A0A3Q0KQK9_SCHMA Loading...

Shippo-1-related

AlphaFold DB , UniProt , Accession A0A3Q0KQK9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 250 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
1M72.7Confident81.6Confident245 Ų245149.2 Ų149.2100%1.20775%0.752SS**  0113.10-88.7172.2164.200107.9
2V78.2Confident81.2Confident148 Ų148144.9 Ų144.990%0.89773%0.731SS**  trans-84.8118.4173.9-179.90000106.9S4V2-S4 PolarHBondContact O-N 3.06Å
3Y83.3Confident80.5Confident175 Ų175140.2 Ų140.269%0.68673%0.728SS**  trans-67.8118.1179.5-171.4-93.4000109.3Y5Y3-Y5 HydrophobicContact CD1-CD1 4.37Å; Y3-Y5 PolarHBondContact O-N 2.99Å
4S84Confident79.9Confident102 Ų102136.9 Ų136.971%0.71373%0.731SS**  trans-77.8105.7174.945.40000109.4V2 T6V2-S4 PolarHBondContact O-N 3.06Å; S4-T6 PolarHBondContact O-N 2.99Å
5Y83.4Confident79.6Confident197 Ų197136.2 Ų136.277%0.77372%0.724SS**PPolyproline II helixtrans-56.8137.4173.7-65.1-78.3000111Y3 K7Y3-Y5 HydrophobicContact CD1-CD1 4.37Å; Y3-Y5 PolarHBondContact O-N 2.99Å; Y5-K7 PolarHBondContact O-N 3.15Å
6T82.5Confident79.4Confident131 Ų131136.9 Ų136.980%0.80472%0.715SS**PPolyproline II helixtrans-66.6116.2173.345.60000109.1S4S4-T6 PolarHBondContact O-N 2.99Å
7K80.8Confident78.8Confident191 Ų191135.6 Ų135.683%0.8372%0.72SS**PPolyproline II helixtrans-74.6135.6169.1-66.4-176.8-178.7-179.30108.3Y5Y5-K7 PolarHBondContact O-N 3.15Å
8P79.4Confident78.2Confident65 Ų65132.9 Ų132.942%0.42271%0.714SS.*PPolyproline II helixtrans-62.9141.9177.728.1-34.9000110.4G10 I12 M15P8-G10 PolarHBondContact O-N 2.87Å; P8-I12 HydrophobicContact CB-CD1 3.54Å; P8-I12 HydrophobicContact CB-CG1 3.9Å; P8-I12 HydrophobicContact CG-CD1 4.1Å; P8-M15 HydrophobicContact CG-CE 4.36Å
9R86.5Confident77.7Confident265 Ų265132.5 Ų132.5100%172%0.719SS**SBendtrans-69.2-15-178.1-69-173.3173.697.5-0.6113.7
10G85.2Confident77.2Confident38 Ų38128.1 Ų128.139%0.39271%0.706SS.*SBendtrans-162.9174.7-179.500000109.8P8 I12P8-G10 PolarHBondContact O-N 2.87Å; G10-I12 PolarHBondContact O-N 3Å
11P82.1Confident76.9Confident84 Ų84127.1 Ų127.155%0.54571%0.706SS.*  trans-64.3125.1-179.828.1-34000110.1M15 Y16P11-M15 HydrophobicContact CB-SD 4.35Å; P11-Y16 HydrophobicContact CB-CE2 3.63Å; P11-Y16 WeakPolarHBondContact CB-OH 3.42Å; P11-Y16 HydrophobicContact CG-CE2 4.05Å; P11-Y16 WeakPolarHBondContact CG-OH 3.31Å
12I76.6Confident76.8Confident98 Ų98120.7 Ų120.750%0.50368%0.684SS.*  trans-84.4147.4174-59.3166.7000107.5P8 G10 A14 M15P8-I12 HydrophobicContact CB-CD1 3.54Å; P8-I12 HydrophobicContact CB-CG1 3.9Å; P8-I12 HydrophobicContact CG-CD1 4.1Å; G10-I12 PolarHBondContact O-N 3Å; I12-A14 PolarHBondContact O-N 3.01Å; I12-M15 VanDerWaalsContact O-CB 3.3Å; I12-M15 WeakPolarHBondContact O-CB 3.5Å; I12-M15 PolarHBondContact O-N 3.31Å
13A72.2Confident76.8Confident83 Ų83122 Ų12269%0.68667%0.674SS**G310 helixtrans-47.2-33.3178.800000113.9M15 Y16A13-M15 VanDerWaalsContact C-N 3.29Å; A13-M15 PolarHBondContact O-N 2.93Å; A13-Y16 PolarHBondContact O-N 2.99Å
14A71.4Confident76.5Confident94 Ų94118.5 Ų118.578%0.77768%0.681SS**G310 helixtrans-68.4-20.2176.600000115I12 Y16I12-A14 PolarHBondContact O-N 3.01Å; A14-Y16 VanDerWaalsContact C-N 3.33Å
15M75.6Confident76.4Confident127 Ų127120.2 Ų120.263%0.62668%0.682SS**G310 helixtrans-75.5-26.5173.4-65.4178.1129.600111.9P8 P11 I12 A13 S17P8-M15 HydrophobicContact CG-CE 4.36Å; P11-M15 HydrophobicContact CB-SD 4.35Å; I12-M15 VanDerWaalsContact O-CB 3.3Å; I12-M15 WeakPolarHBondContact O-CB 3.5Å; I12-M15 PolarHBondContact O-N 3.31Å; A13-M15 VanDerWaalsContact C-N 3.29Å; A13-M15 PolarHBondContact O-N 2.93Å; M15-S17 PolarHBondContact O-N 3.35Å
16Y76.1Confident76.4Confident147 Ų147113.7 Ų113.758%0.57666%0.664SS**SBendtrans-79.7107.5165.7-58.8-78.6000105.8P11 A13 A14 S18P11-Y16 HydrophobicContact CB-CE2 3.63Å; P11-Y16 WeakPolarHBondContact CB-OH 3.42Å; P11-Y16 HydrophobicContact CG-CE2 4.05Å; P11-Y16 WeakPolarHBondContact CG-OH 3.31Å; A13-Y16 PolarHBondContact O-N 2.99Å; A14-Y16 VanDerWaalsContact C-N 3.33Å; Y16-S18 PolarHBondContact O-N 3.28Å
17S69.3Low76.4Confident115 Ų115110.5 Ų110.580%0.80465%0.647SS**  trans-62.281.8155.843.60000106.5M15M15-S17 PolarHBondContact O-N 3.35Å
18S68.5Low76.4Confident88 Ų88104 Ų10462%0.61562%0.621SS**  trans-52.7139.2152.658.90000105.1Y16 G20Y16-S18 PolarHBondContact O-N 3.28Å; S18-G20 PolarHBondContact O-N 2.85Å
19P69.2Low76.7Confident125 Ų125105 Ų10581%0.81263%0.625SS**  trans-55.1102.9169.322.5-30000105.1
20G66.9Low76.4Confident44 Ų4492.4 Ų92.445%0.45458%0.578SS.*  trans-50.7153.8167.300000106.6S18 C22S18-G20 PolarHBondContact O-N 2.85Å; G20-C22 PolarHBondContact O-N 3.21Å
21P70.2Confident76.1Confident107 Ų10797.4 Ų97.470%0.69559%0.589SS**  trans-42.7116.5-174.818.2-31.8000109.7Y23P21-Y23 PolarHBondContact O-N 3.39Å
22C71.2Confident76Confident111 Ų11197.2 Ų97.275%0.7559%0.588SS**SBendtrans-65.5-3.7-173.1-177.50000111.9G20G20-C22 PolarHBondContact O-N 3.21Å
23Y78Confident76Confident174 Ų17499.1 Ų99.168%0.68260%0.599SS**SBendtrans-123.7120.9-175.5-10.2-76.3000107.8P21 L25P21-Y23 PolarHBondContact O-N 3.39Å; Y23-L25 PolarHBondContact O-N 3.25Å
24A78.1Confident76.4Confident103 Ų10398.2 Ų98.285%0.85158%0.581SS**PPolyproline II helixtrans-62.5120.6169.200000108.6
25L80.7Confident77Confident137 Ų13795.7 Ų95.772%0.71755%0.554SS**PPolyproline II helixtrans-71.7140.5175.3-67.8177.3000109.7Y23Y23-L25 PolarHBondContact O-N 3.25Å
26P84.2Confident77.2Confident61 Ų6194.8 Ų94.840%0.39656%0.558SS.*PPolyproline II helixtrans-60.8152.4174-16.528.7000111.3N33 D35P26-N33 WeakPolarHBondContact CB-O 3.3Å; P26-D35 HydrophobicContact CB-CB 3.93Å; P26-D35 HydrophobicContact CG-CB 3.8Å
27S82Confident77.4Confident64 Ų6498.3 Ų98.345%0.44857%0.57SS.*BIsolated β-bridgetrans-71.4156.8-179.567.10000111.1H34S27-H34 VanDerWaalsContact O-CA 3.25Å; S27-H34 WeakPolarHBondContact O-CA 3.42Å
28L81.2Confident78Confident54 Ų5494.5 Ų94.528%0.28354%0.544SS..SBendtrans-98.111.9178.7-131.282.5000113.7H40 L41 G43L28-H40 HydrophobicContact CD2-CB 3.29Å; L28-L41 WeakPolarHBondContact CD2-O 3.49Å; L28-G43 PolarHBondContact O-N 2.88Å
29V84.6Confident78.7Confident86 Ų8698.2 Ų98.252%0.52156%0.557SS.*BIsolated β-bridgetrans-115.3120.6-171.6-176.80000109.3
30G82.1Confident79.4Confident1 Ų199.1 Ų99.11%0.0155%0.549CS..SBendtrans83.7-171175.900000115.9R42 G43G30-R42 WeakPolarHBondContact O-CD 3.06Å; G30-G43 PolarHBondContact N-O 3.05Å
31F78.7Confident80.1Confident142 Ų142105 Ų10562%0.62357%0.57SS**SBendtrans-93-49.7-176.5-82.1-84.1000114.6N33 H34 R42F31-N33 PolarHBondContact O-N 2.99Å; F31-H34 PolarHBondContact O-ND1 3.39Å; F31-R42 VanDerWaalsContact CE1-NH1 3.29Å; F31-R42 VanDerWaalsContact CZ-NH1 3.31Å
32P79.2Confident80.7Confident80 Ų80106 Ų10652%0.51956%0.56SS.*THydrogen-bonded Turntrans-69.6133.2-178.827.4-31.9000109.9H34P32-H34 VanDerWaalsContact C-N 3.34Å; P32-H34 PolarHBondContact O-N 3.25Å
33N76.2Confident81.3Confident139 Ų139102.2 Ų102.274%0.74354%0.539SS*.THydrogen-bonded Turntrans6230.1173.2-49.3-32.3000115.6P26 F31P26-N33 WeakPolarHBondContact CB-O 3.3Å; F31-N33 PolarHBondContact O-N 2.99Å
34H81.9Confident81.5Confident64 Ų6496.7 Ų96.730%0.29653%0.53SS..BIsolated β-bridgetrans-84152.2169.277.9-77.9000111.7S27 F31 P32 P36S27-H34 VanDerWaalsContact O-CA 3.25Å; S27-H34 WeakPolarHBondContact O-CA 3.42Å; F31-H34 PolarHBondContact O-ND1 3.39Å; P32-H34 VanDerWaalsContact C-N 3.34Å; P32-H34 PolarHBondContact O-N 3.25Å; H34-P36 WeakPolarHBondContact O-CD 3.33Å
