A0A096MPT2_PAPAN Loading...

Tectonic family member 1

AlphaFold DB , UniProt , Accession A0A096MPT2, Species PAPAN (Papio anubis, Olive baboon), Gene TCTN1, Length 592 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
1M39.1Very low33.2Very low247 Ų247157.5 Ų157.5100%1.21785%0.846SS**  0118.70-80.4163.1162.700108.1
2R31.1Very low32.6Very low212 Ų212154.2 Ų154.280%0.883%0.834SS**PPolyproline II helixtrans-65.6151.4-179.6-84.3174.7166.8162.3-5.7111.8
3P38.2Very low32.4Very low126 Ų126154.2 Ų154.282%0.81883%0.833SS**PPolyproline II helixtrans-102.3122.4136.220.8-4.1000109.8
4R36.4Very low31.9Very low218 Ų218153.8 Ų153.882%0.82383%0.828SS**PPolyproline II helixtrans-77.5140.7157.9-71.5171.7163.9169.2-6.1105.9
5G32.8Very low31.7Very low75 Ų75150.5 Ų150.577%0.77382%0.822SS**  cis122.684.329.100000107.6
6L34.1Very low31.3Very low174 Ų174148.8 Ų148.891%0.91182%0.823SS**PPolyproline II helixtrans-87.1133.1165.2-91.8137.3000108.2
7P35Very low30.8Very low117 Ų117155.1 Ų155.176%0.7683%0.831SS**PPolyproline II helixtrans-93.3139.316733.4-26.3000111
8P33.9Very low30.5Very low117 Ų117152.2 Ų152.276%0.7683%0.832SS**PPolyproline II helixtrans-88.3143.2164.334.9-27.8000109.3
9L28.6Very low30.1Very low182 Ų182149.8 Ų149.895%0.95383%0.828SS**  trans-111.9112.5169.1-117.4152.6000109
10L26.2Very low29.7Very low143 Ų143149.8 Ų149.875%0.74983%0.832SS**  trans-79.9140.4-176.2-133.8112.6000110.3
11V29.5Very low29.5Very low122 Ų122148 Ų14874%0.73983%0.829SS**  trans-64.5130.7165.41720000109.7
12V26.1Very low28.8Very low117 Ų117140.5 Ų140.571%0.70981%0.807SS**  trans-133.2107.3160.9178.80000108.9L14V12-L14 HydrophobicContact CG1-CD1 4.12Å
13L29.9Very low28.4Very low155 Ų155139.6 Ų139.681%0.81281%0.812SS**  trans-69.9134.8156.4-86.3143.6000108.7
14L26.4Very low27.7Very low148 Ų148140.1 Ų140.178%0.77581%0.813SS**  trans-158108.8151.2-105.3138.8000110.9V12V12-L14 HydrophobicContact CG1-CD1 4.12Å
15S28.3Very low27Very low104 Ų104139.3 Ų139.373%0.72782%0.818SS**  trans-53.5137.7152.849.80000112.1
16C24.7Very low26.5Very low124 Ų124139.2 Ų139.284%0.83881%0.811SS**  trans-149.6110.3150.1-101.80000110.1
17W23.9Very low26Very low255 Ų255137.4 Ų137.497%0.96681%0.807SS**  trans-62.6142.4155.4-72.2-17000110.1
18A24.5Very low25.6Very low103 Ų103137.2 Ų137.285%0.85181%0.805SS**  trans-145.5110.1152.600000108.9
19S23.5Very low25.2Very low107 Ų107136.2 Ų136.275%0.74881%0.807SS**  trans-67.4141.6170.9-41.70000110.7
20V22.6Very low25Very low149 Ų149133.6 Ų133.690%0.90380%0.799SS**  trans-127.4117.3150.4177.60000107.4
21S24.8Very low24.8Very low112 Ų112133.3 Ų133.378%0.78380%0.803SS**  trans-95.3137.6173.1-53.60000109.5
22A24.2Very low24.7Very low90 Ų90133.8 Ų133.874%0.74481%0.806SS**  trans-162.291.6150.500000106.1
23Q24.1Very low24.6Very low193 Ų193137.7 Ų137.790%0.90282%0.817SS**  89.4120.194.7-93-171.7-25.400113.3
24T23.3Very low24.3Very low138 Ų138133.4 Ų133.485%0.84781%0.81SS**  trans-61.7138177.7-32.40000112.4
25E21.9Very low24.1Very low200 Ų200133.8 Ų133.894%0.93581%0.812SS**  trans-141114.9148-150.3168.1-15700108.8
26A21.8Very low23.8Very low74 Ų74134.9 Ų134.961%0.61281%0.809SS**  trans-99.2134.5166.100000105.9
27T22.4Very low23.8Very low135 Ų135133.5 Ų133.583%0.82880%0.802SS**  158.9175.283.8-9.50000105.5
28P28.2Very low23.8Very low113 Ų113127.6 Ų127.673%0.73479%0.794SS**  cis-129.8-179-17.435.3-15.1000113.9
29A25Very low23.8Very low96 Ų96130.3 Ų130.379%0.79379%0.789SS**  trans-56.9145171.200000114.1
30V23.3Very low23.8Very low128 Ų128130.3 Ų130.378%0.77680%0.795SS**  trans-129.1113.3159.8176.50000108.3
31T23.6Very low23.8Very low136 Ų136128.4 Ų128.483%0.83478%0.784SS**  trans-81.3131161.732.60000109.6
32T27.1Very low23.8Very low132 Ų132131.2 Ų131.281%0.8179%0.789SS**  trans-146.1116.5151.439.50000109.6
33E24.2Very low23.8Very low200 Ų200130.4 Ų130.494%0.93578%0.783SS**  trans-58.7163.4158.6-65-174132.200111.8
34G22.5Very low23.8Very low65 Ų65127.7 Ų127.767%0.6778%0.779SS**  trans149.181.8148.300000117.8
35L22.8Very low23.9Very low156 Ų156130.5 Ų130.582%0.81778%0.78SS**  64.4133.2125.3-75.8151.2000122.8
36N22.5Very low24.1Very low126 Ų126123.8 Ų123.867%0.67476%0.764SS**  trans97.3106.2140.8-67.4-11000118.3
37S23.4Very low24.3Very low96 Ų96126.6 Ų126.667%0.67178%0.777SS**  82.7133.989.7-590000110.2
38T23.7Very low24.4Very low130 Ų130129.7 Ų129.780%0.79878%0.779SS**  cis-168.7147.140.5-22.60000109.6
39E25.3Very low24.3Very low160 Ų160130.4 Ų130.475%0.74878%0.783SS**  trans-22.6143.6154.4-171.7169.9-16800119.3
40A23.1Very low24.4Very low107 Ų107131.4 Ų131.488%0.88478%0.784SS**  trans-153104.1141.100000110.4
41T23.3Very low24.4Very low109 Ų109131.8 Ų131.867%0.66979%0.788SS**  trans-86.8139.1165.831.90000110.3
42L24.3Very low24.6Very low172 Ų172136.8 Ų136.890%0.90179%0.791SS**  trans166.8145.4144.9-119.377.5000107.6
43A24.6Very low24.8Very low73 Ų73135.5 Ų135.560%0.60379%0.785SS**  cis-160.7149.52.700000108.5
44T24Very low25.1Very low135 Ų135132.2 Ų132.283%0.82878%0.781SS**  trans-66.2136.5167.7-53.90000111.8
45F25.3Very low25.4Very low198 Ų198132.6 Ų132.687%0.86879%0.785SS**  trans-128.4127157.4-86.4-80.3000109.9
46G25.8Very low25.7Very low58 Ų58131.5 Ų131.560%0.59879%0.785SS**PPolyproline II helixtrans-76.4168.4-178.500000114.3
47P26.2Very low26Very low134 Ų134131.5 Ų131.587%0.8779%0.792SS**PPolyproline II helixtrans-88.7133.9-170.733-30.7000113
48F24.8Very low26.3Very low200 Ų200138.8 Ų138.888%0.87781%0.805SS**PPolyproline II helixtrans-82.2143.1165.1-80.4-87.5000111
49P26.2Very low26.5Very low127 Ų127136.3 Ų136.383%0.82580%0.798SS**PPolyproline II helixtrans-82118.5-179.930.4-29.9000111.4
50S25.6Very low26.6Very low117 Ų117134.9 Ų134.982%0.81880%0.802SS**PPolyproline II helixtrans-97.8122.9168.5-174.10000110.3
51T24.6Very low26.8Very low137 Ų137133.3 Ų133.384%0.8480%0.796SS**PPolyproline II helixtrans-59.6131.5174.838.70000112.6
52R28.1Very low27Very low240 Ų240133 Ų13391%0.90680%0.799SS**PPolyproline II helixtrans-97.4133177.4-166-176-159-173.35.7110.3
53P30.8Very low27.5Very low106 Ų106130.2 Ų130.269%0.68879%0.794SS**PPolyproline II helixtrans-71.3159169.4-11.626.7000112.1
54P30.3Very low28.1Very low130 Ų130131.2 Ų131.284%0.84480%0.796SS**PPolyproline II helixtrans-65.1133.8-172.1-13.728000112
55G28Very low28.5Very low74 Ų74127.6 Ų127.676%0.76379%0.786SS**PPolyproline II helixtrans-71.3137.4-17900000113.2
56T30.5Very low29Very low133 Ų133124.5 Ų124.582%0.81679%0.786SS**PPolyproline II helixtrans-61.7146.6160.414.30000110.6R58T56-R58 PolarHBondContact O-N 3.28Å
57P28.6Very low30Very low126 Ų126125 Ų12582%0.81877%0.77SS**PPolyproline II helixtrans-63.2130.3-177.4-16.329.3000111A59P57-A59 PolarHBondContact O-N 3.42Å
58R28.8Very low30.8Very low248 Ų248122.2 Ų122.294%0.93675%0.751SS**PPolyproline II helixtrans-69.8124175.8-155.7178.3-162.7-164.62.5108.9T56T56-R58 PolarHBondContact O-N 3.28Å
59A29.1Very low31.8Very low79 Ų79118.3 Ų118.365%0.65374%0.744SS**PPolyproline II helixtrans-58.9151.7168.200000110.6P57 G61P57-A59 PolarHBondContact O-N 3.42Å; A59-G61 PolarHBondContact O-N 2.99Å
60P27.8Very low33Very low129 Ų129114.8 Ų114.884%0.83872%0.721SS**PPolyproline II helixtrans-61.1126.3-178.6-1427.8000109.9S62P60-S62 PolarHBondContact O-N 3Å
61G25.8Very low34.5Very low74 Ų74112 Ų11276%0.76370%0.699SS**PPolyproline II helixtrans-65.1130.2177.400000111A59 S63A59-G61 PolarHBondContact O-N 2.99Å; G61-S63 PolarHBondContact O-N 3.08Å
62S28.9Very low36.1Very low104 Ų104110.1 Ų110.173%0.72769%0.688SS**PPolyproline II helixtrans-59.4125.4165.850.50000109.4P60 S64P60-S62 PolarHBondContact O-N 3Å; S62-S64 PolarHBondContact O-N 2.95Å
63S33.3Very low37.9Very low113 Ų113102.9 Ų102.979%0.7967%0.667SS**  trans-86.133.3178.574.40000113.3G61 G65G61-S63 PolarHBondContact O-N 3.08Å; S63-G65 PolarHBondContact O-N 3.06Å
64S37Very low39.7Very low93 Ų9398.5 Ų98.565%0.6564%0.638SS**  trans-74.6108.4163.557.10000107.3S62S62-S64 PolarHBondContact O-N 2.95Å
65G33.8Very low41.6Very low60 Ų6094 Ų9462%0.61961%0.612SS**PPolyproline II helixtrans-52.6155.3169.800000110.9S63 R67S63-G65 PolarHBondContact O-N 3.06Å; G65-R67 PolarHBondContact O-N 2.87Å
66P35.8Very low43.8Very low133 Ų13393.6 Ų93.686%0.86460%0.601SS**PPolyproline II helixtrans-58117.5176.1-15.327.8000108.7
67R46.9Very low46Very low68 Ų6888 Ų8826%0.25757%0.566SS.*PPolyproline II helixtrans-46.4143.3170.3-170.9176.1-178.2170.1-5108.8G65 T69 Y521 K530G65-R67 PolarHBondContact O-N 2.87Å; R67-T69 PolarHBondContact O-N 3.2Å; R67-Y521 WeakPolarHBondContact CD-OH 3.49Å; R67-Y521 PolarHBondContact NE-OH 3.4Å; R67-K530 VanDerWaalsContact NH2-CD 3.3Å
68P42Very low48.6Very low75 Ų7582.6 Ų82.649%0.48753%0.532SS..PPolyproline II helixtrans-49.2120.3176.911.9-25.6000109.9Y521P68-Y521 PolarHBondContact O-OH 2.95Å
69T46.5Very low51Low118 Ų11874.2 Ų74.272%0.72451%0.508SS*.PPolyproline II helixtrans-55.7129.4176.640.30000107.6R67 V71R67-T69 PolarHBondContact O-N 3.2Å; T69-V71 PolarHBondContact O-N 3.23Å; T69-V71 VanDerWaalsContact O-N 3.12Å
70P50.9Low53.6Low54 Ų5471.4 Ų71.435%0.35148%0.483SS..PPolyproline II helixtrans-52126.5174.5-16.725.2000108.4T72 Y521P70-T72 HydrophobicContact CB-CG2 4.23Å; P70-T72 PolarHBondContact O-N 3.15Å; P70-Y521 HydrophobicContact CG-CE1 4.43Å
71V56.3Low56.4Low57 Ų5766.3 Ų66.335%0.34545%0.449SS..  trans-71.2101.1174.6-174.30000106.7T69 A76 L77T69-V71 PolarHBondContact O-N 3.23Å; T69-V71 VanDerWaalsContact O-N 3.12Å; V71-A76 HydrophobicContact CG1-CB 3.77Å; V71-L77 HydrophobicContact CB-CD2 3.71Å; V71-L77 HydrophobicContact CG1-CD2 3.51Å; V71-L77 HydrophobicContact CG1-CG 3.99Å
72T58Low59.1Low98 Ų9864.6 Ų64.660%0.60142%0.422SS*.  trans-100.1-11.9179.956.60000112.7P70 V74P70-T72 HydrophobicContact CB-CG2 4.23Å; P70-T72 PolarHBondContact O-N 3.15Å; T72-V74 PolarHBondContact O-N 3.24Å
73D66.7Low61.6Low89 Ų8960.4 Ų60.448%0.47639%0.393SS..  trans-80.9116.7177.9-170.7-3.4000110.2A75 A76 L77D73-A75 PolarHBondContact O-N 2.64Å; D73-A75 VanDerWaalsContact O-N 3.15Å; D73-A75 PolarHBondContact OD1-N 2.96Å; D73-A76 HydrophobicContact CB-CB 4.18Å; D73-A76 PolarHBondContact O-N 2.91Å; D73-L77 WeakPolarHBondContact O-CG 3.36Å; D73-L77 PolarHBondContact O-N 3.37Å
74V69.6Low63.5Low13 Ų1358.2 Ų58.28%0.07938%0.376CS..G310 helixtrans-55.4-29.8177.4-174.10000111.5T72 V113 V125T72-V74 PolarHBondContact O-N 3.24Å; V74-V113 HydrophobicContact CG1-CB 3.88Å; V74-V113 HydrophobicContact CG1-CG1 3.68Å; V74-V113 WeakPolarHBondContact CG1-O 3.44Å; V74-V125 HydrophobicContact CB-CG2 4.3Å; V74-V125 HydrophobicContact CG1-CB 4.27Å; V74-V125 HydrophobicContact CG1-CG2 3.78Å
75A70Confident65.3Low36 Ų3657.9 Ų57.930%0.29838%0.378SS..G310 helixtrans-75.3-21.3177.600000114.1D73 V125 F140D73-A75 PolarHBondContact O-N 2.64Å; D73-A75 VanDerWaalsContact O-N 3.15Å; D73-A75 PolarHBondContact OD1-N 2.96Å; A75-V125 HydrophobicContact CB-CG2 4.31Å; A75-F140 HydrophobicContact CB-CZ 4.29Å
76A73.6Confident67.6Low65 Ų6559.5 Ų59.554%0.53737%0.37SS..G310 helixtrans-98.8-1-179.600000113.1V71 D73V71-A76 HydrophobicContact CG1-CB 3.77Å; D73-A76 HydrophobicContact CB-CB 4.18Å; D73-A76 PolarHBondContact O-N 2.91Å
77L77.3Confident69.9Low16 Ų1654.7 Ų54.78%0.08434%0.339CS..  trans-90.2121.1-179.4-71.9177.6000111.5V71 D73 V113 N526V71-L77 HydrophobicContact CB-CD2 3.71Å; V71-L77 HydrophobicContact CG1-CD2 3.51Å; V71-L77 HydrophobicContact CG1-CG 3.99Å; D73-L77 WeakPolarHBondContact O-CG 3.36Å; D73-L77 PolarHBondContact O-N 3.37Å; L77-V113 HydrophobicContact CB-CG1 4.13Å; L77-N526 HydrophobicContact CD1-CB 3.95Å; L77-N526 WeakPolarHBondContact CD2-ND2 3.12Å
78C81.5Confident71.6Confident13 Ų1352.6 Ų52.69%0.08833%0.333CS..  trans-139.689.2174.4-167.80000111.9C80 D81 C91 C93 D94C78-C80 PolarHBondContact O-N 3.41Å; C78-D81 HydrophobicContact CB-CB 4.1Å; C78-D81 PolarHBondContact O-N 2.89Å; C78-C91 PolarHBondContact SG-SG 3.35Å; C78-C93 WeakPolarHBondContact CA-SG 3.44Å; C78-C93 HydrophobicContact CB-CB 3.7Å; C78-C93 WeakPolarHBondContact CB-SG 3.41Å; C78-C93 WeakPolarHBondContact SG-CB 3.43Å; C78-C93 PolarHBondContact SG-O 2.61Å; C78-C93 CovalentContact SG-SG 2.04Å; C78-C93 PolarHBondContact SG-SG 2.89Å; C78-D94 PolarHBondContact SG-N 3.01Å; C78-D94 VanDerWaalsContact SG-N 3.4Å
79V80.4Confident73.6Confident71 Ų7153.4 Ų53.443%0.4334%0.337SS..THydrogen-bonded Turntrans-70.5-13.6-176.2-61.40000114.1V110V79-V110 HydrophobicContact CG2-CG2 3.76Å
80C83.2Confident75.4Confident20 Ų2049.4 Ų49.414%0.13531%0.311CS..THydrogen-bonded Turntrans-100-4.2179.559.50000114C78 L82 D88 C91 C93 V110C78-C80 PolarHBondContact O-N 3.41Å; C80-L82 PolarHBondContact O-N 2.75Å; C80-L82 VanDerWaalsContact O-N 3.14Å; C80-D88 WeakPolarHBondContact O-CB 3.35Å; C80-C91 VanDerWaalsContact CA-SG 3.54Å; C80-C91 HydrophobicContact CB-CB 3.78Å; C80-C91 WeakPolarHBondContact CB-SG 3.29Å; C80-C91 PolarHBondContact O-SG 3.09Å; C80-C91 VanDerWaalsContact O-SG 3.38Å; C80-C91 WeakPolarHBondContact SG-CA 3.36Å; C80-C91 WeakPolarHBondContact SG-CB 3.49Å; C80-C91 CovalentContact SG-SG 2.04Å; C80-C91 PolarHBondContact SG-SG 2.86Å; C80-C93 PolarHBondContact SG-SG 2.83Å; C80-V110 HydrophobicContact CB-CG2 3.97Å
81D86Confident77.2Confident23 Ų2346.9 Ų46.912%0.12329%0.294CS..  trans-79.288.7170.1167.117.4000107.7C78 D88 C91 N379C78-D81 HydrophobicContact CB-CB 4.1Å; C78-D81 PolarHBondContact O-N 2.89Å; D81-D88 WeakPolarHBondContact CA-OD2 3.45Å; D81-C91 PolarHBondContact N-SG 3.44Å; D81-C91 VanDerWaalsContact N-SG 3.37Å; D81-N379 WeakPolarHBondContact O-CB 3.49Å; D81-N379 PolarHBondContact O-ND2 2.85Å; D81-N379 PolarHBondContact OD2-ND2 2.86Å
82L83.4Confident78.7Confident38 Ų3844.2 Ų44.220%0.19928%0.278CS..  trans-108.9-12-177.7-58.3-178.6000111.6C80 D88 P375 L376 N379 L386C80-L82 PolarHBondContact O-N 2.75Å; C80-L82 VanDerWaalsContact O-N 3.14Å; L82-D88 WeakPolarHBondContact CA-OD2 3.43Å; L82-D88 PolarHBondContact N-OD2 3.38Å; L82-P375 CarbonylContact O-C 3.57Å; L82-P375 WeakPolarHBondContact O-CA 3.36Å; L82-L376 WeakPolarHBondContact O-CB 3.33Å; L82-L376 VanDerWaalsContact O-CG 3.25Å; L82-L376 WeakPolarHBondContact O-CG 2.98Å; L82-L376 PolarHBondContact O-N 2.83Å; L82-N379 HydrophobicContact CD2-CB 4.5Å; L82-L386 HydrophobicContact CD1-CD1 4.3Å
83S81.1Confident80.1Confident16 Ų1640 Ų4011%0.11225%0.253CS..SBendtrans-106.4115-176.1-66.80000110.8A85 Q86 D88S83-A85 PolarHBondContact O-N 3.37Å; S83-A85 VanDerWaalsContact O-N 3.16Å; S83-Q86 WeakPolarHBondContact CB-O 3.39Å; S83-Q86 PolarHBondContact O-N 3Å; S83-Q86 VanDerWaalsContact O-O 3.08Å; S83-D88 VanDerWaalsContact CB-OD1 3.29Å; S83-D88 WeakPolarHBondContact CB-OD1 3.44Å; S83-D88 WeakPolarHBondContact CB-OD2 3.46Å; S83-D88 PolarHBondContact N-OD2 2.79Å; S83-D88 PolarHBondContact OG-OD1 2.88Å
84P74Confident81.2Confident66 Ų6635.8 Ų35.843%0.42923%0.23SC..THydrogen-bonded Turntrans-62.1122-176.3-2232.2000112.6Q86 L376P84-Q86 PolarHBondContact O-N 3.07Å; P84-L376 HydrophobicContact CG-CD2 4.01Å; P84-L376 HydrophobicContact CG-CG 4.18Å
85A74.8Confident82Confident86 Ų8639.4 Ų39.471%0.71125%0.254SS*.THydrogen-bonded Turntrans57.228.8178.100000113.2S83 D96S83-A85 PolarHBondContact O-N 3.37Å; S83-A85 VanDerWaalsContact O-N 3.16Å; A85-D96 WeakPolarHBondContact CA-OD2 3.33Å; A85-D96 PolarHBondContact N-OD2 3.47Å
86Q80.7Confident82.9Confident94 Ų9441.3 Ų41.344%0.43926%0.259SS..SBendtrans-145.1139.8-178.4-65.8-164.431.200111.2S83 P84 D88 D96S83-Q86 WeakPolarHBondContact CB-O 3.39Å; S83-Q86 PolarHBondContact O-N 3Å; S83-Q86 VanDerWaalsContact O-O 3.08Å; P84-Q86 PolarHBondContact O-N 3.07Å; Q86-D88 PolarHBondContact O-N 2.9Å; Q86-D96 PolarHBondContact N-OD2 3.03Å
87C84.2Confident83.5Confident32 Ų3238.8 Ų38.822%0.21624%0.237CC..PPolyproline II helixtrans-64.9120.2178.8178.50000112.9D94 C97 D101 F105C87-D94 WeakPolarHBondContact CA-OD2 3.42Å; C87-C97 WeakPolarHBondContact CA-SG 3.33Å; C87-C97 HydrophobicContact CB-CB 3.87Å; C87-C97 WeakPolarHBondContact CB-SG 3.01Å; C87-C97 WeakPolarHBondContact SG-CA 3.43Å; C87-C97 WeakPolarHBondContact SG-CB 3.29Å; C87-C97 CovalentContact SG-SG 2.03Å; C87-C97 PolarHBondContact SG-SG 3.38Å; C87-D101 HydrophobicContact CB-CB 4.26Å; C87-D101 WeakPolarHBondContact SG-CB 3.31Å; C87-F105 VanDerWaalsContact SG-CZ 3.51Å
88D83.2Confident84Confident25 Ų2540.4 Ų40.413%0.13425%0.25CS..PPolyproline II helixtrans-81.4125.6169.2-75.9-62.7000111.7C80 D81 L82 S83 Q86 N90 C91 D94 F105C80-D88 WeakPolarHBondContact O-CB 3.35Å; D81-D88 WeakPolarHBondContact CA-OD2 3.45Å; L82-D88 WeakPolarHBondContact CA-OD2 3.43Å; L82-D88 PolarHBondContact N-OD2 3.38Å; S83-D88 VanDerWaalsContact CB-OD1 3.29Å; S83-D88 WeakPolarHBondContact CB-OD1 3.44Å; S83-D88 WeakPolarHBondContact CB-OD2 3.46Å; S83-D88 PolarHBondContact N-OD2 2.79Å; S83-D88 PolarHBondContact OG-OD1 2.88Å; Q86-D88 PolarHBondContact O-N 2.9Å; D88-N90 PolarHBondContact O-N 2.79Å; D88-C91 HydrophobicContact CB-CB 3.67Å; D88-C91 VanDerWaalsContact O-CB 3.27Å; D88-C91 WeakPolarHBondContact O-CB 3.45Å; D88-C91 PolarHBondContact O-N 2.83Å; D88-D94 PolarHBondContact N-OD2 2.77Å; D88-F105 WeakPolarHBondContact O-CZ 3.48Å
89V83.4Confident84Confident92 Ų9242 Ų4256%0.55826%0.261SS*.THydrogen-bonded Turntrans-59.4131.5-176.8-179.60000110.9C91 F105V89-C91 PolarHBondContact O-N 3.27Å; V89-F105 HydrophobicContact CB-CE1 4.37Å; V89-F105 HydrophobicContact CG1-CD1 4.18Å; V89-F105 HydrophobicContact CG1-CE1 4.32Å
90N84.4Confident84.2Confident34 Ų3443.4 Ų43.418%0.18227%0.27CS..THydrogen-bonded Turntrans65.85.5-175.2-56.7-43.8000114.6D88 C92 F105 S106 A107 C108 S109D88-N90 PolarHBondContact O-N 2.79Å; N90-C92 PolarHBondContact O-N 2.81Å; N90-F105 VanDerWaalsContact CA-CD2 3.47Å; N90-F105 VanDerWaalsContact N-CE2 3.35Å; N90-F105 VanDerWaalsContact N-CZ 3.27Å; N90-F105 WeakPolarHBondContact OD1-CA 3.02Å; N90-S106 PolarHBondContact OD1-N 2.73Å; N90-S106 PolarHBondContact OD1-OG 2.98Å; N90-A107 WeakPolarHBondContact CA-O 3.5Å; N90-A107 WeakPolarHBondContact CB-O 3.44Å; N90-A107 PolarHBondContact OD1-N 3.32Å; N90-A107 PolarHBondContact OD1-O 3.34Å; N90-C108 CarbonylContact O-C 3.45Å; N90-C108 WeakPolarHBondContact O-CA 3.27Å; N90-S109 WeakPolarHBondContact CB-OG 3.4Å; N90-S109 PolarHBondContact O-N 3.19Å; N90-S109 PolarHBondContact O-OG 2.86Å
91C88.6Confident84.2Confident1 Ų145 Ų451%0.00728%0.277CS..  trans-86.989.2176-169.90000111.5C78 C80 D81 D88 V89 C93 D94C78-C91 PolarHBondContact SG-SG 3.35Å; C80-C91 VanDerWaalsContact CA-SG 3.54Å; C80-C91 HydrophobicContact CB-CB 3.78Å; C80-C91 WeakPolarHBondContact CB-SG 3.29Å; C80-C91 PolarHBondContact O-SG 3.09Å; C80-C91 VanDerWaalsContact O-SG 3.38Å; C80-C91 WeakPolarHBondContact SG-CA 3.36Å; C80-C91 WeakPolarHBondContact SG-CB 3.49Å; C80-C91 CovalentContact SG-SG 2.04Å; C80-C91 PolarHBondContact SG-SG 2.86Å; D81-C91 PolarHBondContact N-SG 3.44Å; D81-C91 VanDerWaalsContact N-SG 3.37Å; D88-C91 HydrophobicContact CB-CB 3.67Å; D88-C91 VanDerWaalsContact O-CB 3.27Å; D88-C91 WeakPolarHBondContact O-CB 3.45Å; D88-C91 PolarHBondContact O-N 2.83Å; V89-C91 PolarHBondContact O-N 3.27Å; C91-C93 VanDerWaalsContact C-N 3.27Å; C91-C93 PolarHBondContact O-N 3.03Å; C91-C93 VanDerWaalsContact SG-SG 3.67Å; C91-D94 HydrophobicContact CB-CB 3.97Å; C91-D94 WeakPolarHBondContact O-CB 3.42Å; C91-D94 PolarHBondContact O-N 3.39Å; C91-D94 VanDerWaalsContact O-N 3.17Å
92C88.8Confident84.1Confident0 Ų044.5 Ų44.50%027%0.274CS..THydrogen-bonded Turntrans-70.7-18.9-174-64.10000114.8N90 D94 C108 Y127 R138N90-C92 PolarHBondContact O-N 2.81Å; C92-D94 VanDerWaalsContact C-N 3.32Å; C92-C108 HydrophobicContact CB-CB 3.79Å; C92-C108 WeakPolarHBondContact CB-SG 3.4Å; C92-C108 WeakPolarHBondContact SG-CA 3.43Å; C92-C108 WeakPolarHBondContact SG-CB 3.33Å; C92-C108 CovalentContact SG-SG 2.03Å; C92-C108 PolarHBondContact SG-SG 3.48Å; C92-Y127 HydrophobicContact CB-CD1 4.28Å; C92-Y127 HydrophobicContact CB-CG 4.22Å; C92-Y127 WeakPolarHBondContact O-CD1 3.48Å; C92-R138 WeakPolarHBondContact O-CD 3.49Å
93C87.9Confident83.9Confident10 Ų1045.9 Ų45.97%0.06829%0.287CS..THydrogen-bonded Turntrans-85.2-7.2175.157.50000113.5C78 C80 C91 Y127C78-C93 WeakPolarHBondContact CA-SG 3.44Å; C78-C93 HydrophobicContact CB-CB 3.7Å; C78-C93 WeakPolarHBondContact CB-SG 3.41Å; C78-C93 WeakPolarHBondContact SG-CB 3.43Å; C78-C93 PolarHBondContact SG-O 2.61Å; C78-C93 CovalentContact SG-SG 2.04Å; C78-C93 PolarHBondContact SG-SG 2.89Å; C80-C93 PolarHBondContact SG-SG 2.83Å; C91-C93 VanDerWaalsContact C-N 3.27Å; C91-C93 PolarHBondContact O-N 3.03Å; C91-C93 VanDerWaalsContact SG-SG 3.67Å; C93-Y127 HydrophobicContact CB-CD1 4.31Å; C93-Y127 HydrophobicContact CB-CD2 4.09Å; C93-Y127 HydrophobicContact CB-CE1 3.76Å; C93-Y127 HydrophobicContact CB-CE2 3.52Å; C93-Y127 HydrophobicContact CB-CG 4.46Å
94D88.6Confident84Confident0 Ų050.3 Ų50.30%031%0.313CS..  trans-65.1123.9-177.4-173.4-25.3000110.3C78 C87 D88 C91 C92 D96 C97 R138C78-D94 PolarHBondContact SG-N 3.01Å; C78-D94 VanDerWaalsContact SG-N 3.4Å; C87-D94 WeakPolarHBondContact CA-OD2 3.42Å; D88-D94 PolarHBondContact N-OD2 2.77Å; C91-D94 HydrophobicContact CB-CB 3.97Å; C91-D94 WeakPolarHBondContact O-CB 3.42Å; C91-D94 PolarHBondContact O-N 3.39Å; C91-D94 VanDerWaalsContact O-N 3.17Å; C92-D94 VanDerWaalsContact C-N 3.32Å; D94-D96 VanDerWaalsContact C-N 3.3Å; D94-D96 WeakPolarHBondContact OD1-CA 3.46Å; D94-D96 WeakPolarHBondContact OD1-CB 3.46Å; D94-D96 PolarHBondContact OD1-N 3.06Å; D94-C97 HydrophobicContact CB-CB 4.44Å; D94-R138 PolarHBondContact O-NH1 2.03Å
95P86.9Confident84.5Confident90 Ų9047.7 Ų47.758%0.58430%0.295SS*.SBendtrans-72.7-20.7178.631.2-35.5000113.7
96D87.8Confident84.8Confident75 Ų7548.1 Ų48.140%0.40129%0.292SS..SBendtrans-85.3-12.5-176.3-64.8-41.8000112.7A85 Q86 D94A85-D96 WeakPolarHBondContact CA-OD2 3.33Å; A85-D96 PolarHBondContact N-OD2 3.47Å; Q86-D96 PolarHBondContact N-OD2 3.03Å; D94-D96 VanDerWaalsContact C-N 3.3Å; D94-D96 WeakPolarHBondContact OD1-CA 3.46Å; D94-D96 WeakPolarHBondContact OD1-CB 3.46Å; D94-D96 PolarHBondContact OD1-N 3.06Å
97C87.3Confident84.9Confident12 Ų1246.1 Ų46.18%0.08129%0.292CS..  trans-76.3127.8176.4-66.90000113.8C87 D94 F102C87-C97 WeakPolarHBondContact CA-SG 3.33Å; C87-C97 HydrophobicContact CB-CB 3.87Å; C87-C97 WeakPolarHBondContact CB-SG 3.01Å; C87-C97 WeakPolarHBondContact SG-CA 3.43Å; C87-C97 WeakPolarHBondContact SG-CB 3.29Å; C87-C97 CovalentContact SG-SG 2.03Å; C87-C97 PolarHBondContact SG-SG 3.38Å; D94-C97 HydrophobicContact CB-CB 4.44Å; C97-F102 HydrophobicContact CB-CD1 4.3Å; C97-F102 HydrophobicContact CB-CE1 3.44Å; C97-F102 VanDerWaalsContact CB-CE1 3.44Å; C97-F102 HydrophobicContact CB-CZ 3.84Å; C97-F102 WeakPolarHBondContact O-CZ 3.49Å
98S87.2Confident84.8Confident51 Ų5145.7 Ų45.736%0.35729%0.289SS..  trans-98.9173.2175.978.30000112.8V100 D101 F102S98-V100 PolarHBondContact O-N 3.35Å; S98-V100 PolarHBondContact OG-N 3.46Å; S98-D101 WeakPolarHBondContact CA-OD2 3.35Å; S98-D101 VanDerWaalsContact CB-OD2 3.31Å; S98-D101 WeakPolarHBondContact CB-OD2 3.38Å; S98-D101 PolarHBondContact N-OD2 2.85Å; S98-D101 PolarHBondContact O-N 3.34Å; S98-D101 VanDerWaalsContact O-N 3.1Å; S98-D101 PolarHBondContact OG-OD2 2.72Å; S98-F102 VanDerWaalsContact O-CD2 3.29Å; S98-F102 WeakPolarHBondContact O-CD2 3.49Å; S98-F102 WeakPolarHBondContact O-CG 3.34Å; S98-F102 PolarHBondContact O-N 3.19Å; S98-F102 VanDerWaalsContact O-N 3.14Å
99S83.1Confident84.7Confident45 Ų4548.2 Ų48.232%0.31531%0.309SS..THydrogen-bonded Turntrans-62.1-23.4174.159.30000114.1S103 P136S99-S103 PolarHBondContact O-OG 3.38Å; S99-P136 WeakPolarHBondContact CB-O 3.45Å
100V83.6Confident84.6Confident102 Ų10245.1 Ų45.162%0.61829%0.29SS*.THydrogen-bonded Turntrans-70.7-43.4174.3-179.30000109.6S98 F102 S103S98-V100 PolarHBondContact O-N 3.35Å; S98-V100 PolarHBondContact OG-N 3.46Å; V100-F102 PolarHBondContact O-N 2.96Å; V100-S103 VanDerWaalsContact O-CB 3.24Å; V100-S103 WeakPolarHBondContact O-CB 3.25Å; V100-S103 PolarHBondContact O-N 2.99Å; V100-S103 VanDerWaalsContact O-N 3.16Å; V100-S103 PolarHBondContact O-OG 3.48Å
101D83.3Confident84.2Confident54 Ų5446.7 Ų46.729%0.28930%0.302SS..G310 helixtrans-68.3-35.4-178.1-51.3-58000112.1C87 S98 S103 V104 F105C87-D101 HydrophobicContact CB-CB 4.26Å; C87-D101 WeakPolarHBondContact SG-CB 3.31Å; S98-D101 WeakPolarHBondContact CA-OD2 3.35Å; S98-D101 VanDerWaalsContact CB-OD2 3.31Å; S98-D101 WeakPolarHBondContact CB-OD2 3.38Å; S98-D101 PolarHBondContact N-OD2 2.85Å; S98-D101 PolarHBondContact O-N 3.34Å; S98-D101 VanDerWaalsContact O-N 3.1Å; S98-D101 PolarHBondContact OG-OD2 2.72Å; D101-S103 PolarHBondContact O-N 3.3Å; D101-V104 WeakPolarHBondContact O-CG2 3.35Å; D101-V104 PolarHBondContact O-N 3.22Å; D101-V104 VanDerWaalsContact O-N 3.07Å; D101-F105 WeakPolarHBondContact O-CD1 3.42Å; D101-F105 WeakPolarHBondContact O-CE1 2.92Å
102F83.6Confident83.8Confident11 Ų1149.9 Ų49.95%0.04832%0.321CS..G310 helixtrans-60.2-18175-60.2-34000113.9C97 S98 V100 V104 F105 L129 P136 R138C97-F102 HydrophobicContact CB-CD1 4.3Å; C97-F102 HydrophobicContact CB-CE1 3.44Å; C97-F102 VanDerWaalsContact CB-CE1 3.44Å; C97-F102 HydrophobicContact CB-CZ 3.84Å; C97-F102 WeakPolarHBondContact O-CZ 3.49Å; S98-F102 VanDerWaalsContact O-CD2 3.29Å; S98-F102 WeakPolarHBondContact O-CD2 3.49Å; S98-F102 WeakPolarHBondContact O-CG 3.34Å; S98-F102 PolarHBondContact O-N 3.19Å; S98-F102 VanDerWaalsContact O-N 3.14Å; V100-F102 PolarHBondContact O-N 2.96Å; F102-V104 VanDerWaalsContact C-N 3.27Å; F102-V104 PolarHBondContact O-N 2.99Å; F102-F105 AromaticContact CD1-CD2 3.93Å; F102-F105 HydrophobicContact CD1-CD2 3.93Å; F102-F105 AromaticContact CD1-CE2 3.78Å; F102-F105 HydrophobicContact CD1-CE2 3.78Å; F102-F105 HydrophobicContact CD1-CZ 4.28Å; F102-F105 HydrophobicContact CE1-CE2 4.1Å; F102-F105 PolarHBondContact O-N 2.92Å; F102-L129 HydrophobicContact CB-CD2 4.06Å; F102-L129 HydrophobicContact CD1-CD2 3.76Å; F102-L129 HydrophobicContact CD2-CD2 4.49Å; F102-L129 HydrophobicContact CE1-CD2 4.39Å; F102-L129 HydrophobicContact CG-CD2 3.85Å; F102-P136 HydrophobicContact CB-CB 4.01Å; F102-R138 HydrophobicContact CD2-CB 4.32Å; F102-R138 HydrophobicContact CE1-CB 4.43Å; F102-R138 HydrophobicContact CE2-CB 3.62Å; F102-R138 HydrophobicContact CZ-CB 3.7Å
103S79.2Confident83.2Confident68 Ų6850.9 Ų50.948%0.47633%0.327SS..G310 helixtrans-70.4-22.6177.2-52.80000113.4S99 V100 D101 P136S99-S103 PolarHBondContact O-OG 3.38Å; V100-S103 VanDerWaalsContact O-CB 3.24Å; V100-S103 WeakPolarHBondContact O-CB 3.25Å; V100-S103 PolarHBondContact O-N 2.99Å; V100-S103 VanDerWaalsContact O-N 3.16Å; V100-S103 PolarHBondContact O-OG 3.48Å; D101-S103 PolarHBondContact O-N 3.3Å; S103-P136 WeakPolarHBondContact OG-CD 3.19Å
104V82.7Confident82.5Confident109 Ų10953.4 Ų53.466%0.66134%0.343SS*.G310 helixtrans-97.3-0.3177.3-61.40000112.8D101 F102D101-V104 WeakPolarHBondContact O-CG2 3.35Å; D101-V104 PolarHBondContact O-N 3.22Å; D101-V104 VanDerWaalsContact O-N 3.07Å; F102-V104 VanDerWaalsContact C-N 3.27Å; F102-V104 PolarHBondContact O-N 2.99Å
105F84.4Confident81.5Confident11 Ų1154 Ų545%0.04835%0.349CS..  trans-80.7144-179.7-73.520.5000110C87 D88 V89 N90 D101 F102 L129 F131C87-F105 VanDerWaalsContact SG-CZ 3.51Å; D88-F105 WeakPolarHBondContact O-CZ 3.48Å; V89-F105 HydrophobicContact CB-CE1 4.37Å; V89-F105 HydrophobicContact CG1-CD1 4.18Å; V89-F105 HydrophobicContact CG1-CE1 4.32Å; N90-F105 VanDerWaalsContact CA-CD2 3.47Å; N90-F105 VanDerWaalsContact N-CE2 3.35Å; N90-F105 VanDerWaalsContact N-CZ 3.27Å; N90-F105 WeakPolarHBondContact OD1-CA 3.02Å; D101-F105 WeakPolarHBondContact O-CD1 3.42Å; D101-F105 WeakPolarHBondContact O-CE1 2.92Å; F102-F105 AromaticContact CD1-CD2 3.93Å; F102-F105 HydrophobicContact CD1-CD2 3.93Å; F102-F105 AromaticContact CD1-CE2 3.78Å; F102-F105 HydrophobicContact CD1-CE2 3.78Å; F102-F105 HydrophobicContact CD1-CZ 4.28Å; F102-F105 HydrophobicContact CE1-CE2 4.1Å; F102-F105 PolarHBondContact O-N 2.92Å; F105-L129 HydrophobicContact CB-CD1 3.55Å; F105-L129 HydrophobicContact CD2-CD1 3.82Å; F105-L129 HydrophobicContact CD2-CD2 4.4Å; F105-L129 HydrophobicContact CG-CD1 4.19Å; F105-F131 VanDerWaalsContact O-CE1 3.31Å; F105-F131 WeakPolarHBondContact O-CE1 3.46Å
106S81.8Confident80.6Confident94 Ų9450.3 Ų50.366%0.65732%0.324SS*.  trans-101.8-30.9175.3560000112.1N90N90-S106 PolarHBondContact OD1-N 2.73Å; N90-S106 PolarHBondContact OD1-OG 2.98Å
107A82.1Confident79.8Confident52 Ų5250.6 Ų50.643%0.4333%0.332SS..SBendtrans-162.8178.6179.700000110.3N90N90-A107 WeakPolarHBondContact CA-O 3.5Å; N90-A107 WeakPolarHBondContact CB-O 3.44Å; N90-A107 PolarHBondContact OD1-N 3.32Å; N90-A107 PolarHBondContact OD1-O 3.34Å
108C82.3Confident79.1Confident24 Ų2455 Ų5516%0.16235%0.352CS..  trans-95121.3166.5-63.50000109.9N90 C92 V110 P111N90-C108 CarbonylContact O-C 3.45Å; N90-C108 WeakPolarHBondContact O-CA 3.27Å; C92-C108 HydrophobicContact CB-CB 3.79Å; C92-C108 WeakPolarHBondContact CB-SG 3.4Å; C92-C108 WeakPolarHBondContact SG-CA 3.43Å; C92-C108 WeakPolarHBondContact SG-CB 3.33Å; C92-C108 CovalentContact SG-SG 2.03Å; C92-C108 PolarHBondContact SG-SG 3.48Å; C108-V110 PolarHBondContact O-N 3.23Å; C108-P111 HydrophobicContact CB-CB 4.41Å
