276 PolarHBondContact SG-SG 3.29Å; C276-D285 WeakPolarHBondContact CB-O 3.47Å; C276-D285 PolarHBondContact SG-O 3.2Å; C276-C287 VanDerWaalsContact CB-SG 3.57Å
277E93.3Very high91.5Very high95 Ų9564.9 Ų64.944%0.44434%0.342SS..EExtended strand (participates in β ladder)trans-98.9100.4170.7-66.6177.8179.500107.4G265 H266G265-E277 CarbonylContact C-O 3.51Å; G265-E277 VanDerWaalsContact CA-O 3.29Å; G265-E277 WeakPolarHBondContact CA-O 3.21Å; H266-E277 PolarHBondContact N-O 3.49Å; H266-E277 PolarHBondContact O-N 3.18Å
278C92.9Very high91.3Very high46 Ų4669.2 Ų69.231%0.31136%0.36SS..EExtended strand (participates in β ladder)trans-74.1144.8-173.7-52.40000112.2N264 F282 C287N264-C278 CarbonylContact O-C 3.5Å; N264-C278 WeakPolarHBondContact O-CA 3.48Å; C278-F282 HydrophobicContact CB-CB 4.26Å; C278-F282 VanDerWaalsContact CB-O 3.31Å; C278-F282 WeakPolarHBondContact CB-O 3.43Å; C278-C287 WeakPolarHBondContact CA-SG 3.39Å; C278-C287 HydrophobicContact CB-CB 3.74Å; C278-C287 WeakPolarHBondContact CB-SG 3.34Å; C278-C287 VanDerWaalsContact SG-CA 3.5Å; C278-C287 WeakPolarHBondContact SG-CB 3.49Å; C278-C287 CovalentContact SG-SG 2.04Å; C278-C287 PolarHBondContact SG-SG 2.04Å
279E91.1Very high91.1Very high97 Ų9768 Ų6845%0.45336%0.36SS..PPolyproline II helixtrans-61157.2164.4-67.8-173.5170.800110.2N264 G281 F282 R309N264-E279 PolarHBondContact O-N 3.08Å; E279-G281 PolarHBondContact O-N 2.02Å; E279-F282 HydrophobicContact CB-CD2 4.48Å; E279-F282 PolarHBondContact O-N 3.38Å; E279-R309 IonicContact OE2-CZ 2.87Å; E279-R309 IonicContact OE2-NH1 2.61Å; E279-R309 IonicContact OE2-NH2 3.95Å; E279-R309 PolarHBondContact OE2-NH2 3.11Å
280S89.7Confident91Very high89 Ų8968 Ų6862%0.62236%0.358SS*.THydrogen-bonded Turntrans-53140.3171.9-57.60000111F282 D310S280-F282 VanDerWaalsContact C-N 3.33Å; S280-D310 VanDerWaalsContact C-OD1 3.29Å; S280-D310 WeakPolarHBondContact CB-OD1 3.31Å; S280-D310 WeakPolarHBondContact CB-OD2 3.05Å
281G87.2Confident90.9Very high9 Ų968.5 Ų68.59%0.09336%0.361CS..THydrogen-bonded Turntrans85-4.5-176.600000114.8E279 E290 T291 D310E279-G281 PolarHBondContact O-N 2.02Å; G281-E290 CarbonylContact O-C 3.56Å; G281-E290 WeakPolarHBondContact O-CA 3.41Å; G281-T291 VanDerWaalsContact C-OG1 3.28Å; G281-T291 WeakPolarHBondContact O-CB 3.44Å; G281-T291 PolarHBondContact O-N 2.89Å; G281-T291 PolarHBondContact O-OG1 3Å; G281-D310 WeakPolarHBondContact CA-OD1 3.03Å; G281-D310 PolarHBondContact N-OD1 3.32Å; G281-D310 VanDerWaalsContact N-OD1 3.08Å
282F91.8Very high90.9Very high26 Ų2666.3 Ų66.311%0.11435%0.349CS..EExtended strand (participates in β ladder)trans-121.6145.1179.4-65.8-88.5000113.3N264 C278 E279 S280 C287 E289 E290 R309N264-F282 HydrophobicContact CB-CB 4.07Å; N264-F282 HydrophobicContact CB-CD1 3.85Å; N264-F282 HydrophobicContact CB-CD2 3.67Å; N264-F282 HydrophobicContact CB-CE1 4.23Å; N264-F282 HydrophobicContact CB-CE2 4.07Å; N264-F282 HydrophobicContact CB-CG 3.55Å; N264-F282 HydrophobicContact CB-CZ 4.32Å; N264-F282 VanDerWaalsContact ND2-CD1 3.28Å; N264-F282 WeakPolarHBondContact ND2-CD1 3.27Å; N264-F282 WeakPolarHBondContact ND2-CE1 2.99Å; C278-F282 HydrophobicContact CB-CB 4.26Å; C278-F282 VanDerWaalsContact CB-O 3.31Å; C278-F282 WeakPolarHBondContact CB-O 3.43Å; E279-F282 HydrophobicContact CB-CD2 4.48Å; E279-F282 PolarHBondContact O-N 3.38Å; S280-F282 VanDerWaalsContact C-N 3.33Å; F282-C287 HydrophobicContact CB-CB 4.39Å; F282-E289 CarbonylContact C-O 3.58Å; F282-E289 VanDerWaalsContact CA-O 3.26Å; F282-E289 WeakPolarHBondContact CA-O 3.48Å; F282-E289 WeakPolarHBondContact CD1-O 3.38Å; F282-E290 HydrophobicContact CD1-CB 4.09Å; F282-E290 HydrophobicContact CD1-CG 4.18Å; F282-E290 HydrophobicContact CE1-CB 3.8Å; F282-E290 HydrophobicContact CE1-CG 3.63Å; F282-E290 HydrophobicContact CZ-CG 3.91Å; F282-R309 HydrophobicContact CE2-CG 3.8Å; F282-R309 HydrophobicContact CZ-CG 3.71Å; F282-R309 VanDerWaalsContact CZ-NE 3.33Å
283F89.2Confident90.9Very high94 Ų9467 Ų6741%0.41235%0.348SS..EExtended strand (participates in β ladder)trans-144-179.7176.473.1-79.1000111.8C287 E288 E289 E290F283-C287 CarbonylContact O-C 3.58Å; F283-C287 WeakPolarHBondContact O-CA 3.29Å; F283-E288 PolarHBondContact O-N 3.44Å; F283-E289 HydrophobicContact CD1-CB 3.99Å; F283-E289 HydrophobicContact CD2-CB 4.18Å; F283-E289 HydrophobicContact CE1-CB 3.71Å; F283-E289 HydrophobicContact CE2-CB 3.94Å; F283-E289 HydrophobicContact CE2-CG 4.49Å; F283-E289 WeakPolarHBondContact CE2-OE2 3.01Å; F283-E289 HydrophobicContact CG-CB 4.21Å; F283-E289 HydrophobicContact CZ-CB 3.68Å; F283-E289 WeakPolarHBondContact CZ-OE2 3.46Å; F283-E289 PolarHBondContact N-O 3.07Å; F283-E289 PolarHBondContact O-N 3.11Å; F283-E290 WeakPolarHBondContact CE1-O 3.4Å
284G89.6Confident90.9Very high32 Ų3265.3 Ų65.333%0.3334%0.336SS..SBendtrans100.9165.3-169.600000112.6R286 C287G284-R286 PolarHBondContact O-N 2.87Å; G284-C287 PolarHBondContact O-N 3.5Å
285D89.6Confident90.9Very high145 Ų14570.8 Ų70.878%0.77536%0.362SS*.THydrogen-bonded Turntrans-66.9-21-177.8-73.2-26.3000112.2C276C276-D285 WeakPolarHBondContact CB-O 3.47Å; C276-D285 PolarHBondContact SG-O 3.2Å
286R91.4Very high90.7Very high120 Ų12069.5 Ų69.545%0.45337%0.368SS..THydrogen-bonded Turntrans-124.315.7-179.8-63.3176.5172.6-114.1-1.3112.9I260 C261 F274 G284 E288I260-R286 WeakPolarHBondContact O-CB 3.46Å; I260-R286 WeakPolarHBondContact O-CG 3.44Å; C261-R286 CarbonylContact C-O 3.43Å; C261-R286 WeakPolarHBondContact CA-O 3.36Å; C261-R286 VanDerWaalsContact O-O 3.07Å; F274-R286 HydrophobicContact CE2-CG 4.37Å; F274-R286 HydrophobicContact CZ-CG 4.48Å; G284-R286 PolarHBondContact O-N 2.87Å; R286-E288 WeakPolarHBondContact CA-OE2 3.15Å; R286-E288 WeakPolarHBondContact CB-OE2 3.27Å; R286-E288 PolarHBondContact N-OE2 3.19Å; R286-E288 PolarHBondContact O-N 3.18Å
287C91.5Very high90.4Very high1 Ų175.1 Ų75.11%0.00740%0.396CS..SBendtrans5635.1-179.2-45.20000113.3N264 C276 C278 F282 F283 G284N264-C287 HydrophobicContact CB-CB 4.33Å; C276-C287 VanDerWaalsContact CB-SG 3.57Å; C278-C287 WeakPolarHBondContact CA-SG 3.39Å; C278-C287 HydrophobicContact CB-CB 3.74Å; C278-C287 WeakPolarHBondContact CB-SG 3.34Å; C278-C287 VanDerWaalsContact SG-CA 3.5Å; C278-C287 WeakPolarHBondContact SG-CB 3.49Å; C278-C287 CovalentContact SG-SG 2.04Å; C278-C287 PolarHBondContact SG-SG 2.04Å; F282-C287 HydrophobicContact CB-CB 4.39Å; F283-C287 CarbonylContact O-C 3.58Å; F283-C287 WeakPolarHBondContact O-CA 3.29Å; G284-C287 PolarHBondContact O-N 3.5Å
288E89.4Confident90.4Very high115 Ų11571.3 Ų71.354%0.53738%0.38SS..  trans-89.1-19.4-176.969.5-87.1-135.300113.4F283 R286F283-E288 PolarHBondContact O-N 3.44Å; R286-E288 WeakPolarHBondContact CA-OE2 3.15Å; R286-E288 WeakPolarHBondContact CB-OE2 3.27Å; R286-E288 PolarHBondContact N-OE2 3.19Å; R286-E288 PolarHBondContact O-N 3.18Å
289E89.6Confident90.3Very high96 Ų9669.8 Ų69.845%0.44937%0.37SS..EExtended strand (participates in β ladder)trans-98.7136.9-179.9-53.7-166.7174.400109.6F282 F283F282-E289 CarbonylContact C-O 3.58Å; F282-E289 VanDerWaalsContact CA-O 3.26Å; F282-E289 WeakPolarHBondContact CA-O 3.48Å; F282-E289 WeakPolarHBondContact CD1-O 3.38Å; F283-E289 HydrophobicContact CD1-CB 3.99Å; F283-E289 HydrophobicContact CD2-CB 4.18Å; F283-E289 HydrophobicContact CE1-CB 3.71Å; F283-E289 HydrophobicContact CE2-CB 3.94Å; F283-E289 HydrophobicContact CE2-CG 4.49Å; F283-E289 WeakPolarHBondContact CE2-OE2 3.01Å; F283-E289 HydrophobicContact CG-CB 4.21Å; F283-E289 HydrophobicContact CZ-CB 3.68Å; F283-E289 WeakPolarHBondContact CZ-OE2 3.46Å; F283-E289 PolarHBondContact N-O 3.07Å; F283-E289 PolarHBondContact O-N 3.11Å
290E89.6Confident89.9Confident54 Ų5469.3 Ų69.325%0.25238%0.377SS..EExtended strand (participates in β ladder)trans-101.1139.6176.9-162.9-76.5159.300108.1G281 F282 F283 D292 R309 D310G281-E290 CarbonylContact O-C 3.56Å; G281-E290 WeakPolarHBondContact O-CA 3.41Å; F282-E290 HydrophobicContact CD1-CB 4.09Å; F282-E290 HydrophobicContact CD1-CG 4.18Å; F282-E290 HydrophobicContact CE1-CB 3.8Å; F282-E290 HydrophobicContact CE1-CG 3.63Å; F282-E290 HydrophobicContact CZ-CG 3.91Å; F283-E290 WeakPolarHBondContact CE1-O 3.4Å; E290-D292 PolarHBondContact O-N 3Å; E290-R309 VanDerWaalsContact OE1-CA 3.3Å; E290-R309 WeakPolarHBondContact OE1-CA 3.48Å; E290-D310 PolarHBondContact OE1-N 2.92Å; E290-D310 VanDerWaalsContact OE1-N 3.09Å
291T90.8Very high89.1Confident52 Ų5270.8 Ų70.832%0.31937%0.373SS..  trans-79.1111.2-171.5-54.70000109.8G281 E293G281-T291 VanDerWaalsContact C-OG1 3.28Å; G281-T291 WeakPolarHBondContact O-CB 3.44Å; G281-T291 PolarHBondContact O-N 2.89Å; G281-T291 PolarHBondContact O-OG1 3Å; T291-E293 PolarHBondContact O-N 3.21Å
292D90.6Very high88.3Confident72 Ų7272 Ų7239%0.38539%0.385SS..  trans-68.494.8173-177-18.4000110.3E290 C294 E295 D307E290-D292 PolarHBondContact O-N 3Å; D292-C294 PolarHBondContact O-N 2.87Å; D292-C294 VanDerWaalsContact OD1-CA 3.27Å; D292-C294 WeakPolarHBondContact OD1-CA 3.43Å; D292-C294 WeakPolarHBondContact OD1-CB 3.41Å; D292-C294 PolarHBondContact OD1-N 2.95Å; D292-E295 HydrophobicContact CB-CG 4.05Å; D292-E295 WeakPolarHBondContact O-CB 3.4Å; D292-E295 PolarHBondContact O-N 2.77Å; D292-E295 PolarHBondContact OD1-N 3.34Å; D292-D307 WeakPolarHBondContact CA-OD1 3.26Å
293E90.3Very high87.9Confident34 Ų3471.5 Ų71.516%0.15939%0.387CS..G310 helixtrans-69.3-17-180-71.1101.4-166.600112.4T291 E295 S296 D307 D310 A311 Y312T291-E293 PolarHBondContact O-N 3.21Å; E293-E295 VanDerWaalsContact C-N 3.31Å; E293-E295 PolarHBondContact O-N 3.05Å; E293-S296 PolarHBondContact O-N 3.09Å; E293-S296 PolarHBondContact O-OG 3.08Å; E293-D307 PolarHBondContact N-OD1 3.21Å; E293-D310 WeakPolarHBondContact OE1-CA 3.02Å; E293-A311 VanDerWaalsContact OE2-C 3.24Å; E293-A311 WeakPolarHBondContact OE2-CA 3.43Å; E293-A311 PolarHBondContact OE2-N 3.24Å; E293-Y312 HydrophobicContact CB-CD1 3.71Å; E293-Y312 HydrophobicContact CB-CG 4.28Å; E293-Y312 HydrophobicContact CG-CD1 4.42Å
294C91.3Very high87.9Confident20 Ų2074.4 Ų74.414%0.13540%0.396CS..G310 helixtrans-73.1-19175-66.80000113.1D292 S296 N297 C305 D307D292-C294 PolarHBondContact O-N 2.87Å; D292-C294 VanDerWaalsContact OD1-CA 3.27Å; D292-C294 WeakPolarHBondContact OD1-CA 3.43Å; D292-C294 WeakPolarHBondContact OD1-CB 3.41Å; D292-C294 PolarHBondContact OD1-N 2.95Å; C294-S296 PolarHBondContact O-N 3.22Å; C294-N297 WeakPolarHBondContact O-CA 3.3Å; C294-N297 PolarHBondContact O-N 3.36Å; C294-C305 WeakPolarHBondContact CA-SG 3.45Å; C294-C305 HydrophobicContact CB-CB 3.68Å; C294-C305 WeakPolarHBondContact CB-SG 3.43Å; C294-C305 WeakPolarHBondContact SG-CB 3.09Å; C294-C305 CovalentContact SG-SG 2.03Å; C294-C305 PolarHBondContact SG-SG 2.04Å; C294-D307 PolarHBondContact SG-N 2.83Å
295E91Very high88Confident158 Ų15874.2 Ų74.274%0.73839%0.39SS*.G310 helixtrans-57.2-32.1172.6-77.2-157.3152.900112.1D292 E293 N297D292-E295 HydrophobicContact CB-CG 4.05Å; D292-E295 WeakPolarHBondContact O-CB 3.4Å; D292-E295 PolarHBondContact O-N 2.77Å; D292-E295 PolarHBondContact OD1-N 3.34Å; E293-E295 VanDerWaalsContact C-N 3.31Å; E293-E295 PolarHBondContact O-N 3.05Å; E295-N297 PolarHBondContact O-N 2.78Å; E295-N297 PolarHBondContact O-ND2 2.92Å; E295-N297 VanDerWaalsContact O-ND2 3.1Å
296S89.9Confident88.1Confident90 Ų9070.7 Ų70.763%0.62937%0.37SS*.G310 helixtrans-72.7-6.2177.474.40000113.9E293 C294E293-S296 PolarHBondContact O-N 3.09Å; E293-S296 PolarHBondContact O-OG 3.08Å; C294-S296 PolarHBondContact O-N 3.22Å