35D82.8Confident81.6Confident41 Ų4197 Ų9722%0.21951%0.513CS..  trans-85.3106.4175.1-171.8-0.5000110.4P26 R37 S38P26-D35 HydrophobicContact CB-CB 3.93Å; P26-D35 HydrophobicContact CG-CB 3.8Å; D35-R37 PolarHBondContact O-N 2.97Å; D35-R37 VanDerWaalsContact OD1-CB 3.32Å; D35-R37 WeakPolarHBondContact OD1-CB 3.5Å; D35-R37 PolarHBondContact OD1-N 3.41Å; D35-S38 PolarHBondContact O-N 3.22Å
36P79.4Confident81.4Confident107 Ų107100.4 Ų100.470%0.69552%0.517SS*.THydrogen-bonded Turntrans-70.6-11178.531.1-36.2000113H34H34-P36 WeakPolarHBondContact O-CD 3.33Å
37R80.9Confident80.9Confident221 Ų221101.8 Ų101.883%0.83453%0.528SS*.THydrogen-bonded Turntrans-87.3-10.8179.5-57.4176.3-178.3155.10.6112.9D35D35-R37 PolarHBondContact O-N 2.97Å; D35-R37 VanDerWaalsContact OD1-CB 3.32Å; D35-R37 WeakPolarHBondContact OD1-CB 3.5Å; D35-R37 PolarHBondContact OD1-N 3.41Å
38S82.4Confident80.6Confident36 Ų36108.7 Ų108.725%0.25255%0.55SS.*  trans-70.8136.4-179.1-1760000111.3D35 H40D35-S38 PolarHBondContact O-N 3.22Å; S38-H40 PolarHBondContact O-N 3.22Å; S38-H40 PolarHBondContact OG-N 2.91Å
39N83.2Confident80Confident166 Ų166108.8 Ų108.889%0.88857%0.565SS**SBendtrans-76.4-9.9172.6-68.8-35.3000112.9
40H83.3Confident79.2Confident143 Ų143110.9 Ų110.966%0.66257%0.572SS**SBendtrans-79.3139.9-179.4-64.6-70.1000110.7L28 S38 R42L28-H40 HydrophobicContact CD2-CB 3.29Å; S38-H40 PolarHBondContact O-N 3.22Å; S38-H40 PolarHBondContact OG-N 2.91Å; H40-R42 PolarHBondContact O-N 3.05Å
41L81.9Confident78.5Confident168 Ų168122.5 Ų122.588%0.8862%0.615SS**PPolyproline II helixtrans-64.9128.4177.4-71167.2000110.6L28 G43L28-L41 WeakPolarHBondContact CD2-O 3.49Å; L41-G43 PolarHBondContact O-N 3.38Å
42R83.8Confident78.1Confident129 Ų129122.7 Ų122.749%0.48762%0.618SS.*PPolyproline II helixtrans-62.5131.3177.4-176.7-163.463.4-161.6-4.5111.3G30 F31 H40G30-R42 WeakPolarHBondContact O-CD 3.06Å; F31-R42 VanDerWaalsContact CE1-NH1 3.29Å; F31-R42 VanDerWaalsContact CZ-NH1 3.31Å; H40-R42 PolarHBondContact O-N 3.05Å
43G82.8Confident77.6Confident31 Ų31127 Ų12732%0.3263%0.631SS.*BIsolated β-bridgetrans-73.4151.3173.600000113.2L28 G30 L41L28-G43 PolarHBondContact O-N 2.88Å; G30-G43 PolarHBondContact N-O 3.05Å; L41-G43 PolarHBondContact O-N 3.38Å
44A81.8Confident77Confident58 Ų58129.4 Ų129.448%0.47964%0.635SS.*PPolyproline II helixtrans-66.1142.3173.400000111W46A44-W46 HydrophobicContact CB-CD2 4.42Å; A44-W46 HydrophobicContact CB-CE3 4.36Å; A44-W46 HydrophobicContact CB-CH2 3.71Å; A44-W46 HydrophobicContact CB-CZ2 3.75Å; A44-W46 HydrophobicContact CB-CZ3 4.02Å
45Q80.3Confident76.1Confident109 Ų109135 Ų13551%0.50966%0.659SS.*  trans-109.6111.4170.5176.1174.824.900108.7
46W77.8Confident74.9Confident208 Ų208139.9 Ų139.979%0.78869%0.685SS**  trans-89.1119.4169.4-63.2-83.8000108.6A44A44-W46 HydrophobicContact CB-CD2 4.42Å; A44-W46 HydrophobicContact CB-CE3 4.36Å; A44-W46 HydrophobicContact CB-CH2 3.71Å; A44-W46 HydrophobicContact CB-CZ2 3.75Å; A44-W46 HydrophobicContact CB-CZ3 4.02Å
47S72.1Confident73.9Confident91 Ų91140.6 Ų140.664%0.63669%0.692SS**  trans-89.4123.2166.962.20000108.3G49S47-G49 PolarHBondContact O-N 2.81Å
48F76.3Confident72.8Confident208 Ų208138.6 Ų138.691%0.91269%0.692SS**SBendtrans-79.680.6168.9-66.6-78.6000108.3
49G67.8Low71.6Confident57 Ų57142.3 Ų142.359%0.58872%0.717SS**  trans84.2128.7173.900000114.2S47 R51S47-G49 PolarHBondContact O-N 2.81Å; G49-R51 PolarHBondContact O-N 3.3Å
50I67.9Low70.6Confident130 Ų130139 Ų13967%0.66771%0.707SS**  trans-72.6120.9165.2-61158.5000105.8H52I50-H52 VanDerWaalsContact C-N 3.32Å; I50-H52 PolarHBondContact O-CD2 2.93Å; I50-H52 PolarHBondContact O-N 3.36Å
51R67.3Low69.6Low245 Ų245136.8 Ų136.893%0.92571%0.705SS**  trans-70.898167.4-62.1-161.3-158.3-140.38.6106.9G49 E53G49-R51 PolarHBondContact O-N 3.3Å; R51-E53 PolarHBondContact O-N 2.57Å
52H70.3Confident68.4Low146 Ų146131 Ų13168%0.67669%0.687SS**  trans-56.9138167.4-70.3-84.7000108.2I50 K54I50-H52 VanDerWaalsContact C-N 3.32Å; I50-H52 PolarHBondContact O-CD2 2.93Å; I50-H52 PolarHBondContact O-N 3.36Å; H52-K54 PolarHBondContact O-N 3.05Å
53E69.9Low67.5Low170 Ų170130.6 Ų130.679%0.79470%0.7SS**  trans-49.7129.2172.1-165.2172.3-167.200107.5R51 F55R51-E53 PolarHBondContact O-N 2.57Å; E53-F55 VanDerWaalsContact C-N 3.26Å; E53-F55 PolarHBondContact O-N 3.43Å
54K62.9Low66.6Low189 Ų189133.4 Ų133.482%0.82271%0.714SS**  trans-62.197.3177.2-66.4179.5-179-179.90105.8H52 N56H52-K54 PolarHBondContact O-N 3.05Å; K54-N56 PolarHBondContact O-N 2.67Å
55F62.5Low65.8Low182 Ų182139.2 Ų139.280%0.79873%0.725SS**  trans-55.5111.3163.1-75.1-85.2000104.6E53 S57E53-F55 VanDerWaalsContact C-N 3.26Å; E53-F55 PolarHBondContact O-N 3.43Å; F55-S57 PolarHBondContact O-N 2.93Å
56N58.1Low65.3Low144 Ų144144.6 Ų144.677%0.7774%0.742SS**  trans-47.8114.4177-74.1-34.2000107.4K54 E58K54-N56 PolarHBondContact O-N 2.67Å; N56-E58 PolarHBondContact O-N 2.73Å
57S58.4Low64.9Low121 Ų121139.4 Ų139.485%0.84674%0.735SS**THydrogen-bonded Turntrans-72.916.8-172.5175.80000112.5F55F55-S57 PolarHBondContact O-N 2.93Å
58E57.9Low65Low180 Ų180140 Ų14084%0.84173%0.731SS**THydrogen-bonded Turntrans-106.86.8-172.3-66.5-172174.100113.1N56 S60N56-E58 PolarHBondContact O-N 2.73Å; E58-S60 VanDerWaalsContact C-N 3.32Å; E58-S60 PolarHBondContact O-N 3.05Å
59C57.1Low64.9Low114 Ų114135.8 Ų135.877%0.7773%0.727SS**  trans-94.558.5171.9-159.80000111
60S62.7Low65.3Low96 Ų96137.4 Ų137.467%0.67172%0.718SS**  trans-76.4123.8143.363.20000104.7E58 G62E58-S60 VanDerWaalsContact C-N 3.32Å; E58-S60 PolarHBondContact O-N 3.05Å; S60-G62 PolarHBondContact O-N 3.23Å
61P62.5Low65.9Low96 Ų96135.4 Ų135.462%0.62371%0.708SS**  trans-61.7103169.722.3-23.9000104.7
62G57.2Low66.6Low48 Ų48128.8 Ų128.850%0.49569%0.69SS.*  trans-45.6143.3166.200000107.3S60 C64S60-G62 PolarHBondContact O-N 3.23Å; G62-C64 WeakPolarHBondContact O-CA 3.33Å; G62-C64 PolarHBondContact O-N 3.05Å
63P64.6Low67.1Low120 Ų120132.8 Ų132.878%0.77970%0.7SS**  trans-43.199.9-166.414.8-29.6000110.5Y65P63-Y65 PolarHBondContact O-N 3.01Å
64C62.7Low67.8Low90 Ų90131.1 Ų131.161%0.60870%0.696SS**  trans-76.70.8-167.2-173.80000111.2G62G62-C64 WeakPolarHBondContact O-CA 3.33Å; G62-C64 PolarHBondContact O-N 3.05Å
65Y65Low68.7Low180 Ų180123.8 Ų123.871%0.70667%0.674SS**  trans-135.399.4-171.2-20.9-76.1000106.7P63 P67P63-Y65 PolarHBondContact O-N 3.01Å; Y65-P67 WeakPolarHBondContact O-CD 3.44Å
66Y69.8Low69.8Low222 Ų222121 Ų12187%0.87166%0.661SS**PPolyproline II helixtrans-60.2118.6152.1-74.2-82.5000105.7D68Y66-D68 PolarHBondContact O-N 2.77Å
67P70Confident70.9Confident98 Ų98117 Ų11764%0.63664%0.64SS**PPolyproline II helixtrans-57.8134.9175.423.7-31.3000108.1Y65 S69Y65-P67 WeakPolarHBondContact O-CD 3.44Å; P67-S69 PolarHBondContact O-N 3.22Å
68D73.2Confident72Confident103 Ų103114.9 Ų114.955%0.55164%0.638SS**PPolyproline II helixtrans-47.3136.4174.3-81.4-19000109.4Y66 K70 I71 K76Y66-D68 PolarHBondContact O-N 2.77Å; D68-K70 PolarHBondContact O-N 3.25Å; D68-I71 HydrophobicContact CB-CD1 4.11Å; D68-I71 HydrophobicContact CB-CG1 4.24Å; D68-I71 PolarHBondContact O-N 2.9Å; D68-K76 IonicContact OD2-NZ 3.79Å
69S75Confident73.2Confident120 Ų120109.9 Ų109.984%0.83962%0.619SS**THydrogen-bonded Turntrans-57.1-7.9179.857.10000114.8P67P67-S69 PolarHBondContact O-N 3.22Å
70K76.2Confident74.2Confident91 Ų91108.7 Ų108.740%0.39661%0.61SS.*THydrogen-bonded Turntrans-101.15178-59.4-172.6174.5-166.40114.1D68 D77 H81D68-K70 PolarHBondContact O-N 3.25Å; K70-D77 HydrophobicContact CB-CB 4.39Å; K70-D77 PolarHBondContact O-N 3.09Å; K70-H81 PolarHBondContact NZ-CE1 3.14Å; K70-H81 PolarHBondContact NZ-NE2 3.16Å