109S82.1Confident78.7Confident77 Ų7754.2 Ų54.254%0.53834%0.341SS..SBendtrans-64-32.2175-60.30000112.2N90N90-S109 WeakPolarHBondContact CB-OG 3.4Å; N90-S109 PolarHBondContact O-N 3.19Å; N90-S109 PolarHBondContact O-OG 2.86Å
110V80.4Confident78.6Confident27 Ų2753.2 Ų53.216%0.16433%0.334CS..SBendtrans-12486.5176-173.10000108.3V79 C80 C108 V113V79-V110 HydrophobicContact CG2-CG2 3.76Å; C80-V110 HydrophobicContact CB-CG2 3.97Å; C108-V110 PolarHBondContact O-N 3.23Å; V110-V113 HydrophobicContact CG1-CG2 3.83Å
111P76.8Confident78.5Confident68 Ų6850.9 Ų50.944%0.44232%0.323SS..  trans-79.2-24.2-174.230-34.6000113C108 I126 Y127C108-P111 HydrophobicContact CB-CB 4.41Å; P111-I126 WeakPolarHBondContact O-CA 3.31Å; P111-Y127 PolarHBondContact O-N 3.26Å
112V79.6Confident78.2Confident67 Ų6749.2 Ų49.241%0.40631%0.313SS..EExtended strand (participates in β ladder)trans-140.9132.3180-171.90000109.9T114 V125 I126V112-T114 HydrophobicContact CG1-CG2 3.54Å; V112-V125 CarbonylContact C-O 3.56Å; V112-V125 VanDerWaalsContact CA-O 3.27Å; V112-V125 WeakPolarHBondContact CA-O 3.02Å; V112-I126 HydrophobicContact CG1-CG1 4.4Å; V112-I126 HydrophobicContact CG2-CG1 4.31Å
113V76.8Confident78.1Confident22 Ų2254.2 Ų54.213%0.13334%0.335CS..EExtended strand (participates in β ladder)trans-115.6120.9168.2-169.40000106.8V74 L77 V110 A124 V125 Y127V74-V113 HydrophobicContact CG1-CB 3.88Å; V74-V113 HydrophobicContact CG1-CG1 3.68Å; V74-V113 WeakPolarHBondContact CG1-O 3.44Å; L77-V113 HydrophobicContact CB-CG1 4.13Å; V110-V113 HydrophobicContact CG1-CG2 3.83Å; V113-A124 CarbonylContact O-C 3.59Å; V113-A124 WeakPolarHBondContact O-CA 3.47Å; V113-V125 HydrophobicContact CB-CB 4.43Å; V113-V125 PolarHBondContact N-O 3.12Å; V113-V125 PolarHBondContact O-N 2.77Å; V113-Y127 HydrophobicContact CG2-CD2 4.43Å; V113-Y127 HydrophobicContact CG2-CE2 4.03Å
114T72.4Confident78.2Confident63 Ų6351 Ų5139%0.38731%0.312SS..EExtended strand (participates in β ladder)trans-117.7152.5-176.956.80000112.2V112 A124V112-T114 HydrophobicContact CG1-CG2 3.54Å; T114-A124 HydrophobicContact CG2-CB 3.76Å
115G67.9Low78.3Confident13 Ų1345.8 Ų45.813%0.13428%0.281CS..  trans-73.5-155.5165.600000113.6S117 Q122 K123G115-S117 PolarHBondContact O-N 2.95Å; G115-Q122 PolarHBondContact O-OE1 3.3Å; G115-K123 PolarHBondContact N-O 2.81Å
116D69.2Low78.4Confident12 Ų1248.5 Ų48.56%0.06430%0.295CS..  trans-70.5114.9-179.7-152.1-32.7000112.5Q118 F119 Q122 L525D116-Q118 PolarHBondContact O-N 2.97Å; D116-Q118 VanDerWaalsContact OD1-CB 3.28Å; D116-Q118 WeakPolarHBondContact OD1-CB 3.45Å; D116-Q118 VanDerWaalsContact OD1-CG 3.28Å; D116-Q118 WeakPolarHBondContact OD1-CG 3.04Å; D116-Q118 PolarHBondContact OD1-N 2.78Å; D116-F119 HydrophobicContact CB-CD2 3.37Å; D116-F119 HydrophobicContact CB-CE2 3.56Å; D116-F119 HydrophobicContact CB-CG 4.48Å; D116-F119 PolarHBondContact O-N 3.02Å; D116-Q122 PolarHBondContact O-OE1 3.28Å; D116-L525 HydrophobicContact CB-CD1 4.12Å; D116-L525 HydrophobicContact CB-CD2 3.17Å; D116-L525 HydrophobicContact CB-CG 4.25Å; D116-L525 WeakPolarHBondContact OD2-CD2 3.4Å
117S70.3Confident78.6Confident80 Ų8044.6 Ų44.656%0.55927%0.266SS*.THydrogen-bonded Turntrans-58.8-17.1173.863.50000113.6G115 S147G115-S117 PolarHBondContact O-N 2.95Å; S117-S147 PolarHBondContact O-OG 2.62Å
118Q73.6Confident78.8Confident106 Ų10644.5 Ų44.550%0.49526%0.262SS..THydrogen-bonded Turntrans-74.2-22.1175.3-61.3-176.68.600112.8D116 C152 I153D116-Q118 PolarHBondContact O-N 2.97Å; D116-Q118 VanDerWaalsContact OD1-CB 3.28Å; D116-Q118 WeakPolarHBondContact OD1-CB 3.45Å; D116-Q118 VanDerWaalsContact OD1-CG 3.28Å; D116-Q118 WeakPolarHBondContact OD1-CG 3.04Å; D116-Q118 PolarHBondContact OD1-N 2.78Å; Q118-C152 CarbonylContact O-C 3.57Å; Q118-C152 WeakPolarHBondContact O-CA 3.47Å; Q118-I153 HydrophobicContact CB-CD1 3.91Å; Q118-I153 HydrophobicContact CB-CG1 4.34Å; Q118-I153 PolarHBondContact O-N 2.03Å
119F77.9Confident79Confident33 Ų3344.4 Ų44.415%0.14526%0.26CS..BIsolated β-bridgetrans-77149.1179-72.1-71.3000112.8D116 S121 S147 I153 T156 L162D116-F119 HydrophobicContact CB-CD2 3.37Å; D116-F119 HydrophobicContact CB-CE2 3.56Å; D116-F119 HydrophobicContact CB-CG 4.48Å; D116-F119 PolarHBondContact O-N 3.02Å; F119-S121 VanDerWaalsContact C-N 3.34Å; F119-S121 WeakPolarHBondContact CB-O 3.4Å; F119-S147 WeakPolarHBondContact O-CB 3.18Å; F119-I153 CarbonylContact C-O 3.56Å; F119-I153 VanDerWaalsContact CA-O 3.25Å; F119-I153 WeakPolarHBondContact CA-O 3.49Å; F119-I153 HydrophobicContact CD1-CB 3.85Å; F119-I153 HydrophobicContact CD1-CG2 3.85Å; F119-I153 VanDerWaalsContact CD1-O 3.24Å; F119-I153 WeakPolarHBondContact CD1-O 3.46Å; F119-I153 HydrophobicContact CE1-CB 4Å; F119-I153 HydrophobicContact CE1-CG2 3.57Å; F119-T156 HydrophobicContact CE1-CG2 3.78Å; F119-T156 HydrophobicContact CZ-CG2 3.71Å; F119-L162 HydrophobicContact CE2-CD1 4.35Å; F119-L162 HydrophobicContact CE2-CD2 4.34Å; F119-L162 HydrophobicContact CZ-CD1 3.99Å; F119-L162 HydrophobicContact CZ-CD2 4.09Å
120C81Confident79.2Confident24 Ų2443.6 Ų43.616%0.16225%0.249CC..SBendtrans-67.5-35.9176.5-61.10000112.6I146 S147 C152 I153C120-I146 VanDerWaalsContact O-CA 3.31Å; C120-I146 WeakPolarHBondContact O-CA 3.27Å; C120-S147 PolarHBondContact O-N 3.02Å; C120-C152 WeakPolarHBondContact CA-SG 2.92Å; C120-C152 HydrophobicContact CB-CB 3.86Å; C120-C152 WeakPolarHBondContact CB-SG 3.01Å; C120-C152 WeakPolarHBondContact SG-CB 3.33Å; C120-C152 PolarHBondContact SG-O 3.29Å; C120-C152 CovalentContact SG-SG 2.03Å; C120-C152 PolarHBondContact SG-SG 3.49Å; C120-I153 PolarHBondContact N-O 3.24Å
121S80.6Confident79.3Confident54 Ų5447.2 Ų47.238%0.37826%0.263SS..EExtended strand (participates in β ladder)trans-124.3128167.4176.30000108.2F119 E144F119-S121 VanDerWaalsContact C-N 3.34Å; F119-S121 WeakPolarHBondContact CB-O 3.4Å; S121-E144 PolarHBondContact OG-OE2 2.04Å
122Q77.1Confident79.8Confident18 Ų1850 Ų508%0.08428%0.279CS..EExtended strand (participates in β ladder)trans-129145.2177.162.6176.61.700110.4G115 D116 E144 Q145G115-Q122 PolarHBondContact O-OE1 3.3Å; D116-Q122 PolarHBondContact O-OE1 3.28Å; Q122-E144 CarbonylContact O-C 3.18Å; Q122-E144 WeakPolarHBondContact O-CA 3.25Å; Q122-Q145 HydrophobicContact CG-CB 3.95Å; Q122-Q145 WeakPolarHBondContact CG-O 3.07Å; Q122-Q145 PolarHBondContact N-O 3.07Å; Q122-Q145 PolarHBondContact O-N 3.47Å
123K81.1Confident79.8Confident117 Ų11747.7 Ų47.751%0.50927%0.268SS..EExtended strand (participates in β ladder)trans-74.6133.5169.9-67-175.9179.9-177.30109.5G115 L142G115-K123 PolarHBondContact N-O 2.81Å; K123-L142 HydrophobicContact CB-CD1 4.29Å
124A82.8Confident80Confident0 Ų054 Ų540%030%0.301CS..EExtended strand (participates in β ladder)trans-130.2140.2172.100000109.4V113 T114 L142 V143 Q145V113-A124 CarbonylContact O-C 3.59Å; V113-A124 WeakPolarHBondContact O-CA 3.47Å; T114-A124 HydrophobicContact CG2-CB 3.76Å; A124-L142 WeakPolarHBondContact O-CA 3.24Å; A124-V143 HydrophobicContact CB-CG2 3.9Å; A124-V143 PolarHBondContact N-O 3.14Å; A124-V143 PolarHBondContact O-N 3.3Å; A124-Q145 HydrophobicContact CB-CB 4.24Å
125V84.7Confident80.3Confident0 Ų054.1 Ų54.10%030%0.302CS..EExtended strand (participates in β ladder)trans-108.8123.2174.1178.20000107.6V74 A75 V112 V113 Y127 F140 K141 L142V74-V125 HydrophobicContact CB-CG2 4.3Å; V74-V125 HydrophobicContact CG1-CB 4.27Å; V74-V125 HydrophobicContact CG1-CG2 3.78Å; A75-V125 HydrophobicContact CB-CG2 4.31Å; V112-V125 CarbonylContact C-O 3.56Å; V112-V125 VanDerWaalsContact CA-O 3.27Å; V112-V125 WeakPolarHBondContact CA-O 3.02Å; V113-V125 HydrophobicContact CB-CB 4.43Å; V113-V125 PolarHBondContact N-O 3.12Å; V113-V125 PolarHBondContact O-N 2.77Å; V125-Y127 HydrophobicContact CB-CE2 4.21Å; V125-Y127 HydrophobicContact CG1-CD2 3.91Å; V125-Y127 HydrophobicContact CG1-CE1 4.24Å; V125-Y127 HydrophobicContact CG1-CE2 3.31Å; V125-Y127 VanDerWaalsContact CG1-CZ 3.5Å; V125-F140 HydrophobicContact CB-CE2 4.46Å; V125-F140 HydrophobicContact CG1-CD2 3.62Å; V125-F140 HydrophobicContact CG1-CE2 3.3Å; V125-F140 HydrophobicContact CG1-CZ 4.19Å; V125-F140 HydrophobicContact CG2-CE2 4.31Å; V125-K141 WeakPolarHBondContact CA-O 3.34Å; V125-L142 HydrophobicContact CG2-CD1 3.53Å
126I85.3Confident81.1Confident67 Ų6754.1 Ų54.134%0.34430%0.3SS..EExtended strand (participates in β ladder)trans-107123.8177.1-55.9175.4000108.3P111 V112 K141 V143P111-I126 WeakPolarHBondContact O-CA 3.31Å; V112-I126 HydrophobicContact CG1-CG1 4.4Å; V112-I126 HydrophobicContact CG2-CG1 4.31Å; I126-K141 PolarHBondContact N-O 3.33Å; I126-K141 PolarHBondContact O-N 3.08Å; I126-V143 HydrophobicContact CD1-CG1 4.43Å; I126-V143 HydrophobicContact CD1-CG2 3.82Å; I126-V143 HydrophobicContact CG1-CG2 4.18Å
127Y86.5Confident81.9Confident12 Ų1258.9 Ų58.95%0.04732%0.322CS..EExtended strand (participates in β ladder)trans-106.2126.4173.6-67.7-79.8000109.7C92 C93 P111 V113 V125 F140C92-Y127 HydrophobicContact CB-CD1 4.28Å; C92-Y127 HydrophobicContact CB-CG 4.22Å; C92-Y127 WeakPolarHBondContact O-CD1 3.48Å; C93-Y127 HydrophobicContact CB-CD1 4.31Å; C93-Y127 HydrophobicContact CB-CD2 4.09Å; C93-Y127 HydrophobicContact CB-CE1 3.76Å; C93-Y127 HydrophobicContact CB-CE2 3.52Å; C93-Y127 HydrophobicContact CB-CG 4.46Å; P111-Y127 PolarHBondContact O-N 3.26Å; V113-Y127 HydrophobicContact CG2-CD2 4.43Å; V113-Y127 HydrophobicContact CG2-CE2 4.03Å; V125-Y127 HydrophobicContact CB-CE2 4.21Å; V125-Y127 HydrophobicContact CG1-CD2 3.91Å; V125-Y127 HydrophobicContact CG1-CE1 4.24Å; V125-Y127 HydrophobicContact CG1-CE2 3.31Å; V125-Y127 VanDerWaalsContact CG1-CZ 3.5Å; Y127-F140 HydrophobicContact CD1-CD2 4.28Å; Y127-F140 AromaticContact CE1-CD2 3.56Å; Y127-F140 HydrophobicContact CE1-CD2 3.56Å; Y127-F140 HydrophobicContact CE1-CE2 4.25Å; Y127-F140 AromaticContact CZ-CD2 3.87Å
128S86.4Confident82.7Confident51 Ų5159.8 Ų59.836%0.35731%0.313SS..EExtended strand (participates in β ladder)trans-143.2156.5171.360.10000110.6V139S128-V139 PolarHBondContact N-O 3.24Å; S128-V139 WeakPolarHBondContact O-CA 3.35Å; S128-V139 WeakPolarHBondContact O-CB 3.31Å; S128-V139 PolarHBondContact O-N 2.78Å; S128-V139 WeakPolarHBondContact OG-CB 3.24Å
129L85.8Confident83.3Confident22 Ų2256.7 Ų56.712%0.11530%0.301CS..EExtended strand (participates in β ladder)trans-102129.3175.5-65.2163.5000109.7F102 F105 F131F102-L129 HydrophobicContact CB-CD2 4.06Å; F102-L129 HydrophobicContact CD1-CD2 3.76Å; F102-L129 HydrophobicContact CD2-CD2 4.49Å; F102-L129 HydrophobicContact CE1-CD2 4.39Å; F102-L129 HydrophobicContact CG-CD2 3.85Å; F105-L129 HydrophobicContact CB-CD1 3.55Å; F105-L129 HydrophobicContact CD2-CD1 3.82Å; F105-L129 HydrophobicContact CD2-CD2 4.4Å; F105-L129 HydrophobicContact CG-CD1 4.19Å; L129-F131 HydrophobicContact CB-CD1 4.4Å; L129-F131 HydrophobicContact CB-CD2 4.28Å; L129-F131 HydrophobicContact CB-CE1 3.95Å; L129-F131 HydrophobicContact CB-CE2 3.82Å; L129-F131 HydrophobicContact CB-CZ 3.65Å; L129-F131 HydrophobicContact CD1-CE1 3.86Å; L129-F131 HydrophobicContact CD1-CE2 4.37Å; L129-F131 HydrophobicContact CD1-CZ 3.51Å; L129-F131 HydrophobicContact CG-CZ 4.25Å; L129-F131 PolarHBondContact O-N 2.77Å
130N87.3Confident83.7Confident59 Ų5959.6 Ų59.632%0.31631%0.314SS..EExtended strand (participates in β ladder)trans-89.891168.1-174.30.7000109.4T132 A133 Q137 V139N130-T132 PolarHBondContact O-N 2.99Å; N130-T132 PolarHBondContact OD1-N 2.81Å; N130-T132 PolarHBondContact OD1-OG1 2.87Å; N130-A133 HydrophobicContact CB-CB 4.45Å; N130-A133 PolarHBondContact O-N 3.5Å; N130-A133 PolarHBondContact OD1-N 2.99Å; N130-Q137 PolarHBondContact N-O 3.19Å; N130-Q137 PolarHBondContact O-N 2.9Å; N130-V139 HydrophobicContact CB-CG2 3.9Å
131F83.2Confident83.9Confident103 Ų10364.5 Ų64.545%0.45233%0.332SS..THydrogen-bonded Turntrans-71.3-11.5175.5-60-69.5000113.8F105 L129F105-F131 VanDerWaalsContact O-CE1 3.31Å; F105-F131 WeakPolarHBondContact O-CE1 3.46Å; L129-F131 HydrophobicContact CB-CD1 4.4Å; L129-F131 HydrophobicContact CB-CD2 4.28Å; L129-F131 HydrophobicContact CB-CE1 3.95Å; L129-F131 HydrophobicContact CB-CE2 3.82Å; L129-F131 HydrophobicContact CB-CZ 3.65Å; L129-F131 HydrophobicContact CD1-CE1 3.86Å; L129-F131 HydrophobicContact CD1-CE2 4.37Å; L129-F131 HydrophobicContact CD1-CZ 3.51Å; L129-F131 HydrophobicContact CG-CZ 4.25Å; L129-F131 PolarHBondContact O-N 2.77Å
132T85.7Confident84.1Confident126 Ų12666.1 Ų66.177%0.77334%0.336SS*.THydrogen-bonded Turntrans-84.2-15.1176.667.40000112.8N130N130-T132 PolarHBondContact O-N 2.99Å; N130-T132 PolarHBondContact OD1-N 2.81Å; N130-T132 PolarHBondContact OD1-OG1 2.87Å
133A81.2Confident84.5Confident20 Ų2067.7 Ų67.717%0.16535%0.347CS..SBendtrans-78.5143.6170.900000110.3N130 P135 P136 Q137N130-A133 HydrophobicContact CB-CB 4.45Å; N130-A133 PolarHBondContact O-N 3.5Å; N130-A133 PolarHBondContact OD1-N 2.99Å; A133-P135 CarbonylContact C-O 3.32Å; A133-P135 CarbonylContact O-C 3.55Å; A133-P136 WeakPolarHBondContact O-CA 3.38Å; A133-P136 VanDerWaalsContact O-N 3.09Å; A133-Q137 HydrophobicContact CB-CB 4.42Å; A133-Q137 HydrophobicContact CB-CG 4.15Å
134N79.3Confident84.6Confident155 Ų15568.8 Ų68.883%0.82935%0.354SS*.SBendtrans-121.1110176.2-82.4-41.3000110.1
135P79.7Confident84.4Confident64 Ų6473 Ų7342%0.41637%0.374SS..SBendcis-69.7159.8-3.630.5-35.6000112.9A133 Q137A133-P135 CarbonylContact C-O 3.32Å; A133-P135 CarbonylContact O-C 3.55Å; P135-Q137 WeakPolarHBondContact O-CG 3.1Å
136P84.2Confident84.3Confident13 Ų1379.6 Ų79.68%0.08441%0.407CS..  trans-53.8140.3176.8-28.537.4000112.1S99 F102 S103 A133S99-P136 WeakPolarHBondContact CB-O 3.45Å; F102-P136 HydrophobicContact CB-CB 4.01Å; S103-P136 WeakPolarHBondContact OG-CD 3.19Å; A133-P136 WeakPolarHBondContact O-CA 3.38Å; A133-P136 VanDerWaalsContact O-N 3.09Å
137Q85.5Confident84Confident113 Ų11377.4 Ų77.453%0.52840%0.398SS..EExtended strand (participates in β ladder)trans-122.9140.1-175.6-65.3-171.3-8.200112N130 A133 P135 V139N130-Q137 PolarHBondContact N-O 3.19Å; N130-Q137 PolarHBondContact O-N 2.9Å; A133-Q137 HydrophobicContact CB-CB 4.42Å; A133-Q137 HydrophobicContact CB-CG 4.15Å; P135-Q137 WeakPolarHBondContact O-CG 3.1Å; Q137-V139 PolarHBondContact O-N 2.83Å
138R87.4Confident83.6Confident99 Ų9983 Ų8337%0.37444%0.436SS..EExtended strand (participates in β ladder)trans-65.8127.7164.8172.8175.974.9-160.43.1109.9C92 D94 F102C92-R138 WeakPolarHBondContact O-CD 3.49Å; D94-R138 PolarHBondContact O-NH1 2.03Å; F102-R138 HydrophobicContact CD2-CB 4.32Å; F102-R138 HydrophobicContact CE1-CB 4.43Å; F102-R138 HydrophobicContact CE2-CB 3.62Å; F102-R138 HydrophobicContact CZ-CB 3.7Å
139V86.3Confident83.2Confident40 Ų4083.1 Ų83.124%0.24244%0.437CS..EExtended strand (participates in β ladder)trans-100.2119.8165.9-178.30000107.7S128 N130 Q137 K141S128-V139 PolarHBondContact N-O 3.24Å; S128-V139 WeakPolarHBondContact O-CA 3.35Å; S128-V139 WeakPolarHBondContact O-CB 3.31Å; S128-V139 PolarHBondContact O-N 2.78Å; S128-V139 WeakPolarHBondContact OG-CB 3.24Å; N130-V139 HydrophobicContact CB-CG2 3.9Å; Q137-V139 PolarHBondContact O-N 2.83Å; V139-K141 HydrophobicContact CG1-CD 4.46Å; V139-K141 HydrophobicContact CG1-CG 4.21Å
140F86.3Confident82.8Confident95 Ų9589.2 Ų89.242%0.41747%0.468SS..EExtended strand (participates in β ladder)trans-114.1123.6175.1167.1-92.3000108.4A75 V125 Y127 L142A75-F140 HydrophobicContact CB-CZ 4.29Å; V125-F140 HydrophobicContact CB-CE2 4.46Å; V125-F140 HydrophobicContact CG1-CD2 3.62Å; V125-F140 HydrophobicContact CG1-CE2 3.3Å; V125-F140 HydrophobicContact CG1-CZ 4.19Å; V125-F140 HydrophobicContact CG2-CE2 4.31Å; Y127-F140 HydrophobicContact CD1-CD2 4.28Å; Y127-F140 AromaticContact CE1-CD2 3.56Å; Y127-F140 HydrophobicContact CE1-CD2 3.56Å; Y127-F140 HydrophobicContact CE1-CE2 4.25Å; Y127-F140 AromaticContact CZ-CD2 3.87Å; F140-L142 HydrophobicContact CE1-CB 4.49Å
141K86.3Confident82.5Confident127 Ų12794.8 Ų94.855%0.55249%0.49SS*.EExtended strand (participates in β ladder)trans-131.1118.1175.3-69.3-176.8-179.3179.60110.4V125 I126 V139 V143V125-K141 WeakPolarHBondContact CA-O 3.34Å; I126-K141 PolarHBondContact N-O 3.33Å; I126-K141 PolarHBondContact O-N 3.08Å; V139-K141 HydrophobicContact CG1-CD 4.46Å; V139-K141 HydrophobicContact CG1-CG 4.21Å; K141-V143 HydrophobicContact CB-CG1 4.25Å
142L84.7Confident82.3Confident88 Ų8891.4 Ų91.446%0.46148%0.478SS..EExtended strand (participates in β ladder)trans-85.2118165.3-174.769.7000108.1K123 A124 V125 F140K123-L142 HydrophobicContact CB-CD1 4.29Å; A124-L142 WeakPolarHBondContact O-CA 3.24Å; V125-L142 HydrophobicContact CG2-CD1 3.53Å; F140-L142 HydrophobicContact CE1-CB 4.49Å
143V85.3Confident81.8Confident51 Ų5188.1 Ų88.131%0.30946%0.455SS..EExtended strand (participates in β ladder)trans-122.9148.5-179.4-59.40000110.3A124 I126 K141A124-V143 HydrophobicContact CB-CG2 3.9Å; A124-V143 PolarHBondContact N-O 3.14Å; A124-V143 PolarHBondContact O-N 3.3Å; I126-V143 HydrophobicContact CD1-CG1 4.43Å; I126-V143 HydrophobicContact CD1-CG2 3.82Å; I126-V143 HydrophobicContact CG1-CG2 4.18Å; K141-V143 HydrophobicContact CB-CG1 4.25Å
144E82.8Confident81.5Confident140 Ų14094.6 Ų94.665%0.65448%0.482SS*.EExtended strand (participates in β ladder)trans-87.2118162.7-79-167.8-178.800108.8S121 Q122S121-E144 PolarHBondContact OG-OE2 2.04Å; Q122-E144 CarbonylContact O-C 3.18Å; Q122-E144 WeakPolarHBondContact O-CA 3.25Å
145Q79.8Confident81Confident89 Ų8993.5 Ų93.542%0.41648%0.475SS..EExtended strand (participates in β ladder)trans-97.1127.5175.6-172.51731.600108.9Q122 A124Q122-Q145 HydrophobicContact CG-CB 3.95Å; Q122-Q145 WeakPolarHBondContact CG-O 3.07Å; Q122-Q145 PolarHBondContact N-O 3.07Å; Q122-Q145 PolarHBondContact O-N 3.47Å; A124-Q145 HydrophobicContact CB-CB 4.24Å
146I82.4Confident80.5Confident137 Ų13792.5 Ų92.570%0.70347%0.467SS*.EExtended strand (participates in β ladder)trans-89.9126.8178.8-59174.5000108.3C120C120-I146 VanDerWaalsContact O-CA 3.31Å; C120-I146 WeakPolarHBondContact O-CA 3.27Å
147S77.9Confident79.6Confident21 Ų2197.4 Ų97.415%0.14749%0.493CS..PPolyproline II helixtrans-73.8129175.1-175.90000109.6S117 F119 C120 S149S117-S147 PolarHBondContact O-OG 2.62Å; F119-S147 WeakPolarHBondContact O-CB 3.18Å; C120-S147 PolarHBondContact O-N 3.02Å; S147-S149 PolarHBondContact O-N 3.1Å; S147-S149 PolarHBondContact OG-N 2.93Å
148P78.8Confident78.9Confident131 Ų13197.4 Ų97.485%0.85149%0.489SS*.  trans-74.6-4.6176.631.5-35.2000112.7I150P148-I150 PolarHBondContact O-N 3.34Å
149S77.1Confident77.8Confident53 Ų53100.4 Ų100.437%0.37151%0.505SS..  trans-72.9126.1-178.7-177.50000111.3S147 F151 C152S147-S149 PolarHBondContact O-N 3.1Å; S147-S149 PolarHBondContact OG-N 2.93Å; S149-F151 PolarHBondContact O-N 3.42Å; S149-F151 PolarHBondContact OG-N 3.16Å; S149-C152 VanDerWaalsContact O-CB 3.27Å; S149-C152 WeakPolarHBondContact O-CB 3.07Å; S149-C152 PolarHBondContact O-N 3.04Å; S149-C152 PolarHBondContact O-SG 3.16Å
150I78.8Confident76.9Confident149 Ų149102 Ų10276%0.76452%0.516SS*.THydrogen-bonded Turntrans-66.9-16.1171.960.3169.1000113.2P148P148-I150 PolarHBondContact O-N 3.34Å
151F79.1Confident75.8Confident177 Ų177100.1 Ų100.178%0.77652%0.518SS*.THydrogen-bonded Turntrans-99.418.8177.1-61.9-67.2000112.4S149S149-F151 PolarHBondContact O-N 3.42Å; S149-F151 PolarHBondContact OG-N 3.16Å
152C80.1Confident74.9Confident32 Ų3296 Ų9622%0.21650%0.502CS..  trans-65.4147.1177.765.30000111.7Q118 C120 S149Q118-C152 CarbonylContact O-C 3.57Å; Q118-C152 WeakPolarHBondContact O-CA 3.47Å; C120-C152 WeakPolarHBondContact CA-SG 2.92Å; C120-C152 HydrophobicContact CB-CB 3.86Å; C120-C152 WeakPolarHBondContact CB-SG 3.01Å; C120-C152 WeakPolarHBondContact SG-CB 3.33Å; C120-C152 PolarHBondContact SG-O 3.29Å; C120-C152 CovalentContact SG-SG 2.03Å; C120-C152 PolarHBondContact SG-SG 3.49Å; S149-C152 VanDerWaalsContact O-CB 3.27Å; S149-C152 WeakPolarHBondContact O-CB 3.07Å; S149-C152 PolarHBondContact O-N 3.04Å; S149-C152 PolarHBondContact O-SG 3.16Å
153I74.9Confident74Confident56 Ų5694.4 Ų94.429%0.28750%0.498SS..BIsolated β-bridgetrans-81118.6178.1-56.4174.9000107.4Q118 F119 C120Q118-I153 HydrophobicContact CB-CD1 3.91Å; Q118-I153 HydrophobicContact CB-CG1 4.34Å; Q118-I153 PolarHBondContact O-N 2.03Å; F119-I153 CarbonylContact C-O 3.56Å; F119-I153 VanDerWaalsContact CA-O 3.25Å; F119-I153 WeakPolarHBondContact CA-O 3.49Å; F119-I153 HydrophobicContact CD1-CB 3.85Å; F119-I153 HydrophobicContact CD1-CG2 3.85Å; F119-I153 VanDerWaalsContact CD1-O 3.24Å; F119-I153 WeakPolarHBondContact CD1-O 3.46Å; F119-I153 HydrophobicContact CE1-CB 4Å; F119-I153 HydrophobicContact CE1-CG2 3.57Å; C120-I153 PolarHBondContact N-O 3.24Å
154H74.2Confident73.2Confident156 Ų15693.9 Ų93.972%0.72249%0.492SS*.SBendtrans-88-35175.9-168.7-91.1000111.9
155I69.5Low72.3Confident132 Ų13293 Ų9368%0.67749%0.49SS*.  trans-140.9123.4-179.9-57.3176.6000108
156T69.1Low71.3Confident43 Ų4391.9 Ų91.926%0.26449%0.487SS..  trans-91.7118.3165.2176.50000109.9F119 Y158 L162F119-T156 HydrophobicContact CE1-CG2 3.78Å; F119-T156 HydrophobicContact CZ-CG2 3.71Å; T156-Y158 VanDerWaalsContact C-N 3.35Å; T156-Y158 PolarHBondContact OG1-N 3.2Å; T156-L162 HydrophobicContact CG2-CD1 3.84Å
157N66.4Low70.1Confident116 Ų11688.6 Ų88.662%0.6247%0.474SS*.SBendtrans-92.31172.263.9-17.7000112.5
158Y68.9Low69.2Low114 Ų11494.4 Ų94.445%0.44750%0.499SS..  trans-132.475.5-179.4-171-126.1000111.1T156 P160 A161T156-Y158 VanDerWaalsContact C-N 3.35Å; T156-Y158 PolarHBondContact OG1-N 3.2Å; Y158-P160 VanDerWaalsContact C-N 3.33Å; Y158-P160 HydrophobicContact CD2-CG 4.29Å; Y158-P160 HydrophobicContact CE2-CB 3.99Å; Y158-P160 HydrophobicContact CE2-CG 3.91Å; Y158-A161 HydrophobicContact CD1-CB 3.26Å; Y158-A161 HydrophobicContact CE1-CB 3.56Å; Y158-A161 HydrophobicContact CG-CB 4.3Å; Y158-A161 PolarHBondContact O-N 3.27Å
159K65.3Low67.9Low161 Ų16193 Ų9370%0.749%0.488SS*.G310 helixtrans-54-36.8179.1-63-175.5179.4-177.70114.6A161 L162K159-A161 VanDerWaalsContact C-N 3.25Å; K159-A161 PolarHBondContact O-N 3.25Å; K159-L162 WeakPolarHBondContact O-CB 2.91Å; K159-L162 PolarHBondContact O-N 2.91Å
160P66.3Low66.8Low74 Ų7494.6 Ų94.648%0.48150%0.497SS..G310 helixtrans-61.3-25.7177.7-26.136.2000115.1Y158 L162 S163Y158-P160 VanDerWaalsContact C-N 3.33Å; Y158-P160 HydrophobicContact CD2-CG 4.29Å; Y158-P160 HydrophobicContact CE2-CB 3.99Å; Y158-P160 HydrophobicContact CE2-CG 3.91Å; P160-L162 PolarHBondContact O-N 2.98Å; P160-S163 PolarHBondContact O-N 2.86Å; P160-S163 PolarHBondContact O-OG 2.72Å
161A63.8Low66Low56 Ų5691.2 Ų91.246%0.46348%0.481SS..G310 helixtrans-68.4-12.2174.100000114Y158 K159 S163Y158-A161 HydrophobicContact CD1-CB 3.26Å; Y158-A161 HydrophobicContact CE1-CB 3.56Å; Y158-A161 HydrophobicContact CG-CB 4.3Å; Y158-A161 PolarHBondContact O-N 3.27Å; K159-A161 VanDerWaalsContact C-N 3.25Å; K159-A161 PolarHBondContact O-N 3.25Å; A161-S163 PolarHBondContact O-N 2.74Å
162L68.3Low65.3Low41 Ų4192 Ų9222%0.21549%0.486CS..G310 helixtrans-86.26.7177.8-55.8178.9000112.4F119 T156 K159 P160 S523 L524F119-L162 HydrophobicContact CE2-CD1 4.35Å; F119-L162 HydrophobicContact CE2-CD2 4.34Å; F119-L162 HydrophobicContact CZ-CD1 3.99Å; F119-L162 HydrophobicContact CZ-CD2 4.09Å; T156-L162 HydrophobicContact CG2-CD1 3.84Å; K159-L162 WeakPolarHBondContact O-CB 2.91Å; K159-L162 PolarHBondContact O-N 2.91Å; P160-L162 PolarHBondContact O-N 2.98Å; L162-S523 CarbonylContact O-C 3.56Å; L162-S523 WeakPolarHBondContact O-CA 3.44Å; L162-S523 PolarHBondContact O-OG 3.26Å; L162-L524 PolarHBondContact O-N 3.17Å
163S65.6Low64.9Low53 Ų5397.5 Ų97.537%0.37151%0.514SS..BIsolated β-bridgetrans-135.4147.6179.450.40000111.2P160 A161 G522P160-S163 PolarHBondContact O-N 2.86Å; P160-S163 PolarHBondContact O-OG 2.72Å; A161-S163 PolarHBondContact O-N 2.74Å; S163-G522 CarbonylContact C-O 3.55Å; S163-G522 VanDerWaalsContact CA-O 3.29Å; S163-G522 WeakPolarHBondContact CA-O 3.48Å; S163-G522 WeakPolarHBondContact CB-O 3.41Å
164F67.8Low64.5Low41 Ų4196 Ų9618%0.1851%0.507CS..PPolyproline II helixtrans-62.6137169.1-69.3-84.9000109.7N166 K520 G522 L524 P527F164-N166 PolarHBondContact O-N 3.49Å; F164-K520 WeakPolarHBondContact CB-O 3.34Å; F164-K520 HydrophobicContact CD1-CB 3.66Å; F164-K520 HydrophobicContact CD1-CD 4.5Å; F164-K520 HydrophobicContact CD2-CB 3.93Å; F164-K520 HydrophobicContact CE1-CB 3.64Å; F164-K520 HydrophobicContact CE1-CD 3.65Å; F164-K520 HydrophobicContact CE1-CG 4.28Å; F164-K520 HydrophobicContact CE2-CB 3.92Å; F164-K520 HydrophobicContact CE2-CD 4.41Å; F164-K520 HydrophobicContact CG-CB 3.81Å; F164-K520 WeakPolarHBondContact CG-O 3.21Å; F164-K520 HydrophobicContact CZ-CB 3.77Å; F164-K520 HydrophobicContact CZ-CD 3.6Å; F164-K520 HydrophobicContact CZ-CG 4.28Å; F164-G522 WeakPolarHBondContact CD2-O 3.27Å; F164-G522 PolarHBondContact N-O 3.38Å; F164-L524 HydrophobicContact CE1-CD1 4.11Å; F164-L524 HydrophobicContact CE2-CD1 3.92Å; F164-L524 HydrophobicContact CZ-CD1 3.59Å; F164-P527 HydrophobicContact CD2-CB 4.37Å; F164-P527 HydrophobicContact CE2-CB 3.52Å; F164-P527 HydrophobicContact CE2-CG 4.4Å; F164-P527 HydrophobicContact CZ-CB 3.95Å
165I63.8Low64.2Low120 Ų12093.7 Ų93.762%0.61550%0.495SS*.PPolyproline II helixtrans-65.6118.9174.4-57.9172.8000106.8
166N59.1Low64.2Low66 Ų6692.5 Ų92.535%0.35349%0.49SS..PPolyproline II helixtrans-65.9138.4171.9-68.8-26.2000108.5F164 E168 Y521F164-N166 PolarHBondContact O-N 3.49Å; N166-E168 PolarHBondContact O-N 3.48Å; N166-Y521 WeakPolarHBondContact OD1-CD2 3.31Å; N166-Y521 WeakPolarHBondContact OD1-CE2 3.47Å
167P57.8Low64.3Low68 Ų6894.8 Ų94.844%0.44250%0.504SS..PPolyproline II helixtrans-53.3130.2168.98.7-12.5000108.8V169P167-V169 PolarHBondContact O-N 3.32Å
168E57.9Low64.2Low143 Ų14391.5 Ų91.567%0.66849%0.486SS*.PPolyproline II helixtrans-55.8126.5178.1-91.6178.2155.600109.1N166 L178N166-E168 PolarHBondContact O-N 3.48Å; E168-L178 HydrophobicContact CB-CD1 4.35Å; E168-L178 HydrophobicContact CB-CD2 4.13Å
169V52.6Low63.6Low103 Ų10389.4 Ų89.462%0.62448%0.481SS*.PPolyproline II helixtrans-81.3130.2177.3-177.80000107.2P167 D171 N174P167-V169 PolarHBondContact O-N 3.32Å; V169-D171 PolarHBondContact O-N 2.85Å; V169-N174 PolarHBondContact O-ND2 2.78Å
170P52.8Low63.3Low85 Ų8589.9 Ų89.955%0.55248%0.483SS*.PPolyproline II helixtrans-56.6122.5174.8-23.332.9000111.2N174 F175 L178P170-N174 VanDerWaalsContact CA-OD1 3.25Å; P170-N174 WeakPolarHBondContact CA-OD1 3.42Å; P170-F175 HydrophobicContact CB-CD2 4.21Å; P170-L178 HydrophobicContact CB-CD1 4.31Å; P170-L178 HydrophobicContact CG-CD1 4.18Å
171D62.3Low62.7Low79 Ų7991.5 Ų91.542%0.42249%0.492SS..  trans-125.2168.4169.270.936.1000109.1V169 N173 N174 F175V169-D171 PolarHBondContact O-N 2.85Å; D171-N173 PolarHBondContact O-N 2.94Å; D171-N173 WeakPolarHBondContact OD1-CA 3.05Å; D171-N173 WeakPolarHBondContact OD1-CB 2.79Å; D171-N173 PolarHBondContact OD1-N 3.15Å; D171-N174 VanDerWaalsContact CG-CG 3.49Å; D171-N174 VanDerWaalsContact CG-ND2 3.29Å; D171-N174 PolarHBondContact N-OD1 3.27Å; D171-N174 PolarHBondContact O-N 3.47Å; D171-N174 PolarHBondContact O-OD1 3.21Å; D171-N174 VanDerWaalsContact OD1-CG 3.23Å; D171-N174 PolarHBondContact OD1-N 3.03Å; D171-N174 PolarHBondContact OD1-ND2 3.46Å; D171-N174 PolarHBondContact OD2-ND2 3.16Å; D171-F175 VanDerWaalsContact O-CB 3.26Å; D171-F175 WeakPolarHBondContact O-CB 3.45Å; D171-F175 PolarHBondContact O-N 3.06Å
172E65.3Low61.9Low192 Ų19290.6 Ų90.690%0.89748%0.482SS*.THydrogen-bonded Turntrans-60.3-20.7-175.7-63.8-135.7165.300114.1
173N71.1Confident60.6Low149 Ų14997 Ų9780%0.79752%0.517SS*.THydrogen-bonded Turntrans-93-27.1-178.3-58.9-51.3000112.7D171D171-N173 PolarHBondContact O-N 2.94Å; D171-N173 WeakPolarHBondContact OD1-CA 3.05Å; D171-N173 WeakPolarHBondContact OD1-CB 2.79Å; D171-N173 PolarHBondContact OD1-N 3.15Å
174N67.8Low59.6Low25 Ų2597.6 Ų97.613%0.13453%0.531CS..THydrogen-bonded Turntrans-105.1-12.9-176.874.122.1000113V169 P170 D171 D176 T177 L178V169-N174 PolarHBondContact O-ND2 2.78Å; P170-N174 VanDerWaalsContact CA-OD1 3.25Å; P170-N174 WeakPolarHBondContact CA-OD1 3.42Å; D171-N174 VanDerWaalsContact CG-CG 3.49Å; D171-N174 VanDerWaalsContact CG-ND2 3.29Å; D171-N174 PolarHBondContact N-OD1 3.27Å; D171-N174 PolarHBondContact O-N 3.47Å; D171-N174 PolarHBondContact O-OD1 3.21Å; D171-N174 VanDerWaalsContact OD1-CG 3.23Å; D171-N174 PolarHBondContact OD1-N 3.03Å; D171-N174 PolarHBondContact OD1-ND2 3.46Å; D171-N174 PolarHBondContact OD2-ND2 3.16Å; N174-D176 PolarHBondContact O-N 2.95Å; N174-T177 PolarHBondContact O-N 3.4Å; N174-L178 HydrophobicContact CB-CD1 4.32Å; N174-L178 WeakPolarHBondContact O-CG 3.18Å; N174-L178 PolarHBondContact O-N 2.91Å; N174-L178 VanDerWaalsContact OD1-CD1 3.26Å; N174-L178 WeakPolarHBondContact OD1-CD1 3.32Å
175F66.3Low58Low106 Ų106102.2 Ų102.247%0.46555%0.551SS.*Hα-helixtrans-52.9-52.2-176.4-176.8-93.8000112.4P170 D171 T177 L178 M179P170-F175 HydrophobicContact CB-CD2 4.21Å; D171-F175 VanDerWaalsContact O-CB 3.26Å; D171-F175 WeakPolarHBondContact O-CB 3.45Å; D171-F175 PolarHBondContact O-N 3.06Å; F175-T177 PolarHBondContact O-N 2.76Å; F175-L178 PolarHBondContact O-N 2.9Å; F175-M179 VanDerWaalsContact O-CB 3.24Å; F175-M179 WeakPolarHBondContact O-CB 3.04Å; F175-M179 PolarHBondContact O-N 2.6Å