297N89.5Confident88Confident132 Ų13268.5 Ų68.571%0.70637%0.368SS*.  trans51.658-175-65.4-85.1000113.4C294 E295 C299C294-N297 WeakPolarHBondContact O-CA 3.3Å; C294-N297 PolarHBondContact O-N 3.36Å; E295-N297 PolarHBondContact O-N 2.78Å; E295-N297 PolarHBondContact O-ND2 2.92Å; E295-N297 VanDerWaalsContact O-ND2 3.1Å; N297-C299 PolarHBondContact O-N 2.81Å
298P91.4Very high87.6Confident16 Ų1669.7 Ų69.710%0.10438%0.38CS..  trans-66.3-24.3-173.526.9-34000113.5S300 Y312 H324P298-S300 PolarHBondContact O-N 2.63Å; P298-Y312 HydrophobicContact CB-CD2 3.98Å; P298-Y312 HydrophobicContact CB-CE1 4.16Å; P298-Y312 HydrophobicContact CB-CE2 3.38Å; P298-Y312 VanDerWaalsContact CB-CZ 3.46Å; P298-Y312 HydrophobicContact CG-CD1 4.26Å; P298-Y312 HydrophobicContact CG-CD2 3.43Å; P298-Y312 VanDerWaalsContact CG-CD2 3.43Å; P298-Y312 HydrophobicContact CG-CE1 4.25Å; P298-Y312 HydrophobicContact CG-CE2 3.41Å; P298-Y312 VanDerWaalsContact CG-CE2 3.41Å; P298-Y312 HydrophobicContact CG-CG 3.87Å; P298-H324 WeakPolarHBondContact O-CB 3.48Å
299C91Very high87.4Confident14 Ų1471.1 Ų71.110%0.09538%0.381CS..  trans-77.982.6-177.8-45.20000112.4N297 K301 G302 G303 C305 C314 H324N297-C299 PolarHBondContact O-N 2.81Å; C299-K301 VanDerWaalsContact C-N 3.28Å; C299-K301 PolarHBondContact O-N 2.87Å; C299-G302 PolarHBondContact O-N 3.42Å; C299-G303 WeakPolarHBondContact CB-O 3.21Å; C299-C305 VanDerWaalsContact SG-CB 3.57Å; C299-C314 WeakPolarHBondContact CA-SG 3.06Å; C299-C314 HydrophobicContact CB-CB 3.91Å; C299-C314 WeakPolarHBondContact CB-SG 3.28Å; C299-C314 VanDerWaalsContact SG-CA 3.53Å; C299-C314 WeakPolarHBondContact SG-CB 3.35Å; C299-C314 CovalentContact SG-SG 2.04Å; C299-C314 PolarHBondContact SG-SG 3.12Å; C299-H324 CarbonylContact C-O 2.95Å
300S83.7Confident87.2Confident87 Ų8770.4 Ų70.461%0.60838%0.38SS*.THydrogen-bonded Turntrans-51.8-29.3-166-68.70000117.2P298 H324P298-S300 PolarHBondContact O-N 2.63Å; S300-H324 PolarHBondContact N-O 2.94Å
301K73.4Confident87.2Confident120 Ų12070.4 Ų70.452%0.52239%0.389SS..THydrogen-bonded Turntrans-117.624.2-172.7-63.7-85.9179.5175.40113.3C299 Y320 C325C299-K301 VanDerWaalsContact C-N 3.28Å; C299-K301 PolarHBondContact O-N 2.87Å; K301-Y320 HydrophobicContact CB-CD1 4Å; K301-Y320 HydrophobicContact CB-CE1 3.87Å; K301-Y320 HydrophobicContact CD-CE1 4.06Å; K301-Y320 HydrophobicContact CG-CD1 4.23Å; K301-Y320 HydrophobicContact CG-CE1 3.95Å; K301-C325 WeakPolarHBondContact CB-O 2.88Å; K301-C325 WeakPolarHBondContact CG-O 3.29Å
302G70.4Confident87.1Confident35 Ų3571.6 Ų71.636%0.36139%0.388SS..SBendtrans90.722.8176.300000114.4C299 F317C299-G302 PolarHBondContact O-N 3.42Å; G302-F317 WeakPolarHBondContact O-CD2 2.79Å; G302-F317 VanDerWaalsContact O-CE1 3.29Å; G302-F317 WeakPolarHBondContact O-CE1 3.11Å; G302-F317 WeakPolarHBondContact O-CE2 3.38Å; G302-F317 WeakPolarHBondContact O-CZ 3.34Å
303G83.2Confident87.1Confident15 Ų1573.3 Ų73.316%0.15540%0.397CS..PPolyproline II helixtrans-61.9152.6167.700000111.6C299 I315C299-G303 WeakPolarHBondContact CB-O 3.21Å; G303-I315 CarbonylContact C-O 3.44Å; G303-I315 WeakPolarHBondContact CA-O 3.49Å
304Y88.6Confident87.1Confident154 Ų15472.3 Ų72.360%0.60439%0.394SS*.EExtended strand (participates in β ladder)trans-79.3120.7170-173.4-96.3000109L306 I315Y304-L306 HydrophobicContact CD1-CD2 4.13Å; Y304-L306 HydrophobicContact CD1-CG 4.14Å; Y304-L306 HydrophobicContact CE1-CD2 3.57Å; Y304-L306 HydrophobicContact CE1-CG 4.09Å; Y304-I315 PolarHBondContact N-O 2.8Å; Y304-I315 PolarHBondContact O-N 3.26Å
305C91.7Very high87Confident28 Ų2875.5 Ų75.519%0.18941%0.409CS..EExtended strand (participates in β ladder)trans-86.8131.7179.7-166.30000110.2C294 C299C294-C305 WeakPolarHBondContact CA-SG 3.45Å; C294-C305 HydrophobicContact CB-CB 3.68Å; C294-C305 WeakPolarHBondContact CB-SG 3.43Å; C294-C305 WeakPolarHBondContact SG-CB 3.09Å; C294-C305 CovalentContact SG-SG 2.03Å; C294-C305 PolarHBondContact SG-SG 2.04Å; C299-C305 VanDerWaalsContact SG-CB 3.57Å
306L91.8Very high86.7Confident71 Ų7169.7 Ų69.737%0.37239%0.385SS..EExtended strand (participates in β ladder)trans-112.3123.9169.6-73.1174.4000108.6Y304 Y312 L313 I315Y304-L306 HydrophobicContact CD1-CD2 4.13Å; Y304-L306 HydrophobicContact CD1-CG 4.14Å; Y304-L306 HydrophobicContact CE1-CD2 3.57Å; Y304-L306 HydrophobicContact CE1-CG 4.09Å; L306-Y312 CarbonylContact O-C 3.45Å; L306-Y312 VanDerWaalsContact O-CA 3.29Å; L306-Y312 WeakPolarHBondContact O-CA 3.02Å; L306-L313 HydrophobicContact CB-CB 4.32Å; L306-L313 HydrophobicContact CD1-CD2 4.41Å; L306-L313 PolarHBondContact N-O 3.48Å; L306-L313 PolarHBondContact O-N 2.81Å; L306-I315 HydrophobicContact CD1-CD1 3.56Å; L306-I315 HydrophobicContact CD1-CG1 4.23Å; L306-I315 HydrophobicContact CG-CD1 4.26Å
307D88.6Confident86.4Confident74 Ų7471.5 Ų71.540%0.39638%0.382SS..  trans-78.8152175.3-178.763.1000111.6D292 E293 C294D292-D307 WeakPolarHBondContact CA-OD1 3.26Å; E293-D307 PolarHBondContact N-OD1 3.21Å; C294-D307 PolarHBondContact SG-N 2.83Å
308G84.5Confident85.7Confident26 Ų2671.9 Ų71.927%0.26838%0.383SS..  trans-167.2165.4-176.900000111.4D310 A311G308-D310 PolarHBondContact O-N 2.96Å; G308-A311 CarbonylContact C-O 3.59Å; G308-A311 WeakPolarHBondContact CA-O 3.29Å; G308-A311 PolarHBondContact N-O 2.03Å; G308-A311 CarbonylContact O-C 3.5Å; G308-A311 PolarHBondContact O-N 2.79Å
309R85.5Confident85Confident145 Ų14571.7 Ų71.755%0.54738%0.384SS..THydrogen-bonded Turntrans-57.4107.4-171.9-175.2176.8-167.7-851.3112.7N264 E279 F282 E290 A311N264-R309 PolarHBondContact OD1-NH2 3.24Å; E279-R309 IonicContact OE2-CZ 2.87Å; E279-R309 IonicContact OE2-NH1 2.61Å; E279-R309 IonicContact OE2-NH2 3.95Å; E279-R309 PolarHBondContact OE2-NH2 3.11Å; F282-R309 HydrophobicContact CE2-CG 3.8Å; F282-R309 HydrophobicContact CZ-CG 3.71Å; F282-R309 VanDerWaalsContact CZ-NE 3.33Å; E290-R309 VanDerWaalsContact OE1-CA 3.3Å; E290-R309 WeakPolarHBondContact OE1-CA 3.48Å; R309-A311 PolarHBondContact O-N 2.98Å
310D85.4Confident84.7Confident82 Ų8274.1 Ų74.144%0.43939%0.391SS..THydrogen-bonded Turntrans54.430-177.6-16842.3000112.1S280 G281 E290 E293 G308S280-D310 VanDerWaalsContact C-OD1 3.29Å; S280-D310 WeakPolarHBondContact CB-OD1 3.31Å; S280-D310 WeakPolarHBondContact CB-OD2 3.05Å; G281-D310 WeakPolarHBondContact CA-OD1 3.03Å; G281-D310 PolarHBondContact N-OD1 3.32Å; G281-D310 VanDerWaalsContact N-OD1 3.08Å; E290-D310 PolarHBondContact OE1-N 2.92Å; E290-D310 VanDerWaalsContact OE1-N 3.09Å; E293-D310 WeakPolarHBondContact OE1-CA 3.02Å; G308-D310 PolarHBondContact O-N 2.96Å
311A88Confident84.6Confident54 Ų5474.6 Ų74.645%0.44638%0.384SS..  trans-167137.2-174.300000113.2E293 G308 R309E293-A311 VanDerWaalsContact OE2-C 3.24Å; E293-A311 WeakPolarHBondContact OE2-CA 3.43Å; E293-A311 PolarHBondContact OE2-N 3.24Å; G308-A311 CarbonylContact C-O 3.59Å; G308-A311 WeakPolarHBondContact CA-O 3.29Å; G308-A311 PolarHBondContact N-O 2.03Å; G308-A311 CarbonylContact O-C 3.5Å; G308-A311 PolarHBondContact O-N 2.79Å; R309-A311 PolarHBondContact O-N 2.98Å
312Y90Very high85.2Confident76 Ų7670.6 Ų70.630%0.29838%0.377SS..  trans-111160.4169.466.1-83.9000112.9E293 P298 L306 H324E293-Y312 HydrophobicContact CB-CD1 3.71Å; E293-Y312 HydrophobicContact CB-CG 4.28Å; E293-Y312 HydrophobicContact CG-CD1 4.42Å; P298-Y312 HydrophobicContact CB-CD2 3.98Å; P298-Y312 HydrophobicContact CB-CE1 4.16Å; P298-Y312 HydrophobicContact CB-CE2 3.38Å; P298-Y312 VanDerWaalsContact CB-CZ 3.46Å; P298-Y312 HydrophobicContact CG-CD1 4.26Å; P298-Y312 HydrophobicContact CG-CD2 3.43Å; P298-Y312 VanDerWaalsContact CG-CD2 3.43Å; P298-Y312 HydrophobicContact CG-CE1 4.25Å; P298-Y312 HydrophobicContact CG-CE2 3.41Å; P298-Y312 VanDerWaalsContact CG-CE2 3.41Å; P298-Y312 HydrophobicContact CG-CG 3.87Å; L306-Y312 CarbonylContact O-C 3.45Å; L306-Y312 VanDerWaalsContact O-CA 3.29Å; L306-Y312 WeakPolarHBondContact O-CA 3.02Å; Y312-H324 AromaticContact CE2-CD2 3.96Å; Y312-H324 AromaticContact CZ-CD2 3.95Å; Y312-H324 AromaticContact CZ-NE2 3.95Å; Y312-H324 PolarHBondContact OH-CD2 3.27Å; Y312-H324 PolarHBondContact OH-NE2 3.39Å
313L90.2Very high86Confident108 Ų10875 Ų7557%0.56539%0.391SS*.EExtended strand (participates in β ladder)trans-127.3123.2173.6174.465000110.7L306L306-L313 HydrophobicContact CB-CB 4.32Å; L306-L313 HydrophobicContact CD1-CD2 4.41Å; L306-L313 PolarHBondContact N-O 3.48Å; L306-L313 PolarHBondContact O-N 2.81Å
314C90.9Very high86.4Confident13 Ų1377.4 Ų77.49%0.08840%0.398CS..EExtended strand (participates in β ladder)trans-90117.2171.3-68.40000111.6C299 C316 I323C299-C314 WeakPolarHBondContact CA-SG 3.06Å; C299-C314 HydrophobicContact CB-CB 3.91Å; C299-C314 WeakPolarHBondContact CB-SG 3.28Å; C299-C314 VanDerWaalsContact SG-CA 3.53Å; C299-C314 WeakPolarHBondContact SG-CB 3.35Å; C299-C314 CovalentContact SG-SG 2.04Å; C299-C314 PolarHBondContact SG-SG 3.12Å; C314-C316 PolarHBondContact O-N 3.35Å; C314-I323 WeakPolarHBondContact CB-O 3.18Å
315I89Confident86.4Confident88 Ų8870.1 Ų70.145%0.45137%0.37SS..EExtended strand (participates in β ladder)trans-87.4104.9166.8-59.7176.6000108.2G303 Y304 L306G303-I315 CarbonylContact C-O 3.44Å; G303-I315 WeakPolarHBondContact CA-O 3.49Å; Y304-I315 PolarHBondContact N-O 2.8Å; Y304-I315 PolarHBondContact O-N 3.26Å; L306-I315 HydrophobicContact CD1-CD1 3.56Å; L306-I315 HydrophobicContact CD1-CG1 4.23Å; L306-I315 HydrophobicContact CG-CD1 4.26Å
316C84.7Confident86.2Confident36 Ų3672.1 Ų72.124%0.24338%0.377CS..PPolyproline II helixtrans-72141.5-176.1-54.90000112.8C314 Y320 C325C314-C316 PolarHBondContact O-N 3.35Å; C316-Y320 WeakPolarHBondContact CB-O 3.42Å; C316-C325 WeakPolarHBondContact CA-SG 3.03Å; C316-C325 HydrophobicContact CB-CB 3.73Å; C316-C325 WeakPolarHBondContact CB-SG 3Å; C316-C325 WeakPolarHBondContact SG-CA 3.26Å; C316-C325 WeakPolarHBondContact SG-CB 3.46Å; C316-C325 CovalentContact SG-SG 2.04Å; C316-C325 PolarHBondContact SG-SG 2.96Å
317F82.1Confident85.8Confident127 Ų12773.7 Ų73.756%0.55738%0.382SS*.PPolyproline II helixtrans-61153.2166-69.7-23.4000110.8G302 G319 Y320G302-F317 WeakPolarHBondContact O-CD2 2.79Å; G302-F317 VanDerWaalsContact O-CE1 3.29Å; G302-F317 WeakPolarHBondContact O-CE1 3.11Å; G302-F317 WeakPolarHBondContact O-CE2 3.38Å; G302-F317 WeakPolarHBondContact O-CZ 3.34Å; F317-G319 PolarHBondContact O-N 2.04Å; F317-Y320 PolarHBondContact O-N 3.45Å; F317-Y320 VanDerWaalsContact O-N 3.14Å
318L76.4Confident85.5Confident140 Ų14077 Ų7773%0.73339%0.393SS*.THydrogen-bonded Turntrans-51.7129179.2-65.8172.9000111.1Y348L318-Y348 HydrophobicContact CB-CD1 4.3Å; L318-Y348 HydrophobicContact CB-CE1 3.9Å; L318-Y348 HydrophobicContact CD1-CD1 4.45Å; L318-Y348 HydrophobicContact CD1-CE1 4.01Å
319G76.9Confident85.4Confident12 Ų1278.2 Ų78.212%0.12439%0.392CS..THydrogen-bonded Turntrans951.3-178.500000115.4F317 K328 I329 P347F317-G319 PolarHBondContact O-N 2.04Å; G319-K328 WeakPolarHBondContact O-CA 3.45Å; G319-I329 PolarHBondContact O-N 2.83Å; G319-P347 WeakPolarHBondContact CA-O 3.07Å
320Y84.7Confident85.2Confident65 Ų6574.2 Ų74.226%0.25538%0.382SS..EExtended strand (participates in β ladder)trans-120.5148.1175.6-67.2-94.6000112.5K301 C316 F317 C325 H327 K328K301-Y320 HydrophobicContact CB-CD1 4Å; K301-Y320 HydrophobicContact CB-CE1 3.87Å; K301-Y320 HydrophobicContact CD-CE1 4.06Å; K301-Y320 HydrophobicContact CG-CD1 4.23Å; K301-Y320 HydrophobicContact CG-CE1 3.95Å; C316-Y320 WeakPolarHBondContact CB-O 3.42Å; F317-Y320 PolarHBondContact O-N 3.45Å; F317-Y320 VanDerWaalsContact O-N 3.14Å; Y320-C325 WeakPolarHBondContact CD1-O 3.01Å; Y320-H327 CarbonylContact C-O 3.35Å; Y320-H327 WeakPolarHBondContact CA-O 3.11Å; Y320-H327 WeakPolarHBondContact CD1-O 3.22Å; Y320-K328 HydrophobicContact CD1-CG 4.05Å; Y320-K328 HydrophobicContact CE1-CG 3.63Å