71I81.3Confident74.8Confident89 Ų89110 Ų11046%0.45661%0.606SS.*EExtended strand (participates in β ladder)trans-104.2106.8173.8-60.4170.8000107.2D68 K76D68-I71 HydrophobicContact CB-CD1 4.11Å; D68-I71 HydrophobicContact CB-CG1 4.24Å; D68-I71 PolarHBondContact O-N 2.9Å; I71-K76 HydrophobicContact CG1-CD 3.89Å
72L81.5Confident75.5Confident105 Ų105115.2 Ų115.255%0.5561%0.614SS.*EExtended strand (participates in β ladder)trans-90.9165.3174.7-56.5174.7000109.3D74 G75L72-D74 PolarHBondContact O-N 3.08Å; L72-D74 VanDerWaalsContact O-N 3.14Å; L72-G75 CarbonylContact C-O 3.58Å; L72-G75 WeakPolarHBondContact CA-O 3.42Å; L72-G75 WeakPolarHBondContact CB-O 2.85Å; L72-G75 PolarHBondContact N-O 3.2Å; L72-G75 PolarHBondContact O-N 3.2Å; L72-G75 VanDerWaalsContact O-O 3.13Å
73R80.8Confident76.3Confident231 Ų231116.9 Ų116.987%0.87262%0.618SS**THydrogen-bonded Turntrans-52.5-36.5177.6-172.1-166.968.1173.6-3.1112.7
74D83.7Confident76.9Confident135 Ų135119.9 Ų119.972%0.72263%0.627SS**THydrogen-bonded Turntrans-91.1-2.3-174.8-52.7-23.1000112.3L72L72-D74 PolarHBondContact O-N 3.08Å; L72-D74 VanDerWaalsContact O-N 3.14Å
75G83.7Confident77.6Confident34 Ų34125.3 Ų125.335%0.35164%0.636SS.*EExtended strand (participates in β ladder)trans136.5-174.6-179.500000113.9L72L72-G75 CarbonylContact C-O 3.58Å; L72-G75 WeakPolarHBondContact CA-O 3.42Å; L72-G75 WeakPolarHBondContact CB-O 2.85Å; L72-G75 PolarHBondContact N-O 3.2Å; L72-G75 PolarHBondContact O-N 3.2Å; L72-G75 VanDerWaalsContact O-O 3.13Å
76K84.4Confident77.8Confident123 Ų123122.3 Ų122.354%0.53564%0.642SS.*EExtended strand (participates in β ladder)trans-65.2140.7175.3-164.779.1173.6-178.10109.7D68 I71 G78D68-K76 IonicContact OD2-NZ 3.79Å; I71-K76 HydrophobicContact CG1-CD 3.89Å; K76-G78 PolarHBondContact O-N 3.41Å
77D82Confident77.9Confident61 Ų61122.1 Ų122.133%0.32664%0.639SS.*  trans-51.8124.1172.5-174.813.9000110.7K70 T79K70-D77 HydrophobicContact CB-CB 4.39Å; K70-D77 PolarHBondContact O-N 3.09Å; D77-T79 VanDerWaalsContact C-N 3.29Å; D77-T79 PolarHBondContact O-N 3.15Å; D77-T79 WeakPolarHBondContact OD1-CG2 3.21Å; D77-T79 PolarHBondContact OD1-N 3.27Å; D77-T79 PolarHBondContact OD2-OG1 3.31Å
78G80.3Confident77.9Confident77 Ų77126.1 Ų126.179%0.79465%0.649SS**  trans-87.78.5-172.800000114.1K76K76-G78 PolarHBondContact O-N 3.41Å
79T82.7Confident77.7Confident74 Ų74130.2 Ų130.245%0.45466%0.662SS.*SBendtrans-63.5138.8178.151.40000111D77 H81D77-T79 VanDerWaalsContact C-N 3.29Å; D77-T79 PolarHBondContact O-N 3.15Å; D77-T79 WeakPolarHBondContact OD1-CG2 3.21Å; D77-T79 PolarHBondContact OD1-N 3.27Å; D77-T79 PolarHBondContact OD2-OG1 3.31Å; T79-H81 PolarHBondContact O-N 3.35Å
80P78.6Confident77.3Confident89 Ų89131.4 Ų131.458%0.57865%0.654SS**PPolyproline II helixtrans-60.7125.7-179.123.2-32.4000110.7Y82P80-Y82 HydrophobicContact CB-CE2 4.33Å; P80-Y82 HydrophobicContact CG-CE2 4.2Å; P80-Y82 WeakPolarHBondContact O-CE2 3.22Å
81H75Confident76.8Confident125 Ų125130.6 Ų130.658%0.57967%0.665SS**PPolyproline II helixtrans-89.1122.6176.2-94.6-135.6000110.5K70 T79K70-H81 PolarHBondContact NZ-CE1 3.14Å; K70-H81 PolarHBondContact NZ-NE2 3.16Å; T79-H81 PolarHBondContact O-N 3.35Å
82Y77.7Confident76Confident205 Ų205133.9 Ų133.980%0.80468%0.68SS**PPolyproline II helixtrans-101122.7172.1-50.7-82.5000108.8P80P80-Y82 HydrophobicContact CB-CE2 4.33Å; P80-Y82 HydrophobicContact CG-CE2 4.2Å; P80-Y82 WeakPolarHBondContact O-CE2 3.22Å
83S73.6Confident75.2Confident83 Ų83134.5 Ų134.558%0.5868%0.683SS**  trans-106.6138.1169.563.90000109.9Y85S83-Y85 PolarHBondContact O-N 2.66Å; S83-Y85 PolarHBondContact OG-O 2.99Å
84L77.8Confident74.7Confident183 Ų183131.6 Ų131.696%0.95868%0.677SS**SBendtrans-72.6-12.6167-71.2175.4000112.6
85Y76.7Confident74.3Confident203 Ų203130.2 Ų130.280%0.79668%0.678SS**SBendtrans-88.8154.1176.6-64.6-75.8000112.2S83 R87S83-Y85 PolarHBondContact O-N 2.66Å; S83-Y85 PolarHBondContact OG-O 2.99Å; Y85-R87 PolarHBondContact O-N 2.86Å
86S70.9Confident74.2Confident118 Ų118134.2 Ų134.283%0.82569%0.691SS**PPolyproline II helixtrans-53.9131.2-179.858.20000112.6
87R70.4Confident74.2Confident218 Ų218131.4 Ų131.482%0.82369%0.686SS**PPolyproline II helixtrans-69.2140.2178.8-161.6179.6-77-179.1-3.9110.6Y85Y85-R87 PolarHBondContact O-N 2.86Å
88Q69.7Low74.3Confident182 Ų182130.4 Ų130.485%0.8569%0.69SS**PPolyproline II helixtrans-60.4141.9173.9-58.6-174.3-55.400109.4E90Q88-E90 PolarHBondContact O-N 2.86Å; Q88-E90 VanDerWaalsContact O-N 3.13Å
89K68.8Low74.4Confident188 Ų188132.9 Ų132.982%0.81769%0.692SS**PPolyproline II helixtrans-59.7118.7179-162.1177.7-174.4-1790108A91K89-A91 PolarHBondContact O-N 2.64Å
90E67.8Low74.4Confident145 Ų145133.1 Ų133.168%0.67871%0.709SS**PPolyproline II helixtrans-47.5126.4174.6-156.777.7-133.900107.9Q88 M92Q88-E90 PolarHBondContact O-N 2.86Å; Q88-E90 VanDerWaalsContact O-N 3.13Å; E90-M92 PolarHBondContact O-N 3.25Å
91A66.3Low74.7Confident75 Ų75132 Ų13262%0.6271%0.707SS**PPolyproline II helixtrans-54.3136.6173.100000107.5K89 I93K89-A91 PolarHBondContact O-N 2.64Å; A91-I93 HydrophobicContact CB-CG1 4.43Å; A91-I93 WeakPolarHBondContact O-CG1 3.43Å; A91-I93 PolarHBondContact O-N 2.81Å
92M63.1Low75.1Confident158 Ų158132.4 Ų132.478%0.77870%0.704SS**  trans-67.983.3173.3-69.5-179179.100108E90 F94E90-M92 PolarHBondContact O-N 3.25Å; M92-F94 PolarHBondContact O-N 2.83Å
93I65.9Low75.2Confident118 Ų118126.7 Ų126.761%0.60569%0.691SS**  trans-66.3-21.5-177.1-65.6156.7000110.6A91A91-I93 HydrophobicContact CB-CG1 4.43Å; A91-I93 WeakPolarHBondContact O-CG1 3.43Å; A91-I93 PolarHBondContact O-N 2.81Å
94F69.6Low75.5Confident169 Ų169127.7 Ų127.774%0.74170%0.695SS**  trans-126.581.7-176.6-65.2-80000111.4M92 N96M92-F94 PolarHBondContact O-N 2.83Å; F94-N96 PolarHBondContact O-N 2.67Å
95S75.2Confident75.7Confident107 Ų107126.9 Ų126.975%0.74869%0.687SS**  trans-94.672.3164.6-179.70000109.1
96N81Confident75.7Confident117 Ų117122.5 Ų122.563%0.62668%0.677SS**PPolyproline II helixtrans-75134.3174-64.4-30.8000109.3F94F94-N96 PolarHBondContact O-N 2.67Å
97P84.3Confident76Confident64 Ų64118 Ų11842%0.41665%0.649SS.*PPolyproline II helixtrans-57.9144172.314.1-18.8000110.4A101 Y102P97-A101 HydrophobicContact CB-CB 3.6Å; P97-Y102 HydrophobicContact CB-CE2 4.36Å; P97-Y102 HydrophobicContact CG-CD1 4.49Å; P97-Y102 HydrophobicContact CG-CE1 3.86Å; P97-Y102 HydrophobicContact CG-CE2 4.2Å; P97-Y102 VanDerWaalsContact O-CE2 3.23Å; P97-Y102 WeakPolarHBondContact O-CE2 3.33Å; P97-Y102 PolarHBondContact O-OH 2.73Å
98G84.2Confident76.3Confident41 Ų41111.8 Ų111.842%0.42363%0.632SS.*PPolyproline II helixtrans-62.5164.5173.600000111.7G100 A101 Y102G98-G100 PolarHBondContact O-N 3.21Å; G98-A101 WeakPolarHBondContact O-CB 3.34Å; G98-A101 PolarHBondContact O-N 2.92Å; G98-Y102 VanDerWaalsContact O-CD2 3.32Å; G98-Y102 WeakPolarHBondContact O-CD2 3.39Å; G98-Y102 WeakPolarHBondContact O-CE2 3.19Å
99P83.1Confident76.5Confident129 Ų129109 Ų10984%0.83862%0.619SS**G310 helixtrans-56.7-29.2-174.521-32.6000114
100G83.1Confident76.9Confident78 Ų78108.5 Ų108.580%0.80462%0.617SS**G310 helixtrans-85.7-7.3176.500000115.8G98G98-G100 PolarHBondContact O-N 3.21Å
101A84.6Confident77.6Confident65 Ų65106.5 Ų106.554%0.53762%0.615SS.*G310 helixtrans-87.9-8.1178.500000112.7P97 G98 T103P97-A101 HydrophobicContact CB-CB 3.6Å; G98-A101 WeakPolarHBondContact O-CB 3.34Å; G98-A101 PolarHBondContact O-N 2.92Å; A101-T103 PolarHBondContact O-N 2.89Å