176D71.1Confident56.5Low107 Ų107102.1 Ų102.157%0.57256%0.556SS**Hα-helixtrans-63-30.3-179-74.1-21.6000112.9N174 K180N174-D176 PolarHBondContact O-N 2.95Å; D176-K180 WeakPolarHBondContact O-CD 3.33Å; D176-K180 VanDerWaalsContact O-CG 3.23Å; D176-K180 WeakPolarHBondContact O-CG 3.5Å; D176-K180 PolarHBondContact O-N 3.1Å
177T70.6Confident55.4Low91 Ų91105.6 Ų105.656%0.55857%0.574SS**Hα-helixtrans-79.9-44.3-179.7-480000110.4N174 F175 M179 K180 T181N174-T177 PolarHBondContact O-N 3.4Å; F175-T177 PolarHBondContact O-N 2.76Å; T177-M179 VanDerWaalsContact C-N 3.33Å; T177-M179 PolarHBondContact O-N 2.97Å; T177-K180 PolarHBondContact O-N 2.95Å; T177-T181 PolarHBondContact O-N 2.89Å; T177-T181 PolarHBondContact O-OG1 3.45Å
178L63.7Low54.2Low47 Ų47109 Ų10925%0.24659%0.589CS.*Hα-helixtrans-62.4-41.3174.7-69.4173.2000111.1E168 P170 N174 F175 K180 T181 S182E168-L178 HydrophobicContact CB-CD1 4.35Å; E168-L178 HydrophobicContact CB-CD2 4.13Å; P170-L178 HydrophobicContact CB-CD1 4.31Å; P170-L178 HydrophobicContact CG-CD1 4.18Å; N174-L178 HydrophobicContact CB-CD1 4.32Å; N174-L178 WeakPolarHBondContact O-CG 3.18Å; N174-L178 PolarHBondContact O-N 2.91Å; N174-L178 VanDerWaalsContact OD1-CD1 3.26Å; N174-L178 WeakPolarHBondContact OD1-CD1 3.32Å; F175-L178 PolarHBondContact O-N 2.9Å; L178-K180 VanDerWaalsContact C-N 3.31Å; L178-K180 PolarHBondContact O-N 3.09Å; L178-T181 PolarHBondContact O-N 3.14Å; L178-T181 VanDerWaalsContact O-N 3.14Å; L178-S182 PolarHBondContact O-N 3.27Å; L178-S182 VanDerWaalsContact O-N 3.07Å; L178-S182 PolarHBondContact O-OG 3.4Å; L178-S182 VanDerWaalsContact O-OG 3.12Å
179M56.2Low53Low71 Ų71106.4 Ų106.435%0.3559%0.591SS.*Hα-helixtrans-65.5-32179.2-16063.2177.300112.9F175 T177 S182 F185 L187F175-M179 VanDerWaalsContact O-CB 3.24Å; F175-M179 WeakPolarHBondContact O-CB 3.04Å; F175-M179 PolarHBondContact O-N 2.6Å; T177-M179 VanDerWaalsContact C-N 3.33Å; T177-M179 PolarHBondContact O-N 2.97Å; M179-S182 PolarHBondContact O-OG 3.49Å; M179-S182 VanDerWaalsContact O-OG 3.06Å; M179-F185 HydrophobicContact SD-CD2 4.49Å; M179-L187 HydrophobicContact CE-CD1 3.77Å; M179-L187 HydrophobicContact CE-CD2 4.07Å; M179-L187 HydrophobicContact CE-CG 4.08Å
180K60Low52.2Low171 Ų171110.8 Ų110.874%0.74361%0.605SS**Hα-helixtrans-75.8-25.5174.3-75.8171-174.4170.10113.6D176 T177 L178D176-K180 WeakPolarHBondContact O-CD 3.33Å; D176-K180 VanDerWaalsContact O-CG 3.23Å; D176-K180 WeakPolarHBondContact O-CG 3.5Å; D176-K180 PolarHBondContact O-N 3.1Å; T177-K180 PolarHBondContact O-N 2.95Å; L178-K180 VanDerWaalsContact C-N 3.31Å; L178-K180 PolarHBondContact O-N 3.09Å
181T52.8Low51.1Low108 Ų108111.6 Ų111.666%0.66361%0.613SS**Hα-helixtrans-90.4-21.3-176.2-44.30000111.8T177 L178 D183T177-T181 PolarHBondContact O-N 2.89Å; T177-T181 PolarHBondContact O-OG1 3.45Å; L178-T181 PolarHBondContact O-N 3.14Å; L178-T181 VanDerWaalsContact O-N 3.14Å; T181-D183 PolarHBondContact O-N 2.04Å; T181-D183 VanDerWaalsContact O-N 3.16Å
182S48.1Very low49.7Very low37 Ų37115.3 Ų115.326%0.25963%0.633SS.*  trans-80.190.117751.30000112.7L178 M179 G184 F185L178-S182 PolarHBondContact O-N 3.27Å; L178-S182 VanDerWaalsContact O-N 3.07Å; L178-S182 PolarHBondContact O-OG 3.4Å; L178-S182 VanDerWaalsContact O-OG 3.12Å; M179-S182 PolarHBondContact O-OG 3.49Å; M179-S182 VanDerWaalsContact O-OG 3.06Å; S182-G184 PolarHBondContact O-N 3.37Å; S182-F185 VanDerWaalsContact CB-CD2 3.47Å; S182-F185 VanDerWaalsContact CB-CE2 3.45Å; S182-F185 WeakPolarHBondContact OG-CD2 3.06Å
183D40.6Very low48Very low175 Ų175112.5 Ų112.594%0.93662%0.623SS**THydrogen-bonded Turntrans-71.256.5168.7-84.9-30.2000112.4T181T181-D183 PolarHBondContact O-N 2.04Å; T181-D183 VanDerWaalsContact O-N 3.16Å
184G43.3Very low45.9Very low65 Ų65110.1 Ų110.167%0.6762%0.618SS**THydrogen-bonded Turntrans179.710-176.200000119.8S182 T186S182-G184 PolarHBondContact O-N 3.37Å; G184-T186 PolarHBondContact O-N 2.77Å
185F35.4Very low44Very low139 Ų139117.5 Ų117.561%0.6165%0.649SS**  trans-88.794.6165.8-67.2-73.9000109M179 S182 L187M179-F185 HydrophobicContact SD-CD2 4.49Å; S182-F185 VanDerWaalsContact CB-CD2 3.47Å; S182-F185 VanDerWaalsContact CB-CE2 3.45Å; S182-F185 WeakPolarHBondContact OG-CD2 3.06Å; F185-L187 PolarHBondContact O-N 3.37Å
186T32.8Very low42.2Very low118 Ų118118.5 Ų118.572%0.72466%0.664SS**  trans-64.894.8155.743.70000107.1G184 N188G184-T186 PolarHBondContact O-N 2.77Å; T186-N188 PolarHBondContact O-N 3.17Å
187L34.8Very low40.3Very low138 Ų138120.2 Ų120.272%0.72368%0.678SS**  trans-62.983.1164.2-71.3168000107.6M179 F185 A189M179-L187 HydrophobicContact CE-CD1 3.77Å; M179-L187 HydrophobicContact CE-CD2 4.07Å; M179-L187 HydrophobicContact CE-CG 4.08Å; F185-L187 PolarHBondContact O-N 3.37Å; L187-A189 VanDerWaalsContact C-N 3.29Å; L187-A189 PolarHBondContact O-N 2.95Å; L187-A189 VanDerWaalsContact O-N 3.14Å
188N33.2Very low38.3Very low140 Ų140125 Ų12575%0.74969%0.691SS**  trans-72.9101.9153.9-69.8-22.8000104.4T186 E190T186-N188 PolarHBondContact O-N 3.17Å; N188-E190 PolarHBondContact O-N 3.39Å
189A32.5Very low36.8Very low88 Ų88130.4 Ų130.473%0.72772%0.719SS**  trans-40.2128.9168.700000108.6L187 S191L187-A189 VanDerWaalsContact C-N 3.29Å; L187-A189 PolarHBondContact O-N 2.95Å; L187-A189 VanDerWaalsContact O-N 3.14Å; A189-S191 VanDerWaalsContact C-N 3.27Å; A189-S191 PolarHBondContact O-N 3.33Å
190E35.2Very low35.7Very low196 Ų196134.6 Ų134.692%0.91674%0.743SS**  trans-49.897.2169.8-75.5174.5139.400107.8N188 D192N188-E190 PolarHBondContact O-N 3.39Å; E190-D192 PolarHBondContact O-N 2.85Å
191S30.9Very low34.2Very low102 Ų102133.6 Ų133.671%0.71374%0.744SS**  trans-72.5111.3165.455.40000105.1A189 I193A189-S191 VanDerWaalsContact C-N 3.27Å; A189-S191 PolarHBondContact O-N 3.33Å; S191-I193 PolarHBondContact O-N 3.39Å
192D31.8Very low33.6Very low157 Ų157133.7 Ų133.784%0.8475%0.747SS**  trans-28.7109.2170.5-81.1-44.6000110.6E190 S194E190-D192 PolarHBondContact O-N 2.85Å; D192-S194 PolarHBondContact O-N 3.41Å
193I29.7Very low33.3Very low133 Ų133137.3 Ų137.368%0.68277%0.768SS**  trans-69.589174.6-56.7172.2000105.4S191 F195S191-I193 PolarHBondContact O-N 3.39Å; I193-F195 VanDerWaalsContact C-N 3.28Å; I193-F195 HydrophobicContact CB-CE2 4.4Å; I193-F195 HydrophobicContact CG2-CD2 4.25Å; I193-F195 HydrophobicContact CG2-CE2 4.08Å; I193-F195 HydrophobicContact CG2-CZ 4.22Å; I193-F195 WeakPolarHBondContact O-CD2 3.36Å; I193-F195 PolarHBondContact O-N 3.24Å
194S26.5Very low33.4Very low99 Ų99134 Ų13469%0.69275%0.754SS**  trans-64.297.716460.80000106.7D192 T196D192-S194 PolarHBondContact O-N 3.41Å; S194-T196 VanDerWaalsContact C-N 3.32Å; S194-T196 PolarHBondContact O-N 2.84Å
195F29.4Very low34.4Very low180 Ų180133.6 Ų133.679%0.78975%0.745SS**  trans-58.598.8168.3-74.1-88.7000107.6I193 T197I193-F195 VanDerWaalsContact C-N 3.28Å; I193-F195 HydrophobicContact CB-CE2 4.4Å; I193-F195 HydrophobicContact CG2-CD2 4.25Å; I193-F195 HydrophobicContact CG2-CE2 4.08Å; I193-F195 HydrophobicContact CG2-CZ 4.22Å; I193-F195 WeakPolarHBondContact O-CD2 3.36Å; I193-F195 PolarHBondContact O-N 3.24Å; F195-T197 PolarHBondContact O-N 3.25Å; F195-T197 VanDerWaalsContact O-N 3.11Å
196T27Very low36.3Very low126 Ų126131.6 Ų131.677%0.77374%0.736SS**  trans-62.9115.6164.238.30000106.7S194 K198S194-T196 VanDerWaalsContact C-N 3.32Å; S194-T196 PolarHBondContact O-N 2.84Å; T196-K198 PolarHBondContact O-N 2.92Å
197T30.9Very low38.3Very low143 Ų143126.2 Ų126.288%0.87770%0.702SS**  trans-48.9103.8169.6100000108F195 L199F195-T197 PolarHBondContact O-N 3.25Å; F195-T197 VanDerWaalsContact O-N 3.11Å; T197-L199 PolarHBondContact O-N 2.03Å; T197-L199 VanDerWaalsContact O-N 3.13Å
198K30Very low39.7Very low193 Ų193125.8 Ų125.884%0.83969%0.694SS**  trans-67.3113.4172-127.3-179.1-176.8179.30106.3T196 D200T196-K198 PolarHBondContact O-N 2.92Å; K198-D200 PolarHBondContact O-N 2.75Å
199L32.1Very low41.4Very low159 Ų159121.8 Ų121.883%0.83267%0.669SS**PPolyproline II helixtrans-50.3130.2169-14385.8000109T197 I201T197-L199 PolarHBondContact O-N 2.03Å; T197-L199 VanDerWaalsContact O-N 3.13Å; L199-I201 PolarHBondContact O-N 3.3Å
200D32.5Very low42.4Very low160 Ų160119.1 Ų119.186%0.85665%0.65SS**PPolyproline II helixtrans-52.2116.2178.3-72.5-52.9000111.5K198K198-D200 PolarHBondContact O-N 2.75Å
201I29.2Very low44.4Very low149 Ų149112.3 Ų112.376%0.76462%0.622SS**PPolyproline II helixtrans-97.3127164.2-60170.2000106.4L199 T203L199-I201 PolarHBondContact O-N 3.3Å; I201-T203 PolarHBondContact O-N 2.95Å
202P38.8Very low47Very low110 Ų110109.9 Ų109.971%0.71460%0.604SS**PPolyproline II helixtrans-64.7127.5179.9-16.328.9000112.5
203T42Very low49.8Very low113 Ų113102.4 Ų102.469%0.69356%0.564SS**  trans51.390.214250.60000119.6I201I201-T203 PolarHBondContact O-N 2.95Å
204T43.3Very low52.8Low105 Ų10598.5 Ų98.564%0.64454%0.543SS*.  trans-89.3107.7134.252.20000107.9K206T204-K206 VanDerWaalsContact C-N 3.33Å; T204-K206 PolarHBondContact O-N 2.8Å
205A64.9Low55.8Low58 Ų5894.5 Ų94.548%0.47951%0.514SS..  trans-66.884.1-179.700000111.3A275A205-A275 HydrophobicContact CB-CB 4.38Å
206K75Confident58.3Low97 Ų9788.5 Ų88.542%0.42249%0.494SS..  trans-146.2144.517262.6177.9-178.9179.80110.8T204 K208 P276 R336T204-K206 VanDerWaalsContact C-N 3.33Å; T204-K206 PolarHBondContact O-N 2.8Å; K206-K208 PolarHBondContact O-N 3.15Å; K206-P276 WeakPolarHBondContact O-CG 3.14Å; K206-R336 WeakPolarHBondContact CB-O 3.48Å
207Y74.7Confident60.9Low5 Ų589.9 Ų89.92%0.0250%0.497CS..PPolyproline II helixtrans-69.7133.8169.3-74.9-77.2000109.3L213 Q214 F239 L273 A275 P276 G337 V339Y207-L213 HydrophobicContact CE1-CD2 4.32Å; Y207-L213 HydrophobicContact CE2-CD2 4.35Å; Y207-Q214 HydrophobicContact CE1-CG 4.44Å; Y207-Q214 PolarHBondContact OH-N 3.35Å; Y207-F239 VanDerWaalsContact CB-CG 3.43Å; Y207-F239 HydrophobicContact CD1-CB 4.39Å; Y207-F239 HydrophobicContact CG-CB 4.38Å; Y207-F239 HydrophobicContact CG-CD1 4.36Å; Y207-F239 HydrophobicContact CG-CD2 4.3Å; Y207-F239 HydrophobicContact CG-CG 4.11Å; Y207-F239 WeakPolarHBondContact O-CE1 3.4Å; Y207-L273 WeakPolarHBondContact CE2-O 3.33Å; Y207-L273 PolarHBondContact OH-O 3.19Å; Y207-A275 VanDerWaalsContact CE2-CA 3.49Å; Y207-P276 HydrophobicContact CD1-CG 3.74Å; Y207-P276 HydrophobicContact CD2-CG 4.49Å; Y207-P276 HydrophobicContact CE1-CG 3.96Å; Y207-P276 HydrophobicContact CG-CG 4.02Å; Y207-P276 VanDerWaalsContact N-CD 3.35Å; Y207-G337 PolarHBondContact N-O 3.2Å; Y207-V339 HydrophobicContact CD2-CG2 4.1Å; Y207-V339 HydrophobicContact CE2-CG2 4.13Å
208K64.9Low63.6Low128 Ų12885.3 Ų85.356%0.55747%0.471SS*.PPolyproline II helixtrans-100.1150.7171.1-61.5177.6-175.9173.40108K206 G210 V211K206-K208 PolarHBondContact O-N 3.15Å; K208-G210 PolarHBondContact O-N 2.83Å; K208-V211 HydrophobicContact CB-CG2 3.85Å; K208-V211 VanDerWaalsContact O-CB 3.32Å; K208-V211 WeakPolarHBondContact O-CB 3.42Å; K208-V211 WeakPolarHBondContact O-CG2 3.08Å; K208-V211 PolarHBondContact O-N 3.28Å; K208-V211 VanDerWaalsContact O-N 3.13Å
209Y68.2Low66.5Low57 Ų5779.2 Ų79.222%0.22444%0.444CS..THydrogen-bonded Turntrans-49.2137.6175176.4-81000110.8V211 F239 L240 V241 P394 I401Y209-V211 PolarHBondContact O-N 3.43Å; Y209-F239 WeakPolarHBondContact CA-O 3.15Å; Y209-L240 HydrophobicContact CD2-CB 3.57Å; Y209-L240 HydrophobicContact CE2-CB 4.23Å; Y209-L240 WeakPolarHBondContact CE2-O 3.38Å; Y209-L240 HydrophobicContact CG-CB 4.44Å; Y209-V241 HydrophobicContact CE1-CG2 4.07Å; Y209-V241 HydrophobicContact CE2-CG2 4.02Å; Y209-P394 HydrophobicContact CD1-CB 4.23Å; Y209-P394 HydrophobicContact CE1-CB 3.67Å; Y209-I401 HydrophobicContact CD1-CD1 3.22Å; Y209-I401 HydrophobicContact CD1-CG1 3.58Å; Y209-I401 HydrophobicContact CD2-CB 4.34Å; Y209-I401 HydrophobicContact CD2-CD1 4.11Å; Y209-I401 HydrophobicContact CD2-CG1 3.74Å; Y209-I401 HydrophobicContact CD2-CG2 3.8Å; Y209-I401 HydrophobicContact CE1-CD1 3.75Å; Y209-I401 HydrophobicContact CE1-CG1 3.7Å; Y209-I401 HydrophobicContact CE2-CG1 3.85Å; Y209-I401 HydrophobicContact CE2-CG2 4.45Å; Y209-I401 HydrophobicContact CG-CB 4.45Å; Y209-I401 HydrophobicContact CG-CD1 3.44Å; Y209-I401 VanDerWaalsContact CG-CD1 3.44Å; Y209-I401 HydrophobicContact CG-CG1 3.62Å; Y209-I401 HydrophobicContact CG-CG2 3.99Å
210G54.3Low69.4Low32 Ų3271.7 Ų71.733%0.3341%0.405SS..THydrogen-bonded Turntrans79.6-9.7175.900000114.6K208 F239K208-G210 PolarHBondContact O-N 2.83Å; G210-F239 PolarHBondContact N-O 3.37Å
211V77.1Confident72.2Confident53 Ų5368.7 Ų68.732%0.32138%0.382SS..PPolyproline II helixtrans-76.1132.8175.9178.70000109K208 Y209 L213 F239K208-V211 HydrophobicContact CB-CG2 3.85Å; K208-V211 VanDerWaalsContact O-CB 3.32Å; K208-V211 WeakPolarHBondContact O-CB 3.42Å; K208-V211 WeakPolarHBondContact O-CG2 3.08Å; K208-V211 PolarHBondContact O-N 3.28Å; K208-V211 VanDerWaalsContact O-N 3.13Å; Y209-V211 PolarHBondContact O-N 3.43Å; V211-L213 PolarHBondContact O-N 3.43Å; V211-F239 WeakPolarHBondContact O-CB 3.29Å; V211-F239 PolarHBondContact O-N 2.83Å
212P85.7Confident75.1Confident51 Ų5161.6 Ų61.633%0.33135%0.345SS..BIsolated β-bridgetrans-53.1131.5174.4-29.137000112.2Q214 F219 P236 A237P212-Q214 PolarHBondContact O-N 3.32Å; P212-F219 HydrophobicContact CB-CB 4.18Å; P212-P236 HydrophobicContact CB-CB 3.95Å; P212-P236 HydrophobicContact CG-CB 4.13Å; P212-P236 HydrophobicContact CG-CG 4.5Å; P212-A237 CarbonylContact C-O 3.6Å; P212-A237 WeakPolarHBondContact CA-O 3.2Å
213L90.1Very high77.6Confident0 Ų056.4 Ų56.40%031%0.311CS..PPolyproline II helixtrans-62.6119.8169.4-75.2167.6000108.7Y207 V211 F219 L220 A237 F239 I272 L331 V339 I364 F366Y207-L213 HydrophobicContact CE1-CD2 4.32Å; Y207-L213 HydrophobicContact CE2-CD2 4.35Å; V211-L213 PolarHBondContact O-N 3.43Å; L213-F219 CarbonylContact O-C 3.54Å; L213-F219 WeakPolarHBondContact O-CA 3.39Å; L213-F219 VanDerWaalsContact O-CB 3.27Å; L213-F219 WeakPolarHBondContact O-CB 3.38Å; L213-L220 HydrophobicContact CB-CB 3.9Å; L213-L220 HydrophobicContact CD1-CB 4.49Å; L213-L220 HydrophobicContact CD1-CD2 3.74Å; L213-L220 PolarHBondContact O-N 3.28Å; L213-A237 HydrophobicContact CD1-CB 4.12Å; L213-A237 PolarHBondContact N-O 3.31Å; L213-F239 HydrophobicContact CD2-CB 4.2Å; L213-F239 HydrophobicContact CD2-CD2 3.86Å; L213-F239 HydrophobicContact CD2-CG 4.48Å; L213-F239 HydrophobicContact CG-CB 4.43Å; L213-I272 HydrophobicContact CB-CG2 4.48Å; L213-I272 HydrophobicContact CD2-CG2 4.18Å; L213-L331 HydrophobicContact CD1-CD2 3.46Å; L213-L331 VanDerWaalsContact CD1-CD2 3.46Å; L213-L331 HydrophobicContact CD2-CD2 4.29Å; L213-V339 HydrophobicContact CD2-CG2 3.94Å; L213-I364 HydrophobicContact CD1-CD1 4.39Å; L213-F366 HydrophobicContact CD1-CE1 3.99Å; L213-F366 HydrophobicContact CD1-CZ 3.91Å
214Q91.3Very high79.7Confident51 Ų5151.4 Ų51.424%0.23828%0.281CS..BIsolated β-bridgetrans-82.1143.7-177.9-67.3178.7-2200110.6Y207 P212 L273 P276Y207-Q214 HydrophobicContact CE1-CG 4.44Å; Y207-Q214 PolarHBondContact OH-N 3.35Å; P212-Q214 PolarHBondContact O-N 3.32Å; Q214-L273 HydrophobicContact CB-CB 4.42Å; Q214-L273 HydrophobicContact CB-CD1 3.83Å; Q214-L273 HydrophobicContact CB-CG 4.15Å; Q214-L273 PolarHBondContact O-N 3.33Å; Q214-P276 VanDerWaalsContact OE1-CA 3.3Å
215T89.9Confident81.6Confident14 Ų1448.7 Ų48.79%0.08627%0.266CS..BIsolated β-bridgetrans-119.7172.8169.459.30000109D217 S218 F219 L220 P270 E271T215-D217 PolarHBondContact O-N 3.23Å; T215-D217 VanDerWaalsContact O-N 3.16Å; T215-S218 PolarHBondContact N-O 3.17Å; T215-S218 VanDerWaalsContact OG1-C 3.22Å; T215-S218 PolarHBondContact OG1-N 3.06Å; T215-F219 PolarHBondContact OG1-N 3.26Å; T215-F219 PolarHBondContact OG1-O 3.19Å; T215-L220 HydrophobicContact CG2-CB 4.24Å; T215-P270 HydrophobicContact CG2-CB 4.05Å; T215-E271 VanDerWaalsContact CA-O 3.29Å; T215-E271 WeakPolarHBondContact CA-O 3.27Å; T215-E271 WeakPolarHBondContact CB-O 3.41Å
216S82.6Confident81.9Confident54 Ų5450.8 Ų50.838%0.37827%0.269SS..SBendtrans-53.9-35.7-179.8-57.60000113.4K281S216-K281 WeakPolarHBondContact OG-CE 3.04Å; S216-K281 PolarHBondContact OG-NZ 2.81Å
217D80.9Confident81.6Confident156 Ų15653.4 Ų53.483%0.83429%0.293SS*.SBendtrans-108.9-19.6-171.9-51.6-48000113.1T215T215-D217 PolarHBondContact O-N 3.23Å; T215-D217 VanDerWaalsContact O-N 3.16Å
218S87.8Confident81.7Confident46 Ų4655.9 Ų55.932%0.32231%0.311SS..SBendtrans-169.1-107.4178.154.90000111.8T215T215-S218 PolarHBondContact N-O 3.17Å; T215-S218 VanDerWaalsContact OG1-C 3.22Å; T215-S218 PolarHBondContact OG1-N 3.06Å
219F91Very high82.5Confident66 Ų6653.8 Ų53.829%0.28931%0.313SS..BIsolated β-bridgetrans-137.1162.7179.948-99.2000109.9P212 L213 T215 R221 N234 P236P212-F219 HydrophobicContact CB-CB 4.18Å; L213-F219 CarbonylContact O-C 3.54Å; L213-F219 WeakPolarHBondContact O-CA 3.39Å; L213-F219 VanDerWaalsContact O-CB 3.27Å; L213-F219 WeakPolarHBondContact O-CB 3.38Å; T215-F219 PolarHBondContact OG1-N 3.26Å; T215-F219 PolarHBondContact OG1-O 3.19Å; F219-R221 HydrophobicContact CD2-CG 4.43Å; F219-R221 HydrophobicContact CE2-CG 4.3Å; F219-R221 PolarHBondContact O-N 3.18Å; F219-N234 WeakPolarHBondContact CE2-O 3.21Å; F219-N234 WeakPolarHBondContact CZ-O 3.38Å; F219-P236 HydrophobicContact CB-CB 4.4Å; F219-P236 HydrophobicContact CD2-CB 3.51Å; F219-P236 HydrophobicContact CE2-CB 3.78Å; F219-P236 HydrophobicContact CE2-CG 4.46Å; F219-P236 HydrophobicContact CG-CB 3.89Å; F219-P236 HydrophobicContact CZ-CB 4.4Å
220L93.2Very high83.4Confident1 Ų154.4 Ų54.41%0.00532%0.32CS..  trans-66.7118.6173.3-178.368.4000108.5L213 T215 A237 P270 I272 I284 Y329 I364L213-L220 HydrophobicContact CB-CB 3.9Å; L213-L220 HydrophobicContact CD1-CB 4.49Å; L213-L220 HydrophobicContact CD1-CD2 3.74Å; L213-L220 PolarHBondContact O-N 3.28Å; T215-L220 HydrophobicContact CG2-CB 4.24Å; L220-A237 HydrophobicContact CB-CB 4.02Å; L220-A237 HydrophobicContact CD2-CB 3.83Å; L220-A237 HydrophobicContact CG-CB 4.01Å; L220-A237 WeakPolarHBondContact O-CB 3.45Å; L220-A237 PolarHBondContact O-N 3Å; L220-P270 HydrophobicContact CD1-CB 4.37Å; L220-I272 HydrophobicContact CD1-CD1 4.31Å; L220-I272 HydrophobicContact CD1-CG1 4.38Å; L220-I272 HydrophobicContact CD2-CD1 3.84Å; L220-I284 HydrophobicContact CD1-CD1 3.9Å; L220-Y329 HydrophobicContact CD1-CE1 4.07Å; L220-Y329 HydrophobicContact CD2-CD1 4.35Å; L220-Y329 HydrophobicContact CD2-CE1 4.27Å; L220-I364 HydrophobicContact CD2-CD1 4.32Å
221R91.6Very high85Confident97 Ų9753.8 Ų53.837%0.36631%0.31SS..BIsolated β-bridgetrans-80.5126.5180-66.6-174.5-170.7-167.78109.9F219 D233 N234F219-R221 HydrophobicContact CD2-CG 4.43Å; F219-R221 HydrophobicContact CE2-CG 4.3Å; F219-R221 PolarHBondContact O-N 3.18Å; R221-D233 WeakPolarHBondContact CB-O 3.35Å; R221-N234 PolarHBondContact NH1-OD1 3.44Å
222F90.2Very high85.6Confident0 Ų053.9 Ų53.90%031%0.311CS..  trans-13298.1180-178.7-99.8000110S224 N235 A237 Q243 V245 Y329 F362 I364F222-S224 PolarHBondContact O-N 3.02Å; F222-N235 PolarHBondContact N-O 2.95Å; F222-N235 VanDerWaalsContact O-CB 3.27Å; F222-N235 WeakPolarHBondContact O-CB 3.26Å; F222-N235 PolarHBondContact O-ND2 3.12Å; F222-A237 HydrophobicContact CB-CB 3.82Å; F222-Q243 HydrophobicContact CE1-CB 3.89Å; F222-Q243 HydrophobicContact CZ-CB 4.14Å; F222-V245 HydrophobicContact CE1-CG2 4.06Å; F222-Y329 HydrophobicContact CD2-CD2 4.1Å; F222-Y329 HydrophobicContact CD2-CE2 4.28Å; F222-Y329 HydrophobicContact CE2-CD2 4.34Å; F222-F362 HydrophobicContact CD2-CB 4.43Å; F222-F362 HydrophobicContact CE1-CB 4.4Å; F222-F362 HydrophobicContact CE2-CB 3.7Å; F222-F362 HydrophobicContact CZ-CB 3.68Å; F222-I364 HydrophobicContact CD2-CB 4.21Å; F222-I364 HydrophobicContact CD2-CG2 4.16Å; F222-I364 HydrophobicContact CE1-CG2 4.29Å; F222-I364 HydrophobicContact CE2-CB 3.81Å; F222-I364 HydrophobicContact CE2-CG2 3.75Å; F222-I364 HydrophobicContact CZ-CB 4.33Å; F222-I364 HydrophobicContact CZ-CG2 3.82Å
223P91.8Very high85.8Confident0 Ų053 Ų530%030%0.303CS..  trans-58.1137-174.6-24.733.1000113.5T232 D233 Y267 F362P223-T232 WeakPolarHBondContact CA-O 3.37Å; P223-D233 HydrophobicContact CG-CB 4.39Å; P223-Y267 HydrophobicContact CG-CE1 3.76Å; P223-F362 HydrophobicContact CB-CD1 4.4Å; P223-F362 HydrophobicContact CB-CD2 4.02Å; P223-F362 HydrophobicContact CB-CE1 4.22Å; P223-F362 HydrophobicContact CB-CE2 3.79Å; P223-F362 HydrophobicContact CB-CG 4.33Å; P223-F362 HydrophobicContact CB-CZ 3.91Å; P223-F362 HydrophobicContact CG-CD1 4.2Å; P223-F362 HydrophobicContact CG-CE1 3.91Å; P223-F362 HydrophobicContact CG-CE2 4.36Å; P223-F362 HydrophobicContact CG-CZ 3.99Å
224S86.3Confident85.5Confident9 Ų957.5 Ų57.56%0.06333%0.327CS..EExtended strand (participates in β ladder)trans-148.8161.8178.468.40000112.7F222 T232 N235F222-S224 PolarHBondContact O-N 3.02Å; S224-T232 PolarHBondContact N-O 2.95Å; S224-T232 PolarHBondContact O-N 2.03Å; S224-N235 PolarHBondContact OG-ND2 3.47Å
225S82.3Confident85.3Confident47 Ų4756.4 Ų56.433%0.32932%0.323SS..EExtended strand (participates in β ladder)trans-84.1106.6168.255.90000108.9S228S225-S228 VanDerWaalsContact CB-O 3.26Å; S225-S228 WeakPolarHBondContact CB-O 3.36Å
226L71.4Confident85.3Confident103 Ų10357.9 Ų57.954%0.53933%0.333SS..SBendtrans-85.6-88.6179.5-65.2174.6000110.8T232L226-T232 HydrophobicContact CD1-CG2 4.01Å
227T67.7Low85.4Confident151 Ų15155.4 Ų55.493%0.92632%0.316SS*.SBendtrans-94.6-8.7-177.353.40000113.6
228S77.1Confident85.4Confident57 Ų5748.7 Ų48.740%0.39928%0.282SS..SBendtrans-139.6171.4178.973.10000109.9S225 L230S225-S228 VanDerWaalsContact CB-O 3.26Å; S225-S228 WeakPolarHBondContact CB-O 3.36Å; S228-L230 PolarHBondContact O-N 3.26Å; S228-L230 WeakPolarHBondContact OG-CB 3.43Å; S228-L230 PolarHBondContact OG-N 2.98Å
229S81.9Confident85.2Confident85 Ų8546.6 Ų46.659%0.59427%0.267SS*.SBendtrans-70.3-2.817355.60000113.8T248S229-T248 WeakPolarHBondContact O-CB 3.4Å; S229-T248 PolarHBondContact O-N 2.94Å; S229-T248 PolarHBondContact O-OG1 3.43Å
230L86.8Confident84.2Confident69 Ų6945.6 Ų45.636%0.36127%0.265SS..BIsolated β-bridgetrans-81141.1-179.5-64.2168.1000112.3S228 T232 T248 K250S228-L230 PolarHBondContact O-N 3.26Å; S228-L230 WeakPolarHBondContact OG-CB 3.43Å; S228-L230 PolarHBondContact OG-N 2.98Å; L230-T232 PolarHBondContact O-N 2.84Å; L230-T248 CarbonylContact C-O 3.52Å; L230-T248 WeakPolarHBondContact CA-O 3.46Å; L230-K250 HydrophobicContact CD2-CG 4.22Å
231C88.8Confident83.1Confident20 Ų2046.8 Ų46.814%0.13527%0.272CS..EExtended strand (participates in β ladder)trans-65.7129.3175.1-63.40000111.7C247 T248C231-C247 WeakPolarHBondContact CA-SG 3.14Å; C231-C247 HydrophobicContact CB-CB 3.9Å; C231-C247 WeakPolarHBondContact CB-SG 3.36Å; C231-C247 WeakPolarHBondContact SG-CB 3.02Å; C231-C247 CovalentContact SG-SG 2.03Å; C231-C247 PolarHBondContact SG-SG 2.8Å; C231-T248 PolarHBondContact N-O 2.89Å
232T89.4Confident82.1Confident55 Ų5546.4 Ų46.434%0.33728%0.277SS..EExtended strand (participates in β ladder)trans-112.2114.7168.3-56.20000109.3P223 S224 L226 L230P223-T232 WeakPolarHBondContact CA-O 3.37Å; S224-T232 PolarHBondContact N-O 2.95Å; S224-T232 PolarHBondContact O-N 2.03Å; L226-T232 HydrophobicContact CD1-CG2 4.01Å; L230-T232 PolarHBondContact O-N 2.84Å
233D88.8Confident81.2Confident31 Ų3148.7 Ų48.717%0.16629%0.288CS..THydrogen-bonded Turntrans-79.7-19.6-171.2-49.9-49.5000114.1R221 P223 N235 R249 F266R221-D233 WeakPolarHBondContact CB-O 3.35Å; P223-D233 HydrophobicContact CG-CB 4.39Å; D233-N235 PolarHBondContact O-N 2.79Å; D233-R249 IonicContact OD1-CZ 3.44Å; D233-R249 IonicContact OD1-NH1 3.56Å; D233-R249 PolarHBondContact OD1-NH1 2.66Å; D233-R249 IonicContact OD1-NH2 3.45Å; D233-R249 IonicContact OD2-CZ 2.76Å; D233-R249 IonicContact OD2-NH1 3.63Å; D233-R249 PolarHBondContact OD2-NH1 3.14Å; D233-R249 IonicContact OD2-NH2 3.5Å; D233-R249 PolarHBondContact OD2-NH2 3.02Å; D233-F266 HydrophobicContact CB-CE1 4.25Å; D233-F266 HydrophobicContact CB-CZ 3.89Å
234N85.3Confident80.7Confident95 Ų9552 Ų5251%0.50832%0.315SS..THydrogen-bonded Turntrans-85.816.8-177.5-70.3-24.2000113.9F219 R221F219-N234 WeakPolarHBondContact CE2-O 3.21Å; F219-N234 WeakPolarHBondContact CZ-O 3.38Å; R221-N234 PolarHBondContact NH1-OD1 3.44Å
235N86.6Confident80.5Confident28 Ų2852.8 Ų52.815%0.1532%0.319CS..PPolyproline II helixtrans-76.7125.3177.7172.957.4000110.3F222 S224 D233F222-N235 PolarHBondContact N-O 2.95Å; F222-N235 VanDerWaalsContact O-CB 3.27Å; F222-N235 WeakPolarHBondContact O-CB 3.26Å; F222-N235 PolarHBondContact O-ND2 3.12Å; S224-N235 PolarHBondContact OG-ND2 3.47Å; D233-N235 PolarHBondContact O-N 2.79Å
236P89.3Confident80.8Confident46 Ų4658 Ų5830%0.29933%0.332SS..BIsolated β-bridgetrans-73.4134.1-178.226.5-32.8000112.5P212 F219 A238P212-P236 HydrophobicContact CB-CB 3.95Å; P212-P236 HydrophobicContact CG-CB 4.13Å; P212-P236 HydrophobicContact CG-CG 4.5Å; F219-P236 HydrophobicContact CB-CB 4.4Å; F219-P236 HydrophobicContact CD2-CB 3.51Å; F219-P236 HydrophobicContact CE2-CB 3.78Å; F219-P236 HydrophobicContact CE2-CG 4.46Å; F219-P236 HydrophobicContact CG-CB 3.89Å; F219-P236 HydrophobicContact CZ-CB 4.4Å; P236-A238 PolarHBondContact O-N 2.91Å
237A85.8Confident81.7Confident1 Ų153.2 Ų53.21%0.00831%0.307CS..PPolyproline II helixtrans-73.1120.8168.200000109.9P212 L213 L220 F222 I364P212-A237 CarbonylContact C-O 3.6Å; P212-A237 WeakPolarHBondContact CA-O 3.2Å; L213-A237 HydrophobicContact CD1-CB 4.12Å; L213-A237 PolarHBondContact N-O 3.31Å; L220-A237 HydrophobicContact CB-CB 4.02Å; L220-A237 HydrophobicContact CD2-CB 3.83Å; L220-A237 HydrophobicContact CG-CB 4.01Å; L220-A237 WeakPolarHBondContact O-CB 3.45Å; L220-A237 PolarHBondContact O-N 3Å; F222-A237 HydrophobicContact CB-CB 3.82Å; A237-I364 HydrophobicContact CB-CD1 3.98Å
238A79.9Confident82.7Confident16 Ų1647.3 Ų47.313%0.13227%0.271CS..BIsolated β-bridgetrans-93.2135.1-179.500000111.5P236 L240 V241 F366P236-A238 PolarHBondContact O-N 2.91Å; A238-L240 PolarHBondContact O-N 3.45Å; A238-V241 HydrophobicContact CB-CB 4.05Å; A238-V241 HydrophobicContact CB-CG2 3.56Å; A238-V241 PolarHBondContact O-N 3.23Å; A238-F366 WeakPolarHBondContact O-CE2 3.28Å; A238-F366 VanDerWaalsContact O-CZ 3.31Å; A238-F366 WeakPolarHBondContact O-CZ 3.38Å
239F83.3Confident83.3Confident1 Ų146.4 Ų46.40%0.00426%0.259CS..THydrogen-bonded Turntrans-60.6133.8-179.7-177.4-113.7000111.7Y207 Y209 G210 V211 L213 V241 Y333 V339 F366Y207-F239 VanDerWaalsContact CB-CG 3.43Å; Y207-F239 HydrophobicContact CD1-CB 4.39Å; Y207-F239 HydrophobicContact CG-CB 4.38Å; Y207-F239 HydrophobicContact CG-CD1 4.36Å; Y207-F239 HydrophobicContact CG-CD2 4.3Å; Y207-F239 HydrophobicContact CG-CG 4.11Å; Y207-F239 WeakPolarHBondContact O-CE1 3.4Å; Y209-F239 WeakPolarHBondContact CA-O 3.15Å; G210-F239 PolarHBondContact N-O 3.37Å; V211-F239 WeakPolarHBondContact O-CB 3.29Å; V211-F239 PolarHBondContact O-N 2.83Å; L213-F239 HydrophobicContact CD2-CB 4.2Å; L213-F239 HydrophobicContact CD2-CD2 3.86Å; L213-F239 HydrophobicContact CD2-CG 4.48Å; L213-F239 HydrophobicContact CG-CB 4.43Å; F239-V241 PolarHBondContact O-N 3.33Å; F239-Y333 HydrophobicContact CE2-CG 4.15Å; F239-Y333 AromaticContact CZ-CD2 3.83Å; F239-Y333 HydrophobicContact CZ-CD2 3.83Å; F239-Y333 AromaticContact CZ-CG 3.91Å; F239-Y333 HydrophobicContact CZ-CG 3.91Å; F239-V339 HydrophobicContact CD2-CG2 4.21Å; F239-V339 HydrophobicContact CE2-CG2 3.88Å; F239-F366 HydrophobicContact CD2-CD1 4.05Å; F239-F366 AromaticContact CD2-CE1 3.7Å; F239-F366 HydrophobicContact CD2-CE1 3.7Å; F239-F366 HydrophobicContact CE2-CD1 4.21Å; F239-F366 HydrophobicContact CE2-CE1 4.28Å
240L70.1Confident83.5Confident45 Ų4550.2 Ų50.224%0.23626%0.264CS..THydrogen-bonded Turntrans61.613.1-176.8-57.4179.2000115.9Y209 A238 Y333 F366Y209-L240 HydrophobicContact CD2-CB 3.57Å; Y209-L240 HydrophobicContact CE2-CB 4.23Å; Y209-L240 WeakPolarHBondContact CE2-O 3.38Å; Y209-L240 HydrophobicContact CG-CB 4.44Å; A238-L240 PolarHBondContact O-N 3.45Å; L240-Y333 HydrophobicContact CD1-CE2 4.47Å; L240-Y333 HydrophobicContact CD2-CD1 3.78Å; L240-Y333 HydrophobicContact CD2-CD2 4.15Å; L240-Y333 HydrophobicContact CD2-CE1 3.3Å; L240-Y333 HydrophobicContact CD2-CE2 3.75Å; L240-Y333 HydrophobicContact CD2-CG 4.19Å; L240-F366 HydrophobicContact CD2-CB 3.84Å; L240-F366 HydrophobicContact CD2-CD1 4.27Å; L240-F366 HydrophobicContact CD2-CG 4.1Å
241V70.1Confident83.5Confident27 Ų2747.7 Ų47.716%0.16425%0.251CS..  trans-98.794.5172.9-167.80000108.2Y209 A238 F239 Q243Y209-V241 HydrophobicContact CE1-CG2 4.07Å; Y209-V241 HydrophobicContact CE2-CG2 4.02Å; A238-V241 HydrophobicContact CB-CB 4.05Å; A238-V241 HydrophobicContact CB-CG2 3.56Å; A238-V241 PolarHBondContact O-N 3.23Å; F239-V241 PolarHBondContact O-N 3.33Å; V241-Q243 HydrophobicContact CG1-CG 3.85Å; V241-Q243 VanDerWaalsContact CG1-NE2 3.26Å; V241-Q243 PolarHBondContact O-N 2.67Å