321E81.2Confident85Confident97 Ų9772.2 Ų72.245%0.45337%0.37SS..EExtended strand (participates in β ladder)trans-138.1173.3175.668.5-179.4169.900110.9C325 E326 H327 I329E321-C325 CarbonylContact O-C 3.59Å; E321-E326 PolarHBondContact O-N 2.84Å; E321-H327 HydrophobicContact CG-CB 3.81Å; E321-H327 PolarHBondContact N-O 2.81Å; E321-H327 WeakPolarHBondContact O-CB 3.47Å; E321-H327 PolarHBondContact O-N 2.85Å; E321-I329 HydrophobicContact CB-CG1 3.92Å; E321-I329 HydrophobicContact CG-CG1 4.1Å
322G85.6Confident84.9Confident37 Ų3771.1 Ų71.138%0.38136%0.359SS..SBendtrans105.1167.5-174.600000112.8H324 C325 E326G322-H324 VanDerWaalsContact C-N 3.27Å; G322-H324 PolarHBondContact O-N 3.47Å; G322-C325 PolarHBondContact O-N 2.98Å; G322-E326 WeakPolarHBondContact CA-OE2 3.39Å
323I87.8Confident84.6Confident127 Ų12775.7 Ų75.765%0.65138%0.38SS*.THydrogen-bonded Turntrans-69.3-31.1-177.6-62173000110.5C314 E326C314-I323 WeakPolarHBondContact CB-O 3.18Å; I323-E326 PolarHBondContact N-OE2 3.14Å
324H90.6Very high84Confident65 Ų6575.2 Ų75.230%0.30139%0.385SS..THydrogen-bonded Turntrans-111.615.1-180-50.9134.7000112.2P298 C299 S300 Y312 G322 E326P298-H324 WeakPolarHBondContact O-CB 3.48Å; C299-H324 CarbonylContact C-O 2.95Å; S300-H324 PolarHBondContact N-O 2.94Å; Y312-H324 AromaticContact CE2-CD2 3.96Å; Y312-H324 AromaticContact CZ-CD2 3.95Å; Y312-H324 AromaticContact CZ-NE2 3.95Å; Y312-H324 PolarHBondContact OH-CD2 3.27Å; Y312-H324 PolarHBondContact OH-NE2 3.39Å; G322-H324 VanDerWaalsContact C-N 3.27Å; G322-H324 PolarHBondContact O-N 3.47Å; H324-E326 VanDerWaalsContact C-OE2 3.22Å; H324-E326 VanDerWaalsContact CA-OE2 3.26Å; H324-E326 WeakPolarHBondContact CA-OE2 3.35Å; H324-E326 WeakPolarHBondContact CB-OE2 3.43Å; H324-E326 PolarHBondContact N-OE2 3.48Å; H324-E326 PolarHBondContact O-N 3.29Å
325C88.3Confident83.4Confident1 Ų177.1 Ų77.11%0.00739%0.393CS..SBendtrans55.532.8-173.3-48.90000113.4K301 C316 Y320 E321 G322K301-C325 WeakPolarHBondContact CB-O 2.88Å; K301-C325 WeakPolarHBondContact CG-O 3.29Å; C316-C325 WeakPolarHBondContact CA-SG 3.03Å; C316-C325 HydrophobicContact CB-CB 3.73Å; C316-C325 WeakPolarHBondContact CB-SG 3Å; C316-C325 WeakPolarHBondContact SG-CA 3.26Å; C316-C325 WeakPolarHBondContact SG-CB 3.46Å; C316-C325 CovalentContact SG-SG 2.04Å; C316-C325 PolarHBondContact SG-SG 2.96Å; Y320-C325 WeakPolarHBondContact CD1-O 3.01Å; E321-C325 CarbonylContact O-C 3.59Å; G322-C325 PolarHBondContact O-N 2.98Å
326E88.6Confident83.2Confident71 Ų7181.1 Ų81.133%0.33241%0.41SS..  trans-81.3-21.6-172.168.2-86.1-147.700113E321 G322 I323 H324E321-E326 PolarHBondContact O-N 2.84Å; G322-E326 WeakPolarHBondContact CA-OE2 3.39Å; I323-E326 PolarHBondContact N-OE2 3.14Å; H324-E326 VanDerWaalsContact C-OE2 3.22Å; H324-E326 VanDerWaalsContact CA-OE2 3.26Å; H324-E326 WeakPolarHBondContact CA-OE2 3.35Å; H324-E326 WeakPolarHBondContact CB-OE2 3.43Å; H324-E326 PolarHBondContact N-OE2 3.48Å; H324-E326 PolarHBondContact O-N 3.29Å
327H83.4Confident83.4Confident104 Ų10479.9 Ų79.948%0.48140%0.402SS..EExtended strand (participates in β ladder)trans-103140.6-176.2-60.3-55.8000111Y320 E321Y320-H327 CarbonylContact C-O 3.35Å; Y320-H327 WeakPolarHBondContact CA-O 3.11Å; Y320-H327 WeakPolarHBondContact CD1-O 3.22Å; E321-H327 HydrophobicContact CG-CB 3.81Å; E321-H327 PolarHBondContact N-O 2.81Å; E321-H327 WeakPolarHBondContact O-CB 3.47Å; E321-H327 PolarHBondContact O-N 2.85Å
328K81.4Confident83.8Confident144 Ų14479.6 Ų79.663%0.62640%0.402SS*.EExtended strand (participates in β ladder)trans-84.4134.9167.7-71.3-177.4178.8-176.30108.4G319 Y320 D330G319-K328 WeakPolarHBondContact O-CA 3.45Å; Y320-K328 HydrophobicContact CD1-CG 4.05Å; Y320-K328 HydrophobicContact CE1-CG 3.63Å; K328-D330 PolarHBondContact O-N 2.89Å
329I81.9Confident84.3Confident50 Ų5075.1 Ų75.126%0.25638%0.379SS..PPolyproline II helixtrans-61.4130.3176.4-62.5172.3000108.6G319 E321 H331 N345G319-I329 PolarHBondContact O-N 2.83Å; E321-I329 HydrophobicContact CB-CG1 3.92Å; E321-I329 HydrophobicContact CG-CG1 4.1Å; I329-H331 VanDerWaalsContact CG2-CE1 3.48Å; I329-H331 WeakPolarHBondContact CG2-CE1 3.41Å; I329-N345 PolarHBondContact O-ND2 3.4Å; I329-N345 PolarHBondContact O-OD1 3.36Å
330D82.4Confident84.9Confident61 Ų6181.4 Ų81.433%0.32641%0.405SS..  trans-101.688173.6-171.12.5000110.9K328 C332 K333 N345K328-D330 PolarHBondContact O-N 2.89Å; D330-C332 PolarHBondContact O-N 2.96Å; D330-C332 WeakPolarHBondContact OD1-CB 3.45Å; D330-C332 PolarHBondContact OD1-N 3.36Å; D330-K333 HydrophobicContact CB-CD 4.25Å; D330-K333 HydrophobicContact CB-CG 4.2Å; D330-K333 PolarHBondContact O-N 3.19Å; D330-K333 VanDerWaalsContact O-N 3.11Å; D330-N345 WeakPolarHBondContact CA-ND2 3.01Å
331H81.1Confident85.1Confident41 Ų4179 Ų7919%0.1940%0.4CS..G310 helixtrans-65.8-16.6-179.1-64.2-76.3000113.1I329 K333 S334 N345 L346 G349 Y350I329-H331 VanDerWaalsContact CG2-CE1 3.48Å; I329-H331 WeakPolarHBondContact CG2-CE1 3.41Å; H331-K333 VanDerWaalsContact C-N 3.26Å; H331-K333 PolarHBondContact O-N 3.06Å; H331-S334 PolarHBondContact O-N 2.79Å; H331-S334 PolarHBondContact O-OG 3.45Å; H331-N345 WeakPolarHBondContact CB-OD1 3.45Å; H331-N345 PolarHBondContact CD2-OD1 2.84Å; H331-N345 PolarHBondContact N-OD1 2.96Å; H331-L346 PolarHBondContact CD2-O 2.04Å; H331-L346 VanDerWaalsContact CD2-O 3.23Å; H331-G349 VanDerWaalsContact CB-C 3.47Å; H331-G349 VanDerWaalsContact CB-O 3.31Å; H331-G349 WeakPolarHBondContact CB-O 3.43Å; H331-G349 PolarHBondContact CD2-N 3.46Å; H331-G349 PolarHBondContact CD2-O 3.11Å; H331-G349 PolarHBondContact NE2-N 3.43Å; H331-Y350 HydrophobicContact CB-CD1 4.05Å; H331-Y350 HydrophobicContact CB-CG 4.49Å
332C85.4Confident85.6Confident31 Ų3178.7 Ų78.721%0.20941%0.405CS..G310 helixtrans-75.2-11.8175.1-70.10000113.2D330 S334 C343 V344 N345D330-C332 PolarHBondContact O-N 2.96Å; D330-C332 WeakPolarHBondContact OD1-CB 3.45Å; D330-C332 PolarHBondContact OD1-N 3.36Å; C332-S334 VanDerWaalsContact C-N 3.34Å; C332-C343 WeakPolarHBondContact CA-SG 3.31Å; C332-C343 HydrophobicContact CB-CB 3.81Å; C332-C343 WeakPolarHBondContact CB-SG 3.47Å; C332-C343 VanDerWaalsContact SG-C 3.52Å; C332-C343 WeakPolarHBondContact SG-CB 3.41Å; C332-C343 CovalentContact SG-SG 2.04Å; C332-C343 PolarHBondContact SG-SG 3.41Å; C332-V344 VanDerWaalsContact SG-C 3.6Å; C332-N345 PolarHBondContact SG-N 2.96Å; C332-N345 VanDerWaalsContact SG-N 3.45Å
333K84Confident85.9Confident172 Ų17278.7 Ų78.775%0.74840%0.398SS*.G310 helixtrans-73.9-26.8173-72.7-177.6-177.9173.30113.3D330 H331D330-K333 HydrophobicContact CB-CD 4.25Å; D330-K333 HydrophobicContact CB-CG 4.2Å; D330-K333 PolarHBondContact O-N 3.19Å; D330-K333 VanDerWaalsContact O-N 3.11Å; H331-K333 VanDerWaalsContact C-N 3.26Å; H331-K333 PolarHBondContact O-N 3.06Å
334S78.2Confident85.9Confident97 Ų9775.7 Ų75.768%0.67839%0.386SS*.SBendtrans-91.6-6.4179.953.40000113.6H331 C332H331-S334 PolarHBondContact O-N 2.79Å; H331-S334 PolarHBondContact O-OG 3.45Å; C332-S334 VanDerWaalsContact C-N 3.34Å
335H78.3Confident85.5Confident53 Ų5375.7 Ų75.725%0.24539%0.388CS..  trans-145.9136.2-174-163.486.7000113Y350 F362H335-Y350 HydrophobicContact CB-CD1 4.17Å; H335-Y350 HydrophobicContact CB-CD2 3.97Å; H335-Y350 HydrophobicContact CB-CE1 3.81Å; H335-Y350 HydrophobicContact CB-CE2 3.59Å; H335-Y350 HydrophobicContact CB-CG 4.26Å; H335-Y350 AromaticContact CD2-CD2 3.72Å; H335-Y350 AromaticContact CD2-CE2 3.02Å; H335-Y350 WeakPolarHBondContact CD2-CE2 3.47Å; H335-Y350 AromaticContact CD2-CZ 3.63Å; H335-Y350 AromaticContact CE1-CE2 3.89Å; H335-Y350 AromaticContact CE1-CZ 3.91Å; H335-Y350 PolarHBondContact CE1-OH 2.96Å; H335-Y350 VanDerWaalsContact CE1-OH 3.29Å; H335-Y350 AromaticContact CG-CD2 3.94Å; H335-Y350 AromaticContact CG-CE2 3.16Å; H335-Y350 AromaticContact CG-CZ 3.24Å; H335-Y350 AromaticContact ND1-CE2 3.75Å; H335-Y350 AromaticContact ND1-CZ 3.49Å; H335-Y350 PolarHBondContact ND1-OH 2.94Å; H335-Y350 AromaticContact NE2-CE2 3.51Å; H335-F362 AromaticContact CE1-CD1 3.71Å; H335-F362 AromaticContact NE2-CD1 3.13Å; H335-F362 WeakPolarHBondContact NE2-CD1 3.38Å; H335-F362 AromaticContact NE2-CE1 3.82Å; H335-F362 AromaticContact NE2-CG 3.65Å
336E84.5Confident85Confident172 Ų17279.4 Ų79.480%0.80441%0.407SS*.  trans-115125.2177.7-172.8170.1-169.500108.8
337C89.5Confident84.1Confident11 Ų1179.9 Ų79.97%0.07442%0.417CS..  trans-74.6132.7178-57.10000110.2G341 C343 C352C337-G341 WeakPolarHBondContact CB-O 3.46Å; C337-C343 VanDerWaalsContact SG-CA 3.57Å; C337-C352 VanDerWaalsContact CA-SG 3.6Å; C337-C352 HydrophobicContact CB-CB 3.68Å; C337-C352 WeakPolarHBondContact CB-SG 3.47Å; C337-C352 WeakPolarHBondContact SG-CA 3.01Å; C337-C352 WeakPolarHBondContact SG-CB 3.19Å; C337-C352 CovalentContact SG-SG 2.03Å; C337-C352 PolarHBondContact SG-SG 2.03Å
338E89Confident83.5Confident121 Ų12183.9 Ų83.957%0.56543%0.429SS*.G310 helixtrans-71.2168.6-179.5-69.4-72.2-175.800111.9E340 G341 F362 C363E338-E340 PolarHBondContact O-N 2.87Å; E338-G341 PolarHBondContact O-N 3.18Å; E338-F362 PolarHBondContact N-O 3.41Å; E338-C363 VanDerWaalsContact O-CB 3.3Å; E338-C363 WeakPolarHBondContact O-CB 3.23Å
339N88.2Confident83.2Confident46 Ų4677.8 Ų77.825%0.24641%0.407CS..G310 helixtrans53.530173.9-71.9-51000115.7P355 Y357 A358 C363 E364N339-P355 WeakPolarHBondContact O-CG 3.02Å; N339-Y357 HydrophobicContact CB-CE2 4.25Å; N339-Y357 PolarHBondContact O-OH 2.85Å; N339-A358 HydrophobicContact CB-CB 3.99Å; N339-C363 WeakPolarHBondContact CB-O 3.47Å; N339-C363 PolarHBondContact ND2-O 2.93Å; N339-E364 PolarHBondContact ND2-O 3.49Å
340E88.2Confident83.3Confident143 Ų14378.7 Ų78.767%0.66841%0.407SS*.G310 helixtrans69.129.2-176.7-53.4159.3-140.500113.4E338 K385E338-E340 PolarHBondContact O-N 2.87Å; E340-K385 IonicContact OE1-NZ 2.62Å; E340-K385 PolarHBondContact OE1-NZ 3.11Å
341G90.2Very high83.6Confident15 Ų1577.8 Ų77.816%0.15541%0.408CS..PPolyproline II helixtrans-61.9143.5170.600000112.5C337 E338C337-G341 WeakPolarHBondContact CB-O 3.46Å; E338-G341 PolarHBondContact O-N 3.18Å
342T91.7Very high84Confident91 Ų9176.7 Ų76.756%0.55841%0.405SS*.EExtended strand (participates in β ladder)trans-92.3117.5174.4-54.60000109.9K353T342-K353 PolarHBondContact N-O 2.82Å; T342-K353 PolarHBondContact O-N 3.36Å
343C90.8Very high84.3Confident36 Ų3682.5 Ų82.524%0.24343%0.427CS..EExtended strand (participates in β ladder)trans-71132.9175.1-171.90000111.4C332 C337C332-C343 WeakPolarHBondContact CA-SG 3.31Å; C332-C343 HydrophobicContact CB-CB 3.81Å; C332-C343 WeakPolarHBondContact CB-SG 3.47Å; C332-C343 VanDerWaalsContact SG-C 3.52Å; C332-C343 WeakPolarHBondContact SG-CB 3.41Å; C332-C343 CovalentContact SG-SG 2.04Å; C332-C343 PolarHBondContact SG-SG 3.41Å; C337-C343 VanDerWaalsContact SG-CA 3.57Å
344V88.9Confident84.7Confident65 Ų6576.2 Ų76.239%0.39440%0.404SS..EExtended strand (participates in β ladder)trans-114116.9174.4-177.90000108C332 L346 Y350 A351 K353C332-V344 VanDerWaalsContact SG-C 3.6Å; V344-L346 HydrophobicContact CG1-CD2 4.18Å; V344-L346 PolarHBondContact O-N 3.42Å; V344-Y350 WeakPolarHBondContact O-CA 3.48Å; V344-A351 PolarHBondContact N-O 2.04Å; V344-A351 PolarHBondContact O-N 3.23Å; V344-K353 HydrophobicContact CG2-CB 4.47Å