102Y82.6Confident78.5Confident134 Ų134109.1 Ų109.153%0.52561%0.613SS.*  trans-79.5114.6171.1-62.4-85.8000109.2P97 G98 P104P97-Y102 HydrophobicContact CB-CE2 4.36Å; P97-Y102 HydrophobicContact CG-CD1 4.49Å; P97-Y102 HydrophobicContact CG-CE1 3.86Å; P97-Y102 HydrophobicContact CG-CE2 4.2Å; P97-Y102 VanDerWaalsContact O-CE2 3.23Å; P97-Y102 WeakPolarHBondContact O-CE2 3.33Å; P97-Y102 PolarHBondContact O-OH 2.73Å; G98-Y102 VanDerWaalsContact O-CD2 3.32Å; G98-Y102 WeakPolarHBondContact O-CD2 3.39Å; G98-Y102 WeakPolarHBondContact O-CE2 3.19Å; Y102-P104 WeakPolarHBondContact O-CD 3.49Å
103T81.5Confident79.4Confident86 Ų86107.7 Ų107.753%0.52862%0.618SS.*  trans-101.787.1169.655.90000109.2A101 E105 N106A101-T103 PolarHBondContact O-N 2.89Å; T103-E105 PolarHBondContact O-N 2.7Å; T103-N106 PolarHBondContact O-N 3.09Å; T103-N106 PolarHBondContact OG1-ND2 3.31Å
104P79.3Confident80.1Confident103 Ų103108.2 Ų108.267%0.66962%0.616SS**G310 helixtrans-63.9-25.7-178.327.1-35.1000112.3Y102 N106 G107Y102-P104 WeakPolarHBondContact O-CD 3.49Å; P104-N106 VanDerWaalsContact C-N 3.25Å; P104-N106 PolarHBondContact O-N 3.03Å; P104-G107 WeakPolarHBondContact O-CA 3.35Å; P104-G107 PolarHBondContact O-N 3.12Å
105E81.7Confident80.9Confident166 Ų166104.3 Ų104.378%0.77662%0.615SS**G310 helixtrans-59.7-33.5178.4-59.3-177.3177.200112.8T103 G107T103-E105 PolarHBondContact O-N 2.7Å; E105-G107 PolarHBondContact O-N 2.98Å
106N77.1Confident81.3Confident112 Ų112103.7 Ų103.760%0.59961%0.608SS**G310 helixtrans-77.3-11175.6-65.6-34.9000112.5T103 P104 D108T103-N106 PolarHBondContact O-N 3.09Å; T103-N106 PolarHBondContact OG1-ND2 3.31Å; P104-N106 VanDerWaalsContact C-N 3.25Å; P104-N106 PolarHBondContact O-N 3.03Å; N106-D108 VanDerWaalsContact C-N 3.34Å
107G75.9Confident81.4Confident22 Ų22102.5 Ų102.523%0.22762%0.615CS.*G310 helixtrans-73.8-21.2-177.500000113.9P104 E105 Q109 F110 V111P104-G107 WeakPolarHBondContact O-CA 3.35Å; P104-G107 PolarHBondContact O-N 3.12Å; E105-G107 PolarHBondContact O-N 2.98Å; G107-Q109 PolarHBondContact O-N 3.26Å; G107-F110 PolarHBondContact O-N 3.38Å; G107-V111 WeakPolarHBondContact O-CG2 3.43Å; G107-V111 PolarHBondContact O-N 3.28Å; G107-V111 VanDerWaalsContact O-N 3.12Å
108D77.5Confident81.3Confident88 Ų88109.4 Ų109.447%0.47163%0.634SS.*Hα-helixtrans-56.2-28.6-177-79.7-5.7000113.1N106 F110 V111 F112N106-D108 VanDerWaalsContact C-N 3.34Å; D108-F110 PolarHBondContact O-N 2.96Å; D108-V111 PolarHBondContact O-N 3.24Å; D108-F112 HydrophobicContact CB-CD2 4.15Å; D108-F112 PolarHBondContact O-N 2.8Å; D108-F112 VanDerWaalsContact O-N 3.1Å; D108-F112 WeakPolarHBondContact OD1-CE2 3.2Å
109Q73.2Confident81.1Confident124 Ų124109.8 Ų109.858%0.57963%0.63SS**Hα-helixtrans-64.1-26.3175-174.21662500113.7G107 K114G107-Q109 PolarHBondContact O-N 3.26Å; Q109-K114 HydrophobicContact CG-CD 4.25Å
110F77.2Confident81Confident177 Ų177112.6 Ų112.678%0.77664%0.637SS**Hα-helixtrans-100-24.7-179.8-56.6-78.3000112.6G107 D108G107-F110 PolarHBondContact O-N 3.38Å; D108-F110 PolarHBondContact O-N 2.96Å
111V82.4Confident80.9Confident104 Ų104112.8 Ų112.863%0.6363%0.626SS**Hα-helixtrans-84.2-40.8-177.6179.70000111.5G107 D108G107-V111 WeakPolarHBondContact O-CG2 3.43Å; G107-V111 PolarHBondContact O-N 3.28Å; G107-V111 VanDerWaalsContact O-N 3.12Å; D108-V111 PolarHBondContact O-N 3.24Å
112F85.1Confident80.5Confident130 Ų130114.1 Ų114.157%0.5763%0.632SS**SBendtrans-109.1141.9-175.3-57.6-71.2000112.1D108 K114D108-F112 HydrophobicContact CB-CD2 4.15Å; D108-F112 PolarHBondContact O-N 2.8Å; D108-F112 VanDerWaalsContact O-N 3.1Å; D108-F112 WeakPolarHBondContact OD1-CE2 3.2Å; F112-K114 PolarHBondContact O-N 2.94Å
113S83.7Confident79.9Confident127 Ų127116.7 Ų116.789%0.88864%0.64SS**  trans-57.8125.8167.6169.70000110.2
114K80.1Confident79.2Confident129 Ų129118.7 Ų118.756%0.56165%0.648SS**  trans-105.3140.9172.4-77.5-175.1176178.70110.3Q109 F112Q109-K114 HydrophobicContact CG-CD 4.25Å; F112-K114 PolarHBondContact O-N 2.94Å
115A86Confident78.5Confident87 Ų87121.9 Ų121.972%0.71965%0.651SS**  trans-62.4148167.500000110.3A117A115-A117 PolarHBondContact O-N 3.44Å
116P83.6Confident77.8Confident95 Ų95122.8 Ų122.862%0.61766%0.655SS**  trans-56.3124.4176-2231.3000111.2Y118P116-Y118 HydrophobicContact CB-CE1 4.33Å; P116-Y118 HydrophobicContact CB-CE2 3.92Å
117A82.9Confident77.1Confident92 Ų92125.6 Ų125.676%0.7666%0.662SS**  trans-93.5114.8172.500000109.6A115A115-A117 PolarHBondContact O-N 3.44Å
118Y82.3Confident76.6Confident208 Ų208134.2 Ų134.282%0.81669%0.694SS**  trans-93.4129.8175.8-54.3-80.3000109.6P116P116-Y118 HydrophobicContact CB-CE1 4.33Å; P116-Y118 HydrophobicContact CB-CE2 3.92Å
119S80.1Confident75.9Confident49 Ų49136.1 Ų136.134%0.34371%0.708SS.*  trans-106133.4171.164.50000109.2S121 R123S119-S121 PolarHBondContact O-N 3.36Å; S119-R123 VanDerWaalsContact OG-CZ 3.27Å; S119-R123 PolarHBondContact OG-NE 2.7Å; S119-R123 PolarHBondContact OG-NH2 3.16Å; S119-R123 VanDerWaalsContact OG-NH2 3.15Å
120L81.3Confident75.7Confident188 Ų188136.4 Ų136.498%0.98471%0.714SS**  trans-80.70.5174-66.7174.7000113.4
121S80.1Confident75.4Confident82 Ų82135.8 Ų135.857%0.57372%0.719SS**SBendtrans-74.3146.7175.153.90000111.6S119 R123S119-S121 PolarHBondContact O-N 3.36Å; S121-R123 PolarHBondContact O-N 3.23Å
122S76.6Confident75Confident93 Ų93134.7 Ų134.765%0.6571%0.712SS**  trans-62.8124176.887.30000109.3N124S122-N124 PolarHBondContact O-N 3.21Å; S122-N124 PolarHBondContact OG-ND2 3.41Å
123R70.1Confident74.7Confident188 Ų188130.5 Ų130.571%0.70970%0.698SS**  trans-92.258.1171.9-61.8-151.2-163.5-113.910.6109.3S119 S121 K125S119-R123 VanDerWaalsContact OG-CZ 3.27Å; S119-R123 PolarHBondContact OG-NE 2.7Å; S119-R123 PolarHBondContact OG-NH2 3.16Å; S119-R123 VanDerWaalsContact OG-NH2 3.15Å; S121-R123 PolarHBondContact O-N 3.23Å; R123-K125 PolarHBondContact O-N 2.85Å
124N68Low74.6Confident128 Ų128126 Ų12668%0.68467%0.672SS**  trans-80.182.4166.4-58.8-18000105.4S122 E126S122-N124 PolarHBondContact O-N 3.21Å; S122-N124 PolarHBondContact OG-ND2 3.41Å; N124-E126 PolarHBondContact O-N 3.36Å; N124-E126 VanDerWaalsContact O-N 3.07Å
125K63.7Low74.7Confident171 Ų171125.9 Ų125.974%0.74368%0.684SS**  trans-52.3122156.9-164.5174.9-172.8179.40103.4R123 F127R123-K125 PolarHBondContact O-N 2.85Å; K125-F127 VanDerWaalsContact O-CD2 3.22Å; K125-F127 WeakPolarHBondContact O-CD2 3.15Å; K125-F127 PolarHBondContact O-N 3.38Å
126E66.4Low74.6Confident184 Ų184128.9 Ų128.986%0.8669%0.688SS**  trans-52.493.9173-68.8171.2179.200105.9N124 K128N124-E126 PolarHBondContact O-N 3.36Å; N124-E126 VanDerWaalsContact O-N 3.07Å; E126-K128 VanDerWaalsContact C-N 3.31Å; E126-K128 PolarHBondContact O-N 3.5Å
127F63Low74.5Confident171 Ų171133 Ų13375%0.7569%0.691SS**  trans-63.7111.9167.4-75.9-82.1000101.1K125 V129K125-F127 VanDerWaalsContact O-CD2 3.22Å; K125-F127 WeakPolarHBondContact O-CD2 3.15Å; K125-F127 PolarHBondContact O-N 3.38Å; F127-V129 PolarHBondContact O-N 3.26Å
128K64.6Low74.3Confident204 Ų204135.4 Ų135.489%0.88768%0.682SS**  trans-54.497.3159.4-71.4-175.2175.9-175.90103.7E126 D130E126-K128 VanDerWaalsContact C-N 3.31Å; E126-K128 PolarHBondContact O-N 3.5Å; K128-D130 VanDerWaalsContact C-N 3.26Å; K128-D130 PolarHBondContact O-N 3.46Å
129V64Low74Confident127 Ų127131.3 Ų131.377%0.7767%0.674SS**  trans-61.4107.8167.5-176.10000101.2F127 D131F127-V129 PolarHBondContact O-N 3.26Å; V129-D131 PolarHBondContact O-N 3.5Å; V129-D131 VanDerWaalsContact O-N 3.15Å