242N70.7Confident83.4Confident88 Ų8850.5 Ų50.547%0.47127%0.265SS..  trans-65.2129172.2-66-21.2000108.9I364 H365 F366N242-I364 VanDerWaalsContact CA-O 3.29Å; N242-I364 WeakPolarHBondContact CA-O 3.03Å; N242-H365 WeakPolarHBondContact OD1-CA 3.33Å; N242-F366 WeakPolarHBondContact OD1-CD2 3.03Å; N242-F366 PolarHBondContact OD1-N 3.19Å
243Q71.6Confident83.1Confident49 Ų4948.7 Ų48.723%0.22925%0.253CS..EExtended strand (participates in β ladder)trans-137.8143-177.4-60.6175.91700109.9F222 V241 V245 E363 I364F222-Q243 HydrophobicContact CE1-CB 3.89Å; F222-Q243 HydrophobicContact CZ-CB 4.14Å; V241-Q243 HydrophobicContact CG1-CG 3.85Å; V241-Q243 VanDerWaalsContact CG1-NE2 3.26Å; V241-Q243 PolarHBondContact O-N 2.67Å; Q243-V245 HydrophobicContact CB-CG2 4.4Å; Q243-E363 CarbonylContact O-C 3.45Å; Q243-E363 VanDerWaalsContact O-CA 3.24Å; Q243-E363 WeakPolarHBondContact O-CA 3.23Å; Q243-I364 HydrophobicContact CB-CG2 3.9Å; Q243-I364 HydrophobicContact CG-CG2 4.43Å; Q243-I364 PolarHBondContact N-O 3.14Å; Q243-I364 PolarHBondContact O-N 2.82Å
244A82.1Confident82.8Confident69 Ų6953.5 Ų53.557%0.5728%0.275SS*.EExtended strand (participates in β ladder)trans-133.8108.3169.300000107.6F362 E363A244-F362 CarbonylContact C-O 3.48Å; A244-F362 WeakPolarHBondContact CA-O 3.45Å; A244-E363 HydrophobicContact CB-CG 3.91Å
245V81.9Confident82.8Confident25 Ų2553.5 Ų53.515%0.15227%0.271CS..EExtended strand (participates in β ladder)trans-121.7143.8-171.7-175.60000109.8F222 Q243 K361 F362F222-V245 HydrophobicContact CE1-CG2 4.06Å; Q243-V245 HydrophobicContact CB-CG2 4.4Å; V245-K361 CarbonylContact O-C 3.53Å; V245-K361 WeakPolarHBondContact O-CA 3.34Å; V245-F362 PolarHBondContact N-O 3.37Å; V245-F362 PolarHBondContact O-N 3.16Å
246R87.9Confident82.8Confident158 Ų15852.1 Ų52.160%0.59626%0.264SS*.EExtended strand (participates in β ladder)trans-118.2129.9168.9-69.2178.6174.7158-1.3108.4Q360 K361R246-Q360 WeakPolarHBondContact CA-O 3.28Å; R246-K361 HydrophobicContact CG-CB 4.24Å; R246-K361 HydrophobicContact CG-CD 4.46Å; R246-K361 HydrophobicContact CG-CG 4.05Å
247C89.8Confident82.7Confident1 Ų155.7 Ų55.71%0.00728%0.277CS..EExtended strand (participates in β ladder)trans-137.9162.4175.864.50000110.1C231 Q359 Q360 F362C231-C247 WeakPolarHBondContact CA-SG 3.14Å; C231-C247 HydrophobicContact CB-CB 3.9Å; C231-C247 WeakPolarHBondContact CB-SG 3.36Å; C231-C247 WeakPolarHBondContact SG-CB 3.02Å; C231-C247 CovalentContact SG-SG 2.03Å; C231-C247 PolarHBondContact SG-SG 2.8Å; C247-Q359 WeakPolarHBondContact O-CA 3.36Å; C247-Q360 PolarHBondContact N-O 2.8Å; C247-Q360 PolarHBondContact O-N 2.89Å; C247-F362 VanDerWaalsContact SG-CE2 3.58Å
248T90.4Very high82.9Confident28 Ų2862.8 Ų62.817%0.17231%0.31CS..EExtended strand (participates in β ladder)trans-112.6137.8-172.5-52.50000109.8S229 L230 C231 P357 L358S229-T248 WeakPolarHBondContact O-CB 3.4Å; S229-T248 PolarHBondContact O-N 2.94Å; S229-T248 PolarHBondContact O-OG1 3.43Å; L230-T248 CarbonylContact C-O 3.52Å; L230-T248 WeakPolarHBondContact CA-O 3.46Å; C231-T248 PolarHBondContact N-O 2.89Å; T248-P357 HydrophobicContact CG2-CB 3.47Å; T248-P357 VanDerWaalsContact CG2-CB 3.47Å; T248-P357 HydrophobicContact CG2-CG 3.65Å; T248-L358 CarbonylContact C-O 3.57Å; T248-L358 WeakPolarHBondContact CA-O 3.34Å
249R89.4Confident83.3Confident38 Ų3863.7 Ų63.714%0.14331%0.312CS..EExtended strand (participates in β ladder)trans-121.7131.8179.4-159.4177.6-156103.38.6110.3D233 I251 L358D233-R249 IonicContact OD1-CZ 3.44Å; D233-R249 IonicContact OD1-NH1 3.56Å; D233-R249 PolarHBondContact OD1-NH1 2.66Å; D233-R249 IonicContact OD1-NH2 3.45Å; D233-R249 IonicContact OD2-CZ 2.76Å; D233-R249 IonicContact OD2-NH1 3.63Å; D233-R249 PolarHBondContact OD2-NH1 3.14Å; D233-R249 IonicContact OD2-NH2 3.5Å; D233-R249 PolarHBondContact OD2-NH2 3.02Å; R249-I251 HydrophobicContact CB-CG1 4.31Å; R249-I251 HydrophobicContact CG-CG1 4.14Å; R249-L358 PolarHBondContact N-O 3.39Å; R249-L358 PolarHBondContact O-N 2.97Å
250K86.7Confident83.7Confident164 Ų16470 Ų7071%0.71334%0.342SS*.  trans-83.3123.2167.1-65.5-177.2-179.4-179.10107.4L230L230-K250 HydrophobicContact CD2-CG 4.22Å
251I85.9Confident84.6Confident17 Ų1768 Ų689%0.08733%0.331CS..  trans-121.2131.5-176-62.6172.8000107.8R249 I259 L262 L358R249-I251 HydrophobicContact CB-CG1 4.31Å; R249-I251 HydrophobicContact CG-CG1 4.14Å; I251-I259 HydrophobicContact CG2-CD1 3.92Å; I251-L262 HydrophobicContact CD1-CD1 3.93Å; I251-L262 HydrophobicContact CD1-CD2 3.66Å; I251-L262 HydrophobicContact CD1-CG 4.45Å; I251-L262 HydrophobicContact CG1-CD1 4.39Å; I251-L262 HydrophobicContact CG1-CD2 4.42Å; I251-L262 HydrophobicContact CG2-CD1 4.1Å; I251-L358 HydrophobicContact CD1-CB 3.53Å; I251-L358 HydrophobicContact CD1-CD2 3.37Å; I251-L358 HydrophobicContact CD1-CG 4.06Å; I251-L358 HydrophobicContact CG1-CB 4.43Å
252N85.5Confident85.7Confident78 Ų7866.7 Ų66.742%0.41732%0.324SS..  trans-88.8116.6161.7-174.15.4000107.8E254 Q255 C256N252-E254 VanDerWaalsContact C-N 3.27Å; N252-E254 PolarHBondContact O-N 3.01Å; N252-Q255 PolarHBondContact ND2-OE1 3.19Å; N252-Q255 PolarHBondContact O-N 3.22Å; N252-C256 PolarHBondContact O-N 3.01Å
253L83.3Confident86.8Confident18 Ų1863.2 Ų63.29%0.09431%0.306CS..G310 helixtrans-65-31.6-172.7-71.3167.9000112.6Q255 C256 L311 H318 C320 V351 S353L253-Q255 PolarHBondContact O-N 2.64Å; L253-C256 WeakPolarHBondContact O-CB 3.47Å; L253-C256 PolarHBondContact O-N 3.38Å; L253-L311 WeakPolarHBondContact O-CD1 3.26Å; L253-H318 HydrophobicContact CB-CB 4.42Å; L253-C320 HydrophobicContact CD2-CB 4.34Å; L253-V351 HydrophobicContact CD2-CG1 4.17Å; L253-S353 VanDerWaalsContact CD1-N 3.33Å
254E83.3Confident87.8Confident132 Ų13260.9 Ų60.962%0.61730%0.295SS*.G310 helixtrans-66.5-22.9179.1-63.8-178.7176.200112.8N252N252-E254 VanDerWaalsContact C-N 3.27Å; N252-E254 PolarHBondContact O-N 3.01Å
255Q85Confident88.3Confident94 Ų9458.9 Ų58.944%0.43928%0.279SS..G310 helixtrans-110.319.2-178.2-68.2170.9-29.800111.8N252 L253 E257 E258 I259N252-Q255 PolarHBondContact ND2-OE1 3.19Å; N252-Q255 PolarHBondContact O-N 3.22Å; L253-Q255 PolarHBondContact O-N 2.64Å; Q255-E257 PolarHBondContact O-N 3.23Å; Q255-E258 PolarHBondContact O-N 2.04Å; Q255-I259 WeakPolarHBondContact O-CG1 3.24Å
256C86.9Confident88.8Confident0 Ų059.4 Ų59.40%028%0.279CS..THydrogen-bonded Turntrans-66.1-25.9-171.183.50000113.7N252 L253 E258 L262 C320N252-C256 PolarHBondContact O-N 3.01Å; L253-C256 WeakPolarHBondContact O-CB 3.47Å; L253-C256 PolarHBondContact O-N 3.38Å; C256-E258 VanDerWaalsContact C-N 3.32Å; C256-L262 HydrophobicContact CB-CD1 4.26Å; C256-C320 HydrophobicContact CB-CB 3.67Å; C256-C320 WeakPolarHBondContact CB-SG 3.36Å; C256-C320 WeakPolarHBondContact SG-CB 3.29Å; C256-C320 CovalentContact SG-SG 2.04Å; C256-C320 PolarHBondContact SG-SG 2.74Å
257E88.2Confident89.1Confident121 Ų12151.9 Ų51.957%0.56525%0.251SS*.THydrogen-bonded Turntrans-71.8-26.1175.9-55-172.1165.100112.3Q255 L311Q255-E257 PolarHBondContact O-N 3.23Å; E257-L311 HydrophobicContact CG-CB 4.24Å; E257-L311 PolarHBondContact OE1-N 3.29Å
258E89Confident89.3Confident149 Ų14952.6 Ų52.670%0.69626%0.256SS*.THydrogen-bonded Turntrans-83.9-17.3-179.2-59.9-179.6175.200112.7Q255 C256 E260Q255-E258 PolarHBondContact O-N 2.04Å; C256-E258 VanDerWaalsContact C-N 3.32Å; E258-E260 PolarHBondContact O-N 2.62Å; E258-E260 VanDerWaalsContact O-N 3.16Å
259I88.8Confident89.3Confident36 Ų3655.3 Ų55.319%0.18528%0.276CS..  trans-83.699-175.9-56.7166.8000109.4I251 Q255 A261 L262I251-I259 HydrophobicContact CG2-CD1 3.92Å; Q255-I259 WeakPolarHBondContact O-CG1 3.24Å; I259-A261 VanDerWaalsContact C-N 3.26Å; I259-A261 PolarHBondContact O-N 3.24Å; I259-A261 VanDerWaalsContact O-N 3.14Å; I259-L262 HydrophobicContact CB-CD1 3.9Å; I259-L262 HydrophobicContact CB-CG 3.87Å; I259-L262 HydrophobicContact CD1-CD1 3.94Å; I259-L262 HydrophobicContact CG1-CD1 4.5Å; I259-L262 HydrophobicContact CG2-CD1 4.17Å; I259-L262 HydrophobicContact CG2-CD2 4.47Å; I259-L262 HydrophobicContact CG2-CG 3.71Å; I259-L262 WeakPolarHBondContact O-CB 3.44Å; I259-L262 PolarHBondContact O-N 2.82Å
260E90.4Very high89.4Confident134 Ų13455.3 Ų55.363%0.62628%0.28SS*.G310 helixtrans-51.6-41.7-177.9-61.5-176.2167.800113.4E258 L262 S263 F266E258-E260 PolarHBondContact O-N 2.62Å; E258-E260 VanDerWaalsContact O-N 3.16Å; E260-L262 PolarHBondContact O-N 2.84Å; E260-L262 VanDerWaalsContact O-N 3.1Å; E260-S263 VanDerWaalsContact O-CB 3.29Å; E260-S263 WeakPolarHBondContact O-CB 3.44Å; E260-S263 PolarHBondContact O-N 2.71Å; E260-F266 HydrophobicContact CB-CB 4.45Å; E260-F266 HydrophobicContact CB-CD2 3.72Å; E260-F266 HydrophobicContact CB-CE2 4.38Å; E260-F266 HydrophobicContact CB-CG 4.36Å; E260-F266 WeakPolarHBondContact O-CB 3.14Å
261A90.6Very high89.7Confident2 Ų251.3 Ų51.32%0.01727%0.265CS..G310 helixtrans-69.5-5.3-17900000114.9I259 F266 Y267 Q360I259-A261 VanDerWaalsContact C-N 3.26Å; I259-A261 PolarHBondContact O-N 3.24Å; I259-A261 VanDerWaalsContact O-N 3.14Å; A261-F266 HydrophobicContact CB-CD1 4.38Å; A261-F266 HydrophobicContact CB-CE1 4.38Å; A261-Y267 WeakPolarHBondContact O-CE2 3.27Å; A261-Y267 PolarHBondContact O-OH 3.23Å; A261-Y267 VanDerWaalsContact O-OH 3.09Å; A261-Q360 PolarHBondContact O-NE2 2.77Å
262L92.4Very high90.1Very high0 Ų050.5 Ų50.50%026%0.26CS..G310 helixtrans-90.1-15.5168.8-57-174.3000112.1I251 C256 I259 E260 P309 V323 V324 L358I251-L262 HydrophobicContact CD1-CD1 3.93Å; I251-L262 HydrophobicContact CD1-CD2 3.66Å; I251-L262 HydrophobicContact CD1-CG 4.45Å; I251-L262 HydrophobicContact CG1-CD1 4.39Å; I251-L262 HydrophobicContact CG1-CD2 4.42Å; I251-L262 HydrophobicContact CG2-CD1 4.1Å; C256-L262 HydrophobicContact CB-CD1 4.26Å; I259-L262 HydrophobicContact CB-CD1 3.9Å; I259-L262 HydrophobicContact CB-CG 3.87Å; I259-L262 HydrophobicContact CD1-CD1 3.94Å; I259-L262 HydrophobicContact CG1-CD1 4.5Å; I259-L262 HydrophobicContact CG2-CD1 4.17Å; I259-L262 HydrophobicContact CG2-CD2 4.47Å; I259-L262 HydrophobicContact CG2-CG 3.71Å; I259-L262 WeakPolarHBondContact O-CB 3.44Å; I259-L262 PolarHBondContact O-N 2.82Å; E260-L262 PolarHBondContact O-N 2.84Å; E260-L262 VanDerWaalsContact O-N 3.1Å; L262-P309 HydrophobicContact CB-CG 3.95Å; L262-P309 WeakPolarHBondContact O-CG 3.43Å; L262-V323 HydrophobicContact CB-CG1 4.16Å; L262-V323 HydrophobicContact CD1-CG1 4.38Å; L262-V323 HydrophobicContact CD2-CG1 3.84Å; L262-V323 HydrophobicContact CG-CG1 4.32Å; L262-V324 WeakPolarHBondContact O-CG2 3.31Å; L262-V324 PolarHBondContact O-N 3.21Å; L262-L358 HydrophobicContact CD2-CD2 4.16Å
263S93.5Very high90.4Very high14 Ų1447.8 Ų47.810%0.09825%0.246CC..SBendtrans-89.5146-178.1-178.40000112.1E260 A265 Y267E260-S263 VanDerWaalsContact O-CB 3.29Å; E260-S263 WeakPolarHBondContact O-CB 3.44Å; E260-S263 PolarHBondContact O-N 2.71Å; S263-A265 PolarHBondContact O-N 2.85Å; S263-A265 PolarHBondContact OG-N 3.35Å; S263-Y267 WeakPolarHBondContact O-CD2 3.38Å
264M93.7Very high90.7Very high0 Ų051.3 Ų51.30%026%0.258CS..THydrogen-bonded Turntrans-60.3-37.8172.2-72.8173.66700111.7F266 Y267 S268 V286 V289 V306 L307 V324 F346 L348M264-F266 PolarHBondContact O-N 3.37Å; M264-Y267 PolarHBondContact O-N 3.44Å; M264-S268 PolarHBondContact O-N 3.03Å; M264-S268 VanDerWaalsContact O-N 3.14Å; M264-S268 PolarHBondContact O-OG 3.2Å; M264-V286 HydrophobicContact CE-CG1 4.23Å; M264-V289 HydrophobicContact CE-CG2 3.65Å; M264-V306 HydrophobicContact CB-CG1 3.82Å; M264-L307 HydrophobicContact SD-CB 3.89Å; M264-L307 HydrophobicContact SD-CG 4.42Å; M264-L307 PolarHBondContact SD-N 2.78Å; M264-V324 HydrophobicContact CG-CG2 4.16Å; M264-F346 HydrophobicContact CB-CE1 4.26Å; M264-F346 HydrophobicContact CB-CE2 3.87Å; M264-F346 HydrophobicContact CB-CZ 3.72Å; M264-F346 HydrophobicContact CE-CD2 3.48Å; M264-F346 VanDerWaalsContact CE-CD2 3.48Å; M264-F346 HydrophobicContact CE-CE2 3.54Å; M264-F346 HydrophobicContact CE-CG 4.35Å; M264-F346 HydrophobicContact CG-CD1 4.23Å; M264-F346 HydrophobicContact CG-CD2 4.01Å; M264-F346 HydrophobicContact CG-CE1 4.13Å; M264-F346 HydrophobicContact CG-CE2 3.84Å; M264-F346 HydrophobicContact CG-CG 4.15Å; M264-F346 HydrophobicContact CG-CZ 3.9Å; M264-F346 WeakPolarHBondContact O-CZ 3.47Å; M264-F346 HydrophobicContact SD-CD2 4.38Å; M264-F346 HydrophobicContact SD-CE2 4.5Å; M264-L348 HydrophobicContact CG-CD1 4.45Å; M264-L348 HydrophobicContact CG-CD2 3.83Å; M264-L348 HydrophobicContact SD-CD1 3.77Å; M264-L348 HydrophobicContact SD-CD2 4.21Å; M264-L348 HydrophobicContact SD-CG 4.48Å
265A92.1Very high90.8Very high28 Ų2845.1 Ų45.123%0.23123%0.229CC..Hα-helixtrans-58.4-34.8-173.900000112.9S263 Y267 S268 S269 V306S263-A265 PolarHBondContact O-N 2.85Å; S263-A265 PolarHBondContact OG-N 3.35Å; A265-Y267 PolarHBondContact O-N 3.29Å; A265-S268 PolarHBondContact O-N 3Å; A265-S269 WeakPolarHBondContact O-CB 3.46Å; A265-S269 PolarHBondContact O-N 3.44Å; A265-S269 PolarHBondContact O-OG 2.87Å; A265-V306 HydrophobicContact CB-CG1 3.96Å
266F92.8Very high90.6Very high36 Ų3641.8 Ų41.816%0.15822%0.216CC..Hα-helixtrans-58.6-32.4178.5-179.1-98.1000112.6D233 E260 A261 M264D233-F266 HydrophobicContact CB-CE1 4.25Å; D233-F266 HydrophobicContact CB-CZ 3.89Å; E260-F266 HydrophobicContact CB-CB 4.45Å; E260-F266 HydrophobicContact CB-CD2 3.72Å; E260-F266 HydrophobicContact CB-CE2 4.38Å; E260-F266 HydrophobicContact CB-CG 4.36Å; E260-F266 WeakPolarHBondContact O-CB 3.14Å; A261-F266 HydrophobicContact CB-CD1 4.38Å; A261-F266 HydrophobicContact CB-CE1 4.38Å; M264-F266 PolarHBondContact O-N 3.37Å
267Y93.4Very high90.4Very high0 Ų047.5 Ų47.50%025%0.247CC..Hα-helixtrans-96.6-28.4-177-59.7-73.7000113.7P223 A261 S263 M264 A265 V324 V327 Y329 F346 F362P223-Y267 HydrophobicContact CG-CE1 3.76Å; A261-Y267 WeakPolarHBondContact O-CE2 3.27Å; A261-Y267 PolarHBondContact O-OH 3.23Å; A261-Y267 VanDerWaalsContact O-OH 3.09Å; S263-Y267 WeakPolarHBondContact O-CD2 3.38Å; M264-Y267 PolarHBondContact O-N 3.44Å; A265-Y267 PolarHBondContact O-N 3.29Å; Y267-V324 HydrophobicContact CD2-CG1 4.41Å; Y267-V324 HydrophobicContact CE2-CB 4.39Å; Y267-V324 HydrophobicContact CE2-CG1 3.98Å; Y267-V324 HydrophobicContact CE2-CG2 4.42Å; Y267-V327 HydrophobicContact CD1-CG1 4.35Å; Y267-V327 HydrophobicContact CD1-CG2 4.19Å; Y267-V327 HydrophobicContact CD2-CG2 3.91Å; Y267-V327 HydrophobicContact CE1-CG2 4.26Å; Y267-V327 HydrophobicContact CE2-CG2 3.98Å; Y267-V327 HydrophobicContact CG-CG1 4.28Å; Y267-V327 HydrophobicContact CG-CG2 4.01Å; Y267-Y329 WeakPolarHBondContact CA-OH 3.29Å; Y267-Y329 WeakPolarHBondContact CB-OH 3.1Å; Y267-Y329 HydrophobicContact CD1-CE2 4.46Å; Y267-Y329 WeakPolarHBondContact CD1-OH 3.42Å; Y267-Y329 PolarHBondContact O-OH 3.23Å; Y267-F346 AromaticContact CD2-CE1 3.91Å; Y267-F346 HydrophobicContact CD2-CE1 3.91Å; Y267-F346 HydrophobicContact CG-CE1 4.25Å; Y267-F362 HydrophobicContact CE1-CD1 4.27Å; Y267-F362 AromaticContact CE1-CE1 3.7Å; Y267-F362 HydrophobicContact CE1-CE1 3.7Å; Y267-F362 HydrophobicContact CE2-CE1 4.49Å; Y267-F362 AromaticContact CZ-CE1 3.58Å; Y267-F362 VanDerWaalsContact OH-CE1 3.27Å; Y267-F362 WeakPolarHBondContact OH-CE1 3.4Å; Y267-F362 WeakPolarHBondContact OH-CZ 3.47Å
268S93.2Very high90.1Very high16 Ų1643.3 Ų43.311%0.11223%0.23CC..Hα-helixtrans-95.8-22.6-175.363.50000114.7M264 A265M264-S268 PolarHBondContact O-N 3.03Å; M264-S268 VanDerWaalsContact O-N 3.14Å; M264-S268 PolarHBondContact O-OG 3.2Å; A265-S268 PolarHBondContact O-N 3Å
269S91.6Very high89.8Confident85 Ų8547.9 Ų47.959%0.59424%0.241SC*.SBendtrans-71.9-31.1-177.1-53.40000115.8A265A265-S269 WeakPolarHBondContact O-CB 3.46Å; A265-S269 PolarHBondContact O-N 3.44Å; A265-S269 PolarHBondContact O-OG 2.87Å
270P91.6Very high89.7Confident37 Ų3749.2 Ų49.224%0.2425%0.251CS..PPolyproline II helixtrans-62.8140.5-179-24.134.2000113.4T215 L220 I284T215-P270 HydrophobicContact CG2-CB 4.05Å; L220-P270 HydrophobicContact CD1-CB 4.37Å; P270-I284 HydrophobicContact CB-CD1 4.32Å; P270-I284 WeakPolarHBondContact O-CD1 3.45Å; P270-I284 WeakPolarHBondContact O-CG1 3.29Å
271E92.7Very high89.8Confident81 Ų8147.4 Ų47.438%0.37924%0.241SC..EExtended strand (participates in β ladder)trans-102.7124.4171-61.3-178.2143.800110.2T215 K281T215-E271 VanDerWaalsContact CA-O 3.29Å; T215-E271 WeakPolarHBondContact CA-O 3.27Å; T215-E271 WeakPolarHBondContact CB-O 3.41Å; E271-K281 HydrophobicContact CB-CB 4.26Å; E271-K281 HydrophobicContact CB-CD 4.22Å; E271-K281 WeakPolarHBondContact OE2-CD 3.42Å; E271-K281 IonicContact OE2-NZ 3.59Å; E271-K281 PolarHBondContact OE2-NZ 3.02Å
272I93.4Very high89.9Confident0 Ų047.6 Ų47.60%024%0.242CC..EExtended strand (participates in β ladder)trans-86.7133.1-177.4-56.8175.5000109.1L213 L220 K281 V282 I284 L331 A342L213-I272 HydrophobicContact CB-CG2 4.48Å; L213-I272 HydrophobicContact CD2-CG2 4.18Å; L220-I272 HydrophobicContact CD1-CD1 4.31Å; L220-I272 HydrophobicContact CD1-CG1 4.38Å; L220-I272 HydrophobicContact CD2-CD1 3.84Å; I272-K281 CarbonylContact O-C 3.56Å; I272-V282 PolarHBondContact N-O 2.81Å; I272-V282 PolarHBondContact O-N 2.82Å; I272-I284 HydrophobicContact CD1-CD1 4.18Å; I272-I284 HydrophobicContact CD1-CG1 4.14Å; I272-I284 HydrophobicContact CG1-CD1 4.26Å; I272-I284 HydrophobicContact CG1-CG1 4.3Å; I272-L331 HydrophobicContact CD1-CD2 3.7Å; I272-L331 HydrophobicContact CD1-CG 4.46Å; I272-A342 HydrophobicContact CD1-CB 3.88Å
273L92.4Very high89.9Confident21 Ų2151.3 Ų51.311%0.1127%0.266CS..EExtended strand (participates in β ladder)trans-69.4137.4173.9-56.1-173.7000109.8Y207 Q214 A275 K281Y207-L273 WeakPolarHBondContact CE2-O 3.33Å; Y207-L273 PolarHBondContact OH-O 3.19Å; Q214-L273 HydrophobicContact CB-CB 4.42Å; Q214-L273 HydrophobicContact CB-CD1 3.83Å; Q214-L273 HydrophobicContact CB-CG 4.15Å; Q214-L273 PolarHBondContact O-N 3.33Å; L273-A275 VanDerWaalsContact C-N 3.27Å; L273-A275 WeakPolarHBondContact CB-O 3.34Å; L273-A275 PolarHBondContact O-N 2.95Å; L273-K281 HydrophobicContact CD2-CG 3.99Å
274R88.8Confident90Very high91 Ų9151.3 Ų51.334%0.34327%0.265SS..SBendtrans-58.1-37.5-179.9172.2173.1-68.2-168.71.6112.8T280 V282 E338 V339R274-T280 HydrophobicContact CB-CG2 4.34Å; R274-T280 WeakPolarHBondContact CB-O 3.39Å; R274-T280 PolarHBondContact N-O 3.17Å; R274-V282 HydrophobicContact CB-CG2 4.22Å; R274-E338 HydrophobicContact CG-CB 3.94Å; R274-E338 CarbonylContact O-C 3.53Å; R274-E338 VanDerWaalsContact O-CA 3.3Å; R274-E338 WeakPolarHBondContact O-CA 3.33Å; R274-V339 WeakPolarHBondContact CG-O 3.16Å; R274-V339 PolarHBondContact O-N 3.23Å
275A85.9Confident89.9Confident3 Ų354 Ų543%0.02528%0.282CS..SBendtrans-145.3165.5174.900000108.5A205 Y207 L273 D277 S278 E338A205-A275 HydrophobicContact CB-CB 4.38Å; Y207-A275 VanDerWaalsContact CE2-CA 3.49Å; L273-A275 VanDerWaalsContact C-N 3.27Å; L273-A275 WeakPolarHBondContact CB-O 3.34Å; L273-A275 PolarHBondContact O-N 2.95Å; A275-D277 PolarHBondContact O-N 3.08Å; A275-S278 WeakPolarHBondContact O-CB 3.21Å; A275-S278 PolarHBondContact O-N 3.18Å; A275-E338 HydrophobicContact CB-CG 4.47Å
276P82.3Confident90Very high24 Ų2453.8 Ų53.816%0.15628%0.277CS..THydrogen-bonded Turntrans-54.2131175.7-2635.4000111.1K206 Y207 Q214 S278K206-P276 WeakPolarHBondContact O-CG 3.14Å; Y207-P276 HydrophobicContact CD1-CG 3.74Å; Y207-P276 HydrophobicContact CD2-CG 4.49Å; Y207-P276 HydrophobicContact CE1-CG 3.96Å; Y207-P276 HydrophobicContact CG-CG 4.02Å; Y207-P276 VanDerWaalsContact N-CD 3.35Å; Q214-P276 VanDerWaalsContact OE1-CA 3.3Å; P276-S278 PolarHBondContact O-N 2.86Å; P276-S278 VanDerWaalsContact O-N 3.1Å
277D81.5Confident89.7Confident120 Ų12056.2 Ų56.264%0.64229%0.289SS*.THydrogen-bonded Turntrans5818.7-178.2-47.3-49000114.7A275A275-D277 PolarHBondContact O-N 3.08Å
278S82.6Confident89.4Confident32 Ų3257.6 Ų57.622%0.22430%0.299CS..  trans-73.2144.1178.3-174.10000112A275 P276 T280A275-S278 WeakPolarHBondContact O-CB 3.21Å; A275-S278 PolarHBondContact O-N 3.18Å; P276-S278 PolarHBondContact O-N 2.86Å; P276-S278 VanDerWaalsContact O-N 3.1Å; S278-T280 VanDerWaalsContact C-N 3.3Å; S278-T280 PolarHBondContact OG-N 2.83Å
279R82.5Confident89.2Confident246 Ų24656.9 Ų56.993%0.92829%0.294SS*.SBendtrans-77.8-16.9171.1-62.2-174.6-178.1-162.4-0112.9
280T87.4Confident88.7Confident64 Ų6455.5 Ų55.539%0.39328%0.279SS..  trans-88.8126.6-179.7-52.80000109.8R274 S278R274-T280 HydrophobicContact CB-CG2 4.34Å; R274-T280 WeakPolarHBondContact CB-O 3.39Å; R274-T280 PolarHBondContact N-O 3.17Å; S278-T280 VanDerWaalsContact C-N 3.3Å; S278-T280 PolarHBondContact OG-N 2.83Å
281K90.6Very high88.2Confident95 Ų9556.1 Ų56.141%0.41328%0.28SS..EExtended strand (participates in β ladder)trans-107.9151.3-179.4-50.6-174.2-171.5-1760110.9S216 E271 I272 L273S216-K281 WeakPolarHBondContact OG-CE 3.04Å; S216-K281 PolarHBondContact OG-NZ 2.81Å; E271-K281 HydrophobicContact CB-CB 4.26Å; E271-K281 HydrophobicContact CB-CD 4.22Å; E271-K281 WeakPolarHBondContact OE2-CD 3.42Å; E271-K281 IonicContact OE2-NZ 3.59Å; E271-K281 PolarHBondContact OE2-NZ 3.02Å; I272-K281 CarbonylContact O-C 3.56Å; L273-K281 HydrophobicContact CD2-CG 3.99Å
282V92.9Very high87.7Confident7 Ų754.3 Ų54.34%0.04227%0.272CS..EExtended strand (participates in β ladder)trans-118.8110.7178.2-177.40000107.2I272 R274 V339 A342I272-V282 PolarHBondContact N-O 2.81Å; I272-V282 PolarHBondContact O-N 2.82Å; R274-V282 HydrophobicContact CB-CG2 4.22Å; V282-V339 WeakPolarHBondContact CG2-O 3.06Å; V282-A342 HydrophobicContact CG1-CB 4.32Å
283P93.6Very high86.8Confident77 Ų7756.4 Ų56.450%0.529%0.286SS..EExtended strand (participates in β ladder)trans-70.6150.5176.530.1-34000110.4
284I94.3Very high86Confident15 Ų1560.3 Ų60.38%0.07731%0.307CS..EExtended strand (participates in β ladder)trans-87.4124.9174.4-60.3171.5000108.7L220 P270 I272 Y329 A342 L344L220-I284 HydrophobicContact CD1-CD1 3.9Å; P270-I284 HydrophobicContact CB-CD1 4.32Å; P270-I284 WeakPolarHBondContact O-CD1 3.45Å; P270-I284 WeakPolarHBondContact O-CG1 3.29Å; I272-I284 HydrophobicContact CD1-CD1 4.18Å; I272-I284 HydrophobicContact CD1-CG1 4.14Å; I272-I284 HydrophobicContact CG1-CD1 4.26Å; I272-I284 HydrophobicContact CG1-CG1 4.3Å; I284-Y329 HydrophobicContact CD1-CE1 4.15Å; I284-A342 WeakPolarHBondContact CA-O 3.49Å; I284-A342 HydrophobicContact CG1-CB 3.93Å; I284-L344 HydrophobicContact CG2-CB 3.73Å; I284-L344 HydrophobicContact CG2-CD1 3.81Å; I284-L344 HydrophobicContact CG2-CG 4.42Å
285T93.1Very high85.2Confident57 Ų5762.9 Ų62.935%0.3533%0.327SS..EExtended strand (participates in β ladder)trans-107.2131.5-179.661.30000111.9Q287 A342 D343 L344T285-Q287 PolarHBondContact O-N 3.29Å; T285-Q287 PolarHBondContact OG1-NE2 2.87Å; T285-A342 PolarHBondContact N-O 2.91Å; T285-A342 PolarHBondContact OG1-O 3.47Å; T285-D343 CarbonylContact O-C 3.56Å; T285-D343 WeakPolarHBondContact O-CA 3.44Å; T285-D343 PolarHBondContact OG1-OD1 2.84Å; T285-L344 PolarHBondContact O-N 3.38Å
286V92.7Very high84.5Confident23 Ų2370.6 Ų70.614%0.13936%0.36CS..EExtended strand (participates in β ladder)trans-79.7115.8176.7-176.70000108.9M264 V289 L344 F346M264-V286 HydrophobicContact CE-CG1 4.23Å; V286-V289 HydrophobicContact CG1-CG2 3.75Å; V286-L344 CarbonylContact C-O 3.55Å; V286-L344 WeakPolarHBondContact CA-O 3.19Å; V286-F346 HydrophobicContact CG1-CD2 4.04Å; V286-F346 HydrophobicContact CG1-CE2 4.27Å; V286-F346 HydrophobicContact CG2-CE2 4.02Å
287Q87.8Confident83.7Confident87 Ų8773.5 Ų73.541%0.40738%0.378SS..EExtended strand (participates in β ladder)trans-93.1-35.3-178.1-69-63.2-27.700112.8T285 D343 L344T285-Q287 PolarHBondContact O-N 3.29Å; T285-Q287 PolarHBondContact OG1-NE2 2.87Å; Q287-D343 HydrophobicContact CG-CB 3.61Å; Q287-D343 WeakPolarHBondContact CG-OD1 2.95Å; Q287-D343 PolarHBondContact NE2-OD1 3.21Å; Q287-L344 PolarHBondContact N-O 2.92Å
288S86.6Confident83Confident29 Ų2972.6 Ų72.620%0.20337%0.372CS..EExtended strand (participates in β ladder)trans-153.1143.8-179.971.10000112.8S345 F346S288-S345 WeakPolarHBondContact O-CA 3.4Å; S288-S345 VanDerWaalsContact OG-CB 3.26Å; S288-S345 WeakPolarHBondContact OG-CB 3.46Å; S288-S345 PolarHBondContact OG-OG 2.67Å; S288-F346 PolarHBondContact O-N 3.16Å
289V88.4Confident82.3Confident1 Ų175 Ų751%0.00639%0.386CS..EExtended strand (participates in β ladder)trans-126.8116.8174-174.70000108.1M264 V286 R301 L348M264-V289 HydrophobicContact CE-CG2 3.65Å; V286-V289 HydrophobicContact CG1-CG2 3.75Å; V289-R301 HydrophobicContact CB-CB 4.43Å; V289-R301 PolarHBondContact O-N 3.31Å; V289-L348 HydrophobicContact CG1-CD1 3.68Å; V289-L348 HydrophobicContact CG1-CG 3.98Å
290L81.5Confident81.8Confident56 Ų5672.4 Ų72.429%0.29338%0.376SS..EExtended strand (participates in β ladder)trans-102.7138.8171.4-62.4-179.3000109T299 R300 F346 L347 L348L290-T299 CarbonylContact C-O 3.48Å; L290-T299 WeakPolarHBondContact CA-O 3.47Å; L290-R300 HydrophobicContact CD2-CB 3.66Å; L290-R300 HydrophobicContact CD2-CG 3.96Å; L290-F346 PolarHBondContact N-O 3.25Å; L290-L347 HydrophobicContact CB-CD1 3.68Å; L290-L347 CarbonylContact O-C 3.46Å; L290-L347 WeakPolarHBondContact O-CA 3.3Å; L290-L348 PolarHBondContact O-N 2.81Å
291I82.1Confident81.5Confident49 Ų4972.6 Ų72.625%0.25137%0.37SS..EExtended strand (participates in β ladder)trans-111.4127.5175.1-58.2175.3000108.3L298 T299 L348I291-L298 WeakPolarHBondContact O-CA 3.21Å; I291-T299 PolarHBondContact N-O 3.27Å; I291-T299 PolarHBondContact O-N 2.91Å; I291-T299 PolarHBondContact O-OG1 2.89Å; I291-L348 CarbonylContact C-O 3.12Å
292Q81.4Confident80.7Confident44 Ų4477.7 Ų77.721%0.20640%0.395CS..EExtended strand (participates in β ladder)trans-100.3124.1176.8-170.8170.330.600110.3T297 L298 L325 L347 L348 G349Q292-T297 WeakPolarHBondContact CA-O 3.26Å; Q292-L298 HydrophobicContact CB-CD2 3.8Å; Q292-L298 HydrophobicContact CG-CD2 3.89Å; Q292-L325 HydrophobicContact CB-CD1 4.3Å; Q292-L347 HydrophobicContact CB-CD1 4.06Å; Q292-L347 HydrophobicContact CB-CG 4.48Å; Q292-L348 WeakPolarHBondContact CB-O 3.49Å; Q292-L348 PolarHBondContact N-O 3.4Å; Q292-G349 WeakPolarHBondContact O-CA 3.33Å
293S74.8Confident80Confident43 Ų4380 Ų8030%0.30141%0.407SS..  trans-75.6167171.479.20000111.8N295 K296 T297S293-N295 PolarHBondContact O-N 3.45Å; S293-N295 VanDerWaalsContact O-N 3.15Å; S293-N295 PolarHBondContact OG-N 3.41Å; S293-K296 WeakPolarHBondContact O-CA 3.47Å; S293-K296 PolarHBondContact O-N 2.89Å; S293-T297 WeakPolarHBondContact CB-OG1 3.39Å; S293-T297 PolarHBondContact N-O 3.4Å; S293-T297 PolarHBondContact OG-N 2.78Å; S293-T297 PolarHBondContact OG-OG1 2.67Å
294L74.6Confident79.2Confident104 Ų10479.4 Ų79.455%0.54540%0.402SS..THydrogen-bonded Turntrans-57.5-27.4172.4-66.2171.4000113K296 T350L294-K296 PolarHBondContact O-N 2.75Å; L294-T350 HydrophobicContact CD2-CG2 4.19Å
295N73.6Confident78.8Confident145 Ų14583.6 Ų83.678%0.77542%0.424SS*.THydrogen-bonded Turntrans-85.512.4175.8-66.2-20.7000112.9S293 T297S293-N295 PolarHBondContact O-N 3.45Å; S293-N295 VanDerWaalsContact O-N 3.15Å; S293-N295 PolarHBondContact OG-N 3.41Å; N295-T297 PolarHBondContact O-N 3.06Å
296K70.4Confident78.4Confident164 Ų16484.2 Ų84.271%0.71343%0.428SS*.  trans62.315.2-177.9-55.3-177.3179.5179.40115.2S293 L294S293-K296 WeakPolarHBondContact O-CA 3.47Å; S293-K296 PolarHBondContact O-N 2.89Å; L294-K296 PolarHBondContact O-N 2.75Å
297T64.8Low78.1Confident85 Ų8584.8 Ų84.852%0.52143%0.43SS..  trans-73.6143171.160.80000110.1Q292 S293 N295Q292-T297 WeakPolarHBondContact CA-O 3.26Å; S293-T297 WeakPolarHBondContact CB-OG1 3.39Å; S293-T297 PolarHBondContact N-O 3.4Å; S293-T297 PolarHBondContact OG-N 2.78Å; S293-T297 PolarHBondContact OG-OG1 2.67Å; N295-T297 PolarHBondContact O-N 3.06Å
298L66.7Low78.1Confident101 Ų10187.6 Ų87.653%0.52944%0.443SS..EExtended strand (participates in β ladder)trans-109.4131.2-177.1-61.8179.4000110.5I291 Q292 L347I291-L298 WeakPolarHBondContact O-CA 3.21Å; Q292-L298 HydrophobicContact CB-CD2 3.8Å; Q292-L298 HydrophobicContact CG-CD2 3.89Å; L298-L347 HydrophobicContact CD2-CD1 3.52Å
299T68.3Low78.3Confident84 Ų8486.6 Ų86.652%0.51544%0.436SS..EExtended strand (participates in β ladder)trans-121.7131.4172.450.60000110L290 I291L290-T299 CarbonylContact C-O 3.48Å; L290-T299 WeakPolarHBondContact CA-O 3.47Å; I291-T299 PolarHBondContact N-O 3.27Å; I291-T299 PolarHBondContact O-N 2.91Å; I291-T299 PolarHBondContact O-OG1 2.89Å
300R72.6Confident78.4Confident190 Ų19088.2 Ų88.272%0.71745%0.45SS*.EExtended strand (participates in β ladder)trans-84.7128.4173.7-176176-178.51732.2109.2L290L290-R300 HydrophobicContact CD2-CB 3.66Å; L290-R300 HydrophobicContact CD2-CG 3.96Å
301R81.4Confident78.8Confident68 Ų6887.9 Ų87.926%0.25745%0.448SS..  trans-84.1139.4172.6-163.1175.4174.4-120.9-4.5109.4V289 D303 D305V289-R301 HydrophobicContact CB-CB 4.43Å; V289-R301 PolarHBondContact O-N 3.31Å; R301-D303 WeakPolarHBondContact CD-O 3.11Å; R301-D303 WeakPolarHBondContact CG-O 3.43Å; R301-D303 IonicContact CZ-OD2 3.33Å; R301-D303 PolarHBondContact NH1-O 2.78Å; R301-D303 IonicContact NH1-OD2 3.52Å; R301-D303 IonicContact NH2-OD2 2.72Å; R301-D303 PolarHBondContact NH2-OD2 2.82Å; R301-D305 PolarHBondContact NH1-O 2.77Å; R301-D305 VanDerWaalsContact NH1-O 3.08Å