345N81.7Confident85.1Confident65 Ų6573.2 Ų73.235%0.34838%0.383SS..EExtended strand (participates in β ladder)trans-75.9123177.4-173.431.1000110.3I329 D330 H331 C332I329-N345 PolarHBondContact O-ND2 3.4Å; I329-N345 PolarHBondContact O-OD1 3.36Å; D330-N345 WeakPolarHBondContact CA-ND2 3.01Å; H331-N345 WeakPolarHBondContact CB-OD1 3.45Å; H331-N345 PolarHBondContact CD2-OD1 2.84Å; H331-N345 PolarHBondContact N-OD1 2.96Å; C332-N345 PolarHBondContact SG-N 2.96Å; C332-N345 VanDerWaalsContact SG-N 3.45Å
346L78.1Confident85.7Confident78 Ų7879.4 Ų79.441%0.40841%0.412SS..EExtended strand (participates in β ladder)trans-114.7159.7-178.5-64.1176.4000110.3H331 V344 Y348 G349 A351H331-L346 PolarHBondContact CD2-O 2.04Å; H331-L346 VanDerWaalsContact CD2-O 3.23Å; V344-L346 HydrophobicContact CG1-CD2 4.18Å; V344-L346 PolarHBondContact O-N 3.42Å; L346-Y348 PolarHBondContact O-N 3.19Å; L346-G349 CarbonylContact C-O 3.18Å; L346-G349 WeakPolarHBondContact CA-O 3.37Å; L346-G349 WeakPolarHBondContact CB-O 3.04Å; L346-G349 PolarHBondContact N-O 3.48Å; L346-G349 PolarHBondContact O-N 3.01Å; L346-A351 HydrophobicContact CD1-CB 3.71Å
347P68.5Low85.9Confident81 Ų8173.4 Ų73.453%0.52638%0.382SS..THydrogen-bonded Turntrans-60.4-20.9-179.5-24.534.3000115.3G319G319-P347 WeakPolarHBondContact CA-O 3.07Å
348Y70.9Confident85.9Confident189 Ų18973.3 Ų73.374%0.74138%0.382SS*.THydrogen-bonded Turntrans-125.422.8-174.8-53.8-68.4000112.8L318 L346L318-Y348 HydrophobicContact CB-CD1 4.3Å; L318-Y348 HydrophobicContact CB-CE1 3.9Å; L318-Y348 HydrophobicContact CD1-CD1 4.45Å; L318-Y348 HydrophobicContact CD1-CE1 4.01Å; L346-Y348 PolarHBondContact O-N 3.19Å
349G76.7Confident85.9Confident15 Ų1570.4 Ų70.416%0.15537%0.373CS..EExtended strand (participates in β ladder)trans145.5-149.7-17800000112.5H331 L346H331-G349 VanDerWaalsContact CB-C 3.47Å; H331-G349 VanDerWaalsContact CB-O 3.31Å; H331-G349 WeakPolarHBondContact CB-O 3.43Å; H331-G349 PolarHBondContact CD2-N 3.46Å; H331-G349 PolarHBondContact CD2-O 3.11Å; H331-G349 PolarHBondContact NE2-N 3.43Å; L346-G349 CarbonylContact C-O 3.18Å; L346-G349 WeakPolarHBondContact CA-O 3.37Å; L346-G349 WeakPolarHBondContact CB-O 3.04Å; L346-G349 PolarHBondContact N-O 3.48Å; L346-G349 PolarHBondContact O-N 3.01Å
350Y83.7Confident85.8Confident69 Ų6970.2 Ų70.227%0.27138%0.381SS..EExtended strand (participates in β ladder)trans-133.5158.9178.559.7-83.7000109.5H331 H335 V344 F362H331-Y350 HydrophobicContact CB-CD1 4.05Å; H331-Y350 HydrophobicContact CB-CG 4.49Å; H335-Y350 HydrophobicContact CB-CD1 4.17Å; H335-Y350 HydrophobicContact CB-CD2 3.97Å; H335-Y350 HydrophobicContact CB-CE1 3.81Å; H335-Y350 HydrophobicContact CB-CE2 3.59Å; H335-Y350 HydrophobicContact CB-CG 4.26Å; H335-Y350 AromaticContact CD2-CD2 3.72Å; H335-Y350 AromaticContact CD2-CE2 3.02Å; H335-Y350 WeakPolarHBondContact CD2-CE2 3.47Å; H335-Y350 AromaticContact CD2-CZ 3.63Å; H335-Y350 AromaticContact CE1-CE2 3.89Å; H335-Y350 AromaticContact CE1-CZ 3.91Å; H335-Y350 PolarHBondContact CE1-OH 2.96Å; H335-Y350 VanDerWaalsContact CE1-OH 3.29Å; H335-Y350 AromaticContact CG-CD2 3.94Å; H335-Y350 AromaticContact CG-CE2 3.16Å; H335-Y350 AromaticContact CG-CZ 3.24Å; H335-Y350 AromaticContact ND1-CE2 3.75Å; H335-Y350 AromaticContact ND1-CZ 3.49Å; H335-Y350 PolarHBondContact ND1-OH 2.94Å; H335-Y350 AromaticContact NE2-CE2 3.51Å; V344-Y350 WeakPolarHBondContact O-CA 3.48Å; Y350-F362 HydrophobicContact CD2-CE1 4.45Å; Y350-F362 AromaticContact CE2-CD1 3.73Å; Y350-F362 HydrophobicContact CE2-CD1 3.73Å; Y350-F362 AromaticContact CE2-CE1 3.37Å; Y350-F362 HydrophobicContact CE2-CE1 3.37Å; Y350-F362 AromaticContact CZ-CE1 3.74Å; Y350-F362 WeakPolarHBondContact OH-CE1 3.4Å
351A87.4Confident85.8Confident42 Ų4270.1 Ų70.135%0.34738%0.381SS..EExtended strand (participates in β ladder)trans-136.4142.3171.500000109.8V344 L346V344-A351 PolarHBondContact N-O 2.04Å; V344-A351 PolarHBondContact O-N 3.23Å; L346-A351 HydrophobicContact CD1-CB 3.71Å
352C90.2Very high85.8Confident19 Ų1972.2 Ų72.213%0.12839%0.386CS..EExtended strand (participates in β ladder)trans-95.7123.7178.3-67.50000111C337 C354 E361C337-C352 VanDerWaalsContact CA-SG 3.6Å; C337-C352 HydrophobicContact CB-CB 3.68Å; C337-C352 WeakPolarHBondContact CB-SG 3.47Å; C337-C352 WeakPolarHBondContact SG-CA 3.01Å; C337-C352 WeakPolarHBondContact SG-CB 3.19Å; C337-C352 CovalentContact SG-SG 2.03Å; C337-C352 PolarHBondContact SG-SG 2.03Å; C352-C354 PolarHBondContact O-N 3.48Å; C352-E361 WeakPolarHBondContact CB-O 3.3Å
353K92.6Very high85.7Confident152 Ų15267.9 Ų67.966%0.66136%0.359SS*.EExtended strand (participates in β ladder)trans-88.5104.5169.7-174-178.2179.6-176.60108.9T342 V344T342-K353 PolarHBondContact N-O 2.82Å; T342-K353 PolarHBondContact O-N 3.36Å; V344-K353 HydrophobicContact CG2-CB 4.47Å
354C90.6Very high85.6Confident41 Ų4170.4 Ų70.428%0.27737%0.367SS..  trans-76.6143.7-176.6-52.60000113C352 A358 C363C352-C354 PolarHBondContact O-N 3.48Å; C354-A358 HydrophobicContact CB-CB 4.26Å; C354-C363 WeakPolarHBondContact CA-SG 2.98Å; C354-C363 HydrophobicContact CB-CB 3.82Å; C354-C363 WeakPolarHBondContact CB-SG 3.48Å; C354-C363 PolarHBondContact N-SG 3.05Å; C354-C363 WeakPolarHBondContact SG-CA 3Å; C354-C363 WeakPolarHBondContact SG-CB 3.13Å; C354-C363 CovalentContact SG-SG 2.04Å; C354-C363 PolarHBondContact SG-SG 2.93Å
355P88.5Confident85.5Confident34 Ų3471.5 Ų71.522%0.22137%0.371CS..  trans-65.8162.8167.427.4-33.1000111.1N339 Y357 A358N339-P355 WeakPolarHBondContact O-CG 3.02Å; P355-Y357 HydrophobicContact CB-CD1 4.15Å; P355-Y357 HydrophobicContact CB-CE1 3.69Å; P355-Y357 HydrophobicContact CB-CE2 4.45Å; P355-Y357 HydrophobicContact CG-CD1 4.43Å; P355-Y357 HydrophobicContact CG-CD2 4.37Å; P355-Y357 HydrophobicContact CG-CE1 3.85Å; P355-Y357 HydrophobicContact CG-CE2 3.73Å; P355-Y357 VanDerWaalsContact CG-CZ 3.43Å; P355-Y357 PolarHBondContact O-N 3.48Å; P355-A358 HydrophobicContact CG-CB 4.08Å; P355-A358 PolarHBondContact O-N 2.61Å
356E89.6Confident85.7Confident183 Ų18371.2 Ų71.286%0.85537%0.369SS*.THydrogen-bonded Turntrans-58.4-20.6-170.6-64.2-166.2151.700115.5K367E356-K367 WeakPolarHBondContact O-CD 3.35Å
357Y88.3Confident86.1Confident46 Ų4672 Ų7218%0.1837%0.369CS..THydrogen-bonded Turntrans-95.3-3.3-179.861.4-103.4000114.2N339 P355 L366 K367 K385N339-Y357 HydrophobicContact CB-CE2 4.25Å; N339-Y357 PolarHBondContact O-OH 2.85Å; P355-Y357 HydrophobicContact CB-CD1 4.15Å; P355-Y357 HydrophobicContact CB-CE1 3.69Å; P355-Y357 HydrophobicContact CB-CE2 4.45Å; P355-Y357 HydrophobicContact CG-CD1 4.43Å; P355-Y357 HydrophobicContact CG-CD2 4.37Å; P355-Y357 HydrophobicContact CG-CE1 3.85Å; P355-Y357 HydrophobicContact CG-CE2 3.73Å; P355-Y357 VanDerWaalsContact CG-CZ 3.43Å; P355-Y357 PolarHBondContact O-N 3.48Å; Y357-L366 HydrophobicContact CD2-CD2 3.88Å; Y357-L366 HydrophobicContact CE2-CD2 4.39Å; Y357-K367 WeakPolarHBondContact O-CB 3.38Å; Y357-K367 PolarHBondContact O-N 3.29Å; Y357-K385 HydrophobicContact CD2-CG 3.9Å; Y357-K385 HydrophobicContact CE2-CD 4.23Å; Y357-K385 VanDerWaalsContact CE2-CE 3.41Å; Y357-K385 HydrophobicContact CE2-CG 3.94Å; Y357-K385 HydrophobicContact CG-CG 4.4Å; Y357-K385 VanDerWaalsContact OH-CE 3.24Å; Y357-K385 WeakPolarHBondContact OH-CE 3.24Å
358A89.7Confident86.9Confident8 Ų872 Ų727%0.06636%0.364CS..EExtended strand (participates in β ladder)trans-119.9152.1-178.300000111.6N339 C354 P355 C363 D365N339-A358 HydrophobicContact CB-CB 3.99Å; C354-A358 HydrophobicContact CB-CB 4.26Å; P355-A358 HydrophobicContact CG-CB 4.08Å; P355-A358 PolarHBondContact O-N 2.61Å; A358-C363 HydrophobicContact CB-CB 4.24Å; A358-D365 CarbonylContact C-O 3.44Å; A358-D365 VanDerWaalsContact CA-O 3.23Å; A358-D365 WeakPolarHBondContact CA-O 3.28Å
359T89Confident87.6Confident61 Ų6165.3 Ų65.337%0.37434%0.342SS..EExtended strand (participates in β ladder)trans-140.5173.9179.754.40000109.5C363 E364 D365 K367T359-C363 CarbonylContact O-C 3.55Å; T359-C363 WeakPolarHBondContact O-CA 3.35Å; T359-E364 PolarHBondContact O-N 2.76Å; T359-D365 PolarHBondContact N-O 3.14Å; T359-D365 WeakPolarHBondContact O-CB 3.5Å; T359-D365 PolarHBondContact O-N 2.99Å; T359-D365 VanDerWaalsContact O-O 3.14Å; T359-K367 HydrophobicContact CG2-CB 4.17Å; T359-K367 HydrophobicContact CG2-CG 4.36Å
360G87.3Confident88Confident41 Ų4165.9 Ų65.942%0.42334%0.343SS..SBendtrans104.6171.4-173.300000112
361E87.9Confident88Confident142 Ų14270.2 Ų70.266%0.66436%0.363SS*.SBendtrans-75.4-31-179.8-172.6175176.200111.4C352 E364C352-E361 WeakPolarHBondContact CB-O 3.3Å; E361-E364 PolarHBondContact N-OE1 3.44Å; E361-E364 PolarHBondContact N-OE2 2.79Å
362F88.9Confident87.7Confident59 Ų5972.4 Ų72.426%0.25937%0.369SS..SBendtrans-115.714.8-179.4-51.9-65.3000112.3H335 E338 Y350 E364H335-F362 AromaticContact CE1-CD1 3.71Å; H335-F362 AromaticContact NE2-CD1 3.13Å; H335-F362 WeakPolarHBondContact NE2-CD1 3.38Å; H335-F362 AromaticContact NE2-CE1 3.82Å; H335-F362 AromaticContact NE2-CG 3.65Å; E338-F362 PolarHBondContact N-O 3.41Å; Y350-F362 HydrophobicContact CD2-CE1 4.45Å; Y350-F362 AromaticContact CE2-CD1 3.73Å; Y350-F362 HydrophobicContact CE2-CD1 3.73Å; Y350-F362 AromaticContact CE2-CE1 3.37Å; Y350-F362 HydrophobicContact CE2-CE1 3.37Å; Y350-F362 AromaticContact CZ-CE1 3.74Å; Y350-F362 WeakPolarHBondContact OH-CE1 3.4Å; F362-E364 VanDerWaalsContact C-OE2 3.23Å; F362-E364 VanDerWaalsContact CA-OE2 3.28Å; F362-E364 WeakPolarHBondContact CA-OE2 3.38Å; F362-E364 PolarHBondContact N-OE2 3.29Å; F362-E364 PolarHBondContact O-N 3.01Å
363C89.7Confident87Confident0 Ų080.4 Ų80.40%041%0.405CS..SBendtrans62.128.8-176.5-45.90000113.6E338 N339 C354 A358 T359E338-C363 VanDerWaalsContact O-CB 3.3Å; E338-C363 WeakPolarHBondContact O-CB 3.23Å; N339-C363 WeakPolarHBondContact CB-O 3.47Å; N339-C363 PolarHBondContact ND2-O 2.93Å; C354-C363 WeakPolarHBondContact CA-SG 2.98Å; C354-C363 HydrophobicContact CB-CB 3.82Å; C354-C363 WeakPolarHBondContact CB-SG 3.48Å; C354-C363 PolarHBondContact N-SG 3.05Å; C354-C363 WeakPolarHBondContact SG-CA 3Å; C354-C363 WeakPolarHBondContact SG-CB 3.13Å; C354-C363 CovalentContact SG-SG 2.04Å; C354-C363 PolarHBondContact SG-SG 2.93Å; A358-C363 HydrophobicContact CB-CB 4.24Å; T359-C363 CarbonylContact O-C 3.55Å; T359-C363 WeakPolarHBondContact O-CA 3.35Å
364E89.1Confident86.4Confident88 Ų8878.6 Ų78.641%0.41140%0.402SS..  trans-70.3-29.5-177.564.4-83.9-157.800113.2N339 T359 E361 F362N339-E364 PolarHBondContact ND2-O 3.49Å; T359-E364 PolarHBondContact O-N 2.76Å; E361-E364 PolarHBondContact N-OE1 3.44Å; E361-E364 PolarHBondContact N-OE2 2.79Å; F362-E364 VanDerWaalsContact C-OE2 3.23Å; F362-E364 VanDerWaalsContact CA-OE2 3.28Å; F362-E364 WeakPolarHBondContact CA-OE2 3.38Å; F362-E364 PolarHBondContact N-OE2 3.29Å; F362-E364 PolarHBondContact O-N 3.01Å
365D88.1Confident86.2Confident89 Ų8977.5 Ų77.548%0.47639%0.393SS..EExtended strand (participates in β ladder)trans-97.2139.5-175-65.7-43.6000111.4A358 T359A358-D365 CarbonylContact C-O 3.44Å; A358-D365 VanDerWaalsContact CA-O 3.23Å; A358-D365 WeakPolarHBondContact CA-O 3.28Å; T359-D365 PolarHBondContact N-O 3.14Å; T359-D365 WeakPolarHBondContact O-CB 3.5Å; T359-D365 PolarHBondContact O-N 2.99Å; T359-D365 VanDerWaalsContact O-O 3.14Å
366L86Confident86.1Confident58 Ų5876 Ų7630%0.30438%0.384SS..EExtended strand (participates in β ladder)trans-80.9133.1164.4-68176.1000109.1Y357 D368 K385Y357-L366 HydrophobicContact CD2-CD2 3.88Å; Y357-L366 HydrophobicContact CE2-CD2 4.39Å; L366-D368 PolarHBondContact O-N 3.39Å; L366-D368 VanDerWaalsContact O-N 3.15Å; L366-K385 HydrophobicContact CD1-CB 4.33Å; L366-K385 HydrophobicContact CD2-CB 4.34Å; L366-K385 HydrophobicContact CD2-CG 4.28Å