130D69.5Low73.7Confident131 Ų131136.5 Ų136.570%0.70170%0.696SS**  trans-48.2128.5174.9-156.58.8000105.1K128 V132K128-D130 VanDerWaalsContact C-N 3.26Å; K128-D130 PolarHBondContact O-N 3.46Å; D130-V132 HydrophobicContact CB-CG2 3.69Å; D130-V132 PolarHBondContact O-N 2.87Å
131D69.2Low73.2Confident164 Ų164128.8 Ų128.888%0.87766%0.656SS**  trans-76.545.3-165.9-137.62.6000109.6V129 P133V129-D131 PolarHBondContact O-N 3.5Å; V129-D131 VanDerWaalsContact O-N 3.15Å; D131-P133 WeakPolarHBondContact O-CD 3.4Å
132V74.9Confident72.6Confident81 Ų81129.5 Ų129.549%0.49166%0.659SS.*  trans-82.3112.6-174.3-175.70000105.4D130 Y138D130-V132 HydrophobicContact CB-CG2 3.69Å; D130-V132 PolarHBondContact O-N 2.87Å; V132-Y138 WeakPolarHBondContact CG1-OH 3.16Å
133P79.2Confident72.1Confident41 Ų41131.6 Ų131.627%0.26666%0.66SS.*  trans-58.2145.817723-30.8000109.8D131 R137 Y138D131-P133 WeakPolarHBondContact O-CD 3.4Å; P133-R137 HydrophobicContact CB-CB 3.7Å; P133-R137 HydrophobicContact CB-CG 3.6Å; P133-Y138 HydrophobicContact CG-CD1 4.24Å; P133-Y138 HydrophobicContact CG-CE1 4.01Å; P133-Y138 WeakPolarHBondContact O-CE2 3.3Å
134G82.1Confident71.9Confident34 Ų34130 Ų13035%0.35167%0.665SS.*  trans-52.5158.5170.400000111.6N136 R137G134-N136 PolarHBondContact O-N 3.22Å; G134-R137 PolarHBondContact O-N 3.28Å
135P81.6Confident71.8Confident126 Ų126125.1 Ų125.182%0.81864%0.644SS**THydrogen-bonded Turntrans-55.6-24.4-173.420.4-32.1000114.1
136N83.3Confident71.7Confident150 Ų150126.4 Ų126.480%0.80265%0.65SS**THydrogen-bonded Turntrans-86.6-0.6177.562.8-11.9000115G134G134-N136 PolarHBondContact O-N 3.22Å
137R82.1Confident71.4Confident180 Ų180118.7 Ų118.768%0.67962%0.616SS**  trans-1133.3-173.6179.6175.8173.1-166.6-4.2113.4P133 G134 N139P133-R137 HydrophobicContact CB-CB 3.7Å; P133-R137 HydrophobicContact CB-CG 3.6Å; G134-R137 PolarHBondContact O-N 3.28Å; R137-N139 VanDerWaalsContact C-N 3.34Å; R137-N139 PolarHBondContact O-N 3.35Å
138Y78.2Confident71.4Confident143 Ų143117.4 Ų117.456%0.56162%0.621SS**  trans-70.988.2168.5-66-82.9000110.7V132 P133V132-Y138 WeakPolarHBondContact CG1-OH 3.16Å; P133-Y138 HydrophobicContact CG-CD1 4.24Å; P133-Y138 HydrophobicContact CG-CE1 4.01Å; P133-Y138 WeakPolarHBondContact O-CE2 3.3Å
139N76.9Confident71.4Confident122 Ų122115.6 Ų115.665%0.65261%0.609SS**PPolyproline II helixtrans-79.7127.6164.9-69-28.1000108.4R137 R149R137-N139 VanDerWaalsContact C-N 3.34Å; R137-N139 PolarHBondContact O-N 3.35Å; N139-R149 PolarHBondContact O-NH2 2.9Å
140I73.7Confident71.4Confident158 Ų158110.8 Ų110.881%0.8158%0.581SS**PPolyproline II helixtrans-72.1140.9166.446.2170.4000109.3
141D70.2Confident71.3Confident27 Ų27114.1 Ų114.114%0.14459%0.593CS.*PPolyproline II helixtrans-63.6132.3171.9-78.1-2.1000108.8M143 T147 R149 S150D141-M143 PolarHBondContact O-N 3.14Å; D141-T147 HydrophobicContact CB-CG2 3.93Å; D141-R149 IonicContact OD1-CZ 3.19Å; D141-R149 IonicContact OD1-NE 2.77Å; D141-R149 PolarHBondContact OD1-NE 3.28Å; D141-R149 IonicContact OD1-NH2 2.72Å; D141-R149 PolarHBondContact OD1-NH2 2.69Å; D141-R149 VanDerWaalsContact OD2-CB 3.31Å; D141-R149 WeakPolarHBondContact OD2-CB 3.32Å; D141-R149 PolarHBondContact OD2-N 3.45Å; D141-R149 IonicContact OD2-NE 3.94Å; D141-S150 PolarHBondContact OD2-N 3.42Å
142P66.6Low71.3Confident97 Ų97113.9 Ų113.963%0.6358%0.584SS**PPolyproline II helixtrans-60.7117.3171.623.6-30000108.3L144P142-L144 PolarHBondContact O-N 3.06Å; P142-L144 VanDerWaalsContact O-N 3.14Å
143M67.4Low70.9Confident136 Ų136119.5 Ų119.567%0.6760%0.604SS**SBendtrans-69.7-5.9176.6-61.4-65164.600112.3D141 G145D141-M143 PolarHBondContact O-N 3.14Å; M143-G145 PolarHBondContact O-N 3.28Å
144L65.1Low70.3Confident155 Ų155119.7 Ų119.781%0.81261%0.607SS**SBendtrans-89.296.5176.1-158.771.7000109.3P142P142-L144 PolarHBondContact O-N 3.06Å; P142-L144 VanDerWaalsContact O-N 3.14Å
145G65.7Low69.8Low25 Ų25121.8 Ų121.826%0.25862%0.621SS.*SBendtrans102.8-168.7-179.600000114M143 T147 S154M143-G145 PolarHBondContact O-N 3.28Å; G145-T147 PolarHBondContact O-N 3.45Å; G145-S154 VanDerWaalsContact C-OG 3.24Å; G145-S154 WeakPolarHBondContact O-CB 3.37Å; G145-S154 PolarHBondContact O-OG 2.77Å
146K61.8Low69.3Low199 Ų199120.2 Ų120.287%0.86561%0.611SS**  trans-68.6117.3-175.3-70.4-176.9177.7-176.40110.3
147T60.6Low68.5Low22 Ų22116.3 Ų116.314%0.13560%0.599CS.*  trans-82.3126.7172.752.20000109.9D141 G145 S150 K152D141-T147 HydrophobicContact CB-CG2 3.93Å; G145-T147 PolarHBondContact O-N 3.45Å; T147-S150 PolarHBondContact OG1-O 3.25Å; T147-K152 PolarHBondContact OG1-O 3.24Å
148V63.3Low68Low144 Ų144117.4 Ų117.487%0.87361%0.605SS**SBendtrans-79.1-36.41801800000111.4
149R64.5Low67.5Low165 Ų165114.7 Ų114.762%0.62361%0.607SS**SBendtrans-93.6-33.7-173.8-55.3-173.6-70-178.3-1.3112.6N139 D141N139-R149 PolarHBondContact O-NH2 2.9Å; D141-R149 IonicContact OD1-CZ 3.19Å; D141-R149 IonicContact OD1-NE 2.77Å; D141-R149 PolarHBondContact OD1-NE 3.28Å; D141-R149 IonicContact OD1-NH2 2.72Å; D141-R149 PolarHBondContact OD1-NH2 2.69Å; D141-R149 VanDerWaalsContact OD2-CB 3.31Å; D141-R149 WeakPolarHBondContact OD2-CB 3.32Å; D141-R149 PolarHBondContact OD2-N 3.45Å; D141-R149 IonicContact OD2-NE 3.94Å
150S64.3Low67.2Low27 Ų27117.6 Ų117.619%0.18962%0.622CS.*  trans-85.2114.7173.4161.10000110.1D141 T147 K152D141-S150 PolarHBondContact OD2-N 3.42Å; T147-S150 PolarHBondContact OG1-O 3.25Å; S150-K152 PolarHBondContact O-N 2.77Å; S150-K152 WeakPolarHBondContact OG-CB 3.17Å; S150-K152 WeakPolarHBondContact OG-CD 3.45Å; S150-K152 WeakPolarHBondContact OG-CG 3.25Å; S150-K152 PolarHBondContact OG-N 3.3Å
151Q66.4Low66.7Low201 Ų201114 Ų11494%0.93961%0.61SS**  trans-64.314.5167.7-75-84.6-13.900113.2
152K69.2Low66.4Low158 Ų158117 Ų11769%0.68763%0.633SS**SBendtrans-82135.9176.4-61177.4178.8-178.10109.5T147 S150 S154T147-K152 PolarHBondContact OG1-O 3.24Å; S150-K152 PolarHBondContact O-N 2.77Å; S150-K152 WeakPolarHBondContact OG-CB 3.17Å; S150-K152 WeakPolarHBondContact OG-CD 3.45Å; S150-K152 WeakPolarHBondContact OG-CG 3.25Å; S150-K152 PolarHBondContact OG-N 3.3Å; K152-S154 PolarHBondContact O-N 2.72Å
153Q67.1Low66.1Low199 Ų199124.1 Ų124.193%0.9365%0.648SS**PPolyproline II helixtrans-64.8125.6168.1-69.4-179-20.100108.9
154S66.4Low65.8Low46 Ų46122.4 Ų122.432%0.32265%0.645SS.*PPolyproline II helixtrans-84.7149.9171.553.80000111G145 K152G145-S154 VanDerWaalsContact C-OG 3.24Å; G145-S154 WeakPolarHBondContact O-CB 3.37Å; G145-S154 PolarHBondContact O-OG 2.77Å; K152-S154 PolarHBondContact O-N 2.72Å
155A71.4Confident65.6Low77 Ų77123.2 Ų123.264%0.63664%0.642SS**PPolyproline II helixtrans-63.914517400000110.3A157A155-A157 PolarHBondContact O-N 2.92Å
156P71.9Confident65.2Low93 Ų93129.7 Ų129.760%0.60467%0.67SS**PPolyproline II helixtrans-60.2123.1175.523.7-32.1000110.2Y158P156-Y158 HydrophobicContact CB-CE2 3.89Å; P156-Y158 HydrophobicContact CG-CE2 3.9Å
157A65.1Low65Low69 Ų69129.2 Ų129.257%0.5767%0.668SS**  trans-90.7112175.300000109.4A155A155-A157 PolarHBondContact O-N 2.92Å
158Y71.5Confident64.9Low202 Ų202130.6 Ų130.679%0.79269%0.687SS**  trans-94.7117.2171.8-56.7-78.9000108.5P156P156-Y158 HydrophobicContact CB-CE2 3.89Å; P156-Y158 HydrophobicContact CG-CE2 3.9Å
159S68.1Low64.7Low87 Ų87128 Ų12861%0.60868%0.68SS**  trans-93.1128.9168.9-168.60000109S161S159-S161 PolarHBondContact OG-N 3.24Å; S159-S161 VanDerWaalsContact OG-N 3.16Å; S159-S161 PolarHBondContact OG-OG 2.76Å