302E73.9Confident79Confident202 Ų20288.3 Ų88.394%0.94445%0.453SS*.SBendtrans-76.2-30.9176.1-64-163.1163.300112.1
303D77.1Confident79.1Confident56 Ų5691.2 Ų91.230%0.29947%0.47SS..  trans-93.9137.8178.5176.522.3000112R301 D305R301-D303 WeakPolarHBondContact CD-O 3.11Å; R301-D303 WeakPolarHBondContact CG-O 3.43Å; R301-D303 IonicContact CZ-OD2 3.33Å; R301-D303 PolarHBondContact NH1-O 2.78Å; R301-D303 IonicContact NH1-OD2 3.52Å; R301-D303 IonicContact NH2-OD2 2.72Å; R301-D303 PolarHBondContact NH2-OD2 2.82Å; D303-D305 VanDerWaalsContact OD1-CG 3.23Å; D303-D305 PolarHBondContact OD1-N 2.69Å; D303-D305 WeakPolarHBondContact OD2-CB 3.48Å
304T78.3Confident78.9Confident64 Ų6491.6 Ų91.639%0.39348%0.475SS..  trans-98.46-179.453.80000113.7
305D84.9Confident78.9Confident103 Ų10390 Ų9055%0.55148%0.484SS*.PPolyproline II helixtrans-54.2141.4176.6-76-14.3000112.5R301 D303 L307R301-D305 PolarHBondContact NH1-O 2.77Å; R301-D305 VanDerWaalsContact NH1-O 3.08Å; D303-D305 VanDerWaalsContact OD1-CG 3.23Å; D303-D305 PolarHBondContact OD1-N 2.69Å; D303-D305 WeakPolarHBondContact OD2-CB 3.48Å; D305-L307 PolarHBondContact O-N 3.45Å
306V85.1Confident78.7Confident71 Ų7192 Ų9243%0.4349%0.488SS..PPolyproline II helixtrans-68.9117.7-178.1-179.60000109.7M264 A265M264-V306 HydrophobicContact CB-CG1 3.82Å; A265-V306 HydrophobicContact CB-CG1 3.96Å
307L86.8Confident78.8Confident35 Ų3590.9 Ų90.918%0.18348%0.484CS..PPolyproline II helixtrans-93.1140.3175.1-63.9174.8000110.8M264 D305 N322 L348M264-L307 HydrophobicContact SD-CB 3.89Å; M264-L307 HydrophobicContact SD-CG 4.42Å; M264-L307 PolarHBondContact SD-N 2.78Å; D305-L307 PolarHBondContact O-N 3.45Å; L307-N322 HydrophobicContact CB-CB 4.21Å; L307-L348 HydrophobicContact CB-CD1 4.29Å; L307-L348 HydrophobicContact CD1-CD1 3.81Å
308Q87.4Confident79.6Confident145 Ų14590.2 Ų90.268%0.67848%0.475SS*.PPolyproline II helixtrans-94.1146.6170.8-66.3-169.3-17.100110.4A310 N322Q308-A310 PolarHBondContact O-N 3.44Å; Q308-N322 WeakPolarHBondContact O-CB 3.27Å; Q308-N322 PolarHBondContact O-ND2 2.8Å
309P90.9Very high80.6Confident8 Ų887 Ų875%0.05246%0.458CS..PPolyproline II helixtrans-57.6137.2168.4-20.333.1000109.4L262 M321L262-P309 HydrophobicContact CB-CG 3.95Å; L262-P309 WeakPolarHBondContact O-CG 3.43Å; P309-M321 WeakPolarHBondContact CA-O 3.5Å
310A90.1Very high81.6Confident35 Ų3583 Ų8329%0.28943%0.434SS..EExtended strand (participates in β ladder)trans-132.1129.3-178.900000110.1Q308 M321Q308-A310 PolarHBondContact O-N 3.44Å; A310-M321 PolarHBondContact N-O 2.96Å; A310-M321 VanDerWaalsContact N-O 3.09Å; A310-M321 PolarHBondContact O-N 3.03Å
311L88.9Confident82.5Confident49 Ų4977.7 Ų77.726%0.25742%0.418SS..EExtended strand (participates in β ladder)trans-81119.3175-175.163.9000109.5L253 E257 H318L253-L311 WeakPolarHBondContact O-CD1 3.26Å; E257-L311 HydrophobicContact CG-CB 4.24Å; E257-L311 PolarHBondContact OE1-N 3.29Å; L311-H318 HydrophobicContact CD1-CB 4.23Å
312V86.6Confident82.9Confident59 Ų5976.1 Ų76.136%0.35841%0.414SS..EExtended strand (participates in β ladder)trans-115.5124.9177.6-177.40000109.3L319 M321V312-L319 PolarHBondContact N-O 3.05Å; V312-L319 PolarHBondContact O-N 3.19Å; V312-M321 HydrophobicContact CB-SD 4.4Å; V312-M321 HydrophobicContact CG2-CG 4.02Å; V312-M321 HydrophobicContact CG2-SD 3.73Å
313N83.1Confident83.8Confident105 Ų10566.5 Ų66.556%0.56137%0.37SS*.EExtended strand (participates in β ladder)trans-92.7110.4176.7-67-24.8000109.6H318N313-H318 PolarHBondContact OD1-ND1 3.22Å
314A70.6Confident84.6Confident50 Ų5063.9 Ų63.941%0.41336%0.355SS..EExtended strand (participates in β ladder)trans-106.880.8174.800000109.5H316 F317 L319A314-H316 PolarHBondContact O-N 3.19Å; A314-F317 PolarHBondContact N-O 3.38Å; A314-F317 PolarHBondContact O-N 3.24Å; A314-L319 HydrophobicContact CB-CD1 3.94Å
315G74.7Confident85.3Confident71 Ų7162 Ų6273%0.73234%0.343SS*.THydrogen-bonded Turntrans70.1-122.1-173.600000111.7F317G315-F317 VanDerWaalsContact C-N 3.33Å
316H69.8Low85.7Confident186 Ų18658.7 Ų58.786%0.86132%0.324SS*.THydrogen-bonded Turntrans-882.7175.9-6592.7000113.4A314A314-H316 PolarHBondContact O-N 3.19Å
317F72.3Confident86.2Confident142 Ų14255.3 Ų55.362%0.62330%0.303SS*.EExtended strand (participates in β ladder)trans-104.3124.1-179.6-60.6-77.3000110.7A314 G315A314-F317 PolarHBondContact N-O 3.38Å; A314-F317 PolarHBondContact O-N 3.24Å; G315-F317 VanDerWaalsContact C-N 3.33Å
318H82.9Confident86.3Confident71 Ų7157.5 Ų57.533%0.32931%0.312SS..EExtended strand (participates in β ladder)trans-86.3121.7170.6-59.3-64.6000109.4L253 L311 N313L253-H318 HydrophobicContact CB-CB 4.42Å; L311-H318 HydrophobicContact CD1-CB 4.23Å; N313-H318 PolarHBondContact OD1-ND1 3.22Å
319L87.8Confident86.6Confident33 Ų3350.8 Ų50.817%0.17328%0.28CS..EExtended strand (participates in β ladder)trans-120130.4178.7-61.3174.3000109V312 A314 T350 V351V312-L319 PolarHBondContact N-O 3.05Å; V312-L319 PolarHBondContact O-N 3.19Å; A314-L319 HydrophobicContact CB-CD1 3.94Å; L319-T350 HydrophobicContact CB-CG2 4.12Å; L319-V351 WeakPolarHBondContact CA-O 3.43Å
320C89.4Confident86.4Confident1 Ų151.9 Ų51.91%0.00729%0.288CS..EExtended strand (participates in β ladder)trans-100.6116.4171.2-162.90000109.7L253 C256 V323 T350 V351L253-C320 HydrophobicContact CD2-CB 4.34Å; C256-C320 HydrophobicContact CB-CB 3.67Å; C256-C320 WeakPolarHBondContact CB-SG 3.36Å; C256-C320 WeakPolarHBondContact SG-CB 3.29Å; C256-C320 CovalentContact SG-SG 2.04Å; C256-C320 PolarHBondContact SG-SG 2.74Å; C320-V323 HydrophobicContact CB-CG2 3.79Å; C320-V323 WeakPolarHBondContact SG-CG2 3.33Å; C320-T350 CarbonylContact O-C 3.53Å; C320-T350 VanDerWaalsContact O-CA 3.29Å; C320-T350 WeakPolarHBondContact O-CA 3.49Å; C320-V351 PolarHBondContact N-O 2.91Å; C320-V351 PolarHBondContact O-N 2.58Å
321M90.1Very high86.5Confident78 Ų7850.2 Ų50.238%0.38427%0.274SS..EExtended strand (participates in β ladder)trans-92.9162177.9-66.6-170.565.600111.4P309 A310 V312 V323 T350P309-M321 WeakPolarHBondContact CA-O 3.5Å; A310-M321 PolarHBondContact N-O 2.96Å; A310-M321 VanDerWaalsContact N-O 3.09Å; A310-M321 PolarHBondContact O-N 3.03Å; V312-M321 HydrophobicContact CB-SD 4.4Å; V312-M321 HydrophobicContact CG2-CG 4.02Å; V312-M321 HydrophobicContact CG2-SD 3.73Å; M321-V323 PolarHBondContact O-N 2.83Å; M321-T350 HydrophobicContact CG-CG2 3.98Å
322N90.1Very high86.5Confident34 Ų3449 Ų4918%0.18227%0.269CS..EExtended strand (participates in β ladder)trans58.529.6178.7-53.7-31.8000114.3L307 Q308 L348 G349L307-N322 HydrophobicContact CB-CB 4.21Å; Q308-N322 WeakPolarHBondContact O-CB 3.27Å; Q308-N322 PolarHBondContact O-ND2 2.8Å; N322-L348 HydrophobicContact CB-CD1 4.4Å; N322-G349 PolarHBondContact N-O 3.26Å
323V92.7Very high86.4Confident1 Ų147.2 Ų47.21%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-79129.9178.1176.10000109.6L262 C320 M321 L325 L348 G349 V351 L358L262-V323 HydrophobicContact CB-CG1 4.16Å; L262-V323 HydrophobicContact CD1-CG1 4.38Å; L262-V323 HydrophobicContact CD2-CG1 3.84Å; L262-V323 HydrophobicContact CG-CG1 4.32Å; C320-V323 HydrophobicContact CB-CG2 3.79Å; C320-V323 WeakPolarHBondContact SG-CG2 3.33Å; M321-V323 PolarHBondContact O-N 2.83Å; V323-L325 PolarHBondContact O-N 2.88Å; V323-L348 CarbonylContact O-C 3.41Å; V323-L348 VanDerWaalsContact O-CA 3.25Å; V323-L348 WeakPolarHBondContact O-CA 3.42Å; V323-G349 PolarHBondContact N-O 3.06Å; V323-G349 PolarHBondContact O-N 3.2Å; V323-V351 HydrophobicContact CB-CG2 3.93Å; V323-V351 HydrophobicContact CG1-CG2 3.87Å; V323-V351 HydrophobicContact CG2-CG2 4.06Å; V323-L358 HydrophobicContact CG1-CD2 3.77Å
324V94.6Very high86.2Confident0 Ų043.2 Ų43.20%024%0.235CC..EExtended strand (participates in β ladder)trans-64.2114.9174.2173.40000110.6L262 M264 Y267 V327 F346 L348 Q360L262-V324 WeakPolarHBondContact O-CG2 3.31Å; L262-V324 PolarHBondContact O-N 3.21Å; M264-V324 HydrophobicContact CG-CG2 4.16Å; Y267-V324 HydrophobicContact CD2-CG1 4.41Å; Y267-V324 HydrophobicContact CE2-CB 4.39Å; Y267-V324 HydrophobicContact CE2-CG1 3.98Å; Y267-V324 HydrophobicContact CE2-CG2 4.42Å; V324-V327 HydrophobicContact CG1-CG2 3.3Å; V324-F346 HydrophobicContact CG1-CD1 4.13Å; V324-F346 HydrophobicContact CG1-CE1 4.4Å; V324-F346 HydrophobicContact CG2-CD1 4.01Å; V324-F346 HydrophobicContact CG2-CE1 4.06Å; V324-L348 HydrophobicContact CB-CD2 4.38Å; V324-L348 HydrophobicContact CG2-CD2 3.67Å; V324-Q360 PolarHBondContact O-NE2 3.45Å
325L91.8Very high86.1Confident26 Ų2646.7 Ų46.714%0.13625%0.247CC..EExtended strand (participates in β ladder)trans-97.8-39.2174.1-58.8-175.6000111.8Q292 V323 L347 V351 L358 Q360 K361Q292-L325 HydrophobicContact CB-CD1 4.3Å; V323-L325 PolarHBondContact O-N 2.88Å; L325-L347 WeakPolarHBondContact CA-O 3.39Å; L325-L347 HydrophobicContact CB-CD2 4.36Å; L325-L347 HydrophobicContact CB-CG 4.32Å; L325-L347 WeakPolarHBondContact CB-O 3.37Å; L325-L347 PolarHBondContact N-O 2.84Å; L325-V351 HydrophobicContact CD2-CG2 4.37Å; L325-L358 HydrophobicContact CD2-CD1 3.64Å; L325-L358 HydrophobicContact CD2-CD2 4.31Å; L325-L358 HydrophobicContact CD2-CG 4.44Å; L325-Q360 CarbonylContact O-C 3.42Å; L325-Q360 VanDerWaalsContact O-CA 3.31Å; L325-Q360 WeakPolarHBondContact O-CA 3.42Å; L325-K361 PolarHBondContact O-N 3.33Å
326E93.5Very high85.8Confident32 Ų3251.8 Ų51.815%0.1524%0.244CC..EExtended strand (participates in β ladder)trans-136.3138.9177.9-167.7169.5178.800111.4K328 F346 L347 K361E326-K328 HydrophobicContact CG-CG 4.33Å; E326-K328 WeakPolarHBondContact OE1-CE 3.48Å; E326-K328 IonicContact OE1-NZ 2.66Å; E326-F346 WeakPolarHBondContact O-CA 3.29Å; E326-L347 HydrophobicContact CB-CB 3.61Å; E326-L347 HydrophobicContact CB-CD2 4.25Å; E326-L347 PolarHBondContact N-O 3.21Å; E326-L347 VanDerWaalsContact N-O 3.12Å; E326-L347 PolarHBondContact O-N 3.46Å; E326-K361 CarbonylContact C-O 3.37Å; E326-K361 WeakPolarHBondContact CA-O 3.11Å; E326-K361 HydrophobicContact CB-CB 4.38Å; E326-K361 HydrophobicContact CG-CB 3.95Å; E326-K361 HydrophobicContact CG-CD 4.26Å; E326-K361 HydrophobicContact CG-CG 4.12Å; E326-K361 WeakPolarHBondContact OE1-CD 3.46Å; E326-K361 WeakPolarHBondContact OE1-CE 3.19Å; E326-K361 IonicContact OE1-NZ 2.6Å; E326-K361 PolarHBondContact OE1-NZ 2.82Å
327V95.2Very high85.8Confident0 Ų043.4 Ų43.40%021%0.207CC..EExtended strand (participates in β ladder)trans-124.5130.5171.7-174.70000108.8Y267 V324 Y329 L344 F346 K361 F362 E363Y267-V327 HydrophobicContact CD1-CG1 4.35Å; Y267-V327 HydrophobicContact CD1-CG2 4.19Å; Y267-V327 HydrophobicContact CD2-CG2 3.91Å; Y267-V327 HydrophobicContact CE1-CG2 4.26Å; Y267-V327 HydrophobicContact CE2-CG2 3.98Å; Y267-V327 HydrophobicContact CG-CG1 4.28Å; Y267-V327 HydrophobicContact CG-CG2 4.01Å; V324-V327 HydrophobicContact CG1-CG2 3.3Å; V327-Y329 HydrophobicContact CG1-CD2 3.94Å; V327-Y329 HydrophobicContact CG1-CE2 3.59Å; V327-L344 HydrophobicContact CG1-CD1 4.06Å; V327-L344 HydrophobicContact CG1-CD2 4.01Å; V327-L344 HydrophobicContact CG1-CG 4.07Å; V327-F346 HydrophobicContact CG1-CE1 4.26Å; V327-F346 HydrophobicContact CG2-CD1 3.98Å; V327-F346 HydrophobicContact CG2-CE1 3.92Å; V327-K361 PolarHBondContact N-O 3.3Å; V327-F362 HydrophobicContact CB-CD1 3.84Å; V327-F362 HydrophobicContact CB-CE1 4.21Å; V327-F362 HydrophobicContact CG2-CD1 3.89Å; V327-F362 HydrophobicContact CG2-CE1 3.73Å; V327-F362 CarbonylContact O-C 3.5Å; V327-F362 WeakPolarHBondContact O-CA 3.45Å; V327-E363 PolarHBondContact O-N 3.23Å
328K90.8Very high86.4Confident82 Ų8239.4 Ų39.436%0.35719%0.191SC..EExtended strand (participates in β ladder)trans-122.7113.7173.9-57.2-168.4177.8-170.10110.6E326 L344 S345 E363E326-K328 HydrophobicContact CG-CG 4.33Å; E326-K328 WeakPolarHBondContact OE1-CE 3.48Å; E326-K328 IonicContact OE1-NZ 2.66Å; K328-L344 CarbonylContact O-C 3.55Å; K328-L344 WeakPolarHBondContact O-CA 3.25Å; K328-S345 PolarHBondContact N-O 3.21Å; K328-S345 PolarHBondContact O-N 2.68Å; K328-E363 CarbonylContact C-O 3.45Å; K328-E363 WeakPolarHBondContact CA-O 3.07Å; K328-E363 WeakPolarHBondContact CE-OE2 3.42Å; K328-E363 HydrophobicContact CG-CB 4.17Å; K328-E363 IonicContact NZ-OE2 3.2Å
329Y92Very high86.7Confident3 Ų336 Ų361%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-88.1135.8170.9-73.3-87.2000110.4L220 F222 Y267 I284 V327 L331 L344 E363 I364 H365L220-Y329 HydrophobicContact CD1-CE1 4.07Å; L220-Y329 HydrophobicContact CD2-CD1 4.35Å; L220-Y329 HydrophobicContact CD2-CE1 4.27Å; F222-Y329 HydrophobicContact CD2-CD2 4.1Å; F222-Y329 HydrophobicContact CD2-CE2 4.28Å; F222-Y329 HydrophobicContact CE2-CD2 4.34Å; Y267-Y329 WeakPolarHBondContact CA-OH 3.29Å; Y267-Y329 WeakPolarHBondContact CB-OH 3.1Å; Y267-Y329 HydrophobicContact CD1-CE2 4.46Å; Y267-Y329 WeakPolarHBondContact CD1-OH 3.42Å; Y267-Y329 PolarHBondContact O-OH 3.23Å; I284-Y329 HydrophobicContact CD1-CE1 4.15Å; V327-Y329 HydrophobicContact CG1-CD2 3.94Å; V327-Y329 HydrophobicContact CG1-CE2 3.59Å; Y329-L331 HydrophobicContact CD1-CD1 4.5Å; Y329-L344 HydrophobicContact CD1-CD1 3.62Å; Y329-L344 HydrophobicContact CD1-CG 4.41Å; Y329-L344 HydrophobicContact CE1-CD1 3.18Å; Y329-L344 HydrophobicContact CE1-CG 4.37Å; Y329-L344 HydrophobicContact CE2-CD1 4.17Å; Y329-L344 HydrophobicContact CG-CD1 4.27Å; Y329-L344 VanDerWaalsContact CZ-CD1 3.48Å; Y329-E363 PolarHBondContact N-O 2.88Å; Y329-I364 HydrophobicContact CG-CD1 4.49Å; Y329-I364 WeakPolarHBondContact O-CA 3.33Å; Y329-H365 PolarHBondContact O-N 3.42Å
330S88.5Confident86.8Confident32 Ų3236.3 Ų36.322%0.22418%0.178CC..EExtended strand (participates in β ladder)trans-132.5102.7174173.50000109.2D343 H365 L367S330-D343 PolarHBondContact N-O 3.48Å; S330-D343 WeakPolarHBondContact O-CB 2.97Å; S330-D343 PolarHBondContact O-N 3.33Å; S330-H365 WeakPolarHBondContact CA-O 2.97Å; S330-L367 VanDerWaalsContact OG-CD1 3.26Å; S330-L367 WeakPolarHBondContact OG-CD1 3.37Å
331L90.6Very high86.9Confident0 Ų040.5 Ų40.50%020%0.197CC..EExtended strand (participates in β ladder)trans-103129-176-70.481.6000110.2L213 I272 Y329 V339 K341 A342 I364 H365 F366 L367L213-L331 HydrophobicContact CD1-CD2 3.46Å; L213-L331 VanDerWaalsContact CD1-CD2 3.46Å; L213-L331 HydrophobicContact CD2-CD2 4.29Å; I272-L331 HydrophobicContact CD1-CD2 3.7Å; I272-L331 HydrophobicContact CD1-CG 4.46Å; Y329-L331 HydrophobicContact CD1-CD1 4.5Å; L331-V339 HydrophobicContact CD2-CG1 4.35Å; L331-K341 CarbonylContact C-O 3.6Å; L331-K341 WeakPolarHBondContact CA-O 3.36Å; L331-A342 HydrophobicContact CG-CB 4.29Å; L331-I364 HydrophobicContact CD1-CD1 3.72Å; L331-I364 HydrophobicContact CD1-CG1 3.8Å; L331-H365 PolarHBondContact N-O 2.73Å; L331-F366 HydrophobicContact CB-CD1 3.9Å; L331-F366 HydrophobicContact CB-CE1 4.07Å; L331-F366 HydrophobicContact CD2-CE1 3.93Å; L331-F366 HydrophobicContact CG-CE1 4.44Å; L331-F366 CarbonylContact O-C 3.51Å; L331-F366 WeakPolarHBondContact O-CA 3.11Å; L331-L367 PolarHBondContact O-N 3.28Å
332T88.7Confident87.1Confident22 Ų2236.9 Ų36.914%0.13518%0.179CC..EExtended strand (participates in β ladder)trans-96136.3173.8-49.30000111T340 K341 L367 E369T332-T340 PolarHBondContact O-N 3.22Å; T332-T340 PolarHBondContact O-OG1 3.47Å; T332-K341 PolarHBondContact N-O 2.93Å; T332-K341 PolarHBondContact O-N 3.44Å; T332-L367 CarbonylContact C-O 3.59Å; T332-L367 WeakPolarHBondContact CA-O 3.16Å; T332-E369 HydrophobicContact CG2-CB 3.89Å; T332-E369 HydrophobicContact CG2-CG 4.3Å
333Y85.8Confident87.3Confident23 Ų2336.1 Ų36.19%0.0918%0.175CC..EExtended strand (participates in β ladder)trans-138155.4-178.474.4-82.2000113.8F239 L240 E338 F366 L367 Q368 E369F239-Y333 HydrophobicContact CE2-CG 4.15Å; F239-Y333 AromaticContact CZ-CD2 3.83Å; F239-Y333 HydrophobicContact CZ-CD2 3.83Å; F239-Y333 AromaticContact CZ-CG 3.91Å; F239-Y333 HydrophobicContact CZ-CG 3.91Å; L240-Y333 HydrophobicContact CD1-CE2 4.47Å; L240-Y333 HydrophobicContact CD2-CD1 3.78Å; L240-Y333 HydrophobicContact CD2-CD2 4.15Å; L240-Y333 HydrophobicContact CD2-CE1 3.3Å; L240-Y333 HydrophobicContact CD2-CE2 3.75Å; L240-Y333 HydrophobicContact CD2-CG 4.19Å; Y333-E338 CarbonylContact C-O 3.52Å; Y333-E338 WeakPolarHBondContact CA-O 3.43Å; Y333-E338 WeakPolarHBondContact CB-O 3.43Å; Y333-F366 HydrophobicContact CD1-CB 4.13Å; Y333-F366 HydrophobicContact CE1-CB 3.98Å; Y333-L367 WeakPolarHBondContact CD1-O 3.12Å; Y333-L367 PolarHBondContact N-O 3.27Å; Y333-Q368 HydrophobicContact CD1-CB 4.3Å; Y333-Q368 HydrophobicContact CD2-CG 4.41Å; Y333-Q368 HydrophobicContact CE1-CB 3.68Å; Y333-Q368 HydrophobicContact CE1-CG 4.48Å; Y333-Q368 HydrophobicContact CE2-CB 3.99Å; Y333-Q368 HydrophobicContact CE2-CG 3.93Å; Y333-Q368 CarbonylContact O-C 3.52Å; Y333-Q368 WeakPolarHBondContact O-CA 3.34Å; Y333-Q368 PolarHBondContact OH-OE1 2.77Å; Y333-E369 PolarHBondContact O-N 3.48Å
334T78.3Confident87.4Confident20 Ų2036 Ų3612%0.12317%0.174CC..  trans-85.5166.1178.666.50000112.9R336 G337 E338 T340T334-R336 PolarHBondContact O-N 3.19Å; T334-R336 VanDerWaalsContact O-N 3.09Å; T334-R336 PolarHBondContact OG1-N 3.18Å; T334-G337 PolarHBondContact O-N 3.17Å; T334-E338 HydrophobicContact CG2-CB 4.44Å; T334-E338 PolarHBondContact N-O 3.02Å; T334-E338 WeakPolarHBondContact OG1-CB 3.39Å; T334-E338 PolarHBondContact OG1-N 3.08Å; T334-T340 HydrophobicContact CG2-CG2 3.44Å; T334-T340 VanDerWaalsContact CG2-CG2 3.44Å
335D68.4Low87.3Confident123 Ų12337.6 Ų37.666%0.65819%0.185SC*.THydrogen-bonded Turntrans-59.6-17.7170.969.1-26.8000114.1G337D335-G337 VanDerWaalsContact C-N 3.35Å
336R67.6Low87.4Confident179 Ų17936.7 Ų36.768%0.67518%0.18SC*.THydrogen-bonded Turntrans-84.6-5.5174.6-61.7-176.2-178.9-170-1.2113.8K206 T334 E338K206-R336 WeakPolarHBondContact CB-O 3.48Å; T334-R336 PolarHBondContact O-N 3.19Å; T334-R336 VanDerWaalsContact O-N 3.09Å; T334-R336 PolarHBondContact OG1-N 3.18Å; R336-E338 HydrophobicContact CB-CG 4.43Å
337G70.4Confident87.2Confident9 Ų936.2 Ų36.29%0.09318%0.179CC..SBendtrans8031.3-178.200000113.4Y207 T334 D335Y207-G337 PolarHBondContact N-O 3.2Å; T334-G337 PolarHBondContact O-N 3.17Å; D335-G337 VanDerWaalsContact C-N 3.35Å
338E85.6Confident87.1Confident58 Ų5836.2 Ų36.227%0.27118%0.179SC..  trans-102.7135173.4-58-178.7157.700109.8R274 A275 Y333 T334 R336R274-E338 HydrophobicContact CG-CB 3.94Å; R274-E338 CarbonylContact O-C 3.53Å; R274-E338 VanDerWaalsContact O-CA 3.3Å; R274-E338 WeakPolarHBondContact O-CA 3.33Å; A275-E338 HydrophobicContact CB-CG 4.47Å; Y333-E338 CarbonylContact C-O 3.52Å; Y333-E338 WeakPolarHBondContact CA-O 3.43Å; Y333-E338 WeakPolarHBondContact CB-O 3.43Å; T334-E338 HydrophobicContact CG2-CB 4.44Å; T334-E338 PolarHBondContact N-O 3.02Å; T334-E338 WeakPolarHBondContact OG1-CB 3.39Å; T334-E338 PolarHBondContact OG1-N 3.08Å; R336-E338 HydrophobicContact CB-CG 4.43Å
339V89.2Confident87Confident0 Ų032.4 Ų32.40%016%0.163CC..EExtended strand (participates in β ladder)trans-78.7126.7173.7-178.80000108.8Y207 L213 F239 R274 V282 L331Y207-V339 HydrophobicContact CD2-CG2 4.1Å; Y207-V339 HydrophobicContact CE2-CG2 4.13Å; L213-V339 HydrophobicContact CD2-CG2 3.94Å; F239-V339 HydrophobicContact CD2-CG2 4.21Å; F239-V339 HydrophobicContact CE2-CG2 3.88Å; R274-V339 WeakPolarHBondContact CG-O 3.16Å; R274-V339 PolarHBondContact O-N 3.23Å; V282-V339 WeakPolarHBondContact CG2-O 3.06Å; L331-V339 HydrophobicContact CD2-CG1 4.35Å
340T89.5Confident86.8Confident40 Ų4033.8 Ų33.825%0.24517%0.171CC..EExtended strand (participates in β ladder)trans-110-31.6-178.350.70000113T332 T334T332-T340 PolarHBondContact O-N 3.22Å; T332-T340 PolarHBondContact O-OG1 3.47Å; T334-T340 HydrophobicContact CG2-CG2 3.44Å; T334-T340 VanDerWaalsContact CG2-CG2 3.44Å
341K92.2Very high86.7Confident89 Ų8932.4 Ų32.439%0.38716%0.162SC..EExtended strand (participates in β ladder)trans-140.3145.5179.8-158.7-173.9-177.5-151.30110.7L331 T332 D343L331-K341 CarbonylContact C-O 3.6Å; L331-K341 WeakPolarHBondContact CA-O 3.36Å; T332-K341 PolarHBondContact N-O 2.93Å; T332-K341 PolarHBondContact O-N 3.44Å; K341-D343 WeakPolarHBondContact CD-OD2 3.37Å; K341-D343 WeakPolarHBondContact CE-OD1 3.34Å; K341-D343 WeakPolarHBondContact CE-OD2 3.48Å; K341-D343 VanDerWaalsContact NZ-CG 3.35Å; K341-D343 IonicContact NZ-OD1 3.57Å; K341-D343 PolarHBondContact NZ-OD1 2.84Å; K341-D343 IonicContact NZ-OD2 3.23Å; K341-D343 PolarHBondContact NZ-OD2 3.21Å
342A94.4Very high86.4Confident1 Ų133.3 Ų33.31%0.00817%0.168CC..EExtended strand (participates in β ladder)trans-133.2115.2170.300000109.5I272 V282 I284 T285 L331I272-A342 HydrophobicContact CD1-CB 3.88Å; V282-A342 HydrophobicContact CG1-CB 4.32Å; I284-A342 WeakPolarHBondContact CA-O 3.49Å; I284-A342 HydrophobicContact CG1-CB 3.93Å; T285-A342 PolarHBondContact N-O 2.91Å; T285-A342 PolarHBondContact OG1-O 3.47Å; L331-A342 HydrophobicContact CG-CB 4.29Å
343D93.4Very high85.7Confident18 Ų1835.9 Ų35.910%0.09619%0.187CC..EExtended strand (participates in β ladder)trans-110.9149.5-178.6-71.8-35.1000110.4T285 Q287 S330 K341T285-D343 CarbonylContact O-C 3.56Å; T285-D343 WeakPolarHBondContact O-CA 3.44Å; T285-D343 PolarHBondContact OG1-OD1 2.84Å; Q287-D343 HydrophobicContact CG-CB 3.61Å; Q287-D343 WeakPolarHBondContact CG-OD1 2.95Å; Q287-D343 PolarHBondContact NE2-OD1 3.21Å; S330-D343 PolarHBondContact N-O 3.48Å; S330-D343 WeakPolarHBondContact O-CB 2.97Å; S330-D343 PolarHBondContact O-N 3.33Å; K341-D343 WeakPolarHBondContact CD-OD2 3.37Å; K341-D343 WeakPolarHBondContact CE-OD1 3.34Å; K341-D343 WeakPolarHBondContact CE-OD2 3.48Å; K341-D343 VanDerWaalsContact NZ-CG 3.35Å; K341-D343 IonicContact NZ-OD1 3.57Å; K341-D343 PolarHBondContact NZ-OD1 2.84Å; K341-D343 IonicContact NZ-OD2 3.23Å; K341-D343 PolarHBondContact NZ-OD2 3.21Å
344L94.4Very high84.9Confident0 Ų041 Ų410%022%0.22CC..EExtended strand (participates in β ladder)trans-138.3137.5-177.8-157.5142.1000111.7I284 T285 V286 Q287 V327 K328 Y329 F346I284-L344 HydrophobicContact CG2-CB 3.73Å; I284-L344 HydrophobicContact CG2-CD1 3.81Å; I284-L344 HydrophobicContact CG2-CG 4.42Å; T285-L344 PolarHBondContact O-N 3.38Å; V286-L344 CarbonylContact C-O 3.55Å; V286-L344 WeakPolarHBondContact CA-O 3.19Å; Q287-L344 PolarHBondContact N-O 2.92Å; V327-L344 HydrophobicContact CG1-CD1 4.06Å; V327-L344 HydrophobicContact CG1-CD2 4.01Å; V327-L344 HydrophobicContact CG1-CG 4.07Å; K328-L344 CarbonylContact O-C 3.55Å; K328-L344 WeakPolarHBondContact O-CA 3.25Å; Y329-L344 HydrophobicContact CD1-CD1 3.62Å; Y329-L344 HydrophobicContact CD1-CG 4.41Å; Y329-L344 HydrophobicContact CE1-CD1 3.18Å; Y329-L344 HydrophobicContact CE1-CG 4.37Å; Y329-L344 HydrophobicContact CE2-CD1 4.17Å; Y329-L344 HydrophobicContact CG-CD1 4.27Å; Y329-L344 VanDerWaalsContact CZ-CD1 3.48Å; L344-F346 HydrophobicContact CD2-CD1 3.87Å; L344-F346 HydrophobicContact CD2-CD2 3.39Å; L344-F346 HydrophobicContact CD2-CE1 3.47Å; L344-F346 VanDerWaalsContact CD2-CE1 3.47Å; L344-F346 HydrophobicContact CD2-CE2 2.99Å; L344-F346 HydrophobicContact CD2-CG 3.85Å; L344-F346 HydrophobicContact CD2-CZ 3.03Å; L344-F346 HydrophobicContact CG-CE2 4.44Å; L344-F346 HydrophobicContact CG-CZ 4.4Å
345S93Very high84.3Confident33 Ų3343.5 Ų43.523%0.23124%0.235CC..EExtended strand (participates in β ladder)trans-128.2137.7175.3-64.90000110.7S288 K328S288-S345 WeakPolarHBondContact O-CA 3.4Å; S288-S345 VanDerWaalsContact OG-CB 3.26Å; S288-S345 WeakPolarHBondContact OG-CB 3.46Å; S288-S345 PolarHBondContact OG-OG 2.67Å; K328-S345 PolarHBondContact N-O 3.21Å; K328-S345 PolarHBondContact O-N 2.68Å
346F93.4Very high84.6Confident6 Ų640.2 Ų40.23%0.02622%0.22CC..EExtended strand (participates in β ladder)trans-116.5146.1-176.5-69.8-77.2000112.4M264 Y267 V286 S288 L290 V324 E326 V327 L344 L348M264-F346 HydrophobicContact CB-CE1 4.26Å; M264-F346 HydrophobicContact CB-CE2 3.87Å; M264-F346 HydrophobicContact CB-CZ 3.72Å; M264-F346 HydrophobicContact CE-CD2 3.48Å; M264-F346 VanDerWaalsContact CE-CD2 3.48Å; M264-F346 HydrophobicContact CE-CE2 3.54Å; M264-F346 HydrophobicContact CE-CG 4.35Å; M264-F346 HydrophobicContact CG-CD1 4.23Å; M264-F346 HydrophobicContact CG-CD2 4.01Å; M264-F346 HydrophobicContact CG-CE1 4.13Å; M264-F346 HydrophobicContact CG-CE2 3.84Å; M264-F346 HydrophobicContact CG-CG 4.15Å; M264-F346 HydrophobicContact CG-CZ 3.9Å; M264-F346 WeakPolarHBondContact O-CZ 3.47Å; M264-F346 HydrophobicContact SD-CD2 4.38Å; M264-F346 HydrophobicContact SD-CE2 4.5Å; Y267-F346 AromaticContact CD2-CE1 3.91Å; Y267-F346 HydrophobicContact CD2-CE1 3.91Å; Y267-F346 HydrophobicContact CG-CE1 4.25Å; V286-F346 HydrophobicContact CG1-CD2 4.04Å; V286-F346 HydrophobicContact CG1-CE2 4.27Å; V286-F346 HydrophobicContact CG2-CE2 4.02Å; S288-F346 PolarHBondContact O-N 3.16Å; L290-F346 PolarHBondContact N-O 3.25Å; V324-F346 HydrophobicContact CG1-CD1 4.13Å; V324-F346 HydrophobicContact CG1-CE1 4.4Å; V324-F346 HydrophobicContact CG2-CD1 4.01Å; V324-F346 HydrophobicContact CG2-CE1 4.06Å; E326-F346 WeakPolarHBondContact O-CA 3.29Å; V327-F346 HydrophobicContact CG1-CE1 4.26Å; V327-F346 HydrophobicContact CG2-CD1 3.98Å; V327-F346 HydrophobicContact CG2-CE1 3.92Å; L344-F346 HydrophobicContact CD2-CD1 3.87Å; L344-F346 HydrophobicContact CD2-CD2 3.39Å; L344-F346 HydrophobicContact CD2-CE1 3.47Å; L344-F346 VanDerWaalsContact CD2-CE1 3.47Å; L344-F346 HydrophobicContact CD2-CE2 2.99Å; L344-F346 HydrophobicContact CD2-CG 3.85Å; L344-F346 HydrophobicContact CD2-CZ 3.03Å; L344-F346 HydrophobicContact CG-CE2 4.44Å; L344-F346 HydrophobicContact CG-CZ 4.4Å; F346-L348 HydrophobicContact CB-CD2 4.22Å
347L89.9Confident85.3Confident23 Ų2335.4 Ų35.412%0.1221%0.211CC..EExtended strand (participates in β ladder)trans-111114.9155.3-176.963.8000108.1L290 Q292 L298 L325 E326L290-L347 HydrophobicContact CB-CD1 3.68Å; L290-L347 CarbonylContact O-C 3.46Å; L290-L347 WeakPolarHBondContact O-CA 3.3Å; Q292-L347 HydrophobicContact CB-CD1 4.06Å; Q292-L347 HydrophobicContact CB-CG 4.48Å; L298-L347 HydrophobicContact CD2-CD1 3.52Å; L325-L347 WeakPolarHBondContact CA-O 3.39Å; L325-L347 HydrophobicContact CB-CD2 4.36Å; L325-L347 HydrophobicContact CB-CG 4.32Å; L325-L347 WeakPolarHBondContact CB-O 3.37Å; L325-L347 PolarHBondContact N-O 2.84Å; E326-L347 HydrophobicContact CB-CB 3.61Å; E326-L347 HydrophobicContact CB-CD2 4.25Å; E326-L347 PolarHBondContact N-O 3.21Å; E326-L347 VanDerWaalsContact N-O 3.12Å; E326-L347 PolarHBondContact O-N 3.46Å
348L92.1Very high86.1Confident0 Ų035.2 Ų35.20%021%0.208CC..EExtended strand (participates in β ladder)trans-96.3156172.2-53.5-176.7000109.7M264 V289 L290 I291 Q292 L307 N322 V323 V324 F346M264-L348 HydrophobicContact CG-CD1 4.45Å; M264-L348 HydrophobicContact CG-CD2 3.83Å; M264-L348 HydrophobicContact SD-CD1 3.77Å; M264-L348 HydrophobicContact SD-CD2 4.21Å; M264-L348 HydrophobicContact SD-CG 4.48Å; V289-L348 HydrophobicContact CG1-CD1 3.68Å; V289-L348 HydrophobicContact CG1-CG 3.98Å; L290-L348 PolarHBondContact O-N 2.81Å; I291-L348 CarbonylContact C-O 3.12Å; Q292-L348 WeakPolarHBondContact CB-O 3.49Å; Q292-L348 PolarHBondContact N-O 3.4Å; L307-L348 HydrophobicContact CB-CD1 4.29Å; L307-L348 HydrophobicContact CD1-CD1 3.81Å; N322-L348 HydrophobicContact CB-CD1 4.4Å; V323-L348 CarbonylContact O-C 3.41Å; V323-L348 VanDerWaalsContact O-CA 3.25Å; V323-L348 WeakPolarHBondContact O-CA 3.42Å; V324-L348 HydrophobicContact CB-CD2 4.38Å; V324-L348 HydrophobicContact CG2-CD2 3.67Å; F346-L348 HydrophobicContact CB-CD2 4.22Å
349G89.2Confident86.3Confident2 Ų238.1 Ų38.12%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-155.6-175.7171.400000113.3Q292 N322 V323Q292-G349 WeakPolarHBondContact O-CA 3.33Å; N322-G349 PolarHBondContact N-O 3.26Å; V323-G349 PolarHBondContact N-O 3.06Å; V323-G349 PolarHBondContact O-N 3.2Å
350T88.1Confident86.4Confident32 Ų3238.2 Ų38.220%0.19622%0.222CC..EExtended strand (participates in β ladder)trans-108.4127.3177.5-53.10000110L294 L319 C320 M321L294-T350 HydrophobicContact CD2-CG2 4.19Å; L319-T350 HydrophobicContact CB-CG2 4.12Å; C320-T350 CarbonylContact O-C 3.53Å; C320-T350 VanDerWaalsContact O-CA 3.29Å; C320-T350 WeakPolarHBondContact O-CA 3.49Å; M321-T350 HydrophobicContact CG-CG2 3.98Å
351V87.2Confident86.5Confident3 Ų338.5 Ų38.52%0.01822%0.22CC..EExtended strand (participates in β ladder)trans-108.8135.5-179.9-174.20000109.7L253 L319 C320 V323 L325 V355 V356 L358L253-V351 HydrophobicContact CD2-CG1 4.17Å; L319-V351 WeakPolarHBondContact CA-O 3.43Å; C320-V351 PolarHBondContact N-O 2.91Å; C320-V351 PolarHBondContact O-N 2.58Å; V323-V351 HydrophobicContact CB-CG2 3.93Å; V323-V351 HydrophobicContact CG1-CG2 3.87Å; V323-V351 HydrophobicContact CG2-CG2 4.06Å; L325-V351 HydrophobicContact CD2-CG2 4.37Å; V351-V355 HydrophobicContact CG1-CB 4.43Å; V351-V356 HydrophobicContact CG1-CG2 4.46Å; V351-L358 HydrophobicContact CG1-CD1 4.4Å; V351-L358 HydrophobicContact CG2-CD1 3.73Å; V351-L358 HydrophobicContact CG2-CD2 4.24Å
352S84.2Confident86.5Confident19 Ų1934.3 Ų34.313%0.13320%0.202CC..  trans-123.5172.6174.273.70000110.4V354 V355S352-V354 PolarHBondContact O-N 3.42Å; S352-V354 VanDerWaalsContact O-N 3.07Å; S352-V355 PolarHBondContact O-N 2.73Å