367K85.3Confident85.9Confident95 Ų9568.8 Ų68.841%0.41336%0.358SS..PPolyproline II helixtrans-52.3124.1175.3-173.8175.4-177.4177.30109.3E356 Y357 T359 N369 N383E356-K367 WeakPolarHBondContact O-CD 3.35Å; Y357-K367 WeakPolarHBondContact O-CB 3.38Å; Y357-K367 PolarHBondContact O-N 3.29Å; T359-K367 HydrophobicContact CG2-CB 4.17Å; T359-K367 HydrophobicContact CG2-CG 4.36Å; K367-N369 PolarHBondContact O-N 3.08Å; K367-N369 VanDerWaalsContact O-N 3.09Å; K367-N369 PolarHBondContact O-ND2 3.03Å; K367-N383 PolarHBondContact O-ND2 3.04Å; K367-N383 PolarHBondContact O-OD1 2.73Å
368D85.4Confident85.9Confident80 Ų8071.1 Ų71.143%0.42837%0.37SS..  trans-68.9109.5-179.3-175.717.2000110.6L366 C370 K371L366-D368 PolarHBondContact O-N 3.39Å; L366-D368 VanDerWaalsContact O-N 3.15Å; D368-C370 WeakPolarHBondContact OD1-CA 3.44Å; D368-C370 WeakPolarHBondContact OD1-CB 2.77Å; D368-C370 PolarHBondContact OD1-N 3.15Å; D368-K371 WeakPolarHBondContact O-CE 3.13Å; D368-K371 WeakPolarHBondContact O-CG 3.46Å
369N84.7Confident85.8Confident49 Ų4971.6 Ų71.626%0.26238%0.376SS..  trans-95.32.6175-57.9-65.9000112.1K367 Q375 N383 G387 Y388K367-N369 PolarHBondContact O-N 3.08Å; K367-N369 VanDerWaalsContact O-N 3.09Å; K367-N369 PolarHBondContact O-ND2 3.03Å; N369-Q375 PolarHBondContact O-OE1 3.3Å; N369-N383 WeakPolarHBondContact CB-OD1 3.2Å; N369-N383 PolarHBondContact N-OD1 3.25Å; N369-N383 PolarHBondContact ND2-OD1 3.18Å; N369-G387 WeakPolarHBondContact ND2-CA 3.46Å; N369-G387 PolarHBondContact ND2-N 2.97Å; N369-G387 PolarHBondContact ND2-O 3.09Å; N369-G387 VanDerWaalsContact ND2-O 3.08Å; N369-Y388 HydrophobicContact CB-CD1 4.03Å; N369-Y388 HydrophobicContact CB-CG 4.48Å; N369-Y388 WeakPolarHBondContact O-CD1 3.36Å
370C86.9Confident85.8Confident27 Ų2775 Ų7518%0.18238%0.383CS..  trans-95.431.1178.5-71.70000113.6D368 D372 Q375 C381 R382 N383D368-C370 WeakPolarHBondContact OD1-CA 3.44Å; D368-C370 WeakPolarHBondContact OD1-CB 2.77Å; D368-C370 PolarHBondContact OD1-N 3.15Å; C370-D372 PolarHBondContact O-N 3.03Å; C370-Q375 PolarHBondContact O-NE2 2.65Å; C370-C381 WeakPolarHBondContact CA-SG 3.43Å; C370-C381 HydrophobicContact CB-CB 3.69Å; C370-C381 WeakPolarHBondContact CB-SG 3.18Å; C370-C381 VanDerWaalsContact SG-C 3.51Å; C370-C381 WeakPolarHBondContact SG-CB 3.36Å; C370-C381 CovalentContact SG-SG 2.04Å; C370-C381 PolarHBondContact SG-SG 3.15Å; C370-R382 VanDerWaalsContact SG-C 3.59Å; C370-N383 PolarHBondContact SG-N 2.84Å; C370-N383 VanDerWaalsContact SG-N 3.44Å
371K82.2Confident85.9Confident160 Ų16074.7 Ų74.770%0.69637%0.374SS*.  trans-73.1-25.8-171.9-62.8-171.4179.4-170.50115.5D368D368-K371 WeakPolarHBondContact O-CE 3.13Å; D368-K371 WeakPolarHBondContact O-CG 3.46Å
372D81.1Confident86Confident89 Ų8973.6 Ų73.648%0.47636%0.364SS..  trans-92.4109.8-179.4174.58.6000109.6C370 N374 Q375C370-D372 PolarHBondContact O-N 3.03Å; D372-N374 PolarHBondContact O-N 2.93Å; D372-N374 PolarHBondContact OD1-N 3.32Å; D372-Q375 HydrophobicContact CB-CB 3.99Å; D372-Q375 VanDerWaalsContact O-CB 3.31Å; D372-Q375 WeakPolarHBondContact O-CB 3.31Å; D372-Q375 WeakPolarHBondContact O-CG 3.35Å; D372-Q375 PolarHBondContact O-N 2.69Å; D372-Q375 PolarHBondContact O-NE2 2.6Å
373E76.4Confident85.9Confident186 Ų18673.2 Ų73.287%0.86936%0.364SS*.THydrogen-bonded Turntrans-55.3-26.5-178.8-158170.9-16600112.4
374N79.2Confident85.6Confident115 Ų11577.6 Ų77.662%0.61538%0.383SS*.THydrogen-bonded Turntrans-100.66179.9-70-47.2000114.4D372 C376 G377D372-N374 PolarHBondContact O-N 2.93Å; D372-N374 PolarHBondContact OD1-N 3.32Å; N374-C376 PolarHBondContact O-N 2.87Å; N374-G377 PolarHBondContact O-N 3.09Å
375Q86.3Confident85.3Confident18 Ų1878.6 Ų78.68%0.08439%0.386CS..THydrogen-bonded Turntrans-64-27.8-176.874.4-148.9-34.400113N369 C370 D372 C381 Y388 S400N369-Q375 PolarHBondContact O-OE1 3.3Å; C370-Q375 PolarHBondContact O-NE2 2.65Å; D372-Q375 HydrophobicContact CB-CB 3.99Å; D372-Q375 VanDerWaalsContact O-CB 3.31Å; D372-Q375 WeakPolarHBondContact O-CB 3.31Å; D372-Q375 WeakPolarHBondContact O-CG 3.35Å; D372-Q375 PolarHBondContact O-N 2.69Å; D372-Q375 PolarHBondContact O-NE2 2.6Å; Q375-C381 HydrophobicContact CG-CB 4.42Å; Q375-C381 VanDerWaalsContact NE2-CB 3.33Å; Q375-C381 PolarHBondContact NE2-SG 2.86Å; Q375-Y388 HydrophobicContact CB-CE2 4.29Å; Q375-Y388 HydrophobicContact CG-CD2 4.33Å; Q375-Y388 HydrophobicContact CG-CE2 3.89Å; Q375-S400 WeakPolarHBondContact O-CB 3.37Å
376C88Confident84.9Confident3 Ų377.1 Ų77.12%0.0239%0.392CS..THydrogen-bonded Turntrans-107.413.3-178-65.20000114N374 Q378 G379 C381 C390 S400 C401N374-C376 PolarHBondContact O-N 2.87Å; C376-Q378 CarbonylContact O-C 3.55Å; C376-Q378 PolarHBondContact O-N 3.17Å; C376-G379 WeakPolarHBondContact CB-O 3.44Å; C376-G379 PolarHBondContact O-N 3.44Å; C376-C381 VanDerWaalsContact SG-CA 3.6Å; C376-C381 VanDerWaalsContact SG-CB 3.54Å; C376-C390 WeakPolarHBondContact CA-SG 3.43Å; C376-C390 HydrophobicContact CB-CB 3.55Å; C376-C390 WeakPolarHBondContact CB-SG 3.09Å; C376-C390 WeakPolarHBondContact SG-CA 3.45Å; C376-C390 WeakPolarHBondContact SG-CB 3.06Å; C376-C390 CovalentContact SG-SG 2.03Å; C376-C390 PolarHBondContact SG-SG 2.97Å; C376-S400 CarbonylContact C-O 3.47Å; C376-S400 WeakPolarHBondContact CA-O 3.45Å; C376-C401 VanDerWaalsContact O-CB 3.22Å; C376-C401 WeakPolarHBondContact O-CB 3.03Å
377G84.9Confident84.8Confident30 Ų3075.2 Ų75.231%0.30939%0.387SS..SBendtrans51.9-112.2175.100000111.7N374 S400N374-G377 PolarHBondContact O-N 3.09Å; G377-S400 PolarHBondContact N-O 3.24Å
378Q87Confident84.9Confident96 Ų9675.6 Ų75.645%0.44939%0.386SS..SBendtrans-103.976.8175.3-63.9-74.8-6.100109.6C376 D393 Y396 C401C376-Q378 CarbonylContact O-C 3.55Å; C376-Q378 PolarHBondContact O-N 3.17Å; Q378-D393 PolarHBondContact O-N 3.39Å; Q378-Y396 HydrophobicContact CB-CD1 3.68Å; Q378-Y396 HydrophobicContact CB-CD2 3.46Å; Q378-Y396 VanDerWaalsContact CB-CD2 3.46Å; Q378-Y396 HydrophobicContact CB-CE1 3.79Å; Q378-Y396 HydrophobicContact CB-CE2 3.56Å; Q378-Y396 HydrophobicContact CB-CG 3.52Å; Q378-Y396 HydrophobicContact CG-CD1 4Å; Q378-Y396 HydrophobicContact CG-CD2 4.17Å; Q378-Y396 HydrophobicContact CG-CE1 3.58Å; Q378-Y396 HydrophobicContact CG-CE2 3.76Å; Q378-Y396 HydrophobicContact CG-CG 4.28Å; Q378-Y396 VanDerWaalsContact CG-CZ 3.45Å; Q378-C401 PolarHBondContact N-O 3.44Å; Q378-C401 VanDerWaalsContact O-CB 3.23Å; Q378-C401 WeakPolarHBondContact O-CB 3.45Å
379G88.2Confident85.2Confident18 Ų1874.1 Ų74.119%0.18638%0.377CS..EExtended strand (participates in β ladder)trans175.6165.3-178.300000110.8C376 I391 D393C376-G379 WeakPolarHBondContact CB-O 3.44Å; C376-G379 PolarHBondContact O-N 3.44Å; G379-I391 CarbonylContact C-O 3.56Å; G379-I391 WeakPolarHBondContact CA-O 3.5Å; G379-D393 PolarHBondContact N-OD2 2.93Å
380Y89.2Confident85.4Confident132 Ų13272.8 Ų72.852%0.51837%0.371SS..EExtended strand (participates in β ladder)trans-98.4145.7179.374.1-90000112I391Y380-I391 HydrophobicContact CD1-CB 3.86Å; Y380-I391 HydrophobicContact CD1-CG2 4.07Å; Y380-I391 HydrophobicContact CD2-CB 4.41Å; Y380-I391 HydrophobicContact CE1-CB 3.44Å; Y380-I391 VanDerWaalsContact CE1-CB 3.44Å; Y380-I391 HydrophobicContact CE1-CD1 4.21Å; Y380-I391 HydrophobicContact CE1-CG1 4.37Å; Y380-I391 HydrophobicContact CE1-CG2 3.31Å; Y380-I391 HydrophobicContact CE2-CB 4.05Å; Y380-I391 HydrophobicContact CE2-CD1 3.58Å; Y380-I391 HydrophobicContact CE2-CG1 4.21Å; Y380-I391 HydrophobicContact CG-CB 4.34Å; Y380-I391 PolarHBondContact N-O 3.31Å; Y380-I391 PolarHBondContact O-N 2.97Å; Y380-I391 WeakPolarHBondContact OH-CD1 3.44Å
381C90.2Very high85.6Confident34 Ų3473.8 Ų73.823%0.2337%0.374CS..EExtended strand (participates in β ladder)trans-86.9133177.1-171.10000111.3C370 Q375 C376 Y388C370-C381 WeakPolarHBondContact CA-SG 3.43Å; C370-C381 HydrophobicContact CB-CB 3.69Å; C370-C381 WeakPolarHBondContact CB-SG 3.18Å; C370-C381 VanDerWaalsContact SG-C 3.51Å; C370-C381 WeakPolarHBondContact SG-CB 3.36Å; C370-C381 CovalentContact SG-SG 2.04Å; C370-C381 PolarHBondContact SG-SG 3.15Å; Q375-C381 HydrophobicContact CG-CB 4.42Å; Q375-C381 VanDerWaalsContact NE2-CB 3.33Å; Q375-C381 PolarHBondContact NE2-SG 2.86Å; C376-C381 VanDerWaalsContact SG-CA 3.6Å; C376-C381 VanDerWaalsContact SG-CB 3.54Å; C381-Y388 VanDerWaalsContact SG-CB 3.6Å; C381-Y388 VanDerWaalsContact SG-CD2 3.53Å
382R89.6Confident85.9Confident120 Ų12068.3 Ų68.345%0.45336%0.356SS..EExtended strand (participates in β ladder)trans-115.1118.6171.3-176.5168.474.7-176.8-0.4109.8C370 Y388 E389 I391C370-R382 VanDerWaalsContact SG-C 3.59Å; R382-Y388 WeakPolarHBondContact O-CA 3.31Å; R382-E389 HydrophobicContact CB-CG 4.05Å; R382-E389 IonicContact CZ-OE1 2.99Å; R382-E389 PolarHBondContact N-O 3.06Å; R382-E389 IonicContact NE-OE1 2.65Å; R382-E389 PolarHBondContact NE-OE1 2.81Å; R382-E389 VanDerWaalsContact NH2-CD 3.32Å; R382-E389 IonicContact NH2-OE1 2.6Å; R382-E389 PolarHBondContact NH2-OE1 3.35Å; R382-E389 IonicContact NH2-OE2 3.58Å; R382-E389 PolarHBondContact O-N 3.44Å; R382-I391 HydrophobicContact CB-CD1 4.26Å
383N86.1Confident86.2Confident50 Ų5067.7 Ų67.727%0.26735%0.352SS..EExtended strand (participates in β ladder)trans-71141177.6-162.636000110.7K367 N369 C370 G387K367-N383 PolarHBondContact O-ND2 3.04Å; K367-N383 PolarHBondContact O-OD1 2.73Å; N369-N383 WeakPolarHBondContact CB-OD1 3.2Å; N369-N383 PolarHBondContact N-OD1 3.25Å; N369-N383 PolarHBondContact ND2-OD1 3.18Å; C370-N383 PolarHBondContact SG-N 2.84Å; C370-N383 VanDerWaalsContact SG-N 3.44Å; N383-G387 PolarHBondContact OD1-O 2.03Å; N383-G387 VanDerWaalsContact OD1-O 3.09Å
384K84.2Confident86.5Confident92 Ų9268.2 Ų68.240%0.435%0.354SS..EExtended strand (participates in β ladder)trans-136.5163.8-177.1-85.1-176.6146.6168.20111.1G386 G387 E389K384-G386 PolarHBondContact O-N 3.05Å; K384-G387 CarbonylContact C-O 3.47Å; K384-G387 PolarHBondContact N-O 2.04Å; K384-G387 PolarHBondContact O-N 3.42Å; K384-G387 VanDerWaalsContact O-N 3.14Å; K384-E389 HydrophobicContact CD-CB 4.42Å; K384-E389 HydrophobicContact CD-CG 4.22Å; K384-E389 WeakPolarHBondContact CD-OE1 3.02Å; K384-E389 VanDerWaalsContact CE-CD 3.42Å; K384-E389 WeakPolarHBondContact CE-OE1 2.98Å; K384-E389 IonicContact NZ-OE1 2.86Å; K384-E389 PolarHBondContact NZ-OE1 2.86Å; K384-E389 IonicContact NZ-OE2 2.69Å; K384-E389 PolarHBondContact NZ-OE2 3.35Å
385K82.2Confident86.5Confident109 Ų10963.6 Ų63.647%0.47433%0.334SS..THydrogen-bonded Turntrans-58.4112.9172.3-172.3178.1-178.3177.70109.2E340 Y357 L366E340-K385 IonicContact OE1-NZ 2.62Å; E340-K385 PolarHBondContact OE1-NZ 3.11Å; Y357-K385 HydrophobicContact CD2-CG 3.9Å; Y357-K385 HydrophobicContact CE2-CD 4.23Å; Y357-K385 VanDerWaalsContact CE2-CE 3.41Å; Y357-K385 HydrophobicContact CE2-CG 3.94Å; Y357-K385 HydrophobicContact CG-CG 4.4Å; Y357-K385 VanDerWaalsContact OH-CE 3.24Å; Y357-K385 WeakPolarHBondContact OH-CE 3.24Å; L366-K385 HydrophobicContact CD1-CB 4.33Å; L366-K385 HydrophobicContact CD2-CB 4.34Å; L366-K385 HydrophobicContact CD2-CG 4.28Å
386G79.5Confident86.5Confident58 Ų5866.1 Ų66.160%0.59834%0.343SS*.THydrogen-bonded Turntrans78.413.7179.200000116.3K384K384-G386 PolarHBondContact O-N 3.05Å
387G84.7Confident86.3Confident19 Ų1969.5 Ų69.520%0.19636%0.364CS..EExtended strand (participates in β ladder)trans172.3-156.3176.800000114.3N369 N383 K384N369-G387 WeakPolarHBondContact ND2-CA 3.46Å; N369-G387 PolarHBondContact ND2-N 2.97Å; N369-G387 PolarHBondContact ND2-O 3.09Å; N369-G387 VanDerWaalsContact ND2-O 3.08Å; N383-G387 PolarHBondContact OD1-O 2.03Å; N383-G387 VanDerWaalsContact OD1-O 3.09Å; K384-G387 CarbonylContact C-O 3.47Å; K384-G387 PolarHBondContact N-O 2.04Å; K384-G387 PolarHBondContact O-N 3.42Å; K384-G387 VanDerWaalsContact O-N 3.14Å