160L70.8Confident64.6Low183 Ų183124 Ų12496%0.95868%0.682SS**  trans-75.6-11.7167.4-68.1171.6000111.9S162L160-S162 PolarHBondContact O-N 2.96Å
161S63.2Low64.7Low82 Ų82131.5 Ų131.557%0.57372%0.715SS**SBendtrans-70.4103.5169.465.70000108.1S159 R163S159-S161 PolarHBondContact OG-N 3.24Å; S159-S161 VanDerWaalsContact OG-N 3.16Å; S159-S161 PolarHBondContact OG-OG 2.76Å; S161-R163 PolarHBondContact O-N 3.47Å; S161-R163 VanDerWaalsContact O-N 3.12Å
162S64.6Low65Low89 Ų89127 Ų12762%0.62270%0.701SS**  trans-44.6123.1162.148.30000107.2L160 T164L160-S162 PolarHBondContact O-N 2.96Å; S162-T164 PolarHBondContact O-N 3.42Å
163R60.6Low65.5Low248 Ų248122.4 Ų122.494%0.93669%0.687SS**  trans-67.274.4169.7-60.5-169.1-159.4-168.86.6107.5S161 K165S161-R163 PolarHBondContact O-N 3.47Å; S161-R163 VanDerWaalsContact O-N 3.12Å; R163-K165 PolarHBondContact O-N 2.68Å; R163-K165 VanDerWaalsContact O-N 3.09Å
164T60.4Low66Low100 Ų100115.3 Ų115.361%0.61367%0.667SS**  trans-63.8112.8160.443.40000104S162 L166S162-T164 PolarHBondContact O-N 3.42Å; T164-L166 PolarHBondContact O-N 3.03Å
165K60.2Low66.5Low172 Ų172118.1 Ų118.175%0.74869%0.693SS**  trans-45.4120.4155.9-65.3176.8-179.8178.70103.8R163 F167R163-K165 PolarHBondContact O-N 2.68Å; R163-K165 VanDerWaalsContact O-N 3.09Å; K165-F167 HydrophobicContact CB-CD2 4.39Å; K165-F167 HydrophobicContact CB-CE2 4.17Å; K165-F167 WeakPolarHBondContact O-CD2 2.97Å; K165-F167 PolarHBondContact O-N 2.92Å
166L57.1Low66.8Low160 Ų160118.2 Ų118.284%0.83870%0.702SS**  trans-59.489.1-179.4-69.1168.1000106.9T164 G168T164-L166 PolarHBondContact O-N 3.03Å; L166-G168 PolarHBondContact O-N 2.85Å
167F59Low67.2Low189 Ų189116.7 Ų116.783%0.82970%0.697SS**  trans-75.189.8174.1-81.4-74.3000105.4K165K165-F167 HydrophobicContact CB-CD2 4.39Å; K165-F167 HydrophobicContact CB-CE2 4.17Å; K165-F167 WeakPolarHBondContact O-CD2 2.97Å; K165-F167 PolarHBondContact O-N 2.92Å
168G58.6Low68Low51 Ų51120.3 Ų120.353%0.52670%0.697SS.*SBendtrans71.5134.6-173.600000110.7L166 A170L166-G168 PolarHBondContact O-N 2.85Å; G168-A170 PolarHBondContact O-N 3.31Å
169A58.2Low68.5Low90 Ų90118.6 Ų118.674%0.74470%0.701SS**  trans-53.9104.8142.700000104.3E171A169-E171 VanDerWaalsContact C-N 3.28Å; A169-E171 PolarHBondContact O-N 2.94Å
170A61.7Low69.1Low80 Ų80120.8 Ų120.866%0.66171%0.711SS**  trans-51.7111.716200000103.1G168 T172G168-A170 PolarHBondContact O-N 3.31Å; A170-T172 PolarHBondContact O-N 2.89Å
171E67.4Low69.8Low186 Ų186116.4 Ų116.487%0.86969%0.693SS**  trans-67.574.3-180-66.7-177168.200106A169 P173A169-E171 VanDerWaalsContact C-N 3.28Å; A169-E171 PolarHBondContact O-N 2.94Å; E171-P173 WeakPolarHBondContact O-CD 3.17Å
172T72.4Confident70.9Confident106 Ų106117.1 Ų117.165%0.6569%0.69SS**PPolyproline II helixtrans-66.6116.1169.949.70000104A170 G174A170-T172 PolarHBondContact O-N 2.89Å; T172-G174 PolarHBondContact O-N 2.94Å
173P78.9Confident71.9Confident61 Ų61116.8 Ų116.840%0.39668%0.681SS.*PPolyproline II helixtrans-50.1134176.912.6-23.8000108.8E171 A177 Y178E171-P173 WeakPolarHBondContact O-CD 3.17Å; P173-A177 HydrophobicContact CB-CB 3.32Å; P173-Y178 HydrophobicContact CG-CE1 4.08Å; P173-Y178 HydrophobicContact CG-CE2 4.44Å; P173-Y178 WeakPolarHBondContact O-CE2 3.31Å
174G78.6Confident73.2Confident50 Ų50108.2 Ų108.252%0.51565%0.654SS.*PPolyproline II helixtrans-54.7163.9175.100000110.7T172 G176 A177T172-G174 PolarHBondContact O-N 2.94Å; G174-G176 PolarHBondContact O-N 2.7Å; G174-A177 PolarHBondContact O-N 3.07Å
175A77.3Confident74.3Confident105 Ų105109.9 Ų109.987%0.86866%0.658SS**THydrogen-bonded Turntrans-52.5-20.7-173.400000115.1
176G76.8Confident75.6Confident80 Ų80109.1 Ų109.183%0.82565%0.651SS**THydrogen-bonded Turntrans-96.1-2.3175.700000116.8G174G174-G176 PolarHBondContact O-N 2.7Å
177A81.6Confident77.2Confident60 Ų60109.2 Ų109.250%0.49664%0.641SS.*  trans-94.11-177.600000113.5P173 G174 N179P173-A177 HydrophobicContact CB-CB 3.32Å; G174-A177 PolarHBondContact O-N 3.07Å; A177-N179 PolarHBondContact O-N 2.77Å
178Y81.8Confident78.6Confident146 Ų146109.1 Ų109.157%0.57364%0.643SS**SBendtrans-79114.5169.4-62.7-84.3000109.5P173 T180P173-Y178 HydrophobicContact CG-CE1 4.08Å; P173-Y178 HydrophobicContact CG-CE2 4.44Å; P173-Y178 WeakPolarHBondContact O-CE2 3.31Å; Y178-T180 PolarHBondContact O-N 3.44Å; Y178-T180 VanDerWaalsContact O-N 3.15Å
179N81.2Confident80Confident165 Ų165109.6 Ų109.688%0.88264%0.642SS**  trans-65.6113.7168.7-72.7-27.6000108.6A177A177-N179 PolarHBondContact O-N 2.77Å
180T81.3Confident81.4Confident133 Ų133108.9 Ų108.982%0.81664%0.636SS**PPolyproline II helixtrans-76.8135.2170.349.10000109.3Y178Y178-T180 PolarHBondContact O-N 3.44Å; Y178-T180 VanDerWaalsContact O-N 3.15Å
181T85.2Confident82.7Confident92 Ų92109.3 Ų109.356%0.56463%0.632SS**PPolyproline II helixtrans-65.6138.3171.3500000109.7L183T181-L183 PolarHBondContact O-N 3.15Å
182D85.2Confident83.6Confident97 Ų97109.2 Ų109.252%0.51963%0.628SS.*PPolyproline II helixtrans-56131.8175.4-169.68.6000110.2N184 L185D182-N184 PolarHBondContact O-N 2.93Å; D182-N184 VanDerWaalsContact O-N 3.16Å; D182-N184 PolarHBondContact OD1-ND2 3.33Å; D182-N184 PolarHBondContact OD2-ND2 3.34Å; D182-N184 VanDerWaalsContact OD2-ND2 3.08Å; D182-L185 WeakPolarHBondContact O-CB 3.19Å; D182-L185 PolarHBondContact O-N 3.48Å; D182-L185 VanDerWaalsContact O-N 3.14Å
183L85.5Confident84.1Confident82 Ų82114 Ų11443%0.42964%0.636SS.*G310 helixtrans-58.9-30.8-176.5-98.775.8000111.8T181 L185 Y186 R187T181-L183 PolarHBondContact O-N 3.15Å; L183-L185 PolarHBondContact O-N 2.99Å; L183-L185 VanDerWaalsContact O-N 3.09Å; L183-Y186 PolarHBondContact O-N 3.13Å; L183-R187 WeakPolarHBondContact O-CB 3.49Å; L183-R187 PolarHBondContact O-N 2.67Å
184N87.9Confident84.2Confident68 Ų68115.2 Ų115.236%0.36465%0.646SS.*G310 helixtrans-65.5-11.1-177.9-57.3-50.6000113.6D182 A189D182-N184 PolarHBondContact O-N 2.93Å; D182-N184 VanDerWaalsContact O-N 3.16Å; D182-N184 PolarHBondContact OD1-ND2 3.33Å; D182-N184 PolarHBondContact OD2-ND2 3.34Å; D182-N184 VanDerWaalsContact OD2-ND2 3.08Å; N184-A189 HydrophobicContact CB-CB 4.15Å; N184-A189 WeakPolarHBondContact OD1-CA 3.37Å; N184-A189 WeakPolarHBondContact OD1-CB 3.48Å
185L85.3Confident84.5Confident135 Ų135120.3 Ų120.371%0.70767%0.667SS**G310 helixtrans-75.7-28.9177.3-69174.3000113.1D182 L183D182-L185 WeakPolarHBondContact O-CB 3.19Å; D182-L185 PolarHBondContact O-N 3.48Å; D182-L185 VanDerWaalsContact O-N 3.14Å; L183-L185 PolarHBondContact O-N 2.99Å; L183-L185 VanDerWaalsContact O-N 3.09Å
186Y87.1Confident84.8Confident155 Ų155120.2 Ų120.261%0.60866%0.655SS**THydrogen-bonded Turntrans-130-7.9-175.962.2-93.1000113.6L183L183-Y186 PolarHBondContact O-N 3.13Å
187R89.4Confident84.8Confident163 Ų163119.2 Ų119.262%0.61565%0.646SS**SBendtrans-118.3148.4173.9-173.8176.3-111.9165.6-2.9109.2L183 A189L183-R187 WeakPolarHBondContact O-CB 3.49Å; L183-R187 PolarHBondContact O-N 2.67Å; R187-A189 PolarHBondContact O-N 2.96Å
188E89.2Confident84.3Confident187 Ų187127.4 Ų127.487%0.87466%0.664SS**PPolyproline II helixtrans-53.4123.2169.4-68.9-178.8173.400110.4
189A87.2Confident84.1Confident61 Ų61127.7 Ų127.750%0.50468%0.675SS.*PPolyproline II helixtrans-69.2132.8-179.600000110.1N184 R187N184-A189 HydrophobicContact CB-CB 4.15Å; N184-A189 WeakPolarHBondContact OD1-CA 3.37Å; N184-A189 WeakPolarHBondContact OD1-CB 3.48Å; R187-A189 PolarHBondContact O-N 2.96Å
190A88Confident83.7Confident74 Ų74128.1 Ų128.161%0.61267%0.672SS**PPolyproline II helixtrans-62.8144173.600000110.4K192A190-K192 PolarHBondContact O-N 2.71Å