353S73.4Confident86.2Confident76 Ų7635.5 Ų35.553%0.53121%0.207SC..G310 helixtrans-60.2-20.5-179.254.10000114L253 V355L253-S353 VanDerWaalsContact CD1-N 3.33Å; S353-V355 VanDerWaalsContact C-N 3.35Å
354V68.2Low85.8Confident129 Ų12934.7 Ų34.778%0.78220%0.203SC*.G310 helixtrans-78.2-20.7178.4-171.10000112.2S352S352-V354 PolarHBondContact O-N 3.42Å; S352-V354 VanDerWaalsContact O-N 3.07Å
355V67.3Low85.2Confident73 Ų7338.1 Ų38.144%0.44222%0.219SC..G310 helixtrans-104.612.8-172.6-160.30000111.6V351 S352 S353 P357V351-V355 HydrophobicContact CG1-CB 4.43Å; S352-V355 PolarHBondContact O-N 2.73Å; S353-V355 VanDerWaalsContact C-N 3.35Å; V355-P357 CarbonylContact O-C 3.27Å
356V74.3Confident84.5Confident55 Ų5537.5 Ų37.533%0.33321%0.212SC..PPolyproline II helixtrans-94.5130.4174.1-176.10000108.9V351V351-V356 HydrophobicContact CG1-CG2 4.46Å
357P81.1Confident83.8Confident77 Ų7741.4 Ų41.450%0.523%0.233SC..SBendcis-82.4142936.4-37.8000113.4T248 V355 Q359T248-P357 HydrophobicContact CG2-CB 3.47Å; T248-P357 VanDerWaalsContact CG2-CB 3.47Å; T248-P357 HydrophobicContact CG2-CG 3.65Å; V355-P357 CarbonylContact O-C 3.27Å; P357-Q359 PolarHBondContact O-N 3.23Å
358L88.4Confident83.1Confident5 Ų541.8 Ų41.83%0.02623%0.234CC..EExtended strand (participates in β ladder)trans-74.5125.3-175.5-179.567.5000110.2T248 R249 I251 L262 V323 L325 V351 Q360T248-L358 CarbonylContact C-O 3.57Å; T248-L358 WeakPolarHBondContact CA-O 3.34Å; R249-L358 PolarHBondContact N-O 3.39Å; R249-L358 PolarHBondContact O-N 2.97Å; I251-L358 HydrophobicContact CD1-CB 3.53Å; I251-L358 HydrophobicContact CD1-CD2 3.37Å; I251-L358 HydrophobicContact CD1-CG 4.06Å; I251-L358 HydrophobicContact CG1-CB 4.43Å; L262-L358 HydrophobicContact CD2-CD2 4.16Å; V323-L358 HydrophobicContact CG1-CD2 3.77Å; L325-L358 HydrophobicContact CD2-CD1 3.64Å; L325-L358 HydrophobicContact CD2-CD2 4.31Å; L325-L358 HydrophobicContact CD2-CG 4.44Å; V351-L358 HydrophobicContact CG1-CD1 4.4Å; V351-L358 HydrophobicContact CG2-CD1 3.73Å; V351-L358 HydrophobicContact CG2-CD2 4.24Å; L358-Q360 HydrophobicContact CD2-CG 3.77Å; L358-Q360 HydrophobicContact CG-CG 4.05Å
359Q89.1Confident82.3Confident120 Ų12045.9 Ų45.956%0.56125%0.253SS*.EExtended strand (participates in β ladder)trans-91.2121.8168.8-173.2173.272.900109.8C247 P357C247-Q359 WeakPolarHBondContact O-CA 3.36Å; P357-Q359 PolarHBondContact O-N 3.23Å
360Q92.3Very high81Confident1 Ų153.2 Ų53.21%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-108.6151.6174.8-64.9178.9-73.300110.1R246 C247 A261 V324 L325 L358 F362R246-Q360 WeakPolarHBondContact CA-O 3.28Å; C247-Q360 PolarHBondContact N-O 2.8Å; C247-Q360 PolarHBondContact O-N 2.89Å; A261-Q360 PolarHBondContact O-NE2 2.77Å; V324-Q360 PolarHBondContact O-NE2 3.45Å; L325-Q360 CarbonylContact O-C 3.42Å; L325-Q360 VanDerWaalsContact O-CA 3.31Å; L325-Q360 WeakPolarHBondContact O-CA 3.42Å; L358-Q360 HydrophobicContact CD2-CG 3.77Å; L358-Q360 HydrophobicContact CG-CG 4.05Å; Q360-F362 HydrophobicContact CB-CD2 4.47Å; Q360-F362 HydrophobicContact CB-CE2 3.5Å; Q360-F362 HydrophobicContact CB-CZ 3.7Å; Q360-F362 HydrophobicContact CG-CZ 4.45Å
361K91.5Very high79.3Confident47 Ų4754.9 Ų54.920%0.20430%0.302CS..EExtended strand (participates in β ladder)trans-122.8132.5179.5-176.3177.6173.6-133.90110.6V245 R246 L325 E326 V327 E363V245-K361 CarbonylContact O-C 3.53Å; V245-K361 WeakPolarHBondContact O-CA 3.34Å; R246-K361 HydrophobicContact CG-CB 4.24Å; R246-K361 HydrophobicContact CG-CD 4.46Å; R246-K361 HydrophobicContact CG-CG 4.05Å; L325-K361 PolarHBondContact O-N 3.33Å; E326-K361 CarbonylContact C-O 3.37Å; E326-K361 WeakPolarHBondContact CA-O 3.11Å; E326-K361 HydrophobicContact CB-CB 4.38Å; E326-K361 HydrophobicContact CG-CB 3.95Å; E326-K361 HydrophobicContact CG-CD 4.26Å; E326-K361 HydrophobicContact CG-CG 4.12Å; E326-K361 WeakPolarHBondContact OE1-CD 3.46Å; E326-K361 WeakPolarHBondContact OE1-CE 3.19Å; E326-K361 IonicContact OE1-NZ 2.6Å; E326-K361 PolarHBondContact OE1-NZ 2.82Å; V327-K361 PolarHBondContact N-O 3.3Å; K361-E363 WeakPolarHBondContact CE-OE1 3.31Å; K361-E363 IonicContact NZ-OE1 3.49Å; K361-E363 PolarHBondContact NZ-OE1 3.29Å
362F91.5Very high77.7Confident0 Ų063.3 Ų63.30%034%0.338CS..EExtended strand (participates in β ladder)trans-126.8128.3-178.2-59.3-82.6000108.9F222 P223 A244 V245 C247 Y267 V327 Q360F222-F362 HydrophobicContact CD2-CB 4.43Å; F222-F362 HydrophobicContact CE1-CB 4.4Å; F222-F362 HydrophobicContact CE2-CB 3.7Å; F222-F362 HydrophobicContact CZ-CB 3.68Å; P223-F362 HydrophobicContact CB-CD1 4.4Å; P223-F362 HydrophobicContact CB-CD2 4.02Å; P223-F362 HydrophobicContact CB-CE1 4.22Å; P223-F362 HydrophobicContact CB-CE2 3.79Å; P223-F362 HydrophobicContact CB-CG 4.33Å; P223-F362 HydrophobicContact CB-CZ 3.91Å; P223-F362 HydrophobicContact CG-CD1 4.2Å; P223-F362 HydrophobicContact CG-CE1 3.91Å; P223-F362 HydrophobicContact CG-CE2 4.36Å; P223-F362 HydrophobicContact CG-CZ 3.99Å; A244-F362 CarbonylContact C-O 3.48Å; A244-F362 WeakPolarHBondContact CA-O 3.45Å; V245-F362 PolarHBondContact N-O 3.37Å; V245-F362 PolarHBondContact O-N 3.16Å; C247-F362 VanDerWaalsContact SG-CE2 3.58Å; Y267-F362 HydrophobicContact CE1-CD1 4.27Å; Y267-F362 AromaticContact CE1-CE1 3.7Å; Y267-F362 HydrophobicContact CE1-CE1 3.7Å; Y267-F362 HydrophobicContact CE2-CE1 4.49Å; Y267-F362 AromaticContact CZ-CE1 3.58Å; Y267-F362 VanDerWaalsContact OH-CE1 3.27Å; Y267-F362 WeakPolarHBondContact OH-CE1 3.4Å; Y267-F362 WeakPolarHBondContact OH-CZ 3.47Å; V327-F362 HydrophobicContact CB-CD1 3.84Å; V327-F362 HydrophobicContact CB-CE1 4.21Å; V327-F362 HydrophobicContact CG2-CD1 3.89Å; V327-F362 HydrophobicContact CG2-CE1 3.73Å; V327-F362 CarbonylContact O-C 3.5Å; V327-F362 WeakPolarHBondContact O-CA 3.45Å; Q360-F362 HydrophobicContact CB-CD2 4.47Å; Q360-F362 HydrophobicContact CB-CE2 3.5Å; Q360-F362 HydrophobicContact CB-CZ 3.7Å; Q360-F362 HydrophobicContact CG-CZ 4.45Å
363E87.8Confident76.2Confident26 Ų2664.9 Ų64.912%0.12135%0.348CS..EExtended strand (participates in β ladder)trans-127.1143.2175.2-58-173.1171.100110.4Q243 A244 V327 K328 Y329 K361 H365Q243-E363 CarbonylContact O-C 3.45Å; Q243-E363 VanDerWaalsContact O-CA 3.24Å; Q243-E363 WeakPolarHBondContact O-CA 3.23Å; A244-E363 HydrophobicContact CB-CG 3.91Å; V327-E363 PolarHBondContact O-N 3.23Å; K328-E363 CarbonylContact C-O 3.45Å; K328-E363 WeakPolarHBondContact CA-O 3.07Å; K328-E363 WeakPolarHBondContact CE-OE2 3.42Å; K328-E363 HydrophobicContact CG-CB 4.17Å; K328-E363 IonicContact NZ-OE2 3.2Å; Y329-E363 PolarHBondContact N-O 2.88Å; K361-E363 WeakPolarHBondContact CE-OE1 3.31Å; K361-E363 IonicContact NZ-OE1 3.49Å; K361-E363 PolarHBondContact NZ-OE1 3.29Å; E363-H365 IonicContact OE2-NE2 2.71Å; E363-H365 PolarHBondContact OE2-NE2 3.47Å
364I85.1Confident75.8Confident1 Ų163.2 Ų63.21%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-136.6130.2170.7-176.7164.3000109.3L213 L220 F222 A237 N242 Q243 Y329 L331 F366L213-I364 HydrophobicContact CD1-CD1 4.39Å; L220-I364 HydrophobicContact CD2-CD1 4.32Å; F222-I364 HydrophobicContact CD2-CB 4.21Å; F222-I364 HydrophobicContact CD2-CG2 4.16Å; F222-I364 HydrophobicContact CE1-CG2 4.29Å; F222-I364 HydrophobicContact CE2-CB 3.81Å; F222-I364 HydrophobicContact CE2-CG2 3.75Å; F222-I364 HydrophobicContact CZ-CB 4.33Å; F222-I364 HydrophobicContact CZ-CG2 3.82Å; A237-I364 HydrophobicContact CB-CD1 3.98Å; N242-I364 VanDerWaalsContact CA-O 3.29Å; N242-I364 WeakPolarHBondContact CA-O 3.03Å; Q243-I364 HydrophobicContact CB-CG2 3.9Å; Q243-I364 HydrophobicContact CG-CG2 4.43Å; Q243-I364 PolarHBondContact N-O 3.14Å; Q243-I364 PolarHBondContact O-N 2.82Å; Y329-I364 HydrophobicContact CG-CD1 4.49Å; Y329-I364 WeakPolarHBondContact O-CA 3.33Å; L331-I364 HydrophobicContact CD1-CD1 3.72Å; L331-I364 HydrophobicContact CD1-CG1 3.8Å; I364-F366 HydrophobicContact CD1-CE2 4.12Å; I364-F366 HydrophobicContact CD1-CZ 3.91Å; I364-F366 HydrophobicContact CG1-CE2 3.97Å; I364-F366 HydrophobicContact CG1-CZ 4.21Å
365H82.1Confident75.8Confident73 Ų7360.1 Ų60.134%0.33832%0.317SS..EExtended strand (participates in β ladder)trans-129.4142.5179-59.3-72.2000110.5N242 Y329 S330 L331 E363N242-H365 WeakPolarHBondContact OD1-CA 3.33Å; Y329-H365 PolarHBondContact O-N 3.42Å; S330-H365 WeakPolarHBondContact CA-O 2.97Å; L331-H365 PolarHBondContact N-O 2.73Å; E363-H365 IonicContact OE2-NE2 2.71Å; E363-H365 PolarHBondContact OE2-NE2 3.47Å
366F78.3Confident76.6Confident19 Ų1957.6 Ų57.68%0.08330%0.301CS..EExtended strand (participates in β ladder)trans-109.6123.9175.9-64.6-92.9000110.2L213 A238 F239 L240 N242 L331 Y333 I364L213-F366 HydrophobicContact CD1-CE1 3.99Å; L213-F366 HydrophobicContact CD1-CZ 3.91Å; A238-F366 WeakPolarHBondContact O-CE2 3.28Å; A238-F366 VanDerWaalsContact O-CZ 3.31Å; A238-F366 WeakPolarHBondContact O-CZ 3.38Å; F239-F366 HydrophobicContact CD2-CD1 4.05Å; F239-F366 AromaticContact CD2-CE1 3.7Å; F239-F366 HydrophobicContact CD2-CE1 3.7Å; F239-F366 HydrophobicContact CE2-CD1 4.21Å; F239-F366 HydrophobicContact CE2-CE1 4.28Å; L240-F366 HydrophobicContact CD2-CB 3.84Å; L240-F366 HydrophobicContact CD2-CD1 4.27Å; L240-F366 HydrophobicContact CD2-CG 4.1Å; N242-F366 WeakPolarHBondContact OD1-CD2 3.03Å; N242-F366 PolarHBondContact OD1-N 3.19Å; L331-F366 HydrophobicContact CB-CD1 3.9Å; L331-F366 HydrophobicContact CB-CE1 4.07Å; L331-F366 HydrophobicContact CD2-CE1 3.93Å; L331-F366 HydrophobicContact CG-CE1 4.44Å; L331-F366 CarbonylContact O-C 3.51Å; L331-F366 WeakPolarHBondContact O-CA 3.11Å; Y333-F366 HydrophobicContact CD1-CB 4.13Å; Y333-F366 HydrophobicContact CE1-CB 3.98Å; I364-F366 HydrophobicContact CD1-CE2 4.12Å; I364-F366 HydrophobicContact CD1-CZ 3.91Å; I364-F366 HydrophobicContact CG1-CE2 3.97Å; I364-F366 HydrophobicContact CG1-CZ 4.21Å
367L79.1Confident77.1Confident89 Ų8955 Ų5547%0.46629%0.286SS..EExtended strand (participates in β ladder)trans-109.8127.5177.9-61173.2000108.3S330 L331 T332 Y333S330-L367 VanDerWaalsContact OG-CD1 3.26Å; S330-L367 WeakPolarHBondContact OG-CD1 3.37Å; L331-L367 PolarHBondContact O-N 3.28Å; T332-L367 CarbonylContact C-O 3.59Å; T332-L367 WeakPolarHBondContact CA-O 3.16Å; Y333-L367 WeakPolarHBondContact CD1-O 3.12Å; Y333-L367 PolarHBondContact N-O 3.27Å
368Q74.7Confident77.2Confident30 Ų3051.4 Ų51.414%0.1426%0.262CS..EExtended strand (participates in β ladder)trans-83.4135.6174-175.8171.7-1.800109.8Y333 N370 T371 T404Y333-Q368 HydrophobicContact CD1-CB 4.3Å; Y333-Q368 HydrophobicContact CD2-CG 4.41Å; Y333-Q368 HydrophobicContact CE1-CB 3.68Å; Y333-Q368 HydrophobicContact CE1-CG 4.48Å; Y333-Q368 HydrophobicContact CE2-CB 3.99Å; Y333-Q368 HydrophobicContact CE2-CG 3.93Å; Y333-Q368 CarbonylContact O-C 3.52Å; Y333-Q368 WeakPolarHBondContact O-CA 3.34Å; Y333-Q368 PolarHBondContact OH-OE1 2.77Å; Q368-N370 PolarHBondContact O-N 3.2Å; Q368-T371 HydrophobicContact CB-CG2 3.53Å; Q368-T371 HydrophobicContact CG-CG2 3.98Å; Q368-T371 WeakPolarHBondContact O-CB 3.45Å; Q368-T371 WeakPolarHBondContact O-CG2 3.45Å; Q368-T371 PolarHBondContact O-N 3.07Å; Q368-T371 PolarHBondContact O-OG1 2.57Å; Q368-T404 HydrophobicContact CB-CG2 4.3Å; Q368-T404 PolarHBondContact OE1-OG1 3.36Å
369E76.4Confident76.9Confident87 Ų8752.8 Ų52.841%0.40727%0.27SS..THydrogen-bonded Turntrans-56.9135.7179.1-163.1175.7-179.200110.3T332 Y333 T371T332-E369 HydrophobicContact CG2-CB 3.89Å; T332-E369 HydrophobicContact CG2-CG 4.3Å; Y333-E369 PolarHBondContact O-N 3.48Å; E369-T371 VanDerWaalsContact C-N 3.31Å; E369-T371 PolarHBondContact O-N 3.19Å
370N61.9Low76.1Confident155 Ų15548.6 Ų48.683%0.82925%0.252SS*.THydrogen-bonded Turntrans60.830.9-178.1-53.5-52.4000114.9Q368Q368-N370 PolarHBondContact O-N 3.2Å
371T51.7Low75.8Confident68 Ų6848.6 Ų48.642%0.41725%0.253SS..  trans-85.513317347.50000113.2Q368 E369Q368-T371 HydrophobicContact CB-CG2 3.53Å; Q368-T371 HydrophobicContact CG-CG2 3.98Å; Q368-T371 WeakPolarHBondContact O-CB 3.45Å; Q368-T371 WeakPolarHBondContact O-CG2 3.45Å; Q368-T371 PolarHBondContact O-N 3.07Å; Q368-T371 PolarHBondContact O-OG1 2.57Å; E369-T371 VanDerWaalsContact C-N 3.31Å; E369-T371 PolarHBondContact O-N 3.19Å
372K52.4Low75.7Confident179 Ų17947 Ų4778%0.77825%0.245SC*.  trans-88.6154158-63.7-177.5179.3-176.60107.7V374K372-V374 PolarHBondContact O-N 2.94Å
373P54.7Low75.6Confident53 Ų5349.9 Ų49.934%0.34426%0.263SS..  trans-44.1134.816525.9-41.5000110P375P373-P375 WeakPolarHBondContact O-CD 3.1Å
374V63.3Low75.6Confident41 Ų4152.9 Ų52.925%0.24828%0.283CS..  trans-91.2112.2-176.6-177.10000106.6K372 L376 T404 R406K372-V374 PolarHBondContact O-N 2.94Å; V374-L376 PolarHBondContact O-N 2.81Å; V374-T404 WeakPolarHBondContact CG1-O 2.85Å; V374-T404 WeakPolarHBondContact CG2-O 3.09Å; V374-R406 HydrophobicContact CG1-CB 3.97Å; V374-R406 HydrophobicContact CG1-CG 3.54Å
375P69.3Low75.6Confident63 Ų6353.9 Ų53.941%0.40929%0.294SS..  trans-60.9136.5-178.723.7-32.3000110.1L82 P373 R406L82-P375 CarbonylContact O-C 3.57Å; L82-P375 WeakPolarHBondContact O-CA 3.36Å; P373-P375 WeakPolarHBondContact O-CD 3.1Å; P375-R406 WeakPolarHBondContact O-CD 3.46Å; P375-R406 PolarHBondContact O-NE 3.19Å
376L82.8Confident76Confident21 Ų2152.3 Ų52.311%0.1129%0.288CS..  trans-57.7151170.1-60.4178.6000109.6L82 P84 V374 G378 N379 R406 N476L82-L376 WeakPolarHBondContact O-CB 3.33Å; L82-L376 VanDerWaalsContact O-CG 3.25Å; L82-L376 WeakPolarHBondContact O-CG 2.98Å; L82-L376 PolarHBondContact O-N 2.83Å; P84-L376 HydrophobicContact CG-CD2 4.01Å; P84-L376 HydrophobicContact CG-CG 4.18Å; V374-L376 PolarHBondContact O-N 2.81Å; L376-G378 PolarHBondContact O-N 3.14Å; L376-N379 HydrophobicContact CD1-CB 4.09Å; L376-R406 VanDerWaalsContact CD2-NH2 3.25Å; L376-N476 HydrophobicContact CD1-CB 4.04Å
377S84.8Confident76.6Confident1 Ų151.7 Ų51.71%0.00729%0.285CS..SBendtrans-84.417.1176.4-52.80000112Y382 V383 P387 R406 G475S377-Y382 WeakPolarHBondContact O-CA 3.36Å; S377-V383 PolarHBondContact O-N 3.13Å; S377-P387 VanDerWaalsContact CB-O 3.23Å; S377-P387 WeakPolarHBondContact CB-O 3.4Å; S377-P387 PolarHBondContact OG-O 2.88Å; S377-R406 VanDerWaalsContact N-NH1 3.11Å; S377-R406 PolarHBondContact OG-NH1 3.17Å; S377-R406 VanDerWaalsContact OG-NH1 3.16Å; S377-G475 PolarHBondContact N-O 2.86Å
378G84.4Confident77.3Confident0 Ų047.4 Ų47.40%026%0.263CS..  trans134.2156.1-175.600000111.9L376 G381 G475 N476L376-G378 PolarHBondContact O-N 3.14Å; G378-G381 CarbonylContact C-O 3.47Å; G378-G381 WeakPolarHBondContact CA-O 3.15Å; G378-G475 CarbonylContact O-C 3.54Å; G378-G475 VanDerWaalsContact O-C 3.27Å; G378-N476 VanDerWaalsContact O-CB 3.31Å; G378-N476 WeakPolarHBondContact O-CB 3.14Å; G378-N476 PolarHBondContact O-N 2.83Å
379N82Confident78.1Confident35 Ų3546.1 Ų46.119%0.18726%0.257CS..SBendtrans-150.2104.7-177-170.716.4000111.7D81 L82 L376 N476D81-N379 WeakPolarHBondContact O-CB 3.49Å; D81-N379 PolarHBondContact O-ND2 2.85Å; D81-N379 PolarHBondContact OD2-ND2 2.86Å; L82-N379 HydrophobicContact CD2-CB 4.5Å; L376-N379 HydrophobicContact CD1-CB 4.09Å; N379-N476 HydrophobicContact CB-CB 4.44Å; N379-N476 PolarHBondContact OD1-ND2 2.83Å
380P71.8Confident78.8Confident31 Ų3142 Ų4220%0.20124%0.238CC..SBendcis-69.7173.1-193.89.9000113Q528P380-Q528 HydrophobicContact CB-CG 4.15Å; P380-Q528 HydrophobicContact CG-CG 4.22Å; P380-Q528 PolarHBondContact O-OE1 2.88Å
381G85.6Confident79.9Confident1 Ų134.6 Ų34.61%0.0120%0.199CC..SBendtrans71.7-178.8171.700000115.3G378 G475 N476 A529G378-G381 CarbonylContact C-O 3.47Å; G378-G381 WeakPolarHBondContact CA-O 3.15Å; G381-G475 WeakPolarHBondContact O-CA 3.39Å; G381-G475 PolarHBondContact O-N 2.86Å; G381-N476 PolarHBondContact N-OD1 2.88Å; G381-A529 WeakPolarHBondContact CA-O 3.46Å
382Y90.6Very high81.4Confident13 Ų1334.4 Ų34.45%0.05119%0.192CC..PPolyproline II helixtrans-91.8135.7179.3-79.3-78.6000112.4S377 L388 A389 F433 A472 A529 I531S377-Y382 WeakPolarHBondContact O-CA 3.36Å; Y382-L388 HydrophobicContact CD1-CD2 4.04Å; Y382-L388 HydrophobicContact CE1-CD2 3.76Å; Y382-L388 HydrophobicContact CE2-CD2 4.4Å; Y382-L388 HydrophobicContact CG-CD2 4.48Å; Y382-A389 PolarHBondContact OH-N 3.21Å; Y382-A389 VanDerWaalsContact OH-N 3.14Å; Y382-F433 HydrophobicContact CD1-CB 4.27Å; Y382-F433 HydrophobicContact CD1-CG 4.46Å; Y382-F433 HydrophobicContact CG-CB 4.42Å; Y382-F433 HydrophobicContact CG-CD2 4.16Å; Y382-F433 HydrophobicContact CG-CG 4.11Å; Y382-A472 WeakPolarHBondContact CE2-O 3.32Å; Y382-A472 PolarHBondContact OH-O 3.46Å; Y382-A529 PolarHBondContact N-O 2.67Å; Y382-I531 HydrophobicContact CD2-CD1 3.94Å; Y382-I531 HydrophobicContact CD2-CG1 4Å; Y382-I531 HydrophobicContact CE2-CD1 3.4Å; Y382-I531 HydrophobicContact CE2-CG1 3.77Å
383V88.4Confident82.4Confident62 Ų6230.4 Ų30.438%0.37618%0.176SC..PPolyproline II helixtrans-94.2135.8168.5177.90000109.3S377 G385 L386S377-V383 PolarHBondContact O-N 3.13Å; V383-G385 PolarHBondContact O-N 3.4Å; V383-L386 HydrophobicContact CB-CD1 3.86Å; V383-L386 HydrophobicContact CB-CG 4.18Å; V383-L386 HydrophobicContact CG1-CD1 4.36Å; V383-L386 HydrophobicContact CG1-CG 4.43Å; V383-L386 HydrophobicContact CG2-CD1 4.48Å; V383-L386 PolarHBondContact O-N 2.89Å
384V89.1Confident82.8Confident89 Ų8928.6 Ų28.654%0.53916%0.164SC..THydrogen-bonded Turntrans-59.1130.8179.2176.40000110.4F433 Y435V384-F433 WeakPolarHBondContact CA-O 3.48Å; V384-F433 HydrophobicContact CG2-CD1 4.1Å; V384-F433 HydrophobicContact CG2-CE1 4.11Å; V384-Y435 HydrophobicContact CG1-CD2 4.31Å; V384-Y435 HydrophobicContact CG1-CE2 3.73Å
385G84.9Confident82.3Confident22 Ų2235.9 Ų35.923%0.22720%0.195CC..THydrogen-bonded Turntrans90.1-7.8-179.700000115.8V383 F433V383-G385 PolarHBondContact O-N 3.4Å; G385-F433 PolarHBondContact N-O 3.3Å
386L89.5Confident81.4Confident40 Ų4042.1 Ų42.121%0.20922%0.216CC..SBendtrans-87.3150.2170.4-61.9-171.8000111L82 V383 F433L82-L386 HydrophobicContact CD1-CD1 4.3Å; V383-L386 HydrophobicContact CB-CD1 3.86Å; V383-L386 HydrophobicContact CB-CG 4.18Å; V383-L386 HydrophobicContact CG1-CD1 4.36Å; V383-L386 HydrophobicContact CG1-CG 4.43Å; V383-L386 HydrophobicContact CG2-CD1 4.48Å; V383-L386 PolarHBondContact O-N 2.89Å; L386-F433 PolarHBondContact O-N 2.96Å
387P91.2Very high79.9Confident5 Ų544.2 Ų44.23%0.03224%0.243CC..BIsolated β-bridgetrans-67.1145.7-175.927.4-35.4000112.1S377 R406 Y407 V431 L432S377-P387 VanDerWaalsContact CB-O 3.23Å; S377-P387 WeakPolarHBondContact CB-O 3.4Å; S377-P387 PolarHBondContact OG-O 2.88Å; P387-R406 HydrophobicContact CG-CB 4.05Å; P387-Y407 HydrophobicContact CB-CD1 4.03Å; P387-Y407 HydrophobicContact CB-CE1 4.32Å; P387-Y407 HydrophobicContact CG-CD1 3.85Å; P387-Y407 HydrophobicContact CG-CD2 4.48Å; P387-Y407 HydrophobicContact CG-CE1 3.81Å; P387-Y407 HydrophobicContact CG-CE2 4.43Å; P387-Y407 HydrophobicContact CG-CG 4.21Å; P387-V431 WeakPolarHBondContact CA-O 3.3Å; P387-L432 HydrophobicContact CB-CD2 4.17Å
388L93.4Very high78.6Confident0 Ų049.4 Ų49.40%028%0.279CS..PPolyproline II helixtrans-64136.3169.2-69-168.1000110.8Y382 F410 V431 F433 V516 I531 F562Y382-L388 HydrophobicContact CD1-CD2 4.04Å; Y382-L388 HydrophobicContact CE1-CD2 3.76Å; Y382-L388 HydrophobicContact CE2-CD2 4.4Å; Y382-L388 HydrophobicContact CG-CD2 4.48Å; L388-F410 HydrophobicContact CB-CB 4.28Å; L388-F410 HydrophobicContact CB-CD1 3.9Å; L388-F410 HydrophobicContact CD1-CD1 3.74Å; L388-F410 HydrophobicContact CD1-CE1 3.9Å; L388-F410 HydrophobicContact CG-CD1 4.36Å; L388-V431 HydrophobicContact CD1-CG1 3.84Å; L388-V431 HydrophobicContact CG-CG1 4.15Å; L388-V431 PolarHBondContact N-O 2.87Å; L388-F433 HydrophobicContact CD2-CB 3.91Å; L388-F433 HydrophobicContact CD2-CD2 4.03Å; L388-F433 HydrophobicContact CD2-CG 4.43Å; L388-V516 HydrophobicContact CD1-CG1 4.27Å; L388-V516 HydrophobicContact CD1-CG2 4.1Å; L388-I531 HydrophobicContact CD1-CD1 4.14Å; L388-I531 HydrophobicContact CD2-CD1 3.5Å; L388-I531 HydrophobicContact CG-CD1 4.42Å; L388-F562 HydrophobicContact CD1-CE1 4Å; L388-F562 HydrophobicContact CD1-CZ 3.85Å; L388-F562 HydrophobicContact CD2-CE1 4.32Å; L388-F562 HydrophobicContact CD2-CZ 4.46Å; L388-F562 HydrophobicContact CG-CE1 4.49Å; L388-F562 HydrophobicContact CG-CZ 4.24Å
389A92.1Very high78Confident2 Ų249.8 Ų49.82%0.01728%0.283CS..PPolyproline II helixtrans-89.6127.2176.300000108.8Y382 V471 A472Y382-A389 PolarHBondContact OH-N 3.21Å; Y382-A389 VanDerWaalsContact OH-N 3.14Å; A389-V471 WeakPolarHBondContact O-CA 3.2Å; A389-V471 WeakPolarHBondContact O-CG1 3.42Å; A389-A472 HydrophobicContact CB-CB 3.89Å; A389-A472 PolarHBondContact O-N 3.01Å
390A91.4Very high77.7Confident1 Ų148.5 Ų48.51%0.00828%0.276CS..EExtended strand (participates in β ladder)trans-147.2162.4-174.500000111Q402 Q409 F410 P468 Y470 V471A390-Q402 PolarHBondContact O-NE2 3.31Å; A390-Q409 HydrophobicContact CB-CB 4.28Å; A390-Q409 WeakPolarHBondContact O-CB 3.27Å; A390-Q409 PolarHBondContact O-OE1 2.85Å; A390-F410 HydrophobicContact CB-CB 3.79Å; A390-F410 HydrophobicContact CB-CD2 4.42Å; A390-F410 HydrophobicContact CB-CG 4.28Å; A390-P468 HydrophobicContact CB-CB 3.73Å; A390-P468 HydrophobicContact CB-CG 3.62Å; A390-Y470 CarbonylContact C-O 3.56Å; A390-Y470 VanDerWaalsContact CA-O 3.22Å; A390-Y470 WeakPolarHBondContact CA-O 3.49Å; A390-Y470 VanDerWaalsContact CB-O 3.31Å; A390-Y470 WeakPolarHBondContact CB-O 3.31Å; A390-V471 HydrophobicContact CB-CG2 4.21Å
391G85.3Confident77.7Confident0 Ų048.7 Ų48.70%028%0.275CS..EExtended strand (participates in β ladder)trans-168.1-176.4-179.500000113.7I401 P468 D469 Y470G391-I401 CarbonylContact C-O 3.59Å; G391-I401 WeakPolarHBondContact CA-O 3.45Å; G391-P468 VanDerWaalsContact O-CB 3.29Å; G391-P468 WeakPolarHBondContact O-CB 3.39Å; G391-D469 PolarHBondContact O-N 3.39Å; G391-Y470 PolarHBondContact N-O 2.91Å; G391-Y470 PolarHBondContact O-N 2.85Å
392F82.3Confident77.1Confident64 Ų6451.1 Ų51.128%0.28129%0.286SS..BIsolated β-bridgetrans-110.7148.3-174.9-50.3-92.4000110.2I401 G466 F467 D469F392-I401 HydrophobicContact CB-CB 4.32Å; F392-I401 PolarHBondContact N-O 2.76Å; F392-I401 PolarHBondContact O-N 3.27Å; F392-G466 VanDerWaalsContact CZ-O 3.31Å; F392-G466 WeakPolarHBondContact CZ-O 3.16Å; F392-F467 WeakPolarHBondContact CE1-O 3.49Å; F392-D469 WeakPolarHBondContact CA-OD2 3.35Å
393Q73.2Confident76.1Confident94 Ų9452.9 Ų52.944%0.43930%0.298SS..  trans-81.5131.2172-175.7173.212.200110.2D469 Y470Q393-D469 PolarHBondContact N-OD2 2.85Å; Q393-Y470 HydrophobicContact CB-CD2 4.07Å; Q393-Y470 HydrophobicContact CB-CE2 3.57Å; Q393-Y470 HydrophobicContact CG-CE2 4.25Å; Q393-Y470 PolarHBondContact OE1-OH 3.46Å
394P62.8Low75Confident15 Ų1552 Ų5210%0.09729%0.292CS..  trans-70.3139.7176.228.7-35.4000110.5Y209 K396 G399 I401Y209-P394 HydrophobicContact CD1-CB 4.23Å; Y209-P394 HydrophobicContact CE1-CB 3.67Å; P394-K396 PolarHBondContact O-N 2.91Å; P394-G399 WeakPolarHBondContact CD-O 3.41Å; P394-G399 WeakPolarHBondContact CG-O 3.24Å; P394-I401 HydrophobicContact CB-CD1 3.97Å; P394-I401 HydrophobicContact CB-CG1 4.29Å
395H54.4Low74.2Confident195 Ų19550.8 Ų50.890%0.90328%0.283SS*.SBendtrans-65.3-21.8173.5-64.2-62.1000113.1
396K49Very low73.9Confident194 Ų19451 Ų5184%0.84328%0.277SS*.SBendtrans-149.9124.2171.3-67.8-173.3179.21790109.4P394P394-K396 PolarHBondContact O-N 2.91Å
397G51.2Low73.4Confident65 Ų6554.4 Ų54.467%0.6729%0.288SS*.SBendtrans128.5169.817800000114.1
398S57.8Low72.8Confident110 Ų11062.1 Ų62.177%0.76932%0.317SS*.SBendtrans-110.599179.350.80000110.6
399G72.1Confident72.4Confident7 Ų762.7 Ų62.77%0.07232%0.319CS..SBendtrans156.9152.6174.500000113.2P394 A479 V482P394-G399 WeakPolarHBondContact CD-O 3.41Å; P394-G399 WeakPolarHBondContact CG-O 3.24Å; G399-A479 CarbonylContact C-O 3.42Å; G399-A479 WeakPolarHBondContact CA-O 3.39Å; G399-V482 VanDerWaalsContact N-CG2 3.26Å
400I75.9Confident72.3Confident8 Ų862.7 Ų62.74%0.04132%0.319CS..  trans-83.9130.8173.4-64.6-64.5000110.3Q402 Y470 A479 V482 W485I400-Q402 HydrophobicContact CG2-CG 3.98Å; I400-Y470 HydrophobicContact CD1-CD1 4.46Å; I400-Y470 HydrophobicContact CD1-CD2 3.85Å; I400-Y470 HydrophobicContact CD1-CG 3.85Å; I400-A479 PolarHBondContact N-O 2.79Å; I400-A479 WeakPolarHBondContact O-CB 2.83Å; I400-V482 HydrophobicContact CD1-CG1 3.95Å; I400-V482 HydrophobicContact CG1-CG1 4.37Å; I400-V482 HydrophobicContact CG1-CG2 4.3Å; I400-W485 HydrophobicContact CB-CD2 4.16Å; I400-W485 HydrophobicContact CB-CE3 4.27Å; I400-W485 HydrophobicContact CB-CH2 4.34Å; I400-W485 HydrophobicContact CB-CZ2 4.2Å; I400-W485 HydrophobicContact CB-CZ3 4.36Å; I400-W485 HydrophobicContact CD1-CB 4.45Å; I400-W485 HydrophobicContact CD1-CD2 4.42Å; I400-W485 HydrophobicContact CD1-CG 4.4Å; I400-W485 HydrophobicContact CG1-CB 4.27Å; I400-W485 HydrophobicContact CG1-CD2 3.55Å; I400-W485 HydrophobicContact CG1-CE3 3.89Å; I400-W485 HydrophobicContact CG1-CG 3.71Å; I400-W485 HydrophobicContact CG1-CZ2 4.43Å; I400-W485 HydrophobicContact CG1-CZ3 4.48Å; I400-W485 HydrophobicContact CG2-CD2 4.25Å; I400-W485 HydrophobicContact CG2-CE3 3.84Å; I400-W485 HydrophobicContact CG2-CH2 3.88Å; I400-W485 HydrophobicContact CG2-CZ2 4.25Å; I400-W485 HydrophobicContact CG2-CZ3 3.65Å
401I71Confident72.2Confident35 Ų3563.5 Ų63.518%0.17932%0.324CS..BIsolated β-bridgetrans-83.7120.3177.9-51.7166.4000108.6Y209 G391 F392 P394Y209-I401 HydrophobicContact CD1-CD1 3.22Å; Y209-I401 HydrophobicContact CD1-CG1 3.58Å; Y209-I401 HydrophobicContact CD2-CB 4.34Å; Y209-I401 HydrophobicContact CD2-CD1 4.11Å; Y209-I401 HydrophobicContact CD2-CG1 3.74Å; Y209-I401 HydrophobicContact CD2-CG2 3.8Å; Y209-I401 HydrophobicContact CE1-CD1 3.75Å; Y209-I401 HydrophobicContact CE1-CG1 3.7Å; Y209-I401 HydrophobicContact CE2-CG1 3.85Å; Y209-I401 HydrophobicContact CE2-CG2 4.45Å; Y209-I401 HydrophobicContact CG-CB 4.45Å; Y209-I401 HydrophobicContact CG-CD1 3.44Å; Y209-I401 VanDerWaalsContact CG-CD1 3.44Å; Y209-I401 HydrophobicContact CG-CG1 3.62Å; Y209-I401 HydrophobicContact CG-CG2 3.99Å; G391-I401 CarbonylContact C-O 3.59Å; G391-I401 WeakPolarHBondContact CA-O 3.45Å; F392-I401 HydrophobicContact CB-CB 4.32Å; F392-I401 PolarHBondContact N-O 2.76Å; F392-I401 PolarHBondContact O-N 3.27Å; P394-I401 HydrophobicContact CB-CD1 3.97Å; P394-I401 HydrophobicContact CB-CG1 4.29Å
402Q73Confident72.5Confident53 Ų5363.6 Ų63.625%0.24832%0.324CS..  trans-122.7145.4177.8-56.2-171.7-86.500111.1A390 I400 W485A390-Q402 PolarHBondContact O-NE2 3.31Å; I400-Q402 HydrophobicContact CG2-CG 3.98Å; Q402-W485 VanDerWaalsContact CD-CH2 3.46Å; Q402-W485 HydrophobicContact CG-CH2 4.15Å; Q402-W485 VanDerWaalsContact NE2-CH2 3.33Å
403T70.1Confident72.7Confident50 Ų5061 Ų6131%0.30731%0.313SS..  trans-70.6142.2162.3173.10000109.3N405 R408 Q409T403-N405 WeakPolarHBondContact CG2-O 3.42Å; T403-N405 PolarHBondContact O-N 3.33Å; T403-N405 PolarHBondContact OG1-N 3.27Å; T403-R408 HydrophobicContact CG2-CB 4.22Å; T403-Q409 HydrophobicContact CG2-CB 4.21Å; T403-Q409 HydrophobicContact CG2-CG 3.37Å; T403-Q409 PolarHBondContact O-NE2 3.47Å
404T66.4Low73.2Confident42 Ų4260 Ų6026%0.25831%0.308SS..SBendtrans-62.5-29.917563.60000111Q368 V374 R406Q368-T404 HydrophobicContact CB-CG2 4.3Å; Q368-T404 PolarHBondContact OE1-OG1 3.36Å; V374-T404 WeakPolarHBondContact CG1-O 2.85Å; V374-T404 WeakPolarHBondContact CG2-O 3.09Å; T404-R406 PolarHBondContact O-N 2.84Å
405N71.6Confident74.2Confident65 Ų6561.4 Ų61.435%0.34832%0.319SS..  trans-78.896.8175.5-173-17.7000110.8T403 Y407 R408 Q409T403-N405 WeakPolarHBondContact CG2-O 3.42Å; T403-N405 PolarHBondContact O-N 3.33Å; T403-N405 PolarHBondContact OG1-N 3.27Å; N405-Y407 PolarHBondContact O-N 3.13Å; N405-Y407 WeakPolarHBondContact OD1-CB 3.03Å; N405-Y407 PolarHBondContact OD1-N 3.2Å; N405-Y407 VanDerWaalsContact OD1-N 3.12Å; N405-R408 HydrophobicContact CB-CB 4.26Å; N405-R408 HydrophobicContact CB-CG 4.32Å; N405-R408 WeakPolarHBondContact O-CA 3.48Å; N405-R408 PolarHBondContact O-N 3.01Å; N405-Q409 PolarHBondContact O-N 3.04Å
406R78.6Confident75.3Confident27 Ų2753 Ų5310%0.10228%0.281CS..G310 helixtrans-54.3-34.3178.5-88.3-178.9-166-121.5-1.3114.5V374 P375 L376 S377 P387 T404 R408 Q409 G475V374-R406 HydrophobicContact CG1-CB 3.97Å; V374-R406 HydrophobicContact CG1-CG 3.54Å; P375-R406 WeakPolarHBondContact O-CD 3.46Å; P375-R406 PolarHBondContact O-NE 3.19Å; L376-R406 VanDerWaalsContact CD2-NH2 3.25Å; S377-R406 VanDerWaalsContact N-NH1 3.11Å; S377-R406 PolarHBondContact OG-NH1 3.17Å; S377-R406 VanDerWaalsContact OG-NH1 3.16Å; P387-R406 HydrophobicContact CG-CB 4.05Å; T404-R406 PolarHBondContact O-N 2.84Å; R406-R408 PolarHBondContact O-N 3.16Å; R406-R408 VanDerWaalsContact O-N 3.13Å; R406-Q409 PolarHBondContact O-N 3.12Å; R406-G475 PolarHBondContact NH1-O 3.36Å