388Y87.8Confident86.3Confident102 Ų10269.9 Ų69.940%0.437%0.368SS..EExtended strand (participates in β ladder)trans-137.616517569.6-80.9000110.6N369 Q375 C381 R382N369-Y388 HydrophobicContact CB-CD1 4.03Å; N369-Y388 HydrophobicContact CB-CG 4.48Å; N369-Y388 WeakPolarHBondContact O-CD1 3.36Å; Q375-Y388 HydrophobicContact CB-CE2 4.29Å; Q375-Y388 HydrophobicContact CG-CD2 4.33Å; Q375-Y388 HydrophobicContact CG-CE2 3.89Å; C381-Y388 VanDerWaalsContact SG-CB 3.6Å; C381-Y388 VanDerWaalsContact SG-CD2 3.53Å; R382-Y388 WeakPolarHBondContact O-CA 3.31Å
389E89.9Confident86.2Confident50 Ų5074.8 Ų74.823%0.23439%0.388CS..EExtended strand (participates in β ladder)trans-135.2149.6166.176-165.8134.800110.8R382 K384R382-E389 HydrophobicContact CB-CG 4.05Å; R382-E389 IonicContact CZ-OE1 2.99Å; R382-E389 PolarHBondContact N-O 3.06Å; R382-E389 IonicContact NE-OE1 2.65Å; R382-E389 PolarHBondContact NE-OE1 2.81Å; R382-E389 VanDerWaalsContact NH2-CD 3.32Å; R382-E389 IonicContact NH2-OE1 2.6Å; R382-E389 PolarHBondContact NH2-OE1 3.35Å; R382-E389 IonicContact NH2-OE2 3.58Å; R382-E389 PolarHBondContact O-N 3.44Å; K384-E389 HydrophobicContact CD-CB 4.42Å; K384-E389 HydrophobicContact CD-CG 4.22Å; K384-E389 WeakPolarHBondContact CD-OE1 3.02Å; K384-E389 VanDerWaalsContact CE-CD 3.42Å; K384-E389 WeakPolarHBondContact CE-OE1 2.98Å; K384-E389 IonicContact NZ-OE1 2.86Å; K384-E389 PolarHBondContact NZ-OE1 2.86Å; K384-E389 IonicContact NZ-OE2 2.69Å; K384-E389 PolarHBondContact NZ-OE2 3.35Å
390C90.4Very high86.1Confident20 Ų2076 Ų7614%0.13539%0.393CS..EExtended strand (participates in β ladder)trans-98.6133.2175.6-60.50000110.4C376 K399C376-C390 WeakPolarHBondContact CA-SG 3.43Å; C376-C390 HydrophobicContact CB-CB 3.55Å; C376-C390 WeakPolarHBondContact CB-SG 3.09Å; C376-C390 WeakPolarHBondContact SG-CA 3.45Å; C376-C390 WeakPolarHBondContact SG-CB 3.06Å; C376-C390 CovalentContact SG-SG 2.03Å; C376-C390 PolarHBondContact SG-SG 2.97Å; C390-K399 WeakPolarHBondContact CB-O 3.22Å; C390-K399 PolarHBondContact SG-O 3.05Å; C390-K399 VanDerWaalsContact SG-O 3.42Å
391I89.8Confident86.1Confident49 Ų4969.7 Ų69.725%0.25137%0.369SS..EExtended strand (participates in β ladder)trans-108.5108.8173.9-61.7175.3000106.7G379 Y380 R382G379-I391 CarbonylContact C-O 3.56Å; G379-I391 WeakPolarHBondContact CA-O 3.5Å; Y380-I391 HydrophobicContact CD1-CB 3.86Å; Y380-I391 HydrophobicContact CD1-CG2 4.07Å; Y380-I391 HydrophobicContact CD2-CB 4.41Å; Y380-I391 HydrophobicContact CE1-CB 3.44Å; Y380-I391 VanDerWaalsContact CE1-CB 3.44Å; Y380-I391 HydrophobicContact CE1-CD1 4.21Å; Y380-I391 HydrophobicContact CE1-CG1 4.37Å; Y380-I391 HydrophobicContact CE1-CG2 3.31Å; Y380-I391 HydrophobicContact CE2-CB 4.05Å; Y380-I391 HydrophobicContact CE2-CD1 3.58Å; Y380-I391 HydrophobicContact CE2-CG1 4.21Å; Y380-I391 HydrophobicContact CG-CB 4.34Å; Y380-I391 PolarHBondContact N-O 3.31Å; Y380-I391 PolarHBondContact O-N 2.97Å; Y380-I391 WeakPolarHBondContact OH-CD1 3.44Å; R382-I391 HydrophobicContact CB-CD1 4.26Å
392C88.2Confident86Confident45 Ų4574.7 Ų74.730%0.30439%0.387SS..EExtended strand (participates in β ladder)trans-75.5143.2-170.1-52.60000112.6G398 C401C392-G398 PolarHBondContact SG-O 3.31Å; C392-G398 VanDerWaalsContact SG-O 3.35Å; C392-C401 WeakPolarHBondContact CA-SG 3.13Å; C392-C401 HydrophobicContact CB-CB 3.49Å; C392-C401 VanDerWaalsContact CB-CB 3.49Å; C392-C401 WeakPolarHBondContact CB-SG 2.96Å; C392-C401 PolarHBondContact N-SG 2.96Å; C392-C401 VanDerWaalsContact N-SG 3.36Å; C392-C401 VanDerWaalsContact SG-CA 3.51Å; C392-C401 WeakPolarHBondContact SG-CB 2.98Å; C392-C401 CovalentContact SG-SG 2.03Å; C392-C401 PolarHBondContact SG-SG 3.22Å
393D88.4Confident85.7Confident75 Ų7573 Ų7340%0.40139%0.389SS..PPolyproline II helixtrans-69.7158.7170.4-62.7-31.4000110.4Q378 G379 G395 Y396Q378-D393 PolarHBondContact O-N 3.39Å; G379-D393 PolarHBondContact N-OD2 2.93Å; D393-G395 PolarHBondContact O-N 3.24Å; D393-Y396 PolarHBondContact O-N 3.05Å; D393-Y396 VanDerWaalsContact O-N 3.1Å
394E83Confident85.3Confident197 Ų19776.1 Ų76.192%0.92140%0.401SS*.THydrogen-bonded Turntrans-56.6131.7177.6-69.6-170.1166.800111
395G79Confident85Confident18 Ų1875.6 Ų75.619%0.18640%0.402CS..THydrogen-bonded Turntrans93-2.8-175.800000115.1D393 K404 I405D393-G395 PolarHBondContact O-N 3.24Å; G395-K404 CarbonylContact O-C 3.51Å; G395-K404 WeakPolarHBondContact O-CA 3.47Å; G395-I405 WeakPolarHBondContact O-CG1 3.49Å; G395-I405 PolarHBondContact O-N 2.91Å
396Y87Confident84.6Confident71 Ų7175.3 Ų75.328%0.27841%0.405SS..EExtended strand (participates in β ladder)trans-121.8151.7176.1-67.3-91.8000112.9Q378 D393 T403 K404Q378-Y396 HydrophobicContact CB-CD1 3.68Å; Q378-Y396 HydrophobicContact CB-CD2 3.46Å; Q378-Y396 VanDerWaalsContact CB-CD2 3.46Å; Q378-Y396 HydrophobicContact CB-CE1 3.79Å; Q378-Y396 HydrophobicContact CB-CE2 3.56Å; Q378-Y396 HydrophobicContact CB-CG 3.52Å; Q378-Y396 HydrophobicContact CG-CD1 4Å; Q378-Y396 HydrophobicContact CG-CD2 4.17Å; Q378-Y396 HydrophobicContact CG-CE1 3.58Å; Q378-Y396 HydrophobicContact CG-CE2 3.76Å; Q378-Y396 HydrophobicContact CG-CG 4.28Å; Q378-Y396 VanDerWaalsContact CG-CZ 3.45Å; D393-Y396 PolarHBondContact O-N 3.05Å; D393-Y396 VanDerWaalsContact O-N 3.1Å; Y396-T403 CarbonylContact C-O 3.52Å; Y396-T403 WeakPolarHBondContact CA-O 3.42Å; Y396-K404 HydrophobicContact CE1-CB 4.25Å
397T83.9Confident84.4Confident74 Ų7477 Ų7745%0.45439%0.394SS..EExtended strand (participates in β ladder)trans-143.8171.7-178.9-168.50000112.3C401 T403 I405T397-C401 WeakPolarHBondContact O-CA 3.33Å; T397-T403 HydrophobicContact CG2-CG2 3.95Å; T397-T403 PolarHBondContact N-O 3.36Å; T397-T403 WeakPolarHBondContact O-CB 3.12Å; T397-T403 PolarHBondContact O-N 2.03Å; T397-I405 HydrophobicContact CG2-CG1 4.32Å
398G84Confident84.2Confident39 Ų3977.4 Ų77.440%0.40239%0.393SS..SBendtrans92.6165.5-177.800000114.1C392 S400 C401C392-G398 PolarHBondContact SG-O 3.31Å; C392-G398 VanDerWaalsContact SG-O 3.35Å; G398-S400 PolarHBondContact O-N 3.03Å; G398-C401 PolarHBondContact O-N 3.25Å; G398-C401 VanDerWaalsContact O-N 3.11Å
399K85.3Confident83.7Confident199 Ų19976 Ų7687%0.86540%0.403SS*.THydrogen-bonded Turntrans-60.4-18.8-176.8-69.2-174178-177.70114.9C390C390-K399 WeakPolarHBondContact CB-O 3.22Å; C390-K399 PolarHBondContact SG-O 3.05Å; C390-K399 VanDerWaalsContact SG-O 3.42Å
400S86.8Confident83.1Confident42 Ų4281.7 Ų81.729%0.29444%0.435SS..THydrogen-bonded Turntrans-122.310.7-179.7-53.50000112.6Q375 C376 G377 G398 K402Q375-S400 WeakPolarHBondContact O-CB 3.37Å; C376-S400 CarbonylContact C-O 3.47Å; C376-S400 WeakPolarHBondContact CA-O 3.45Å; G377-S400 PolarHBondContact N-O 3.24Å; G398-S400 PolarHBondContact O-N 3.03Å; S400-K402 WeakPolarHBondContact O-CG 3.23Å; S400-K402 PolarHBondContact O-N 2.78Å
401C88.4Confident82.5Confident0 Ų082.2 Ų82.20%044%0.436CS..SBendtrans47.337.4179.4-37.70000115.2C376 Q378 C392 T397 G398C376-C401 VanDerWaalsContact O-CB 3.22Å; C376-C401 WeakPolarHBondContact O-CB 3.03Å; Q378-C401 PolarHBondContact N-O 3.44Å; Q378-C401 VanDerWaalsContact O-CB 3.23Å; Q378-C401 WeakPolarHBondContact O-CB 3.45Å; C392-C401 WeakPolarHBondContact CA-SG 3.13Å; C392-C401 HydrophobicContact CB-CB 3.49Å; C392-C401 VanDerWaalsContact CB-CB 3.49Å; C392-C401 WeakPolarHBondContact CB-SG 2.96Å; C392-C401 PolarHBondContact N-SG 2.96Å; C392-C401 VanDerWaalsContact N-SG 3.36Å; C392-C401 VanDerWaalsContact SG-CA 3.51Å; C392-C401 WeakPolarHBondContact SG-CB 2.98Å; C392-C401 CovalentContact SG-SG 2.03Å; C392-C401 PolarHBondContact SG-SG 3.22Å; T397-C401 WeakPolarHBondContact O-CA 3.33Å; G398-C401 PolarHBondContact O-N 3.25Å; G398-C401 VanDerWaalsContact O-N 3.11Å
402K87Confident82.2Confident140 Ų14087.6 Ų87.661%0.60946%0.46SS*.  trans-97.3-13178.7-73.4172.6-172.9-177.70112.8S400S400-K402 WeakPolarHBondContact O-CG 3.23Å; S400-K402 PolarHBondContact O-N 2.78Å
403T83.8Confident82Confident83 Ų8386.4 Ų86.451%0.50945%0.452SS..EExtended strand (participates in β ladder)trans-95.8115.2-177.1-52.70000109.1Y396 T397Y396-T403 CarbonylContact C-O 3.52Å; Y396-T403 WeakPolarHBondContact CA-O 3.42Å; T397-T403 HydrophobicContact CG2-CG2 3.95Å; T397-T403 PolarHBondContact N-O 3.36Å; T397-T403 WeakPolarHBondContact O-CB 3.12Å; T397-T403 PolarHBondContact O-N 2.03Å
404K78.8Confident81.8Confident116 Ų11690.5 Ų90.550%0.50446%0.462SS..EExtended strand (participates in β ladder)trans-69.7137.6172.1-168175.1-177.2177.10109.5G395 Y396 D406 D423G395-K404 CarbonylContact O-C 3.51Å; G395-K404 WeakPolarHBondContact O-CA 3.47Å; Y396-K404 HydrophobicContact CE1-CB 4.25Å; K404-D406 PolarHBondContact O-N 2.98Å; K404-D423 VanDerWaalsContact CE-OD1 3.27Å; K404-D423 WeakPolarHBondContact CE-OD1 3.44Å; K404-D423 IonicContact NZ-OD1 2.61Å; K404-D423 PolarHBondContact NZ-OD1 3.36Å
405I77.1Confident81.6Confident82 Ų8285 Ų8542%0.42144%0.439SS..  trans-67.9114.5177.3-64.1174.4000108.3G395 T397 R407G395-I405 WeakPolarHBondContact O-CG1 3.49Å; G395-I405 PolarHBondContact O-N 2.91Å; T397-I405 HydrophobicContact CG2-CG1 4.32Å; I405-R407 HydrophobicContact CG2-CG 4.4Å; I405-R407 PolarHBondContact O-N 3.12Å
406D74.7Confident81.7Confident103 Ų10387.5 Ų87.555%0.55146%0.464SS*.  trans-76.3101.3171.1-178.3-1.5000109.3K404 C408 A409K404-D406 PolarHBondContact O-N 2.98Å; D406-C408 PolarHBondContact O-N 2.8Å; D406-C408 PolarHBondContact OD1-N 3.1Å; D406-A409 HydrophobicContact CB-CB 4.13Å; D406-A409 WeakPolarHBondContact O-CB 3.02Å; D406-A409 PolarHBondContact O-N 3.36Å; D406-A409 PolarHBondContact OD1-N 2.92Å
407R74.9Confident81.6Confident94 Ų9484.9 Ų84.936%0.35546%0.459SS..THydrogen-bonded Turntrans-73.3-13.2-179.5-60.1-178.5-176-139.410.4112.9I405 I411 D423 E424I405-R407 HydrophobicContact CG2-CG 4.4Å; I405-R407 PolarHBondContact O-N 3.12Å; R407-I411 WeakPolarHBondContact O-CD1 3.27Å; R407-I411 WeakPolarHBondContact O-CG1 3.37Å; R407-D423 PolarHBondContact NH2-O 2.9Å; R407-E424 PolarHBondContact NH1-O 2.02Å
408C79.5Confident81.8Confident26 Ų2684.9 Ų84.918%0.17646%0.462CS..THydrogen-bonded Turntrans-92.7-6.7175-770000112.9D406 D410 I411 C419D406-C408 PolarHBondContact O-N 2.8Å; D406-C408 PolarHBondContact OD1-N 3.1Å; C408-D410 PolarHBondContact O-N 3.4Å; C408-D410 VanDerWaalsContact O-N 3.12Å; C408-I411 PolarHBondContact O-N 3.21Å; C408-C419 HydrophobicContact CB-CB 3.97Å; C408-C419 WeakPolarHBondContact CB-SG 3.43Å; C408-C419 WeakPolarHBondContact SG-CB 3.13Å; C408-C419 CovalentContact SG-SG 2.06Å; C408-C419 PolarHBondContact SG-SG 3.36Å
409A78.4Confident81.9Confident74 Ų7484.6 Ų84.661%0.61245%0.453SS*.THydrogen-bonded Turntrans-58.1-28.7-176.100000113.9D406D406-A409 HydrophobicContact CB-CB 4.13Å; D406-A409 WeakPolarHBondContact O-CB 3.02Å; D406-A409 PolarHBondContact O-N 3.36Å; D406-A409 PolarHBondContact OD1-N 2.92Å
410D77.7Confident81.8Confident168 Ų16878.3 Ų78.390%0.89843%0.432SS*.THydrogen-bonded Turntrans-109.914.4179.3-98.6-19.3000113.4C408C408-D410 PolarHBondContact O-N 3.4Å; C408-D410 VanDerWaalsContact O-N 3.12Å