191P88.2Confident83.5Confident90 Ų90128.6 Ų128.658%0.58467%0.669SS**PPolyproline II helixtrans-58.3128175.822.5-31.8000110.3Y193P191-Y193 HydrophobicContact CB-CE1 4.45Å; P191-Y193 HydrophobicContact CB-CE2 4.02Å; P191-Y193 HydrophobicContact CG-CE2 3.89Å; P191-Y193 WeakPolarHBondContact CG-OH 3.11Å; P191-Y193 WeakPolarHBondContact O-CE2 3.37Å
192K86.7Confident83.1Confident183 Ų183130.7 Ų130.780%0.79668%0.684SS**  trans-92.4114176.8-65-177.5-178.1-1800109.1A190A190-K192 PolarHBondContact O-N 2.71Å
193Y84Confident82.7Confident207 Ų207131.3 Ų131.381%0.81269%0.691SS**  trans-93.9133.5174.5-54.1-80.4000109.4P191P191-Y193 HydrophobicContact CB-CE1 4.45Å; P191-Y193 HydrophobicContact CB-CE2 4.02Å; P191-Y193 HydrophobicContact CG-CE2 3.89Å; P191-Y193 WeakPolarHBondContact CG-OH 3.11Å; P191-Y193 WeakPolarHBondContact O-CE2 3.37Å
194S81.2Confident82.5Confident87 Ų87131.6 Ų131.661%0.60869%0.693SS**  trans-119.2137.1166.2-171.50000108.4T196S194-T196 PolarHBondContact OG-N 2.63Å; S194-T196 PolarHBondContact OG-OG1 3.07Å
195V83.2Confident82Confident157 Ų157134.6 Ų134.695%0.95271%0.714SS**SBendtrans-77.6-14175-167.30000111
196T84.2Confident81.7Confident102 Ų102132.3 Ų132.363%0.62671%0.706SS**SBendtrans-80.3134.9179.1630000111.4S194 R198S194-T196 PolarHBondContact OG-N 2.63Å; S194-T196 PolarHBondContact OG-OG1 3.07Å; T196-R198 PolarHBondContact O-N 3.31Å
197G76.6Confident81.4Confident60 Ų60136.8 Ų136.862%0.61972%0.722SS**  trans-54.7121.8173.300000111.9N199G197-N199 VanDerWaalsContact C-N 3.29Å; G197-N199 PolarHBondContact O-N 3.49Å
198R71.8Confident81.1Confident232 Ų232135.5 Ų135.588%0.87572%0.721SS**  trans-81.677.8178.9-157-177.9-125.7-173.22.6108.8T196 Q200T196-R198 PolarHBondContact O-N 3.31Å; R198-Q200 PolarHBondContact O-N 2.79Å
199N77Confident80.9Confident152 Ų152129.5 Ų129.581%0.81370%0.698SS**  trans-75.915.2-176.3-64.8-22.9000114.3G197 L201G197-N199 VanDerWaalsContact C-N 3.29Å; G197-N199 PolarHBondContact O-N 3.49Å; N199-L201 PolarHBondContact O-N 2.9Å
200Q73.8Confident80.9Confident173 Ų173128.6 Ų128.681%0.80869%0.694SS**  trans-81.2104.3173.5-66.5-1700.400108.2R198R198-Q200 PolarHBondContact O-N 2.79Å
201L76.8Confident80.7Confident144 Ų144131.3 Ų131.375%0.75471%0.706SS**  trans-55.7134.8166.3-68.5162000107.7N199 T203N199-L201 PolarHBondContact O-N 2.9Å; L201-T203 VanDerWaalsContact C-N 3.29Å; L201-T203 PolarHBondContact O-N 3.23Å; L201-T203 PolarHBondContact O-OG1 2.89Å; L201-T203 VanDerWaalsContact O-OG1 3.05Å
202P77.1Confident80.4Confident135 Ų135130 Ų13088%0.87771%0.708SS**  trans-57.199173.921.3-29.1000107.9
203T76.9Confident80.3Confident110 Ų110123.7 Ų123.768%0.67569%0.691SS**  trans-88.3124.1-179.9-57.40000105.7L201 T205L201-T203 VanDerWaalsContact C-N 3.29Å; L201-T203 PolarHBondContact O-N 3.23Å; L201-T203 PolarHBondContact O-OG1 2.89Å; L201-T203 VanDerWaalsContact O-OG1 3.05Å; T203-T205 PolarHBondContact O-N 3.21Å
204D80.2Confident80.3Confident88 Ų88120.3 Ų120.347%0.47168%0.677SS.*  trans-63.1101174.6-175.2-2.5000108.9T206 K208D204-T206 VanDerWaalsContact CG-OG1 3.26Å; D204-T206 PolarHBondContact O-N 2.98Å; D204-T206 VanDerWaalsContact OD1-CB 3.22Å; D204-T206 WeakPolarHBondContact OD1-CB 3.35Å; D204-T206 WeakPolarHBondContact OD1-CG2 3.43Å; D204-T206 PolarHBondContact OD1-N 3.41Å; D204-T206 PolarHBondContact OD1-OG1 3.26Å; D204-T206 PolarHBondContact OD2-OG1 2.93Å; D204-K208 WeakPolarHBondContact OD2-CE 3.41Å; D204-K208 IonicContact OD2-NZ 2.67Å; D204-K208 PolarHBondContact OD2-NZ 3.32Å
205T77.1Confident80.3Confident132 Ų132122 Ų12281%0.8167%0.671SS**  trans-81.92.6179.355.30000112.3T203 R207T203-T205 PolarHBondContact O-N 3.21Å; T205-R207 PolarHBondContact O-N 3.46Å
206T80.4Confident79.9Confident87 Ų87119.2 Ų119.253%0.53466%0.656SS.*  trans-63.7129176.364.40000109.4D204 K208D204-T206 VanDerWaalsContact CG-OG1 3.26Å; D204-T206 PolarHBondContact O-N 2.98Å; D204-T206 VanDerWaalsContact OD1-CB 3.22Å; D204-T206 WeakPolarHBondContact OD1-CB 3.35Å; D204-T206 WeakPolarHBondContact OD1-CG2 3.43Å; D204-T206 PolarHBondContact OD1-N 3.41Å; D204-T206 PolarHBondContact OD1-OG1 3.26Å; D204-T206 PolarHBondContact OD2-OG1 2.93Å; T206-K208 VanDerWaalsContact C-N 3.31Å; T206-K208 PolarHBondContact O-N 2.85Å
207R80.1Confident79.5Confident249 Ų249120.4 Ų120.494%0.9466%0.655SS**  trans-71.492.4171.4-70.5-174.7176.9-153.9-0.5107.9T205 P209T205-R207 PolarHBondContact O-N 3.46Å; R207-P209 WeakPolarHBondContact O-CD 3.22Å
208K83.4Confident79.3Confident136 Ų136125.3 Ų125.359%0.59166%0.655SS**PPolyproline II helixtrans-72.8120.5174.2-63.9178.3-173176.90108.3D204 T206D204-K208 WeakPolarHBondContact OD2-CE 3.41Å; D204-K208 IonicContact OD2-NZ 2.67Å; D204-K208 PolarHBondContact OD2-NZ 3.32Å; T206-K208 VanDerWaalsContact C-N 3.31Å; T206-K208 PolarHBondContact O-N 2.85Å
209P85.4Confident79.3Confident61 Ų61117.1 Ų117.140%0.39663%0.631SS.*PPolyproline II helixtrans-60.1151.5172.322.5-27.5000109.7R207 A213 Y214R207-P209 WeakPolarHBondContact O-CD 3.22Å; P209-A213 HydrophobicContact CB-CB 3.67Å; P209-Y214 HydrophobicContact CB-CE2 4.46Å; P209-Y214 HydrophobicContact CG-CD1 4.4Å; P209-Y214 HydrophobicContact CG-CD2 4.45Å; P209-Y214 HydrophobicContact CG-CE1 3.85Å; P209-Y214 HydrophobicContact CG-CE2 3.91Å; P209-Y214 WeakPolarHBondContact O-CE2 3.43Å
210G86.1Confident79Confident42 Ų42117 Ų11743%0.43362%0.62SS.*PPolyproline II helixtrans-61.1161.617300000111.4G212 A213 Y214G210-G212 PolarHBondContact O-N 3.46Å; G210-A213 PolarHBondContact O-N 3.25Å; G210-Y214 WeakPolarHBondContact O-CD2 3.43Å
211P84.2Confident79Confident130 Ų130115.1 Ų115.184%0.84462%0.62SS**G310 helixtrans-56.5-29.6-174.219.4-30.8000113.8
212G83Confident79.1Confident62 Ų62115.1 Ų115.164%0.63962%0.62SS**G310 helixtrans-83.5-3.4176.900000116G210G210-G212 PolarHBondContact O-N 3.46Å
213A84.3Confident79Confident52 Ų52111.6 Ų111.643%0.4360%0.599SS.*G310 helixtrans-96.2-0.9179.700000113.1P209 G210 Y215P209-A213 HydrophobicContact CB-CB 3.67Å; G210-A213 PolarHBondContact O-N 3.25Å; A213-Y215 WeakPolarHBondContact O-CD2 3.46Å
214Y83.8Confident79Confident135 Ų135115.6 Ų115.653%0.52961%0.61SS.*  trans-83.8114.1172-66.3-88.2000109.9P209 G210 P216P209-Y214 HydrophobicContact CB-CE2 4.46Å; P209-Y214 HydrophobicContact CG-CD1 4.4Å; P209-Y214 HydrophobicContact CG-CD2 4.45Å; P209-Y214 HydrophobicContact CG-CE1 3.85Å; P209-Y214 HydrophobicContact CG-CE2 3.91Å; P209-Y214 WeakPolarHBondContact O-CE2 3.43Å; G210-Y214 WeakPolarHBondContact O-CD2 3.43Å; Y214-P216 WeakPolarHBondContact O-CD 3.43Å
215Y80.3Confident78.8Confident123 Ų123115.1 Ų115.148%0.48261%0.614SS.*  trans-111.884.9174.3-62.7-76.4000109.4A213 E217 R218A213-Y215 WeakPolarHBondContact O-CD2 3.46Å; Y215-E217 VanDerWaalsContact CD1-OE1 3.3Å; Y215-E217 WeakPolarHBondContact CD1-OE1 3.49Å; Y215-E217 PolarHBondContact O-N 3.02Å; Y215-R218 PolarHBondContact O-N 3.14Å
216P75Confident78.7Confident98 Ų98112.4 Ų112.464%0.63660%0.604SS**G310 helixtrans-61.1-27.4-17725.8-34.3000112.5Y214 R218 V219Y214-P216 WeakPolarHBondContact O-CD 3.43Å; P216-R218 PolarHBondContact O-N 2.73Å; P216-V219 WeakPolarHBondContact O-CG2 3.32Å; P216-V219 PolarHBondContact O-N 3.25Å
217E75.5Confident78.6Confident128 Ų128112.3 Ų112.360%0.59861%0.606SS**G310 helixtrans-66.8-14174.465.9-78.3172.800114Y215Y215-E217 VanDerWaalsContact CD1-OE1 3.3Å; Y215-E217 WeakPolarHBondContact CD1-OE1 3.49Å; Y215-E217 PolarHBondContact O-N 3.02Å