407Y79.8Confident76.7Confident110 Ų11048.4 Ų48.443%0.43128%0.279SS..G310 helixtrans-69.7-7.3176.1-65-84.4000113.5P387 N405 T411 P430 L432P387-Y407 HydrophobicContact CB-CD1 4.03Å; P387-Y407 HydrophobicContact CB-CE1 4.32Å; P387-Y407 HydrophobicContact CG-CD1 3.85Å; P387-Y407 HydrophobicContact CG-CD2 4.48Å; P387-Y407 HydrophobicContact CG-CE1 3.81Å; P387-Y407 HydrophobicContact CG-CE2 4.43Å; P387-Y407 HydrophobicContact CG-CG 4.21Å; N405-Y407 PolarHBondContact O-N 3.13Å; N405-Y407 WeakPolarHBondContact OD1-CB 3.03Å; N405-Y407 PolarHBondContact OD1-N 3.2Å; N405-Y407 VanDerWaalsContact OD1-N 3.12Å; Y407-T411 WeakPolarHBondContact O-CG2 3.47Å; Y407-P430 HydrophobicContact CD1-CB 3.96Å; Y407-P430 HydrophobicContact CD1-CG 3.91Å; Y407-P430 WeakPolarHBondContact O-CB 3.48Å; Y407-L432 HydrophobicContact CE1-CD2 4.45Å
408R78.6Confident78Confident168 Ų16852 Ų5263%0.63428%0.278SS*.G310 helixtrans-111.30.7176-65.9-170.9175-155.9-0.3113.7T403 N405 R406T403-R408 HydrophobicContact CG2-CB 4.22Å; N405-R408 HydrophobicContact CB-CB 4.26Å; N405-R408 HydrophobicContact CB-CG 4.32Å; N405-R408 WeakPolarHBondContact O-CA 3.48Å; N405-R408 PolarHBondContact O-N 3.01Å; R406-R408 PolarHBondContact O-N 3.16Å; R406-R408 VanDerWaalsContact O-N 3.13Å
409Q84Confident79Confident12 Ų1250.7 Ų50.76%0.05626%0.26CS..THydrogen-bonded Turntrans-74.1-45-179.1-71.5-179.87.500112.2A390 T403 N405 R406 P468A390-Q409 HydrophobicContact CB-CB 4.28Å; A390-Q409 WeakPolarHBondContact O-CB 3.27Å; A390-Q409 PolarHBondContact O-OE1 2.85Å; T403-Q409 HydrophobicContact CG2-CB 4.21Å; T403-Q409 HydrophobicContact CG2-CG 3.37Å; T403-Q409 PolarHBondContact O-NE2 3.47Å; N405-Q409 PolarHBondContact O-N 3.04Å; R406-Q409 PolarHBondContact O-N 3.12Å; Q409-P468 WeakPolarHBondContact O-CG 3.42Å
410F90.5Very high79.3Confident2 Ų253.3 Ų53.31%0.00927%0.272CS..SBendtrans-131.1112.9177.8-162.4-139.3000110.6L388 A390 V431 F467 P468 I488 I514 V534L388-F410 HydrophobicContact CB-CB 4.28Å; L388-F410 HydrophobicContact CB-CD1 3.9Å; L388-F410 HydrophobicContact CD1-CD1 3.74Å; L388-F410 HydrophobicContact CD1-CE1 3.9Å; L388-F410 HydrophobicContact CG-CD1 4.36Å; A390-F410 HydrophobicContact CB-CB 3.79Å; A390-F410 HydrophobicContact CB-CD2 4.42Å; A390-F410 HydrophobicContact CB-CG 4.28Å; F410-V431 HydrophobicContact CD1-CB 3.65Å; F410-V431 HydrophobicContact CD1-CG1 3.96Å; F410-V431 HydrophobicContact CD1-CG2 3.77Å; F410-V431 HydrophobicContact CE1-CB 4.24Å; F410-V431 HydrophobicContact CE1-CG1 4.16Å; F410-V431 HydrophobicContact CE1-CG2 4.12Å; F410-V431 HydrophobicContact CG-CB 4.38Å; F410-V431 HydrophobicContact CG-CG2 4.28Å; F410-V431 PolarHBondContact O-N 2.84Å; F410-F467 HydrophobicContact CD2-CE2 4.39Å; F410-F467 HydrophobicContact CD2-CZ 4.31Å; F410-F467 AromaticContact CE2-CE1 3.93Å; F410-F467 HydrophobicContact CE2-CE1 3.93Å; F410-F467 AromaticContact CE2-CE2 3.84Å; F410-F467 HydrophobicContact CE2-CE2 3.84Å; F410-F467 AromaticContact CE2-CZ 3.39Å; F410-F467 HydrophobicContact CE2-CZ 3.39Å; F410-F467 HydrophobicContact CZ-CZ 4.1Å; F410-P468 HydrophobicContact CD2-CG 3.42Å; F410-P468 VanDerWaalsContact CD2-CG 3.42Å; F410-P468 HydrophobicContact CE2-CG 3.95Å; F410-P468 HydrophobicContact CG-CG 4.39Å; F410-I488 HydrophobicContact CD2-CD1 4.45Å; F410-I488 HydrophobicContact CE2-CD1 3.7Å; F410-I488 HydrophobicContact CZ-CD1 4.14Å; F410-I514 HydrophobicContact CE1-CG2 4.3Å; F410-I514 HydrophobicContact CZ-CD1 4.14Å; F410-I514 HydrophobicContact CZ-CG2 3.9Å; F410-V534 HydrophobicContact CZ-CG1 4.3Å
411T89.1Confident79.5Confident18 Ų1853.5 Ų53.511%0.1127%0.274CS..EExtended strand (participates in β ladder)trans-141147.2-168.565.90000113.5Y407 R428 T429Y407-T411 WeakPolarHBondContact O-CG2 3.47Å; T411-R428 HydrophobicContact CG2-CB 4.2Å; T411-R428 PolarHBondContact O-NH2 3.31Å; T411-R428 VanDerWaalsContact OG1-CD 3.28Å; T411-R428 WeakPolarHBondContact OG1-CD 3.41Å; T411-R428 PolarHBondContact OG1-NE 3.17Å; T411-T429 CarbonylContact C-O 3.58Å; T411-T429 WeakPolarHBondContact CA-O 3.49Å; T411-T429 WeakPolarHBondContact CB-O 3.38Å
412I90.8Very high79.6Confident2 Ų254.5 Ų54.51%0.0128%0.28CS..EExtended strand (participates in β ladder)trans-111.5174.7173.662.1172.2000111H414 R428 T429 V431 M437 I514 T558 V560I412-H414 PolarHBondContact O-N 2.96Å; I412-R428 WeakPolarHBondContact O-CB 3.48Å; I412-T429 PolarHBondContact N-O 3.21Å; I412-T429 PolarHBondContact O-N 2.96Å; I412-V431 HydrophobicContact CG2-CG2 3.8Å; I412-M437 HydrophobicContact CD1-CB 4.11Å; I412-I514 HydrophobicContact CG2-CD1 3.88Å; I412-T558 HydrophobicContact CB-CG2 4.5Å; I412-V560 HydrophobicContact CD1-CG2 4.08Å; I412-V560 HydrophobicContact CG2-CG2 3.6Å
413L87Confident79.2Confident10 Ų1054.4 Ų54.45%0.05229%0.288CS..EExtended strand (participates in β ladder)trans-54.7137.5176.9-178.675.5000110.7T429 S439 C441 I556 T558L413-T429 PolarHBondContact O-OG1 2.86Å; L413-S439 WeakPolarHBondContact O-CB 3.41Å; L413-S439 PolarHBondContact O-OG 2.91Å; L413-C441 HydrophobicContact CD2-CB 4.21Å; L413-C441 WeakPolarHBondContact CD2-SG 3.08Å; L413-I556 HydrophobicContact CD2-CG2 4.37Å; L413-T558 HydrophobicContact CB-CG2 3.56Å; L413-T558 WeakPolarHBondContact CB-OG1 3.37Å; L413-T558 PolarHBondContact N-OG1 2.88Å
414H83.8Confident78.8Confident71 Ų7156.7 Ų56.733%0.32930%0.298SS..PPolyproline II helixtrans-93.3134.4171.5-174.9-86.7000110.2I412 V427 T429I412-H414 PolarHBondContact O-N 2.96Å; H414-V427 HydrophobicContact CB-CG1 4.4Å; H414-V427 WeakPolarHBondContact CB-O 3.16Å; H414-T429 WeakPolarHBondContact CA-OG1 3.49Å; H414-T429 PolarHBondContact CD2-OG1 2.79Å; H414-T429 VanDerWaalsContact CD2-OG1 3.32Å
415S83.8Confident78.4Confident46 Ų4661.7 Ų61.732%0.32232%0.318SS..PPolyproline II helixtrans-101.4139176.5-166.10000109.9S439 G440S415-S439 PolarHBondContact N-OG 2.93Å; S415-G440 VanDerWaalsContact CB-O 3.3Å; S415-G440 WeakPolarHBondContact CB-O 3.26Å; S415-G440 PolarHBondContact OG-O 2.99Å
416T77.1Confident77.9Confident19 Ų1962 Ų6212%0.11734%0.337CS..  trans-107.8168.5173.977.30000110.6E418 Q419 L424T416-E418 WeakPolarHBondContact CB-OE2 3.38Å; T416-E418 PolarHBondContact O-N 3.29Å; T416-E418 PolarHBondContact OG1-N 2.85Å; T416-E418 PolarHBondContact OG1-OE2 2.83Å; T416-Q419 WeakPolarHBondContact O-CA 3.29Å; T416-Q419 PolarHBondContact O-N 2.91Å; T416-Q419 PolarHBondContact OG1-N 2.96Å; T416-L424 HydrophobicContact CG2-CD1 3.85Å; T416-L424 HydrophobicContact CG2-CG 4.34Å
417A79.3Confident77.5Confident96 Ų9664.1 Ų64.179%0.79335%0.352SS*.THydrogen-bonded Turntrans-60.2-34.6177.600000112.3Q419A417-Q419 PolarHBondContact O-N 3.09Å
418E77.1Confident77.5Confident140 Ų14061.2 Ų61.265%0.65434%0.341SS*.THydrogen-bonded Turntrans-77.2-12.1177.6-53.170.3-14900112.2T416 D420T416-E418 WeakPolarHBondContact CB-OE2 3.38Å; T416-E418 PolarHBondContact O-N 3.29Å; T416-E418 PolarHBondContact OG1-N 2.85Å; T416-E418 PolarHBondContact OG1-OE2 2.83Å; E418-D420 PolarHBondContact O-N 3.3Å
419Q79.7Confident77.9Confident83 Ų8354.6 Ų54.639%0.38832%0.319SS..  trans55.529.2-177.3-56.4-177.6-32.100113.2T416 A417 C441 K442T416-Q419 WeakPolarHBondContact O-CA 3.29Å; T416-Q419 PolarHBondContact O-N 2.91Å; T416-Q419 PolarHBondContact OG1-N 2.96Å; A417-Q419 PolarHBondContact O-N 3.09Å; Q419-C441 CarbonylContact O-C 3.54Å; Q419-K442 HydrophobicContact CB-CD 4.29Å; Q419-K442 WeakPolarHBondContact O-CA 3.46Å; Q419-K442 WeakPolarHBondContact O-CB 3.43Å; Q419-K442 PolarHBondContact O-N 2.83Å
420D79Confident78.2Confident62 Ų6255.4 Ų55.433%0.33233%0.326SS..BIsolated β-bridgetrans-92.4126.2177.7-173.9-12.4000110.4E418 L422 A423E418-D420 PolarHBondContact O-N 3.3Å; D420-L422 PolarHBondContact O-N 3.04Å; D420-L422 PolarHBondContact OD1-N 2.85Å; D420-A423 HydrophobicContact CB-CB 3.95Å; D420-A423 PolarHBondContact O-N 2.87Å
421C78.8Confident78.3Confident12 Ų1255.3 Ų55.38%0.08133%0.325CS..THydrogen-bonded Turntrans-63.7-19.8178.8-59.90000114.1C441 K442 L443 L461C421-C441 WeakPolarHBondContact CA-SG 3.35Å; C421-C441 HydrophobicContact CB-CB 3.94Å; C421-C441 WeakPolarHBondContact CB-SG 3.44Å; C421-C441 WeakPolarHBondContact SG-CB 3.33Å; C421-C441 CovalentContact SG-SG 2.02Å; C421-C441 PolarHBondContact SG-SG 2.95Å; C421-K442 PolarHBondContact N-O 3.35Å; C421-K442 VanDerWaalsContact N-O 3.16Å; C421-K442 PolarHBondContact SG-N 2.88Å; C421-K442 PolarHBondContact SG-O 3.18Å; C421-L443 HydrophobicContact CB-CB 4.35Å; C421-L443 HydrophobicContact CB-CD1 4.34Å; C421-L461 HydrophobicContact CB-CD1 4.13Å
422L74.3Confident78.5Confident56 Ų5656.3 Ų56.329%0.29333%0.329SS..THydrogen-bonded Turntrans-108.8-2.6-175.2-55-179.2000113.4D420 L424 L443 L461D420-L422 PolarHBondContact O-N 3.04Å; D420-L422 PolarHBondContact OD1-N 2.85Å; L422-L424 VanDerWaalsContact C-N 3.3Å; L422-L424 PolarHBondContact O-N 3.05Å; L422-L443 HydrophobicContact CD1-CD1 3.88Å; L422-L443 HydrophobicContact CD2-CD1 4.19Å; L422-L443 HydrophobicContact CG-CD1 3.91Å; L422-L461 HydrophobicContact CD2-CD2 4.3Å
423A63.2Low78.7Confident51 Ų5156.4 Ų56.442%0.42133%0.33SS..THydrogen-bonded Turntrans-64.9-31.5-17700000113.7D420D420-A423 HydrophobicContact CB-CB 3.95Å; D420-A423 PolarHBondContact O-N 2.87Å
424L63.4Low78.8Confident98 Ų9857.6 Ų57.651%0.51335%0.345SS..THydrogen-bonded Turntrans-137.570.6179.3-70.1174.1000110.5T416 L422 G426 V427T416-L424 HydrophobicContact CG2-CD1 3.85Å; T416-L424 HydrophobicContact CG2-CG 4.34Å; L422-L424 VanDerWaalsContact C-N 3.3Å; L422-L424 PolarHBondContact O-N 3.05Å; L424-G426 PolarHBondContact O-N 3.36Å; L424-V427 HydrophobicContact CB-CB 4.28Å; L424-V427 HydrophobicContact CB-CG2 4.12Å; L424-V427 PolarHBondContact O-N 2.9Å
425E56.6Low79.2Confident147 Ų14760.2 Ų60.269%0.68735%0.353SS*.THydrogen-bonded Turntrans-56.5128.3178-72-166.8165.100111.7
426G60.8Low79.5Confident71 Ų7162.8 Ų62.873%0.73237%0.367SS*.THydrogen-bonded Turntrans90.4-9.6176.500000115.9L424L424-G426 PolarHBondContact O-N 3.36Å
427V70.8Confident80.2Confident72 Ų7263.9 Ų63.944%0.43637%0.371SS..  trans-83.2129172.3-176.50000109.3H414 L424H414-V427 HydrophobicContact CB-CG1 4.4Å; H414-V427 WeakPolarHBondContact CB-O 3.16Å; L424-V427 HydrophobicContact CB-CB 4.28Å; L424-V427 HydrophobicContact CB-CG2 4.12Å; L424-V427 PolarHBondContact O-N 2.9Å
428R80.9Confident80.8Confident49 Ų4967.1 Ų67.119%0.18537%0.37CS..EExtended strand (participates in β ladder)trans-134.9154.7-177.5-62-169.665.986.9-6.5110.8T411 I412 L461 L462 G464T411-R428 HydrophobicContact CG2-CB 4.2Å; T411-R428 PolarHBondContact O-NH2 3.31Å; T411-R428 VanDerWaalsContact OG1-CD 3.28Å; T411-R428 WeakPolarHBondContact OG1-CD 3.41Å; T411-R428 PolarHBondContact OG1-NE 3.17Å; I412-R428 WeakPolarHBondContact O-CB 3.48Å; R428-L461 PolarHBondContact NH1-O 2.92Å; R428-L462 PolarHBondContact NH2-O 2.84Å; R428-G464 VanDerWaalsContact NH1-CA 3.31Å
429T85.9Confident81.4Confident29 Ų2961.2 Ų61.218%0.17834%0.344CS..EExtended strand (participates in β ladder)trans-94.1127.9-178.7-51.90000109.8T411 I412 L413 H414 M437T411-T429 CarbonylContact C-O 3.58Å; T411-T429 WeakPolarHBondContact CA-O 3.49Å; T411-T429 WeakPolarHBondContact CB-O 3.38Å; I412-T429 PolarHBondContact N-O 3.21Å; I412-T429 PolarHBondContact O-N 2.96Å; L413-T429 PolarHBondContact O-OG1 2.86Å; H414-T429 WeakPolarHBondContact CA-OG1 3.49Å; H414-T429 PolarHBondContact CD2-OG1 2.79Å; H414-T429 VanDerWaalsContact CD2-OG1 3.32Å; T429-M437 HydrophobicContact CG2-CE 3.66Å
430P90.1Very high81.9Confident30 Ų3058.4 Ų58.420%0.19534%0.337CS..EExtended strand (participates in β ladder)trans-64.6141.7174.526.3-33.7000111.5Y407 L432Y407-P430 HydrophobicContact CD1-CB 3.96Å; Y407-P430 HydrophobicContact CD1-CG 3.91Å; Y407-P430 WeakPolarHBondContact O-CB 3.48Å; P430-L432 HydrophobicContact CB-CD2 4.08Å; P430-L432 HydrophobicContact CG-CD2 4.13Å
431V93.2Very high82.4Confident0 Ų055.7 Ų55.70%032%0.323CS..PPolyproline II helixtrans-81.7117169.1179.50000108.8P387 L388 F410 I412 V560 F562P387-V431 WeakPolarHBondContact CA-O 3.3Å; L388-V431 HydrophobicContact CD1-CG1 3.84Å; L388-V431 HydrophobicContact CG-CG1 4.15Å; L388-V431 PolarHBondContact N-O 2.87Å; F410-V431 HydrophobicContact CD1-CB 3.65Å; F410-V431 HydrophobicContact CD1-CG1 3.96Å; F410-V431 HydrophobicContact CD1-CG2 3.77Å; F410-V431 HydrophobicContact CE1-CB 4.24Å; F410-V431 HydrophobicContact CE1-CG1 4.16Å; F410-V431 HydrophobicContact CE1-CG2 4.12Å; F410-V431 HydrophobicContact CG-CB 4.38Å; F410-V431 HydrophobicContact CG-CG2 4.28Å; F410-V431 PolarHBondContact O-N 2.84Å; I412-V431 HydrophobicContact CG2-CG2 3.8Å; V431-V560 HydrophobicContact CG1-CG1 3.82Å; V431-V560 HydrophobicContact CG1-CG2 4.38Å; V431-V560 HydrophobicContact CG2-CG2 4.03Å; V431-F562 HydrophobicContact CG1-CE2 4.22Å; V431-F562 HydrophobicContact CG1-CZ 3.99Å
432L92.2Very high82.7Confident38 Ų3859 Ų5920%0.19934%0.336CS..BIsolated β-bridgetrans-99.4132.6-178-53.4-178.1000110.6P387 Y407 P430 G434 Y435 F562P387-L432 HydrophobicContact CB-CD2 4.17Å; Y407-L432 HydrophobicContact CE1-CD2 4.45Å; P430-L432 HydrophobicContact CB-CD2 4.08Å; P430-L432 HydrophobicContact CG-CD2 4.13Å; L432-G434 PolarHBondContact O-N 2.81Å; L432-Y435 HydrophobicContact CB-CD2 4.06Å; L432-Y435 PolarHBondContact O-N 2.84Å; L432-F562 VanDerWaalsContact O-CE2 3.24Å; L432-F562 WeakPolarHBondContact O-CE2 2.89Å; L432-F562 WeakPolarHBondContact O-CZ 3.35Å
433F95Very high83.2Confident4 Ų456.5 Ų56.52%0.01832%0.323CS..THydrogen-bonded Turntrans-58.6133.2-179.7-179.4-107.2000111.4Y382 V384 G385 L386 L388 Y435 W518 A529 F562Y382-F433 HydrophobicContact CD1-CB 4.27Å; Y382-F433 HydrophobicContact CD1-CG 4.46Å; Y382-F433 HydrophobicContact CG-CB 4.42Å; Y382-F433 HydrophobicContact CG-CD2 4.16Å; Y382-F433 HydrophobicContact CG-CG 4.11Å; V384-F433 WeakPolarHBondContact CA-O 3.48Å; V384-F433 HydrophobicContact CG2-CD1 4.1Å; V384-F433 HydrophobicContact CG2-CE1 4.11Å; G385-F433 PolarHBondContact N-O 3.3Å; L386-F433 PolarHBondContact O-N 2.96Å; L388-F433 HydrophobicContact CD2-CB 3.91Å; L388-F433 HydrophobicContact CD2-CD2 4.03Å; L388-F433 HydrophobicContact CD2-CG 4.43Å; F433-Y435 VanDerWaalsContact C-N 3.29Å; F433-Y435 PolarHBondContact O-N 2.93Å; F433-W518 HydrophobicContact CE2-CB 4.2Å; F433-W518 HydrophobicContact CE2-CD2 4.13Å; F433-W518 AromaticContact CE2-CG 3.91Å; F433-W518 HydrophobicContact CE2-CG 3.91Å; F433-W518 AromaticContact CZ-CD2 3.81Å; F433-W518 HydrophobicContact CZ-CD2 3.81Å; F433-W518 AromaticContact CZ-CE3 3.99Å; F433-W518 HydrophobicContact CZ-CE3 3.99Å; F433-W518 HydrophobicContact CZ-CG 4.1Å; F433-W518 HydrophobicContact CZ-CZ3 4.49Å; F433-A529 HydrophobicContact CE1-CB 3.68Å; F433-A529 HydrophobicContact CE2-CB 4.37Å; F433-A529 HydrophobicContact CZ-CB 3.47Å; F433-A529 VanDerWaalsContact CZ-CB 3.47Å; F433-F562 HydrophobicContact CD2-CD1 4.05Å; F433-F562 AromaticContact CD2-CE1 3.64Å; F433-F562 HydrophobicContact CD2-CE1 3.64Å; F433-F562 HydrophobicContact CD2-CZ 4.5Å; F433-F562 HydrophobicContact CE2-CD1 4.18Å; F433-F562 HydrophobicContact CE2-CE1 4.2Å; F433-F562 HydrophobicContact CG-CE1 4.48Å
434G90.4Very high84Confident36 Ų3662.2 Ų62.237%0.37133%0.333SS..THydrogen-bonded Turntrans81.5-4.3176.500000115.5L432L432-G434 PolarHBondContact O-N 2.81Å
435Y91Very high84.6Confident125 Ų12558.4 Ų58.449%0.4931%0.314SS..  trans-103.8118.2175.9-72-83.4000110.8V384 L432 F433 M437 F562V384-Y435 HydrophobicContact CG1-CD2 4.31Å; V384-Y435 HydrophobicContact CG1-CE2 3.73Å; L432-Y435 HydrophobicContact CB-CD2 4.06Å; L432-Y435 PolarHBondContact O-N 2.84Å; F433-Y435 VanDerWaalsContact C-N 3.29Å; F433-Y435 PolarHBondContact O-N 2.93Å; Y435-M437 WeakPolarHBondContact O-CG 3.41Å; Y435-M437 PolarHBondContact O-N 3.18Å; Y435-F562 VanDerWaalsContact O-CD2 3.3Å; Y435-F562 WeakPolarHBondContact O-CD2 3.47Å; Y435-F562 WeakPolarHBondContact O-CE2 3.42Å
436T91.2Very high85Confident101 Ų10156.8 Ų56.862%0.6231%0.314SS*.  trans-73.3124.3166.4-65.80000108.3V560 T561T436-V560 CarbonylContact C-O 3.53Å; T436-V560 VanDerWaalsContact CA-O 3.31Å; T436-V560 WeakPolarHBondContact CA-O 3.37Å; T436-V560 WeakPolarHBondContact CG2-O 3.38Å; T436-T561 HydrophobicContact CG2-CG2 4.07Å
437M90.6Very high85.2Confident42 Ų4255.2 Ų55.221%0.20730%0.298CS..EExtended strand (participates in β ladder)trans-125.5143.1-171.1-59.8179.280.300110.7I412 T429 Y435 A559 V560I412-M437 HydrophobicContact CD1-CB 4.11Å; T429-M437 HydrophobicContact CG2-CE 3.66Å; Y435-M437 WeakPolarHBondContact O-CG 3.41Å; Y435-M437 PolarHBondContact O-N 3.18Å; M437-A559 CarbonylContact O-C 3.49Å; M437-A559 WeakPolarHBondContact O-CA 3.36Å; M437-V560 PolarHBondContact N-O 2.81Å; M437-V560 PolarHBondContact O-N 3.15Å
438Q92.4Very high85Confident164 Ų16455.2 Ų55.277%0.76631%0.305SS*.EExtended strand (participates in β ladder)trans-136.3135.1170.8-171.9177.611.300109.4T558 A559Q438-T558 WeakPolarHBondContact CA-O 3.47Å; Q438-A559 HydrophobicContact CG-CB 4.39Å
439S90.6Very high84.6Confident16 Ų1657.5 Ų57.511%0.11232%0.321CS..EExtended strand (participates in β ladder)trans-139.6148.9179.5-1790000109.9L413 S415 S557 T558L413-S439 WeakPolarHBondContact O-CB 3.41Å; L413-S439 PolarHBondContact O-OG 2.91Å; S415-S439 PolarHBondContact N-OG 2.93Å; S439-S557 CarbonylContact O-C 3.58Å; S439-S557 VanDerWaalsContact O-CA 3.27Å; S439-S557 WeakPolarHBondContact O-CA 3.26Å; S439-S557 WeakPolarHBondContact O-CB 3.25Å; S439-T558 PolarHBondContact N-O 2.98Å; S439-T558 PolarHBondContact O-N 3.29Å
440G89.9Confident84.3Confident24 Ų2459.9 Ų59.925%0.24734%0.337CS..EExtended strand (participates in β ladder)trans-158.7158.7-18000000113.5S415 I556S415-G440 VanDerWaalsContact CB-O 3.3Å; S415-G440 WeakPolarHBondContact CB-O 3.26Å; S415-G440 PolarHBondContact OG-O 2.99Å; G440-I556 CarbonylContact C-O 3.14Å; G440-I556 WeakPolarHBondContact CA-O 3.37Å
441C88.6Confident83.8Confident5 Ų558.8 Ų58.83%0.03433%0.329CS..EExtended strand (participates in β ladder)trans-146.9167.317866.40000110.7L413 Q419 C421 I556L413-C441 HydrophobicContact CD2-CB 4.21Å; L413-C441 WeakPolarHBondContact CD2-SG 3.08Å; Q419-C441 CarbonylContact O-C 3.54Å; C421-C441 WeakPolarHBondContact CA-SG 3.35Å; C421-C441 HydrophobicContact CB-CB 3.94Å; C421-C441 WeakPolarHBondContact CB-SG 3.44Å; C421-C441 WeakPolarHBondContact SG-CB 3.33Å; C421-C441 CovalentContact SG-SG 2.02Å; C421-C441 PolarHBondContact SG-SG 2.95Å; C441-I556 PolarHBondContact N-O 2.66Å; C441-I556 PolarHBondContact O-N 3.17Å
442K86.1Confident83.2Confident82 Ų8267.9 Ų67.936%0.35736%0.364SS..EExtended strand (participates in β ladder)trans-107.8123.5178.7-69168.7180162.50108Q419 C421 T553 I554 L555Q419-K442 HydrophobicContact CB-CD 4.29Å; Q419-K442 WeakPolarHBondContact O-CA 3.46Å; Q419-K442 WeakPolarHBondContact O-CB 3.43Å; Q419-K442 PolarHBondContact O-N 2.83Å; C421-K442 PolarHBondContact N-O 3.35Å; C421-K442 VanDerWaalsContact N-O 3.16Å; C421-K442 PolarHBondContact SG-N 2.88Å; C421-K442 PolarHBondContact SG-O 3.18Å; K442-T553 HydrophobicContact CB-CG2 3.72Å; K442-T553 HydrophobicContact CD-CG2 4.49Å; K442-T553 HydrophobicContact CG-CG2 4.04Å; K442-I554 WeakPolarHBondContact CA-O 3.5Å; K442-L555 HydrophobicContact CG-CD2 3.68Å
443L83.7Confident82.7Confident2 Ų270.7 Ų70.71%0.0138%0.378CS..EExtended strand (participates in β ladder)trans-103114.9171.8-179.766.9000108.6C421 L422 L445 V458 L461 T553 I554 I556C421-L443 HydrophobicContact CB-CB 4.35Å; C421-L443 HydrophobicContact CB-CD1 4.34Å; L422-L443 HydrophobicContact CD1-CD1 3.88Å; L422-L443 HydrophobicContact CD2-CD1 4.19Å; L422-L443 HydrophobicContact CG-CD1 3.91Å; L443-L445 HydrophobicContact CD2-CD2 4.23Å; L443-L445 HydrophobicContact CG-CD2 4.28Å; L443-V458 HydrophobicContact CD2-CG2 3.79Å; L443-L461 HydrophobicContact CD1-CD1 4.37Å; L443-L461 HydrophobicContact CD2-CD1 4.21Å; L443-T553 WeakPolarHBondContact O-CA 3.47Å; L443-I554 HydrophobicContact CB-CB 4.47Å; L443-I554 PolarHBondContact N-O 2.85Å; L443-I554 PolarHBondContact O-N 2.91Å; L443-I556 HydrophobicContact CB-CD1 3.71Å; L443-I556 HydrophobicContact CD2-CD1 3.96Å; L443-I556 HydrophobicContact CG-CD1 4.45Å
444R79.9Confident82.1Confident171 Ų17170.7 Ų70.765%0.64538%0.379SS*.EExtended strand (participates in β ladder)trans-86.3132.1174.3-63.6-176.3-177.6178.83.7110.1
445L75.8Confident81.8Confident19 Ų1969.9 Ų69.910%0.09937%0.368CS..EExtended strand (participates in β ladder)trans-108.4113.6175.3-59.7-178.5000109.4L443 G447 L449 V454 F543 E551 R552 I554L443-L445 HydrophobicContact CD2-CD2 4.23Å; L443-L445 HydrophobicContact CG-CD2 4.28Å; L445-G447 PolarHBondContact O-N 3.3Å; L445-L449 HydrophobicContact CD2-CD1 4.36Å; L445-V454 HydrophobicContact CD1-CG1 4.04Å; L445-V454 HydrophobicContact CD1-CG2 4.27Å; L445-V454 HydrophobicContact CD2-CG1 4.25Å; L445-V454 HydrophobicContact CD2-CG2 4.5Å; L445-F543 HydrophobicContact CD1-CZ 4.2Å; L445-E551 WeakPolarHBondContact O-CA 3.3Å; L445-R552 PolarHBondContact N-O 3.18Å; L445-R552 PolarHBondContact O-N 3.39Å; L445-I554 HydrophobicContact CD1-CD1 3.42Å; L445-I554 VanDerWaalsContact CD1-CD1 3.42Å; L445-I554 HydrophobicContact CD1-CG1 4.36Å; L445-I554 HydrophobicContact CD2-CD1 4.44Å; L445-I554 HydrophobicContact CG-CD1 3.96Å
446T65.4Low81.4Confident112 Ų11268.6 Ų68.669%0.68737%0.367SS*.  trans-95.479.9176.954.10000109.1
447G66.3Low81Confident38 Ų3868.5 Ų68.539%0.39236%0.358SS..SBendtrans120.5173.8174.900000115.8L445 L449L445-G447 PolarHBondContact O-N 3.3Å; G447-L449 PolarHBondContact O-N 3.46Å
448A66.8Low80.8Confident73 Ų7366.5 Ų66.560%0.60335%0.348SS*.  trans-78.39717900000110.5
449L71.8Confident80.4Confident97 Ų9763.6 Ų63.651%0.50833%0.333SS..  trans-99.9141.7175.2-71.5170.3000111.1L445 G447 C451 V454L445-L449 HydrophobicContact CD2-CD1 4.36Å; G447-L449 PolarHBondContact O-N 3.46Å; L449-C451 PolarHBondContact O-N 3.39Å; L449-V454 HydrophobicContact CB-CG2 3.77Å; L449-V454 HydrophobicContact CD1-CG2 4.45Å
450P79.5Confident80Confident78 Ų7868.1 Ų68.151%0.50636%0.356SS..  trans-55.6129.6171.7-22.630.6000110.9R452 L453 V454P450-R452 PolarHBondContact O-N 2.98Å; P450-R452 VanDerWaalsContact O-N 3.15Å; P450-L453 HydrophobicContact CB-CD1 4.31Å; P450-L453 HydrophobicContact CB-CG 4.33Å; P450-L453 HydrophobicContact CG-CD1 4Å; P450-L453 WeakPolarHBondContact O-CB 3.39Å; P450-L453 PolarHBondContact O-N 2.87Å; P450-V454 PolarHBondContact O-N 3.3Å
451C78.6Confident79.7Confident7 Ų768.3 Ų68.35%0.04735%0.351CS..Hα-helixtrans-60.3-32.4-173.3178.10000113.2L449 L453 V454 A455 C506 F543L449-C451 PolarHBondContact O-N 3.39Å; C451-L453 VanDerWaalsContact C-N 3.28Å; C451-L453 PolarHBondContact O-N 3.46Å; C451-V454 PolarHBondContact O-N 3.1Å; C451-A455 WeakPolarHBondContact O-CB 3.31Å; C451-A455 PolarHBondContact O-N 3.01Å; C451-C506 HydrophobicContact CB-CB 3.42Å; C451-C506 VanDerWaalsContact CB-CB 3.42Å; C451-C506 WeakPolarHBondContact CB-SG 3.38Å; C451-C506 WeakPolarHBondContact SG-CB 3.38Å; C451-C506 CovalentContact SG-SG 2Å; C451-C506 PolarHBondContact SG-SG 2.8Å; C451-F543 HydrophobicContact CB-CD1 4.07Å; C451-F543 VanDerWaalsContact SG-CD1 3.54Å
452R81.8Confident79.6Confident192 Ų19268.1 Ų68.173%0.72535%0.35SS*.Hα-helixtrans-56.7-39.7174.1-172.3179.8-179.3-176.61.8112.9P450 Q456P450-R452 PolarHBondContact O-N 2.98Å; P450-R452 VanDerWaalsContact O-N 3.15Å; R452-Q456 WeakPolarHBondContact O-CG 3.35Å; R452-Q456 PolarHBondContact O-N 3.31Å
453L81.3Confident79.5Confident96 Ų9665.7 Ų65.750%0.50334%0.338SS..Hα-helixtrans-71.8-41178.8-65.5179.3000111.1P450 C451 Q456 K457P450-L453 HydrophobicContact CB-CD1 4.31Å; P450-L453 HydrophobicContact CB-CG 4.33Å; P450-L453 HydrophobicContact CG-CD1 4Å; P450-L453 WeakPolarHBondContact O-CB 3.39Å; P450-L453 PolarHBondContact O-N 2.87Å; C451-L453 VanDerWaalsContact C-N 3.28Å; C451-L453 PolarHBondContact O-N 3.46Å; L453-Q456 PolarHBondContact O-N 3.33Å; L453-K457 WeakPolarHBondContact O-CB 3.31Å; L453-K457 PolarHBondContact O-N 3.33Å
454V82.3Confident79.1Confident5 Ų566.4 Ų66.43%0.0335%0.346CS..Hα-helixtrans-62-45.7174.8-174.20000110L445 L449 P450 C451 Q456 K457 V458 L508 I554L445-V454 HydrophobicContact CD1-CG1 4.04Å; L445-V454 HydrophobicContact CD1-CG2 4.27Å; L445-V454 HydrophobicContact CD2-CG1 4.25Å; L445-V454 HydrophobicContact CD2-CG2 4.5Å; L449-V454 HydrophobicContact CB-CG2 3.77Å; L449-V454 HydrophobicContact CD1-CG2 4.45Å; P450-V454 PolarHBondContact O-N 3.3Å; C451-V454 PolarHBondContact O-N 3.1Å; V454-Q456 PolarHBondContact O-N 3.39Å; V454-K457 PolarHBondContact O-N 3.48Å; V454-V458 HydrophobicContact CG1-CG2 4.21Å; V454-V458 VanDerWaalsContact O-CG2 3.3Å; V454-V458 WeakPolarHBondContact O-CG2 3.36Å; V454-V458 PolarHBondContact O-N 3.18Å; V454-L508 HydrophobicContact CB-CD1 4.19Å; V454-L508 HydrophobicContact CG1-CD1 3.7Å; V454-I554 HydrophobicContact CG1-CD1 3.8Å
455A83.9Confident78.3Confident18 Ų1867.8 Ų67.815%0.14936%0.36CS..Hα-helixtrans-61.1-42178.100000112.7C451 K459 L508C451-A455 WeakPolarHBondContact O-CB 3.31Å; C451-A455 PolarHBondContact O-N 3.01Å; A455-K459 WeakPolarHBondContact O-CB 3.43Å; A455-K459 PolarHBondContact O-N 2.73Å; A455-L508 HydrophobicContact CB-CD1 4.03Å
456Q82.9Confident78Confident99 Ų9969.3 Ų69.346%0.46338%0.38SS..Hα-helixtrans-63.9-43.4173.6-76.5-179-17.200112R452 L453 V454 K459 N460R452-Q456 WeakPolarHBondContact O-CG 3.35Å; R452-Q456 PolarHBondContact O-N 3.31Å; L453-Q456 PolarHBondContact O-N 3.33Å; V454-Q456 PolarHBondContact O-N 3.39Å; Q456-K459 PolarHBondContact O-N 3.16Å; Q456-N460 WeakPolarHBondContact O-CB 3.37Å; Q456-N460 PolarHBondContact O-N 3.06Å; Q456-N460 PolarHBondContact O-ND2 3.46Å; Q456-N460 PolarHBondContact O-OD1 3.36Å
457K82.2Confident78.8Confident99 Ų9965 Ų6543%0.4335%0.352SS..Hα-helixtrans-63.4-46.1178.4-168.8167.6-175.9176.10111.5L453 V454 N460 L461L453-K457 WeakPolarHBondContact O-CB 3.31Å; L453-K457 PolarHBondContact O-N 3.33Å; V454-K457 PolarHBondContact O-N 3.48Å; K457-N460 PolarHBondContact O-N 3.07Å; K457-L461 WeakPolarHBondContact O-CG 3.22Å; K457-L461 PolarHBondContact O-N 2.92Å
458V86.1Confident79.8Confident0 Ų063.3 Ų63.30%033%0.334CS..Hα-helixtrans-65.1-41.3177.1178.70000111.5L443 V454 N460 L461 L462 L508 P509 I556L443-V458 HydrophobicContact CD2-CG2 3.79Å; V454-V458 HydrophobicContact CG1-CG2 4.21Å; V454-V458 VanDerWaalsContact O-CG2 3.3Å; V454-V458 WeakPolarHBondContact O-CG2 3.36Å; V454-V458 PolarHBondContact O-N 3.18Å; V458-N460 VanDerWaalsContact C-N 3.33Å; V458-N460 PolarHBondContact O-N 3.25Å; V458-L461 WeakPolarHBondContact O-CB 3.29Å; V458-L461 PolarHBondContact O-N 2.85Å; V458-L461 VanDerWaalsContact O-N 3.14Å; V458-L462 HydrophobicContact CG1-CD1 4.08Å; V458-L462 HydrophobicContact CG1-CG 4.4Å; V458-L462 WeakPolarHBondContact O-CG 3.22Å; V458-L462 PolarHBondContact O-N 3.49Å; V458-L508 HydrophobicContact CB-CD1 4.42Å; V458-L508 HydrophobicContact CG2-CD1 4.09Å; V458-P509 HydrophobicContact CG1-CG 4.44Å; V458-P509 WeakPolarHBondContact CG1-O 3.39Å; V458-I556 HydrophobicContact CB-CD1 4.3Å; V458-I556 HydrophobicContact CG1-CD1 3.76Å; V458-I556 HydrophobicContact CG1-CG1 3.9Å; V458-I556 HydrophobicContact CG1-CG2 4.22Å; V458-I556 HydrophobicContact CG2-CD1 3.86Å
459K84.8Confident80.7Confident102 Ų10262.7 Ų62.744%0.44332%0.321SS..Hα-helixtrans-57.4-46.9173.7-174.9172.8179.81770110.8A455 Q456 L461 L462 W463 P509A455-K459 WeakPolarHBondContact O-CB 3.43Å; A455-K459 PolarHBondContact O-N 2.73Å; Q456-K459 PolarHBondContact O-N 3.16Å; K459-L461 VanDerWaalsContact C-N 3.29Å; K459-L461 PolarHBondContact O-N 3.14Å; K459-L462 PolarHBondContact O-N 3.12Å; K459-W463 PolarHBondContact O-N 2.83Å; K459-P509 HydrophobicContact CB-CG 4.29Å
460N82.9Confident81.6Confident111 Ų11160 Ų6059%0.59430%0.304SS*.Hα-helixtrans-63.8-32.9177.3-67.2-13.7000112.8Q456 K457 V458 G464Q456-N460 WeakPolarHBondContact O-CB 3.37Å; Q456-N460 PolarHBondContact O-N 3.06Å; Q456-N460 PolarHBondContact O-ND2 3.46Å; Q456-N460 PolarHBondContact O-OD1 3.36Å; K457-N460 PolarHBondContact O-N 3.07Å; V458-N460 VanDerWaalsContact C-N 3.33Å; V458-N460 PolarHBondContact O-N 3.25Å; N460-G464 WeakPolarHBondContact O-CA 3.3Å; N460-G464 PolarHBondContact O-N 2.95Å
461L83.1Confident82.2Confident29 Ų2956.3 Ų56.315%0.15228%0.28CS..Hα-helixtrans-68-44.5174-70.9168.2000111.8C421 L422 R428 L443 K457 V458 K459 I556C421-L461 HydrophobicContact CB-CD1 4.13Å; L422-L461 HydrophobicContact CD2-CD2 4.3Å; R428-L461 PolarHBondContact NH1-O 2.92Å; L443-L461 HydrophobicContact CD1-CD1 4.37Å; L443-L461 HydrophobicContact CD2-CD1 4.21Å; K457-L461 WeakPolarHBondContact O-CG 3.22Å; K457-L461 PolarHBondContact O-N 2.92Å; V458-L461 WeakPolarHBondContact O-CB 3.29Å; V458-L461 PolarHBondContact O-N 2.85Å; V458-L461 VanDerWaalsContact O-N 3.14Å; K459-L461 VanDerWaalsContact C-N 3.29Å; K459-L461 PolarHBondContact O-N 3.14Å; L461-I556 HydrophobicContact CD1-CD1 3.81Å
462L87.3Confident82.9Confident0 Ų056 Ų560%028%0.278CS..Hα-helixtrans-64.1-53.5179.3-73.4171.4000111.7R428 V458 K459 P509 L512 L538 I556 S557 T558R428-L462 PolarHBondContact NH2-O 2.84Å; V458-L462 HydrophobicContact CG1-CD1 4.08Å; V458-L462 HydrophobicContact CG1-CG 4.4Å; V458-L462 WeakPolarHBondContact O-CG 3.22Å; V458-L462 PolarHBondContact O-N 3.49Å; K459-L462 PolarHBondContact O-N 3.12Å; L462-P509 HydrophobicContact CD1-CB 4.23Å; L462-P509 WeakPolarHBondContact CD1-O 3.24Å; L462-L512 HydrophobicContact CB-CB 4.27Å; L462-L512 HydrophobicContact CD2-CB 4Å; L462-L538 HydrophobicContact CD1-CD1 3.62Å; L462-I556 HydrophobicContact CD1-CG2 4.45Å; L462-I556 HydrophobicContact CD2-CG2 3.36Å; L462-I556 HydrophobicContact CG-CG2 3.73Å; L462-S557 VanDerWaalsContact CD2-O 3.23Å; L462-S557 WeakPolarHBondContact CD2-O 3.33Å; L462-T558 HydrophobicContact CD2-CG2 3.71Å