411I77.9Confident81.2Confident31 Ų3179 Ų7916%0.15944%0.437CS..  trans-115.8117.6-170.2-53.5-167.4000112.4R407 C408 Y426 Y438R407-I411 WeakPolarHBondContact O-CD1 3.27Å; R407-I411 WeakPolarHBondContact O-CG1 3.37Å; C408-I411 PolarHBondContact O-N 3.21Å; I411-Y426 HydrophobicContact CD1-CD1 3.24Å; I411-Y426 HydrophobicContact CD1-CD2 3.11Å; I411-Y426 HydrophobicContact CD1-CE1 3.46Å; I411-Y426 VanDerWaalsContact CD1-CE1 3.46Å; I411-Y426 HydrophobicContact CD1-CE2 3.34Å; I411-Y426 HydrophobicContact CD1-CG 3.04Å; I411-Y426 VanDerWaalsContact CD1-CZ 3.49Å; I411-Y426 HydrophobicContact CG1-CD2 4.45Å; I411-Y426 HydrophobicContact CG2-CD2 4.21Å; I411-Y426 HydrophobicContact CG2-CE2 4.34Å; I411-Y438 HydrophobicContact CG2-CD1 4.15Å; I411-Y438 HydrophobicContact CG2-CE1 3.98Å
412E82.9Confident80.3Confident162 Ų16283.9 Ų83.976%0.75746%0.463SS*.  trans-107.5104.1177.8-167.1177.4-162.200110.8
413C83.6Confident79.2Confident20 Ų2082.5 Ų82.514%0.13546%0.462CS..  trans-77.9124.5172-53.10000109.9G417 C419 C428C413-G417 VanDerWaalsContact CB-C 3.5Å; C413-G417 WeakPolarHBondContact CB-O 3.22Å; C413-C419 VanDerWaalsContact SG-CA 3.55Å; C413-C419 PolarHBondContact SG-N 2.99Å; C413-C419 VanDerWaalsContact SG-N 3.36Å; C413-C428 VanDerWaalsContact CA-SG 3.59Å; C413-C428 HydrophobicContact CB-CB 3.72Å; C413-C428 WeakPolarHBondContact CB-SG 3.16Å; C413-C428 VanDerWaalsContact SG-CA 3.54Å; C413-C428 WeakPolarHBondContact SG-CB 3.28Å; C413-C428 CovalentContact SG-SG 2.02Å; C413-C428 PolarHBondContact SG-SG 3.33Å
414R83.5Confident78.5Confident161 Ų16186.4 Ų86.461%0.60847%0.474SS*.SBendtrans-81.3173.4-178.8-64.1-169.3173.1-161.2-2112.1G416 G417 Y438 C439R414-G416 PolarHBondContact O-N 2.61Å; R414-G417 PolarHBondContact O-N 2.81Å; R414-Y438 WeakPolarHBondContact CB-O 3.45Å; R414-Y438 PolarHBondContact N-O 3.13Å; R414-C439 VanDerWaalsContact O-CB 3.28Å; R414-C439 WeakPolarHBondContact O-CB 3.32Å
415N79.7Confident78Confident82 Ų8283 Ų8344%0.43947%0.468SS..THydrogen-bonded Turntrans48.333.7175.8-59.1-35.4000115.5P431 T434 C439N415-P431 VanDerWaalsContact O-CG 3.29Å; N415-P431 WeakPolarHBondContact O-CG 3.36Å; N415-T434 HydrophobicContact CB-CG2 3.67Å; N415-C439 WeakPolarHBondContact CB-O 3.41Å; N415-C439 PolarHBondContact ND2-O 3.05Å
416G79.9Confident78.1Confident70 Ų7082.6 Ų82.672%0.72246%0.462SS*.THydrogen-bonded Turntrans79.618.1179.800000114.7R414R414-G416 PolarHBondContact O-N 2.61Å
417G85.2Confident78.5Confident16 Ų1680.5 Ų80.517%0.16546%0.455CS..  trans-66.7150.6172.500000112.9C413 R414 N429C413-G417 VanDerWaalsContact CB-C 3.5Å; C413-G417 WeakPolarHBondContact CB-O 3.22Å; R414-G417 PolarHBondContact O-N 2.81Å; G417-N429 WeakPolarHBondContact CA-O 3.35Å
418S87.8Confident79Confident74 Ų7476.5 Ų76.552%0.51744%0.442SS..EExtended strand (participates in β ladder)trans-113.2122177.4-174.80000110.8N429S418-N429 PolarHBondContact N-O 2.06Å; S418-N429 PolarHBondContact O-N 2.88Å
419C86.8Confident79.4Confident33 Ų3379.3 Ų79.322%0.22346%0.455CS..EExtended strand (participates in β ladder)trans-70.8133175.8-1680000110.3C408 C413C408-C419 HydrophobicContact CB-CB 3.97Å; C408-C419 WeakPolarHBondContact CB-SG 3.43Å; C408-C419 WeakPolarHBondContact SG-CB 3.13Å; C408-C419 CovalentContact SG-SG 2.06Å; C408-C419 PolarHBondContact SG-SG 3.36Å; C413-C419 VanDerWaalsContact SG-CA 3.55Å; C413-C419 PolarHBondContact SG-N 2.99Å; C413-C419 VanDerWaalsContact SG-N 3.36Å
420T82.8Confident79.7Confident67 Ų6778.1 Ų78.141%0.41144%0.441SS..EExtended strand (participates in β ladder)trans-129.4126169.349.20000108.2Y426 S427 N429T420-Y426 CarbonylContact O-C 3.4Å; T420-Y426 WeakPolarHBondContact O-CA 3.06Å; T420-S427 PolarHBondContact N-O 2.78Å; T420-S427 PolarHBondContact O-N 3.21Å; T420-S427 PolarHBondContact OG1-O 3.23Å; T420-S427 VanDerWaalsContact OG1-O 3.12Å; T420-N429 WeakPolarHBondContact CG2-ND2 3.28Å; T420-N429 PolarHBondContact OG1-ND2 2.76Å
421S74.6Confident80Confident57 Ų5772.8 Ų72.840%0.39942%0.416SS..EExtended strand (participates in β ladder)trans-109.4135.617360.30000110.9A425S421-A425 CarbonylContact C-O 3.57Å; S421-A425 VanDerWaalsContact CA-O 3.32Å; S421-A425 WeakPolarHBondContact CA-O 3.36Å
422N69.5Low80.2Confident102 Ų10281.8 Ų81.855%0.54545%0.454SS..  trans-103.5-171.7163.865.810.7000109.5E424 A425N422-E424 PolarHBondContact O-N 2.85Å; N422-E424 PolarHBondContact OD1-N 3.04Å; N422-A425 PolarHBondContact N-O 2.7Å; N422-A425 WeakPolarHBondContact OD1-CA 2.99Å; N422-A425 PolarHBondContact OD1-N 2.74Å; N422-A425 PolarHBondContact OD1-O 2.99Å
423D64.9Low79.8Confident111 Ų11176.2 Ų76.259%0.59444%0.441SS*.SBendtrans-64.4-21.3-175.8-63.7-40.7000113.7K404 R407K404-D423 VanDerWaalsContact CE-OD1 3.27Å; K404-D423 WeakPolarHBondContact CE-OD1 3.44Å; K404-D423 IonicContact NZ-OD1 2.61Å; K404-D423 PolarHBondContact NZ-OD1 3.36Å; R407-D423 PolarHBondContact NH2-O 2.9Å
424E68.2Low79.7Confident165 Ų16576.7 Ų76.777%0.77144%0.443SS*.SBendtrans-117.5-20-171.2-66.6-175.2168.700114.2R407 N422R407-E424 PolarHBondContact NH1-O 2.02Å; N422-E424 PolarHBondContact O-N 2.85Å; N422-E424 PolarHBondContact OD1-N 3.04Å
425A69.2Low79.5Confident46 Ų4674.3 Ų74.338%0.3844%0.442SS..  trans-156.6169.4-171.200000112.5S421 N422S421-A425 CarbonylContact C-O 3.57Å; S421-A425 VanDerWaalsContact CA-O 3.32Å; S421-A425 WeakPolarHBondContact CA-O 3.36Å; N422-A425 PolarHBondContact N-O 2.7Å; N422-A425 WeakPolarHBondContact OD1-CA 2.99Å; N422-A425 PolarHBondContact OD1-N 2.74Å; N422-A425 PolarHBondContact OD1-O 2.99Å
426Y79.4Confident79.5Confident72 Ų7271.2 Ų71.228%0.28243%0.429SS..EExtended strand (participates in β ladder)trans-118.2155.3166.263.6-95.5000109.1I411 T420 F437 Y438I411-Y426 HydrophobicContact CD1-CD1 3.24Å; I411-Y426 HydrophobicContact CD1-CD2 3.11Å; I411-Y426 HydrophobicContact CD1-CE1 3.46Å; I411-Y426 VanDerWaalsContact CD1-CE1 3.46Å; I411-Y426 HydrophobicContact CD1-CE2 3.34Å; I411-Y426 HydrophobicContact CD1-CG 3.04Å; I411-Y426 VanDerWaalsContact CD1-CZ 3.49Å; I411-Y426 HydrophobicContact CG1-CD2 4.45Å; I411-Y426 HydrophobicContact CG2-CD2 4.21Å; I411-Y426 HydrophobicContact CG2-CE2 4.34Å; T420-Y426 CarbonylContact O-C 3.4Å; T420-Y426 WeakPolarHBondContact O-CA 3.06Å; Y426-F437 HydrophobicContact CD2-CE1 4.41Å; Y426-F437 HydrophobicContact CE2-CD1 4.48Å; Y426-F437 AromaticContact CE2-CE1 3.44Å; Y426-F437 HydrophobicContact CE2-CE1 3.44Å; Y426-F437 VanDerWaalsContact CE2-CE1 3.44Å; Y426-F437 AromaticContact CE2-CZ 3.85Å; Y426-F437 HydrophobicContact CE2-CZ 3.85Å; Y426-F437 AromaticContact CZ-CE1 3.91Å; Y426-Y438 HydrophobicContact CE2-CE1 4.01Å; Y426-Y438 PolarHBondContact OH-OH 3.47Å; Y426-Y438 VanDerWaalsContact OH-OH 3.09Å
427S82.4Confident79.7Confident59 Ų5973.4 Ų73.441%0.41342%0.419SS..EExtended strand (participates in β ladder)trans-150.1135177.3-176.60000110.1T420T420-S427 PolarHBondContact N-O 2.78Å; T420-S427 PolarHBondContact O-N 3.21Å; T420-S427 PolarHBondContact OG1-O 3.23Å; T420-S427 VanDerWaalsContact OG1-O 3.12Å
428C85.5Confident79.6Confident11 Ų1176.9 Ų76.97%0.07443%0.428CS..EExtended strand (participates in β ladder)trans-88.2120.8172.3-71.80000110.3C413 C430 F437C413-C428 VanDerWaalsContact CA-SG 3.59Å; C413-C428 HydrophobicContact CB-CB 3.72Å; C413-C428 WeakPolarHBondContact CB-SG 3.16Å; C413-C428 VanDerWaalsContact SG-CA 3.54Å; C413-C428 WeakPolarHBondContact SG-CB 3.28Å; C413-C428 CovalentContact SG-SG 2.02Å; C413-C428 PolarHBondContact SG-SG 3.33Å; C428-C430 PolarHBondContact O-N 3.33Å; C428-F437 WeakPolarHBondContact CB-O 3.48Å
429N87.1Confident79.4Confident85 Ų8573.3 Ų73.346%0.45540%0.403SS..EExtended strand (participates in β ladder)trans-83.4113.6173.2-65.8-58000110G417 S418 T420G417-N429 WeakPolarHBondContact CA-O 3.35Å; S418-N429 PolarHBondContact N-O 2.06Å; S418-N429 PolarHBondContact O-N 2.88Å; T420-N429 WeakPolarHBondContact CG2-ND2 3.28Å; T420-N429 PolarHBondContact OG1-ND2 2.76Å
430C85.4Confident79.3Confident48 Ų4876.1 Ų76.132%0.32441%0.413SS..PPolyproline II helixtrans-91.4132-174.3-53.90000112.8C428 T434 G436 C439C428-C430 PolarHBondContact O-N 3.33Å; C430-T434 WeakPolarHBondContact CB-OG1 3.29Å; C430-G436 PolarHBondContact SG-O 3.28Å; C430-C439 WeakPolarHBondContact CA-SG 3.45Å; C430-C439 HydrophobicContact CB-CB 3.73Å; C430-C439 WeakPolarHBondContact CB-SG 3.01Å; C430-C439 WeakPolarHBondContact SG-CA 3.3Å; C430-C439 WeakPolarHBondContact SG-CB 3.01Å; C430-C439 CovalentContact SG-SG 2.03Å; C430-C439 PolarHBondContact SG-SG 3.16Å
431P83.1Confident79Confident56 Ų5677.4 Ų77.436%0.36442%0.416SS..PPolyproline II helixtrans-64.8154.417323.7-30.4000112N415 G433 T434N415-P431 VanDerWaalsContact O-CG 3.29Å; N415-P431 WeakPolarHBondContact O-CG 3.36Å; P431-G433 PolarHBondContact O-N 2.79Å; P431-T434 VanDerWaalsContact CD-OG1 3.28Å; P431-T434 WeakPolarHBondContact CD-OG1 3.23Å; P431-T434 HydrophobicContact CG-CG2 4.4Å; P431-T434 PolarHBondContact O-N 3.09Å; P431-T434 PolarHBondContact O-OG1 2.74Å
432K81.8Confident78.7Confident220 Ų22078 Ų7896%0.95742%0.42SS*.THydrogen-bonded Turntrans-52.9131.6-179.4-80.6-172.3176.1-178.40111.5
433G75.5Confident78.1Confident46 Ų4680 Ų8047%0.47443%0.431SS..THydrogen-bonded Turntrans902.8-176.700000114P431 S442 D443P431-G433 PolarHBondContact O-N 2.79Å; G433-S442 WeakPolarHBondContact O-CA 3.25Å; G433-D443 PolarHBondContact O-N 3.49Å
434T81.7Confident77.7Confident30 Ų3082.2 Ų82.218%0.18444%0.443CS..EExtended strand (participates in β ladder)trans-120.9147.1169.764.80000111N415 C430 P431 I441N415-T434 HydrophobicContact CB-CG2 3.67Å; C430-T434 WeakPolarHBondContact CB-OG1 3.29Å; P431-T434 VanDerWaalsContact CD-OG1 3.28Å; P431-T434 WeakPolarHBondContact CD-OG1 3.23Å; P431-T434 HydrophobicContact CG-CG2 4.4Å; P431-T434 PolarHBondContact O-N 3.09Å; P431-T434 PolarHBondContact O-OG1 2.74Å; T434-I441 CarbonylContact C-O 3.49Å; T434-I441 WeakPolarHBondContact CA-O 3.43Å; T434-I441 VanDerWaalsContact CB-O 3.3Å; T434-I441 WeakPolarHBondContact CB-O 3.28Å
435D79.1Confident76.7Confident110 Ų11078 Ų7859%0.58844%0.444SS*.EExtended strand (participates in β ladder)trans-143.5173.6-179.1-162.14.1000109.9C439 E440 I441D435-C439 CarbonylContact O-C 3.21Å; D435-C439 WeakPolarHBondContact O-CA 3.06Å; D435-E440 PolarHBondContact O-N 3.25Å; D435-E440 VanDerWaalsContact O-N 3.15Å; D435-I441 HydrophobicContact CB-CB 4.19Å; D435-I441 HydrophobicContact CB-CD1 4.48Å; D435-I441 PolarHBondContact N-O 3.12Å; D435-I441 WeakPolarHBondContact O-CA 3.36Å; D435-I441 VanDerWaalsContact O-CB 3.25Å; D435-I441 WeakPolarHBondContact O-CB 3.43Å; D435-I441 WeakPolarHBondContact O-CG1 3.47Å; D435-I441 PolarHBondContact O-N 3.3Å
436G80Confident75.2Confident17 Ų1783.5 Ų83.518%0.17547%0.465CS..SBendtrans103.7160-175.900000113.1C430 Y438 C439 E440C430-G436 PolarHBondContact SG-O 3.28Å; G436-Y438 PolarHBondContact O-N 3.27Å; G436-C439 PolarHBondContact O-N 3.17Å; G436-E440 WeakPolarHBondContact CA-OE1 3.34Å
437F83.2Confident73.1Confident116 Ų11685.8 Ų85.851%0.50949%0.487SS..THydrogen-bonded Turntrans-67.7-25.4-172.7-171.4-101.2000112.8Y426 C428 E440Y426-F437 HydrophobicContact CD2-CE1 4.41Å; Y426-F437 HydrophobicContact CE2-CD1 4.48Å; Y426-F437 AromaticContact CE2-CE1 3.44Å; Y426-F437 HydrophobicContact CE2-CE1 3.44Å; Y426-F437 VanDerWaalsContact CE2-CE1 3.44Å; Y426-F437 AromaticContact CE2-CZ 3.85Å; Y426-F437 HydrophobicContact CE2-CZ 3.85Å; Y426-F437 AromaticContact CZ-CE1 3.91Å; C428-F437 WeakPolarHBondContact CB-O 3.48Å; F437-E440 PolarHBondContact N-OE1 3.42Å; F437-E440 PolarHBondContact N-OE2 3.49Å
438Y83.9Confident71Confident89 Ų8988.7 Ų88.735%0.34950%0.501SS..THydrogen-bonded Turntrans-116.923.3171.9-55.8-79.4000111.3I411 R414 Y426 G436 E440I411-Y438 HydrophobicContact CG2-CD1 4.15Å; I411-Y438 HydrophobicContact CG2-CE1 3.98Å; R414-Y438 WeakPolarHBondContact CB-O 3.45Å; R414-Y438 PolarHBondContact N-O 3.13Å; Y426-Y438 HydrophobicContact CE2-CE1 4.01Å; Y426-Y438 PolarHBondContact OH-OH 3.47Å; Y426-Y438 VanDerWaalsContact OH-OH 3.09Å; G436-Y438 PolarHBondContact O-N 3.27Å; Y438-E440 VanDerWaalsContact C-N 3.26Å; Y438-E440 VanDerWaalsContact CA-OE2 3.28Å; Y438-E440 WeakPolarHBondContact CA-OE2 3.22Å; Y438-E440 PolarHBondContact N-OE2 3.32Å; Y438-E440 PolarHBondContact O-N 2.92Å