218R71.9Confident78.6Confident162 Ų162109.1 Ų109.161%0.61160%0.601SS**G310 helixtrans-104.624.5179.6-58.6-175.2-178.3-175-0.7113.3Y215 P216 Y220Y215-R218 PolarHBondContact O-N 3.14Å; P216-R218 PolarHBondContact O-N 2.73Å; R218-Y220 HydrophobicContact CB-CE2 4.43Å; R218-Y220 WeakPolarHBondContact O-CD2 3.23Å; R218-Y220 PolarHBondContact O-N 3.45Å
219V72.7Confident78.4Confident61 Ų61111.7 Ų111.737%0.3761%0.608SS.*  trans-90.196.4176.7-177.90000110P216 N222 S223P216-V219 WeakPolarHBondContact O-CG2 3.32Å; P216-V219 PolarHBondContact O-N 3.25Å; V219-N222 HydrophobicContact CG1-CB 4.44Å; V219-S223 PolarHBondContact O-OG 3.21Å
220Y70.8Confident78Confident149 Ų149114 Ų11458%0.58463%0.626SS**  trans-95.6-12.7174.2-57.2-75.7000113.4R218R218-Y220 HydrophobicContact CB-CE2 4.43Å; R218-Y220 WeakPolarHBondContact O-CD2 3.23Å; R218-Y220 PolarHBondContact O-N 3.45Å
221V74.8Confident77.6Confident133 Ų133121.7 Ų121.781%0.80665%0.648SS**SBendtrans-73.5-36.7-172-169.30000111.6
222N78Confident76.9Confident144 Ų144118.1 Ų118.177%0.7764%0.635SS**SBendtrans-117.2-9.1-171-54.1-4.9000113.3V219V219-N222 HydrophobicContact CG1-CB 4.44Å
223S74.4Confident76.4Confident62 Ų62122 Ų12243%0.43464%0.639SS.*SBendtrans-140.9139.3-170.434.10000110.5V219V219-S223 PolarHBondContact O-OG 3.21Å
224Q78.1Confident75.5Confident194 Ų194131 Ų13191%0.90766%0.662SS**PPolyproline II helixtrans-64.7141.7171.4-69.3-179-8.400109.7A226Q224-A226 PolarHBondContact O-N 3.44Å
225S74.7Confident74.9Confident78 Ų78130 Ų13055%0.54566%0.662SS.*PPolyproline II helixtrans-61.5130.4178.1-1750000110.2
226A76.6Confident74.7Confident74 Ų74127.9 Ų127.961%0.61267%0.665SS**PPolyproline II helixtrans-63.9140.9174.700000110.1Q224 Q228Q224-A226 PolarHBondContact O-N 3.44Å; A226-Q228 PolarHBondContact O-N 2.9Å
227P78.3Confident74.4Confident86 Ų86132.2 Ų132.256%0.55868%0.677SS**PPolyproline II helixtrans-56.7125.8176.722.5-34.2000111.1Y229P227-Y229 HydrophobicContact CB-CE1 3.9Å; P227-Y229 HydrophobicContact CB-CE2 4.38Å; P227-Y229 HydrophobicContact CG-CE1 4.25Å; P227-Y229 HydrophobicContact CG-CE2 4.21Å; P227-Y229 WeakPolarHBondContact CG-OH 3.37Å; P227-Y229 VanDerWaalsContact O-CE2 3.31Å; P227-Y229 WeakPolarHBondContact O-CE2 3.12Å
228Q78.3Confident74Confident182 Ų182136.1 Ų136.185%0.8569%0.688SS**PPolyproline II helixtrans-88.1125.7171.7-79.2-177.2-3.500109.8A226A226-Q228 PolarHBondContact O-N 2.9Å
229Y79.2Confident73.5Confident189 Ų189134.4 Ų134.474%0.74169%0.685SS**  trans-109.8124.9174.2-39.7-80.9000107.9P227P227-Y229 HydrophobicContact CB-CE1 3.9Å; P227-Y229 HydrophobicContact CB-CE2 4.38Å; P227-Y229 HydrophobicContact CG-CE1 4.25Å; P227-Y229 HydrophobicContact CG-CE2 4.21Å; P227-Y229 WeakPolarHBondContact CG-OH 3.37Å; P227-Y229 VanDerWaalsContact O-CE2 3.31Å; P227-Y229 WeakPolarHBondContact O-CE2 3.12Å
230S78.8Confident73.2Confident110 Ų110134.1 Ų134.177%0.76969%0.694SS**  trans-109.8132.2165.3710000108.8G232S230-G232 PolarHBondContact O-N 3.04Å
231F77.2Confident73.1Confident204 Ų204135.2 Ų135.290%0.89570%0.704SS**  trans-7875.1162.2-62.1-80.9000106.7I233F231-I233 PolarHBondContact O-N 3.43Å
232G68.9Low72.8Confident54 Ų54138.2 Ų138.256%0.55771%0.707SS**  trans-57.4115.8171.300000108.1S230 R234S230-G232 PolarHBondContact O-N 3.04Å; G232-R234 VanDerWaalsContact C-N 3.3Å; G232-R234 PolarHBondContact O-N 3.44Å
233I71.8Confident72.5Confident143 Ų143136.5 Ų136.573%0.73370%0.697SS**  trans-64.999.8168.4-59.5172.8000105.4F231 H235F231-I233 PolarHBondContact O-N 3.43Å; I233-H235 PolarHBondContact O-N 3.06Å
234R66.6Low72.6Confident242 Ų242137 Ų13791%0.91370%0.697SS**  trans-69.799.7172.8-70.9-173.7168.8-156.8-3.4107.4G232G232-R234 VanDerWaalsContact C-N 3.3Å; G232-R234 PolarHBondContact O-N 3.44Å
235H71.3Confident72.5Confident114 Ų114134.1 Ų134.153%0.52869%0.688SS.*  trans-60.6142.7166.5-65-31.7000109.1I233 K239I233-H235 PolarHBondContact O-N 3.06Å; H235-K239 HydrophobicContact CB-CB 4.44Å; H235-K239 HydrophobicContact CB-CD 3.87Å; H235-K239 PolarHBondContact CE1-NZ 3.29Å; H235-K239 PolarHBondContact NE2-NZ 3.39Å
236S76.7Confident72.4Confident78 Ų78133.9 Ų133.955%0.54569%0.69SS.*  trans-59.8146.8170.851.60000109.3Y238 K239S236-Y238 PolarHBondContact O-N 3.15Å; S236-K239 WeakPolarHBondContact O-CB 3.46Å; S236-K239 PolarHBondContact O-N 3.28Å
237Q67Low72.2Confident190 Ų190135.1 Ų135.189%0.88869%0.687SS**THydrogen-bonded Turntrans-60-12.5175.1-72.4178.5-15.800113.3
238Y68.1Low71.8Confident210 Ų210137 Ų13782%0.82469%0.692SS**THydrogen-bonded Turntrans-96.38.7179.3-53.7-69.3000113.5S236 G240S236-Y238 PolarHBondContact O-N 3.15Å; Y238-G240 PolarHBondContact O-N 3.48Å
239K61.4Low71.2Confident126 Ų126135.2 Ų135.255%0.54869%0.688SS.*  trans-73.596.5172.2-154.6-175-175.5-163.40107.3H235 S236 E241H235-K239 HydrophobicContact CB-CB 4.44Å; H235-K239 HydrophobicContact CB-CD 3.87Å; H235-K239 PolarHBondContact CE1-NZ 3.29Å; H235-K239 PolarHBondContact NE2-NZ 3.39Å; S236-K239 WeakPolarHBondContact O-CB 3.46Å; S236-K239 PolarHBondContact O-N 3.28Å; K239-E241 PolarHBondContact O-N 2.87Å
240G66.2Low69.9Low55 Ų55138 Ų13857%0.56771%0.708SS**  trans-55.1130174.500000109.9Y238 F242Y238-G240 PolarHBondContact O-N 3.48Å; G240-F242 PolarHBondContact O-N 3.26Å; G240-F242 VanDerWaalsContact O-N 3.15Å
241E67.9Low69.5Low171 Ų171139.4 Ų139.480%0.79971%0.705SS**  trans-65.6110.4169.5-61.4-172.3166.900106.9K239 I243K239-E241 PolarHBondContact O-N 2.87Å; E241-I243 HydrophobicContact CB-CG1 4.27Å; E241-I243 PolarHBondContact O-N 3.22Å
242F69.4Low69.1Low196 Ų196136 Ų13686%0.8670%0.695SS**  trans-73.185.4166.3-89.1-87.2000106.6G240 T244G240-F242 PolarHBondContact O-N 3.26Å; G240-F242 VanDerWaalsContact O-N 3.15Å; F242-T244 PolarHBondContact O-N 3.12Å
243I71.4Confident69.1Low109 Ų109140.6 Ų140.656%0.55970%0.702SS**  trans-70.9112.8165.8-59.8167.1000104.9E241 D247 L248E241-I243 HydrophobicContact CB-CG1 4.27Å; E241-I243 PolarHBondContact O-N 3.22Å; I243-D247 HydrophobicContact CG2-CB 4.31Å; I243-L248 HydrophobicContact CG2-CG 4.19Å
244T76.9Confident68.9Low73 Ų73140.4 Ų140.445%0.44870%0.701SS.*  trans-89.9154.7173.560.10000108.8F242 A246 D247F242-T244 PolarHBondContact O-N 3.12Å; T244-A246 PolarHBondContact O-N 3.03Å; T244-D247 PolarHBondContact N-OD2 3.49Å; T244-D247 WeakPolarHBondContact O-CB 3.49Å; T244-D247 PolarHBondContact O-N 2.82Å; T244-D247 PolarHBondContact OG1-OD2 3.1Å
245D75.3Confident69Low133 Ų133134.1 Ų134.171%0.71169%0.687SS**Hα-helixtrans-55.9-25.7-178.6-62.8-32.4000112.6D247 L248D245-D247 PolarHBondContact O-N 3.33Å; D245-L248 PolarHBondContact O-N 3.33Å
246A72.8Confident68.9Low72 Ų72135.4 Ų135.460%0.59570%0.698SS**Hα-helixtrans-64.7-22.317500000114.2T244T244-A246 PolarHBondContact O-N 3.03Å
247D72Confident68.3Low101 Ų101139.5 Ų139.554%0.5471%0.709SS.*Hα-helixtrans-86.1-17.1180-54.7-51.1000112.2I243 T244 D245I243-D247 HydrophobicContact CG2-CB 4.31Å; T244-D247 PolarHBondContact N-OD2 3.49Å; T244-D247 WeakPolarHBondContact O-CB 3.49Å; T244-D247 PolarHBondContact O-N 2.82Å; T244-D247 PolarHBondContact OG1-OD2 3.1Å; D245-D247 PolarHBondContact O-N 3.33Å
248L71Confident68.4Low126 Ų126135.6 Ų135.666%0.6670%0.695SS**Hα-helixtrans-84.3-13.2178.5-77.2166.9000113.6I243 D245I243-L248 HydrophobicContact CG2-CG 4.19Å; D245-L248 PolarHBondContact O-N 3.33Å
249D65.1Low68.5Low144 Ų144129.4 Ų129.477%0.7768%0.684SS**  trans-101.120.5-171.5-75.6-13.7000114.7
250Q52.3Low69.1Low247 Ų247129.7 Ų129.7100%1.15470%0.697SS**  trans-103.50174.1-72.4-166.46.300114.4

Retrieved 250 of 250 residues in 259.1 ms (Link to these results)