439C83Confident68.7Low0 Ų095.3 Ų95.30%053%0.531CS..SBendtrans58.332.5-177.2-45.20000114.2R414 N415 C430 D435 G436 I441R414-C439 VanDerWaalsContact O-CB 3.28Å; R414-C439 WeakPolarHBondContact O-CB 3.32Å; N415-C439 WeakPolarHBondContact CB-O 3.41Å; N415-C439 PolarHBondContact ND2-O 3.05Å; C430-C439 WeakPolarHBondContact CA-SG 3.45Å; C430-C439 HydrophobicContact CB-CB 3.73Å; C430-C439 WeakPolarHBondContact CB-SG 3.01Å; C430-C439 WeakPolarHBondContact SG-CA 3.3Å; C430-C439 WeakPolarHBondContact SG-CB 3.01Å; C430-C439 CovalentContact SG-SG 2.03Å; C430-C439 PolarHBondContact SG-SG 3.16Å; D435-C439 CarbonylContact O-C 3.21Å; D435-C439 WeakPolarHBondContact O-CA 3.06Å; G436-C439 PolarHBondContact O-N 3.17Å; C439-I441 PolarHBondContact O-N 3.07Å
440E84.7Confident66.3Low92 Ų9298.7 Ų98.743%0.4355%0.548SS..  trans-75.6-15-173.664.9-82.3-172.700115.4D435 G436 F437 Y438D435-E440 PolarHBondContact O-N 3.25Å; D435-E440 VanDerWaalsContact O-N 3.15Å; G436-E440 WeakPolarHBondContact CA-OE1 3.34Å; F437-E440 PolarHBondContact N-OE1 3.42Å; F437-E440 PolarHBondContact N-OE2 3.49Å; Y438-E440 VanDerWaalsContact C-N 3.26Å; Y438-E440 VanDerWaalsContact CA-OE2 3.28Å; Y438-E440 WeakPolarHBondContact CA-OE2 3.22Å; Y438-E440 PolarHBondContact N-OE2 3.32Å; Y438-E440 PolarHBondContact O-N 2.92Å
441I77.4Confident64.4Low93 Ų93103 Ų10348%0.47756%0.563SS.*EExtended strand (participates in β ladder)trans-99.4138.2-176.6-49176.3000109.4T434 D435 C439T434-I441 CarbonylContact C-O 3.49Å; T434-I441 WeakPolarHBondContact CA-O 3.43Å; T434-I441 VanDerWaalsContact CB-O 3.3Å; T434-I441 WeakPolarHBondContact CB-O 3.28Å; D435-I441 HydrophobicContact CB-CB 4.19Å; D435-I441 HydrophobicContact CB-CD1 4.48Å; D435-I441 PolarHBondContact N-O 3.12Å; D435-I441 WeakPolarHBondContact O-CA 3.36Å; D435-I441 VanDerWaalsContact O-CB 3.25Å; D435-I441 WeakPolarHBondContact O-CB 3.43Å; D435-I441 WeakPolarHBondContact O-CG1 3.47Å; D435-I441 PolarHBondContact O-N 3.3Å; C439-I441 PolarHBondContact O-N 3.07Å
442S67.9Low62.6Low69 Ų69109 Ų10948%0.48358%0.578SS.*EExtended strand (participates in β ladder)trans-132.2133.2175.6650000111.5G433 N444G433-S442 WeakPolarHBondContact O-CA 3.25Å; S442-N444 PolarHBondContact O-N 2.77Å
443D57.3Low61.1Low144 Ų144106.1 Ų106.177%0.7757%0.566SS**SBendtrans-77.437.5-165.4-142.48.3000116.2G433G433-D443 PolarHBondContact O-N 3.49Å
444N56.5Low60Low159 Ų159109.7 Ų109.785%0.8557%0.573SS**  trans-113.578.9174.1-73.8-26.5000110.4S442S442-N444 PolarHBondContact O-N 2.77Å
445G46.4Very low58.7Low76 Ų76114.1 Ų114.178%0.78460%0.595SS**  trans161.386.2173.300000115.6
446I38.6Very low57.5Low162 Ų162113.5 Ų113.583%0.83159%0.591SS**  trans-62.8129.1169.6-72.6172.7000111
447V34.4Very low56.3Low120 Ų120120.6 Ų120.673%0.72762%0.618SS**  trans63.1110.3152-179.30000117.2
448V38.5Very low55Low120 Ų120117.6 Ų117.673%0.72761%0.614SS**  -173.9147.7104.9-150.40000110.8
449Q36.6Very low53.9Low150 Ų150116.3 Ų116.370%0.70162%0.618SS**  trans8971.1155.3-56-65.7-36.300119.2
450I36.8Very low52.7Low155 Ų155122.1 Ų122.180%0.79565%0.648SS**  trans-54.4141.7132.6-63.2164.6000107.5
451E45.3Very low51.4Low140 Ų140124.8 Ų124.865%0.65466%0.659SS**  trans118.540.1172.8-58-137.5156.200119.6
452W45.3Very low50.6Low180 Ų180125.6 Ų125.668%0.68266%0.664SS**SBendtrans-124.5-22.7158.865.5-58.8000114.2I454 L455W452-I454 PolarHBondContact O-N 2.7Å; W452-L455 PolarHBondContact O-N 2.03Å
453K50.5Low50.2Low161 Ų161124.7 Ų124.770%0.766%0.66SS**Hα-helixtrans-68.8-14.2174.1-71.3-173.2174.4-176.50114F457K453-F457 WeakPolarHBondContact O-CD2 3.46Å
454I53.9Low50Low120 Ų120126.5 Ų126.562%0.61566%0.656SS**Hα-helixtrans-87.7-23.6174.7-62.4174.8000111.7W452 A458W452-I454 PolarHBondContact O-N 2.7Å; I454-A458 PolarHBondContact O-N 2.95Å
455L53.7Low49.9Very low123 Ų123125 Ų12564%0.64464%0.644SS**Hα-helixtrans-82.4-21.9178.8-72.4163.6000113.6W452 S459W452-L455 PolarHBondContact O-N 2.03Å; L455-S459 PolarHBondContact O-N 3.05Å; L455-S459 PolarHBondContact O-OG 3.15Å
456L54.2Low50.4Low98 Ų98128.9 Ų128.951%0.51364%0.642SS.*Hα-helixtrans-77.9-31.3173.6-79.1165.9000113.1S459 L460L456-S459 WeakPolarHBondContact CA-OG 3.48Å; L456-S459 PolarHBondContact O-OG 3.32Å; L456-S459 VanDerWaalsContact O-OG 3.13Å; L456-L460 PolarHBondContact O-N 2.86Å
457F53.5Low51Low166 Ų166128.2 Ų128.273%0.72864%0.639SS**Hα-helixtrans-74.7-29.2174-85-87.7000112.6K453 F461K453-F457 WeakPolarHBondContact O-CD2 3.46Å; F457-F461 WeakPolarHBondContact O-CB 3.36Å; F457-F461 PolarHBondContact O-N 3.49Å
458A57.2Low51.9Low52 Ų52127.6 Ų127.643%0.4364%0.635SS.*Hα-helixtrans-73.1-30.5175.200000113.5I454 L462I454-A458 PolarHBondContact O-N 2.95Å; A458-L462 WeakPolarHBondContact O-CG 3.42Å; A458-L462 PolarHBondContact O-N 3.47Å
459S60.7Low52.6Low62 Ų62126.6 Ų126.643%0.43463%0.633SS.*Hα-helixtrans-79.6-34.1178.539.40000113L455 L456 A463L455-S459 PolarHBondContact O-N 3.05Å; L455-S459 PolarHBondContact O-OG 3.15Å; L456-S459 WeakPolarHBondContact CA-OG 3.48Å; L456-S459 PolarHBondContact O-OG 3.32Å; L456-S459 VanDerWaalsContact O-OG 3.13Å; S459-A463 PolarHBondContact O-N 2.8Å; S459-A463 VanDerWaalsContact O-N 3.16Å
460L57.9Low53Low122 Ų122128.1 Ų128.164%0.63964%0.641SS**Hα-helixtrans-71.2-31.6172.7-87.8153.2000113.1L456 A463 W464L456-L460 PolarHBondContact O-N 2.86Å; L460-A463 PolarHBondContact O-N 3.42Å; L460-W464 PolarHBondContact O-N 3.22Å
461F57.7Low53.2Low149 Ų149123.6 Ų123.665%0.65463%0.632SS**Hα-helixtrans-73.1-33.2176.8-140.6-97.6000112.6F457 Q465F457-F461 WeakPolarHBondContact O-CB 3.36Å; F457-F461 PolarHBondContact O-N 3.49Å; F461-Q465 PolarHBondContact O-N 3.26Å
462L60.1Low52.7Low110 Ų110126.6 Ų126.658%0.57665%0.646SS**Hα-helixtrans-72.8-33.2172.6-72.6168.5000112.5A458 W464 Q465 Q466A458-L462 WeakPolarHBondContact O-CG 3.42Å; A458-L462 PolarHBondContact O-N 3.47Å; L462-W464 VanDerWaalsContact C-N 3.34Å; L462-Q465 PolarHBondContact O-N 3.26Å; L462-Q466 PolarHBondContact O-N 3.5Å
463A58.5Low52.3Low49 Ų49121.7 Ų121.741%0.40565%0.651SS.*Hα-helixtrans-67.6-31.9173.800000112.9S459 L460 L467S459-A463 PolarHBondContact O-N 2.8Å; S459-A463 VanDerWaalsContact O-N 3.16Å; L460-A463 PolarHBondContact O-N 3.42Å; A463-L467 PolarHBondContact O-N 3.38Å
464W53.5Low51.4Low183 Ų183126 Ų12669%0.69366%0.663SS**Hα-helixtrans-75.6-31.2176.1-152.269.8000112.7L460 L462 V468L460-W464 PolarHBondContact O-N 3.22Å; L462-W464 VanDerWaalsContact C-N 3.34Å; W464-V468 WeakPolarHBondContact O-CG2 3.45Å
465Q55.1Low50.6Low128 Ų128128.1 Ų128.160%0.59867%0.67SS**Hα-helixtrans-72.7-28.1173.1-76.9-157.7-63.100113.9F461 L462F461-Q465 PolarHBondContact O-N 3.26Å; L462-Q465 PolarHBondContact O-N 3.26Å
466Q56.7Low49.8Very low157 Ų157129.4 Ų129.473%0.73468%0.678SS**Hα-helixtrans-76.3-27.6176.4-76.4-172.3-59.100113.7L462L462-Q466 PolarHBondContact O-N 3.5Å
467L50.3Low49Very low148 Ų148133.3 Ų133.378%0.77569%0.693SS**Hα-helixtrans-80.7-17.9177.1-85.7158.1000113.8A463A463-L467 PolarHBondContact O-N 3.38Å
468V54.4Low48.4Very low106 Ų106130.8 Ų130.864%0.64269%0.694SS**SBendtrans-93.1-9.1-179.8177.70000112.6W464W464-V468 WeakPolarHBondContact O-CG2 3.45Å
469S53.3Low47.7Very low99 Ų99133.9 Ų133.969%0.69271%0.707SS**SBendtrans-104.55.2-172.4-167.20000116.5
470Q45Very low46.2Very low182 Ų182139.5 Ų139.585%0.8573%0.731SS**SBendtrans-123.685.4165.2-68-162.3-6.500107.4
471G40.3Very low45.3Very low60 Ų60139.3 Ų139.362%0.61974%0.735SS**  92.676.874.600000107.3
472Q35.6Very low43.9Very low204 Ų204137.5 Ų137.595%0.95374%0.741SS**  54.3110101.2-79.6178.3-32.100113
473G35.8Very low42.8Very low76 Ų76137.5 Ų137.578%0.78475%0.745SS**  trans170.874.9166.300000117.3
474R32.8Very low41.6Very low251 Ų251147 Ų14795%0.94777%0.77SS**  trans95.5123.3132.9-145.6169-165.7167.53.1119.8
475Q36Very low40.6Very low165 Ų165145.5 Ų145.577%0.77178%0.775SS**  trans-66.6145.8170.9-63160.7-40.500112.3
476D37.9Very low39.6Very low151 Ų151145.8 Ų145.881%0.80778%0.781SS**  171.8141.2107.9-87.2-34.6000111.8
477H36.4Very low38.4Very low179 Ų179144.4 Ų144.483%0.82979%0.785SS**  trans-52.1169.4174.7-75.7-79.1000113.7
478P40.8Very low37.7Very low114 Ų114145.4 Ų145.474%0.7479%0.786SS**  cis-152.5-161.634.835.7-8.9000116.5
479V42.2Very low36.9Very low117 Ų117147.8 Ų147.871%0.70979%0.794SS**  trans104.397.8156.9-163.20000116.3V481V479-V481 HydrophobicContact CG1-CG2 3.97Å; V479-V481 PolarHBondContact O-N 3.03Å
480L30.2Very low36Very low180 Ų180150.2 Ų150.294%0.94280%0.798SS**  trans-65.9111.6157.9-98.595.5000109.3
481V38Very low35.5Very low117 Ų117149.3 Ų149.371%0.70980%0.798SS**  trans-123116.2154.4173.90000107.4V479 V483V479-V481 HydrophobicContact CG1-CG2 3.97Å; V479-V481 PolarHBondContact O-N 3.03Å; V481-V483 HydrophobicContact CG1-CG2 4.23Å; V481-V483 PolarHBondContact O-N 3.33Å
482S29.4Very low35.2Very low112 Ų112151.5 Ų151.578%0.78380%0.803SS**  trans-72.4110.3174.1155.40000109.7
483V36.9Very low35.1Very low109 Ų109150.1 Ų150.166%0.66180%0.797SS**  trans-131.595.8158.1-177.50000106.8V481 L485V481-V483 HydrophobicContact CG1-CG2 4.23Å; V481-V483 PolarHBondContact O-N 3.33Å; V483-L485 HydrophobicContact CG1-CD1 3.93Å; V483-L485 HydrophobicContact CG1-CG 4.22Å; V483-L485 PolarHBondContact O-N 2.98Å
484R32.2Very low35Very low249 Ų249154.8 Ų154.894%0.9480%0.803SS**  trans-79.392.5171.5-84.8-170.9-179.5-174.31.5108.8
485L33.7Very low35.1Very low151 Ų151154.6 Ų154.679%0.79180%0.802SS**  trans-96.7111160.5-86.5155.7000108.8V483V483-L485 HydrophobicContact CG1-CD1 3.93Å; V483-L485 HydrophobicContact CG1-CG 4.22Å; V483-L485 PolarHBondContact O-N 2.98Å
486N33.6Very low35.6Very low134 Ų134152.3 Ų152.372%0.71780%0.799SS**  trans48.797.1139.2-147.26000119.1
487P32.4Very low36Very low128 Ų128150.6 Ų150.683%0.83180%0.796SS**  trans-98.791.8164.234.9-22.1000109.5
488Q34.6Very low36.2Very low170 Ų170151.5 Ų151.579%0.79480%0.798SS**  trans-124.6109.3149.8-77.3-149.3-0.700106.7
489I37.7Very low36.5Very low156 Ų156151.8 Ų151.880%0.880%0.8SS**SBendtrans174109140.5-85151.5000106.9
490L34.3Very low36.5Very low150 Ų150153.3 Ų153.379%0.78584%0.839SS**  trans45.3106147.1-84.484.5000118.7
491I35.7Very low36.8Very low163 Ų163152 Ų15284%0.83683%0.834SS**  175.6105.7103.8-81.7150.6000106
492S32.7Very low36.7Very low106 Ų106153.8 Ų153.874%0.74184%0.841SS**  trans-121.4102.4171.6-42.90000105.8
493Q34.9Very low37.1Very low174 Ų174156.2 Ų156.281%0.81384%0.844SS**  trans-167.1100.8153.8-77.7-43.5-34.800107.2
494L32.3Very low37.2Very low174 Ų174158.9 Ų158.991%0.91186%0.855SS**  trans-175.172.3155-100155.6000106
495R35.8Very low37.5Very low248 Ų248153.3 Ų153.394%0.93685%0.85SS**  trans-104.2112.7158.4-119.6-176.1-166.3176.14107.4
496V45.1Very low37.7Very low117 Ų117153.5 Ų153.571%0.70985%0.853SS**PPolyproline II helixtrans-55136.2172.7-168.30000110.4
497P47.3Very low38Very low114 Ų114154.9 Ų154.974%0.7486%0.863SS**PPolyproline II helixtrans-84.8126.6164.332.2-26.2000109.2
498F40.3Very low38.4Very low199 Ų199156.9 Ų156.987%0.87387%0.866SS**PPolyproline II helixtrans-78.5130.8158.9-102.6-90.4000108.5
499P47.2Very low38.8Very low120 Ų120155.8 Ų155.878%0.77987%0.872SS**PPolyproline II helixtrans-98.2135.1156.833.6-23.4000109.8
500G42Very low38.9Very low149 Ų149155.8 Ų155.8100%1.53688%0.878SS**  trans107.80172.600000114.7

Retrieved 500 of 500 residues in 321.9 ms (Link to these results)