463W84Confident83.3Confident32 Ų3247 Ų4712%0.12125%0.245CC..Hα-helixtrans-77.3-28.8-178.5-64.5107.4000113.3K459 F467 F490 L512 A536 L538K459-W463 PolarHBondContact O-N 2.83Å; W463-F467 HydrophobicContact CB-CB 4.23Å; W463-F467 HydrophobicContact CD2-CG 4.48Å; W463-F467 HydrophobicContact CE3-CB 3.93Å; W463-F467 AromaticContact CE3-CD1 3.58Å; W463-F467 HydrophobicContact CE3-CD1 3.58Å; W463-F467 AromaticContact CE3-CD2 3.55Å; W463-F467 HydrophobicContact CE3-CD2 3.55Å; W463-F467 AromaticContact CE3-CE1 3.84Å; W463-F467 HydrophobicContact CE3-CE1 3.84Å; W463-F467 AromaticContact CE3-CE2 3.79Å; W463-F467 HydrophobicContact CE3-CE2 3.79Å; W463-F467 AromaticContact CE3-CG 3.4Å; W463-F467 HydrophobicContact CE3-CG 3.4Å; W463-F467 AromaticContact CE3-CZ 3.9Å; W463-F467 HydrophobicContact CE3-CZ 3.9Å; W463-F467 AromaticContact CZ3-CD1 3.63Å; W463-F467 HydrophobicContact CZ3-CD1 3.63Å; W463-F467 HydrophobicContact CZ3-CD2 4.11Å; W463-F467 AromaticContact CZ3-CE1 3.45Å; W463-F467 HydrophobicContact CZ3-CE1 3.45Å; W463-F467 VanDerWaalsContact CZ3-CE1 3.45Å; W463-F467 AromaticContact CZ3-CE2 3.93Å; W463-F467 HydrophobicContact CZ3-CE2 3.93Å; W463-F467 AromaticContact CZ3-CG 3.94Å; W463-F467 HydrophobicContact CZ3-CG 3.94Å; W463-F467 AromaticContact CZ3-CZ 3.57Å; W463-F467 HydrophobicContact CZ3-CZ 3.57Å; W463-F490 HydrophobicContact CE3-CE1 4.25Å; W463-F490 AromaticContact CH2-CD1 3.41Å; W463-F490 HydrophobicContact CH2-CD1 3.41Å; W463-F490 VanDerWaalsContact CH2-CD1 3.41Å; W463-F490 AromaticContact CH2-CE1 3.74Å; W463-F490 HydrophobicContact CH2-CE1 3.74Å; W463-F490 HydrophobicContact CZ2-CD1 4.17Å; W463-F490 AromaticContact CZ3-CD1 3.7Å; W463-F490 HydrophobicContact CZ3-CD1 3.7Å; W463-F490 AromaticContact CZ3-CE1 3.5Å; W463-F490 HydrophobicContact CZ3-CE1 3.5Å; W463-F490 VanDerWaalsContact CZ3-CE1 3.5Å; W463-L512 HydrophobicContact CD2-CD2 4.28Å; W463-L512 HydrophobicContact CE3-CD1 4.34Å; W463-L512 HydrophobicContact CE3-CD2 3.87Å; W463-L512 HydrophobicContact CH2-CD1 3.34Å; W463-L512 HydrophobicContact CH2-CD2 4.37Å; W463-L512 HydrophobicContact CZ2-CD1 3.72Å; W463-L512 HydrophobicContact CZ3-CD1 3.69Å; W463-L512 HydrophobicContact CZ3-CD2 3.91Å; W463-L512 HydrophobicContact CZ3-CG 4.46Å; W463-A536 HydrophobicContact CH2-CB 3.71Å; W463-A536 HydrophobicContact CZ3-CB 3.84Å; W463-L538 HydrophobicContact CZ2-CB 4.24Å; W463-L538 HydrophobicContact CZ2-CD1 4.28Å
464G75.1Confident83.7Confident17 Ų1743.4 Ų43.418%0.17523%0.225CC..  trans73.2-176.2-170.200000112.8R428 N460 G466R428-G464 VanDerWaalsContact NH1-CA 3.31Å; N460-G464 WeakPolarHBondContact O-CA 3.3Å; N460-G464 PolarHBondContact O-N 2.95Å; G464-G466 PolarHBondContact O-N 3.38Å
465Q63Low84Confident199 Ų19943.2 Ų43.293%0.9322%0.224SC*.SBendtrans-83.2104.5172.3-67-171.410.400109.5
466G68.2Low84.1Confident51 Ų5144.3 Ų44.353%0.52623%0.227SC..  trans83.374.9177.500000112.5F392 G464F392-G466 VanDerWaalsContact CZ-O 3.31Å; F392-G466 WeakPolarHBondContact CZ-O 3.16Å; G464-G466 PolarHBondContact O-N 3.38Å
467F82.1Confident84.3Confident22 Ų2240.7 Ų40.710%0.09621%0.213CC..  trans-81.6131.6167.5-166.8-91.3000109.4F392 F410 W463 I488 F490 L512 I514 A536F392-F467 WeakPolarHBondContact CE1-O 3.49Å; F410-F467 HydrophobicContact CD2-CE2 4.39Å; F410-F467 HydrophobicContact CD2-CZ 4.31Å; F410-F467 AromaticContact CE2-CE1 3.93Å; F410-F467 HydrophobicContact CE2-CE1 3.93Å; F410-F467 AromaticContact CE2-CE2 3.84Å; F410-F467 HydrophobicContact CE2-CE2 3.84Å; F410-F467 AromaticContact CE2-CZ 3.39Å; F410-F467 HydrophobicContact CE2-CZ 3.39Å; F410-F467 HydrophobicContact CZ-CZ 4.1Å; W463-F467 HydrophobicContact CB-CB 4.23Å; W463-F467 HydrophobicContact CD2-CG 4.48Å; W463-F467 HydrophobicContact CE3-CB 3.93Å; W463-F467 AromaticContact CE3-CD1 3.58Å; W463-F467 HydrophobicContact CE3-CD1 3.58Å; W463-F467 AromaticContact CE3-CD2 3.55Å; W463-F467 HydrophobicContact CE3-CD2 3.55Å; W463-F467 AromaticContact CE3-CE1 3.84Å; W463-F467 HydrophobicContact CE3-CE1 3.84Å; W463-F467 AromaticContact CE3-CE2 3.79Å; W463-F467 HydrophobicContact CE3-CE2 3.79Å; W463-F467 AromaticContact CE3-CG 3.4Å; W463-F467 HydrophobicContact CE3-CG 3.4Å; W463-F467 AromaticContact CE3-CZ 3.9Å; W463-F467 HydrophobicContact CE3-CZ 3.9Å; W463-F467 AromaticContact CZ3-CD1 3.63Å; W463-F467 HydrophobicContact CZ3-CD1 3.63Å; W463-F467 HydrophobicContact CZ3-CD2 4.11Å; W463-F467 AromaticContact CZ3-CE1 3.45Å; W463-F467 HydrophobicContact CZ3-CE1 3.45Å; W463-F467 VanDerWaalsContact CZ3-CE1 3.45Å; W463-F467 AromaticContact CZ3-CE2 3.93Å; W463-F467 HydrophobicContact CZ3-CE2 3.93Å; W463-F467 AromaticContact CZ3-CG 3.94Å; W463-F467 HydrophobicContact CZ3-CG 3.94Å; W463-F467 AromaticContact CZ3-CZ 3.57Å; W463-F467 HydrophobicContact CZ3-CZ 3.57Å; F467-I488 HydrophobicContact CE1-CD1 3.93Å; F467-I488 HydrophobicContact CE1-CG2 4.22Å; F467-F490 AromaticContact CD1-CE1 3.55Å; F467-F490 HydrophobicContact CD1-CE1 3.55Å; F467-F490 AromaticContact CD1-CZ 3.85Å; F467-F490 HydrophobicContact CD1-CZ 3.85Å; F467-F490 AromaticContact CE1-CE1 3.58Å; F467-F490 HydrophobicContact CE1-CE1 3.58Å; F467-F490 HydrophobicContact CE1-CZ 4.04Å; F467-L512 HydrophobicContact CE2-CD2 4.32Å; F467-I514 HydrophobicContact CE2-CD1 4.01Å; F467-I514 HydrophobicContact CZ-CD1 3.89Å; F467-A536 HydrophobicContact CE1-CB 4.37Å; F467-A536 HydrophobicContact CZ-CB 4.35Å
468P88.6Confident84.3Confident2 Ų241.3 Ų41.31%0.01322%0.217CC..  trans-68.3158.8-171.728-35.4000112.7A390 G391 Q409 F410 I488A390-P468 HydrophobicContact CB-CB 3.73Å; A390-P468 HydrophobicContact CB-CG 3.62Å; G391-P468 VanDerWaalsContact O-CB 3.29Å; G391-P468 WeakPolarHBondContact O-CB 3.39Å; Q409-P468 WeakPolarHBondContact O-CG 3.42Å; F410-P468 HydrophobicContact CD2-CG 3.42Å; F410-P468 VanDerWaalsContact CD2-CG 3.42Å; F410-P468 HydrophobicContact CE2-CG 3.95Å; F410-P468 HydrophobicContact CG-CG 4.39Å; P468-I488 HydrophobicContact CG-CD1 4.01Å; P468-I488 WeakPolarHBondContact O-CD1 3.36Å
469D85.4Confident84Confident60 Ų6042.1 Ų42.132%0.32122%0.224SC..SBendtrans-94.1-27.9176.9-55-54.8000111.4G391 F392 Q393 I488G391-D469 PolarHBondContact O-N 3.39Å; F392-D469 WeakPolarHBondContact CA-OD2 3.35Å; Q393-D469 PolarHBondContact N-OD2 2.85Å; D469-I488 PolarHBondContact O-N 3.37Å
470Y90.3Very high83.7Confident42 Ų4243.1 Ų43.117%0.16523%0.231CC..EExtended strand (participates in β ladder)trans-134.4151.3-175.8-67.3-100000112.2A390 G391 Q393 I400 W485 V486 P487A390-Y470 CarbonylContact C-O 3.56Å; A390-Y470 VanDerWaalsContact CA-O 3.22Å; A390-Y470 WeakPolarHBondContact CA-O 3.49Å; A390-Y470 VanDerWaalsContact CB-O 3.31Å; A390-Y470 WeakPolarHBondContact CB-O 3.31Å; G391-Y470 PolarHBondContact N-O 2.91Å; G391-Y470 PolarHBondContact O-N 2.85Å; Q393-Y470 HydrophobicContact CB-CD2 4.07Å; Q393-Y470 HydrophobicContact CB-CE2 3.57Å; Q393-Y470 HydrophobicContact CG-CE2 4.25Å; Q393-Y470 PolarHBondContact OE1-OH 3.46Å; I400-Y470 HydrophobicContact CD1-CD1 4.46Å; I400-Y470 HydrophobicContact CD1-CD2 3.85Å; I400-Y470 HydrophobicContact CD1-CG 3.85Å; Y470-W485 HydrophobicContact CD1-CB 3.92Å; Y470-W485 HydrophobicContact CG-CB 4.37Å; Y470-V486 CarbonylContact C-O 3.53Å; Y470-V486 VanDerWaalsContact CA-O 3.31Å; Y470-V486 WeakPolarHBondContact CA-O 3.43Å; Y470-P487 HydrophobicContact CD1-CB 4.03Å; Y470-P487 HydrophobicContact CE1-CB 3.71Å; Y470-P487 HydrophobicContact CE1-CG 4.42Å
471V93.3Very high83.4Confident0 Ų042 Ų420%022%0.224CC..EExtended strand (participates in β ladder)trans-117.8140.3171.1179.30000108.9A389 A390 W485 V486 I488 I531 V534A389-V471 WeakPolarHBondContact O-CA 3.2Å; A389-V471 WeakPolarHBondContact O-CG1 3.42Å; A390-V471 HydrophobicContact CB-CG2 4.21Å; V471-W485 VanDerWaalsContact C-CE3 3.45Å; V471-V486 PolarHBondContact N-O 2.85Å; V471-V486 PolarHBondContact O-N 2.95Å; V471-I488 HydrophobicContact CG2-CD1 3.67Å; V471-I488 HydrophobicContact CG2-CG1 3.83Å; V471-I531 HydrophobicContact CG1-CD1 3.6Å; V471-I531 HydrophobicContact CG1-CG2 4.33Å; V471-V534 HydrophobicContact CB-CG2 4.1Å; V471-V534 HydrophobicContact CG1-CG2 4.45Å; V471-V534 HydrophobicContact CG2-CG2 3.99Å
472A92Very high83Confident1 Ų142.1 Ų42.11%0.00823%0.226CC..  trans-67.6141.3178.600000110.4Y382 A389 F474 W485Y382-A472 WeakPolarHBondContact CE2-O 3.32Å; Y382-A472 PolarHBondContact OH-O 3.46Å; A389-A472 HydrophobicContact CB-CB 3.89Å; A389-A472 PolarHBondContact O-N 3.01Å; A472-F474 VanDerWaalsContact C-N 3.35Å; A472-W485 HydrophobicContact CB-CD2 4.3Å; A472-W485 HydrophobicContact CB-CE3 4.1Å; A472-W485 HydrophobicContact CB-CH2 3.65Å; A472-W485 HydrophobicContact CB-CZ2 3.91Å; A472-W485 HydrophobicContact CB-CZ3 3.77Å
473P90.5Very high82.3Confident3 Ų349.7 Ų49.72%0.01927%0.266CS..SBendtrans-69.3-34.7178.629.1-37000111.7S477 D484 V486 K530 I531P473-S477 VanDerWaalsContact CD-OG 3.3Å; P473-S477 WeakPolarHBondContact CD-OG 3.24Å; P473-S477 WeakPolarHBondContact CG-OG 3.23Å; P473-D484 WeakPolarHBondContact CD-O 3.29Å; P473-D484 HydrophobicContact CG-CB 4.36Å; P473-D484 WeakPolarHBondContact CG-O 3.32Å; P473-V486 HydrophobicContact CB-CG2 4.36Å; P473-K530 HydrophobicContact CB-CG 4.13Å; P473-K530 CarbonylContact O-C 3.52Å; P473-K530 VanDerWaalsContact O-CA 3.24Å; P473-K530 WeakPolarHBondContact O-CA 3.34Å; P473-K530 WeakPolarHBondContact O-CG 3.18Å; P473-I531 PolarHBondContact O-N 3.47Å
474F90.6Very high82Confident20 Ų2052.1 Ų52.19%0.08828%0.281CS..SBendtrans-129.3156.6178.6-57.9-80.9000111.5A472 N476 S477 Y521 Q528 K530A472-F474 VanDerWaalsContact C-N 3.35Å; F474-N476 WeakPolarHBondContact CB-OD1 3.44Å; F474-N476 PolarHBondContact O-N 3.46Å; F474-N476 VanDerWaalsContact O-N 3.17Å; F474-S477 WeakPolarHBondContact CA-OG 3.34Å; F474-S477 WeakPolarHBondContact CB-OG 3.35Å; F474-S477 PolarHBondContact N-OG 3.32Å; F474-S477 WeakPolarHBondContact O-CB 3.1Å; F474-S477 PolarHBondContact O-N 3.31Å; F474-S477 VanDerWaalsContact O-N 3.08Å; F474-S477 PolarHBondContact O-OG 2.91Å; F474-Y521 AromaticContact CE1-CD1 3.71Å; F474-Y521 HydrophobicContact CE1-CD1 3.71Å; F474-Y521 HydrophobicContact CE1-CG 4.09Å; F474-Y521 AromaticContact CZ-CD1 3.47Å; F474-Y521 HydrophobicContact CZ-CD1 3.47Å; F474-Y521 VanDerWaalsContact CZ-CD1 3.47Å; F474-Y521 AromaticContact CZ-CE1 3.93Å; F474-Y521 HydrophobicContact CZ-CE1 3.93Å; F474-Y521 AromaticContact CZ-CG 3.87Å; F474-Y521 HydrophobicContact CZ-CG 3.87Å; F474-Q528 HydrophobicContact CD1-CB 4.48Å; F474-Q528 HydrophobicContact CE1-CB 4.17Å; F474-K530 HydrophobicContact CD1-CB 4.03Å; F474-K530 HydrophobicContact CD1-CG 4.08Å; F474-K530 HydrophobicContact CD2-CG 4.47Å; F474-K530 HydrophobicContact CE1-CB 3.52Å; F474-K530 HydrophobicContact CE1-CD 4.13Å; F474-K530 HydrophobicContact CE1-CG 3.61Å; F474-K530 HydrophobicContact CE2-CD 4.07Å; F474-K530 HydrophobicContact CE2-CG 4.02Å; F474-K530 HydrophobicContact CZ-CB 3.96Å; F474-K530 HydrophobicContact CZ-CD 3.62Å; F474-K530 HydrophobicContact CZ-CG 3.58Å
475G87.4Confident82.6Confident1 Ų151.9 Ų51.91%0.0128%0.275CS..THydrogen-bonded Turntrans-62.4-21.4-179.100000115.5S377 G378 G381 R406S377-G475 PolarHBondContact N-O 2.86Å; G378-G475 CarbonylContact O-C 3.54Å; G378-G475 VanDerWaalsContact O-C 3.27Å; G381-G475 WeakPolarHBondContact O-CA 3.39Å; G381-G475 PolarHBondContact O-N 2.86Å; R406-G475 PolarHBondContact NH1-O 3.36Å
476N86.3Confident83.9Confident41 Ų4143.1 Ų43.122%0.21924%0.235CC..THydrogen-bonded Turntrans-108.314.7176.465.1-29.6000114.1L376 G378 N379 G381 F474 Q478L376-N476 HydrophobicContact CD1-CB 4.04Å; G378-N476 VanDerWaalsContact O-CB 3.31Å; G378-N476 WeakPolarHBondContact O-CB 3.14Å; G378-N476 PolarHBondContact O-N 2.83Å; N379-N476 HydrophobicContact CB-CB 4.44Å; N379-N476 PolarHBondContact OD1-ND2 2.83Å; G381-N476 PolarHBondContact N-OD1 2.88Å; F474-N476 WeakPolarHBondContact CB-OD1 3.44Å; F474-N476 PolarHBondContact O-N 3.46Å; F474-N476 VanDerWaalsContact O-N 3.17Å; N476-Q478 PolarHBondContact O-N 2.77Å
477S87.3Confident85Confident23 Ų2343.2 Ų43.216%0.16123%0.227CC..  trans-64.4137.1-179.8-43.60000110.9P473 F474P473-S477 VanDerWaalsContact CD-OG 3.3Å; P473-S477 WeakPolarHBondContact CD-OG 3.24Å; P473-S477 WeakPolarHBondContact CG-OG 3.23Å; F474-S477 WeakPolarHBondContact CA-OG 3.34Å; F474-S477 WeakPolarHBondContact CB-OG 3.35Å; F474-S477 PolarHBondContact N-OG 3.32Å; F474-S477 WeakPolarHBondContact O-CB 3.1Å; F474-S477 PolarHBondContact O-N 3.31Å; F474-S477 VanDerWaalsContact O-N 3.08Å; F474-S477 PolarHBondContact O-OG 2.91Å
478Q82.3Confident85.4Confident111 Ų11142.6 Ų42.652%0.51922%0.224SC..  trans-79.4144.5176.9-62.9-63.6-19.400110.6N476 Q480 D481 W485N476-Q478 PolarHBondContact O-N 2.77Å; Q478-Q480 PolarHBondContact O-N 2.9Å; Q478-D481 PolarHBondContact O-N 2.97Å; Q478-W485 PolarHBondContact O-NE1 2.79Å
479A80.6Confident85.4Confident18 Ų1846.6 Ų46.615%0.14924%0.243CC..THydrogen-bonded Turntrans-67.8-2317900000112.7G399 I400 D481G399-A479 CarbonylContact C-O 3.42Å; G399-A479 WeakPolarHBondContact CA-O 3.39Å; I400-A479 PolarHBondContact N-O 2.79Å; I400-A479 WeakPolarHBondContact O-CB 2.83Å; A479-D481 VanDerWaalsContact C-N 3.3Å; A479-D481 PolarHBondContact O-N 3.35Å
480Q78.1Confident85.5Confident123 Ų12348.6 Ų48.658%0.57525%0.249SC*.THydrogen-bonded Turntrans-73.1-23.4-178.5-63.676.91500112.6Q478 V482Q478-Q480 PolarHBondContact O-N 2.9Å; Q480-V482 VanDerWaalsContact C-N 3.27Å; Q480-V482 PolarHBondContact O-N 2.8Å
481D76.4Confident85.1Confident87 Ų8749.7 Ų49.747%0.46526%0.257SS..  trans-88.753.2-173.8-60.6-32.7000112.1Q478 A479 L483 D484 W485Q478-D481 PolarHBondContact O-N 2.97Å; A479-D481 VanDerWaalsContact C-N 3.3Å; A479-D481 PolarHBondContact O-N 3.35Å; D481-L483 PolarHBondContact O-N 2.87Å; D481-D484 PolarHBondContact O-N 3.44Å; D481-W485 VanDerWaalsContact O-CD1 3.25Å
482V73.6Confident84.2Confident31 Ų3154.7 Ų54.719%0.18829%0.287CS..G310 helixtrans-50.1-37.9-170.6-175.40000113.9G399 I400 Q480 D484 W485G399-V482 VanDerWaalsContact N-CG2 3.26Å; I400-V482 HydrophobicContact CD1-CG1 3.95Å; I400-V482 HydrophobicContact CG1-CG1 4.37Å; I400-V482 HydrophobicContact CG1-CG2 4.3Å; Q480-V482 VanDerWaalsContact C-N 3.27Å; Q480-V482 PolarHBondContact O-N 2.8Å; V482-D484 PolarHBondContact O-N 2.84Å; V482-W485 WeakPolarHBondContact O-CB 3.42Å; V482-W485 PolarHBondContact O-N 2.92Å
483L73.8Confident83.2Confident160 Ų16058.7 Ų58.784%0.83831%0.306SS*.G310 helixtrans-64.3-21.4-177.2-64.4177000113.3D481D481-L483 PolarHBondContact O-N 2.87Å
484D78.3Confident81.9Confident83 Ų8361.2 Ų61.244%0.44432%0.323SS..G310 helixtrans-88.1-11.3178.3-73.1-9000112.5P473 D481 V482P473-D484 WeakPolarHBondContact CD-O 3.29Å; P473-D484 HydrophobicContact CG-CB 4.36Å; P473-D484 WeakPolarHBondContact CG-O 3.32Å; D481-D484 PolarHBondContact O-N 3.44Å; V482-D484 PolarHBondContact O-N 2.84Å
485W87.4Confident80.2Confident12 Ų1267.2 Ų67.25%0.04535%0.35CS..SBendtrans-75.9144-177.6-75.562.5000113.1I400 Q402 Y470 V471 A472 Q478 D481 V482 P487I400-W485 HydrophobicContact CB-CD2 4.16Å; I400-W485 HydrophobicContact CB-CE3 4.27Å; I400-W485 HydrophobicContact CB-CH2 4.34Å; I400-W485 HydrophobicContact CB-CZ2 4.2Å; I400-W485 HydrophobicContact CB-CZ3 4.36Å; I400-W485 HydrophobicContact CD1-CB 4.45Å; I400-W485 HydrophobicContact CD1-CD2 4.42Å; I400-W485 HydrophobicContact CD1-CG 4.4Å; I400-W485 HydrophobicContact CG1-CB 4.27Å; I400-W485 HydrophobicContact CG1-CD2 3.55Å; I400-W485 HydrophobicContact CG1-CE3 3.89Å; I400-W485 HydrophobicContact CG1-CG 3.71Å; I400-W485 HydrophobicContact CG1-CZ2 4.43Å; I400-W485 HydrophobicContact CG1-CZ3 4.48Å; I400-W485 HydrophobicContact CG2-CD2 4.25Å; I400-W485 HydrophobicContact CG2-CE3 3.84Å; I400-W485 HydrophobicContact CG2-CH2 3.88Å; I400-W485 HydrophobicContact CG2-CZ2 4.25Å; I400-W485 HydrophobicContact CG2-CZ3 3.65Å; Q402-W485 VanDerWaalsContact CD-CH2 3.46Å; Q402-W485 HydrophobicContact CG-CH2 4.15Å; Q402-W485 VanDerWaalsContact NE2-CH2 3.33Å; Y470-W485 HydrophobicContact CD1-CB 3.92Å; Y470-W485 HydrophobicContact CG-CB 4.37Å; V471-W485 VanDerWaalsContact C-CE3 3.45Å; A472-W485 HydrophobicContact CB-CD2 4.3Å; A472-W485 HydrophobicContact CB-CE3 4.1Å; A472-W485 HydrophobicContact CB-CH2 3.65Å; A472-W485 HydrophobicContact CB-CZ2 3.91Å; A472-W485 HydrophobicContact CB-CZ3 3.77Å; Q478-W485 PolarHBondContact O-NE1 2.79Å; D481-W485 VanDerWaalsContact O-CD1 3.25Å; V482-W485 WeakPolarHBondContact O-CB 3.42Å; V482-W485 PolarHBondContact O-N 2.92Å; W485-P487 WeakPolarHBondContact O-CD 3.19Å
486V90.5Very high78.4Confident14 Ų1472.5 Ų72.59%0.08538%0.378CS..EExtended strand (participates in β ladder)trans-91.5116.1-175.9-176.90000109.4Y470 V471 P473 I531 V534Y470-V486 CarbonylContact C-O 3.53Å; Y470-V486 VanDerWaalsContact CA-O 3.31Å; Y470-V486 WeakPolarHBondContact CA-O 3.43Å; V471-V486 PolarHBondContact N-O 2.85Å; V471-V486 PolarHBondContact O-N 2.95Å; P473-V486 HydrophobicContact CB-CG2 4.36Å; V486-I531 HydrophobicContact CG1-CG2 4.48Å; V486-I531 HydrophobicContact CG2-CG2 4.36Å; V486-I531 WeakPolarHBondContact CG2-O 3.38Å; V486-V534 HydrophobicContact CG1-CG2 4.45Å
487P90.4Very high76.2Confident54 Ų5482 Ų8235%0.35141%0.411SS..EExtended strand (participates in β ladder)trans-67.8144.117627.6-33.5000111Y470 W485 H489Y470-P487 HydrophobicContact CD1-CB 4.03Å; Y470-P487 HydrophobicContact CE1-CB 3.71Å; Y470-P487 HydrophobicContact CE1-CG 4.42Å; W485-P487 WeakPolarHBondContact O-CD 3.19Å; P487-H489 PolarHBondContact O-ND1 2.98Å
488I90Very high73.9Confident8 Ų890.6 Ų90.64%0.04145%0.445CS..EExtended strand (participates in β ladder)trans-86120.2172.2-54.8-175.7000109F410 F467 P468 D469 V471 F490 V534 A536F410-I488 HydrophobicContact CD2-CD1 4.45Å; F410-I488 HydrophobicContact CE2-CD1 3.7Å; F410-I488 HydrophobicContact CZ-CD1 4.14Å; F467-I488 HydrophobicContact CE1-CD1 3.93Å; F467-I488 HydrophobicContact CE1-CG2 4.22Å; P468-I488 HydrophobicContact CG-CD1 4.01Å; P468-I488 WeakPolarHBondContact O-CD1 3.36Å; D469-I488 PolarHBondContact O-N 3.37Å; V471-I488 HydrophobicContact CG2-CD1 3.67Å; V471-I488 HydrophobicContact CG2-CG1 3.83Å; I488-F490 HydrophobicContact CB-CE2 4.3Å; I488-F490 HydrophobicContact CB-CZ 4.13Å; I488-F490 HydrophobicContact CG2-CE1 4.11Å; I488-F490 HydrophobicContact CG2-CE2 4.47Å; I488-F490 HydrophobicContact CG2-CZ 4.07Å; I488-F490 VanDerWaalsContact O-CD2 3.29Å; I488-F490 WeakPolarHBondContact O-CD2 3.35Å; I488-F490 VanDerWaalsContact O-CE2 3.32Å; I488-F490 WeakPolarHBondContact O-CE2 3.31Å; I488-F490 PolarHBondContact O-N 2.64Å; I488-V534 HydrophobicContact CD1-CG1 4.49Å; I488-V534 HydrophobicContact CG1-CB 4.23Å; I488-V534 HydrophobicContact CG1-CG1 4.14Å; I488-V534 HydrophobicContact CG2-CG1 4.05Å; I488-A536 HydrophobicContact CG2-CB 3.82Å
489H89.9Confident71.8Confident87 Ų8794 Ų9440%0.40346%0.461SS..EExtended strand (participates in β ladder)trans-86.6114.6178.4-59.188.1000110.5P487 V534 T535 A536P487-H489 PolarHBondContact O-ND1 2.98Å; H489-V534 PolarHBondContact N-O 3.24Å; H489-V534 PolarHBondContact ND1-O 3.31Å; H489-T535 HydrophobicContact CB-CG2 4.29Å; H489-T535 CarbonylContact O-C 3.56Å; H489-T535 WeakPolarHBondContact O-CA 3.46Å; H489-A536 PolarHBondContact O-N 3.3Å
490F85.7Confident69.7Low102 Ų10297.7 Ų97.745%0.44749%0.485SS..EExtended strand (participates in β ladder)trans-88.9121.1-179.8-60.8-79.2000111.1W463 F467 I488 A536W463-F490 HydrophobicContact CE3-CE1 4.25Å; W463-F490 AromaticContact CH2-CD1 3.41Å; W463-F490 HydrophobicContact CH2-CD1 3.41Å; W463-F490 VanDerWaalsContact CH2-CD1 3.41Å; W463-F490 AromaticContact CH2-CE1 3.74Å; W463-F490 HydrophobicContact CH2-CE1 3.74Å; W463-F490 HydrophobicContact CZ2-CD1 4.17Å; W463-F490 AromaticContact CZ3-CD1 3.7Å; W463-F490 HydrophobicContact CZ3-CD1 3.7Å; W463-F490 AromaticContact CZ3-CE1 3.5Å; W463-F490 HydrophobicContact CZ3-CE1 3.5Å; W463-F490 VanDerWaalsContact CZ3-CE1 3.5Å; F467-F490 AromaticContact CD1-CE1 3.55Å; F467-F490 HydrophobicContact CD1-CE1 3.55Å; F467-F490 AromaticContact CD1-CZ 3.85Å; F467-F490 HydrophobicContact CD1-CZ 3.85Å; F467-F490 AromaticContact CE1-CE1 3.58Å; F467-F490 HydrophobicContact CE1-CE1 3.58Å; F467-F490 HydrophobicContact CE1-CZ 4.04Å; I488-F490 HydrophobicContact CB-CE2 4.3Å; I488-F490 HydrophobicContact CB-CZ 4.13Å; I488-F490 HydrophobicContact CG2-CE1 4.11Å; I488-F490 HydrophobicContact CG2-CE2 4.47Å; I488-F490 HydrophobicContact CG2-CZ 4.07Å; I488-F490 VanDerWaalsContact O-CD2 3.29Å; I488-F490 WeakPolarHBondContact O-CD2 3.35Å; I488-F490 VanDerWaalsContact O-CE2 3.32Å; I488-F490 WeakPolarHBondContact O-CE2 3.31Å; I488-F490 PolarHBondContact O-N 2.64Å; F490-A536 WeakPolarHBondContact CA-O 3.17Å; F490-A536 HydrophobicContact CD1-CB 4.12Å; F490-A536 HydrophobicContact CE1-CB 4.35Å
491I83.4Confident68Low65 Ų6598 Ų9833%0.33350%0.495SS..EExtended strand (participates in β ladder)trans-120.9137.4-179.7-55173.9000108.5Q493 A536 N537 L538I491-Q493 HydrophobicContact CG2-CG 4.18Å; I491-A536 PolarHBondContact N-O 3.35Å; I491-N537 HydrophobicContact CB-CB 4.4Å; I491-N537 CarbonylContact O-C 3.52Å; I491-N537 WeakPolarHBondContact O-CA 3.42Å; I491-N537 PolarHBondContact O-OD1 2.9Å; I491-L538 PolarHBondContact O-N 3.39Å
492T74.5Confident66.3Low104 Ų104101.3 Ų101.364%0.63851%0.512SS*.EExtended strand (participates in β ladder)trans-114.9117.6171.445.30000109.8L538T492-L538 HydrophobicContact CG2-CB 4.16Å; T492-L538 HydrophobicContact CG2-CD2 4.25Å
493Q69.7Low65Low86 Ų86108.4 Ų108.440%0.40254%0.543SS..EExtended strand (participates in β ladder)trans-109.4130.6177.5-75.2-179.8-9.200111.2I491 N537 L538 S540I491-Q493 HydrophobicContact CG2-CG 4.18Å; Q493-N537 WeakPolarHBondContact CG-OD1 3.28Å; Q493-N537 PolarHBondContact NE2-ND2 2.9Å; Q493-N537 PolarHBondContact OE1-ND2 2.83Å; Q493-L538 PolarHBondContact N-O 3.47Å; Q493-S540 PolarHBondContact O-N 2.83Å
494S64.1Low63.9Low56 Ų56108.1 Ų108.139%0.39254%0.542SS..EExtended strand (participates in β ladder)trans-118.5117.3178.9-51.80000110.2N496 Q507S494-N496 PolarHBondContact O-N 3.14Å; S494-N496 VanDerWaalsContact O-N 3.17Å; S494-Q507 VanDerWaalsContact CB-OE1 3.3Å; S494-Q507 PolarHBondContact OG-OE1 3.24Å
495F55.5Low63.1Low145 Ų145107.5 Ų107.564%0.63654%0.544SS*.  trans-82.392.7175.4-80.7-83.9000110.9I539 S540F495-I539 HydrophobicContact CD2-CG2 4.17Å; F495-I539 HydrophobicContact CE2-CG2 4.13Å; F495-S540 PolarHBondContact N-O 2.96Å
496N47.7Very low62.4Low113 Ų113108.4 Ų108.460%0.60455%0.553SS**  trans-89.5103.1164.8-75.2-25.8000108.7S494 K498S494-N496 PolarHBondContact O-N 3.14Å; S494-N496 VanDerWaalsContact O-N 3.17Å; N496-K498 PolarHBondContact O-N 2.74Å; N496-K498 VanDerWaalsContact O-N 3.16Å
497R41.8Very low62Low240 Ų240111 Ų11191%0.90656%0.564SS**  trans-61.9118.4167.3-154.3-173.2-67.9-171.5-0.2106.2H499R497-H499 PolarHBondContact O-N 3.19Å
498K39.1Very low61.6Low204 Ų204108.7 Ų108.789%0.88755%0.548SS*.SBendtrans-45.197.9179.6-75.4179.8176.7178.30110.7N496N496-K498 PolarHBondContact O-N 2.74Å; N496-K498 VanDerWaalsContact O-N 3.16Å
499H36.9Very low61.4Low183 Ų183108.7 Ų108.785%0.84755%0.549SS*.  trans-156.4132.9156.2-121.6-91.6000108.4R497R497-H499 PolarHBondContact O-N 3.19Å
500S36.5Very low61.2Low94 Ų94105.4 Ų105.466%0.65754%0.538SS*.  trans-52.6142.7-172.253.90000115.2
501V42.9Very low61.5Low131 Ų131101.3 Ų101.379%0.79452%0.523SS*.  trans53.294.2145.2-172.20000116.4
502L40.2Very low61.9Low155 Ų15598.2 Ų98.281%0.81251%0.508SS*.  trans-149.7115.3136.2-105.7131.6000108
503Q47.5Very low62.9Low180 Ų18095.6 Ų95.684%0.84149%0.491SS*.THydrogen-bonded Turntrans-53.9137.1161.6-85.6161.7-55.400108.2
504D49.2Very low64.1Low154 Ų15491.5 Ų91.582%0.82447%0.472SS*.THydrogen-bonded Turntrans80.340.6176.5-57.9-22.7000119.3
505S62.1Low65.6Low70 Ų7091.8 Ų91.849%0.4947%0.467SS..  trans-86.7107.6159.561.20000111.3Q507S505-Q507 PolarHBondContact O-N 2.99Å
506C73.6Confident67.6Low32 Ų3284.9 Ų84.922%0.21644%0.437CS..  trans-66133.9176.7179.30000111.6C451 F543C451-C506 HydrophobicContact CB-CB 3.42Å; C451-C506 VanDerWaalsContact CB-CB 3.42Å; C451-C506 WeakPolarHBondContact CB-SG 3.38Å; C451-C506 WeakPolarHBondContact SG-CB 3.38Å; C451-C506 CovalentContact SG-SG 2Å; C451-C506 PolarHBondContact SG-SG 2.8Å; C506-F543 PolarHBondContact O-N 2.93Å
507Q81.5Confident69.8Low69 Ų6983 Ų8332%0.32242%0.423SS..EExtended strand (participates in β ladder)trans-98.5125.4177.3-67.6-178.2-200110.6S494 S505S494-Q507 VanDerWaalsContact CB-OE1 3.3Å; S494-Q507 PolarHBondContact OG-OE1 3.24Å; S505-Q507 PolarHBondContact O-N 2.99Å
508L82.8Confident72.2Confident5 Ų573.6 Ų73.63%0.02639%0.388CS..EExtended strand (participates in β ladder)trans-105122.7177.5-171.478.6000110.2V454 A455 V458 G510 S540 S541 F543 I554V454-L508 HydrophobicContact CB-CD1 4.19Å; V454-L508 HydrophobicContact CG1-CD1 3.7Å; A455-L508 HydrophobicContact CB-CD1 4.03Å; V458-L508 HydrophobicContact CB-CD1 4.42Å; V458-L508 HydrophobicContact CG2-CD1 4.09Å; L508-G510 PolarHBondContact O-N 2.88Å; L508-S540 WeakPolarHBondContact O-CA 3.03Å; L508-S541 PolarHBondContact N-O 2.83Å; L508-S541 PolarHBondContact O-N 2.85Å; L508-F543 HydrophobicContact CB-CB 3.74Å; L508-F543 HydrophobicContact CB-CD2 4.1Å; L508-F543 HydrophobicContact CB-CG 4.12Å; L508-F543 HydrophobicContact CD2-CD2 3.62Å; L508-F543 HydrophobicContact CD2-CE2 3.92Å; L508-F543 HydrophobicContact CD2-CG 4.36Å; L508-F543 HydrophobicContact CG-CD2 4.4Å; L508-I554 HydrophobicContact CD2-CD1 3.68Å; L508-I554 HydrophobicContact CD2-CG1 4.11Å; L508-I554 HydrophobicContact CD2-CG2 3.78Å
509P84.5Confident74.5Confident8 Ų864.2 Ų64.25%0.05235%0.348CS..EExtended strand (participates in β ladder)trans-74.2103.617729.1-31.9000109.8V458 K459 L462 L538 I539V458-P509 HydrophobicContact CG1-CG 4.44Å; V458-P509 WeakPolarHBondContact CG1-O 3.39Å; K459-P509 HydrophobicContact CB-CG 4.29Å; L462-P509 HydrophobicContact CD1-CB 4.23Å; L462-P509 WeakPolarHBondContact CD1-O 3.24Å; P509-L538 HydrophobicContact CB-CD1 3.86Å; P509-L538 HydrophobicContact CB-CD2 3.69Å; P509-L538 HydrophobicContact CB-CG 3.67Å; P509-L538 HydrophobicContact CG-CD2 4.42Å; P509-I539 CarbonylContact C-O 3.46Å; P509-I539 WeakPolarHBondContact CA-O 3.12Å
510G86.3Confident76.8Confident17 Ų1759 Ų5918%0.17532%0.323CS..EExtended strand (participates in β ladder)trans-92-20.8-175.900000114L508 I539 I556 S557L508-G510 PolarHBondContact O-N 2.88Å; G510-I539 PolarHBondContact N-O 3.16Å; G510-I556 WeakPolarHBondContact O-CA 3Å; G510-S557 PolarHBondContact O-N 3.34Å; G510-S557 VanDerWaalsContact O-N 3.08Å
511A91.4Very high78.9Confident16 Ų1655.2 Ų55.213%0.13229%0.294CS..EExtended strand (participates in β ladder)trans-144.7148.7-177.300000113.5I539 S557A511-I539 HydrophobicContact CB-CB 4.31Å; A511-I539 PolarHBondContact N-O 3.42Å; A511-I539 PolarHBondContact O-N 3.21Å; A511-S557 CarbonylContact C-O 3.55Å; A511-S557 WeakPolarHBondContact CA-O 3.32Å
512L92.7Very high80.3Confident1 Ų149.1 Ų49.11%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-118.4116.8169.5174.864.3000109.1L462 W463 F467 I514 A536 N537 L538 S557 T558 A559L462-L512 HydrophobicContact CB-CB 4.27Å; L462-L512 HydrophobicContact CD2-CB 4Å; W463-L512 HydrophobicContact CD2-CD2 4.28Å; W463-L512 HydrophobicContact CE3-CD1 4.34Å; W463-L512 HydrophobicContact CE3-CD2 3.87Å; W463-L512 HydrophobicContact CH2-CD1 3.34Å; W463-L512 HydrophobicContact CH2-CD2 4.37Å; W463-L512 HydrophobicContact CZ2-CD1 3.72Å; W463-L512 HydrophobicContact CZ3-CD1 3.69Å; W463-L512 HydrophobicContact CZ3-CD2 3.91Å; W463-L512 HydrophobicContact CZ3-CG 4.46Å; F467-L512 HydrophobicContact CE2-CD2 4.32Å; L512-I514 HydrophobicContact CD1-CG1 4.48Å; L512-I514 HydrophobicContact CD2-CD1 4.22Å; L512-I514 HydrophobicContact CD2-CG1 4.42Å; L512-I514 HydrophobicContact CG-CD1 4.42Å; L512-I514 HydrophobicContact CG-CG1 4.1Å; L512-A536 HydrophobicContact CD1-CB 4.3Å; L512-N537 WeakPolarHBondContact CA-O 3.37Å; L512-L538 HydrophobicContact CB-CD1 4.41Å; L512-L538 HydrophobicContact CD1-CD1 4.41Å; L512-S557 PolarHBondContact N-O 2.87Å; L512-T558 HydrophobicContact CB-CG2 4.15Å; L512-T558 CarbonylContact O-C 3.53Å; L512-T558 WeakPolarHBondContact O-CA 3.42Å; L512-A559 PolarHBondContact O-N 3.29Å
513V94.9Very high81.5Confident48 Ų4842.3 Ų42.329%0.29122%0.223SC..EExtended strand (participates in β ladder)trans-109.8117.8178.8-178.30000108.5N537 I539V513-N537 PolarHBondContact N-O 2.9Å; V513-N537 PolarHBondContact O-N 3.44Å; V513-I539 HydrophobicContact CG2-CD1 3.59Å; V513-I539 HydrophobicContact CG2-CG1 4.41Å
514I95.3Very high82.5Confident1 Ų137.6 Ų37.61%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-107.1126.4-180-56.6173.7000108F410 I412 F467 L512 V516 V534 T535 A536 A559 V560 T561F410-I514 HydrophobicContact CE1-CG2 4.3Å; F410-I514 HydrophobicContact CZ-CD1 4.14Å; F410-I514 HydrophobicContact CZ-CG2 3.9Å; I412-I514 HydrophobicContact CG2-CD1 3.88Å; F467-I514 HydrophobicContact CE2-CD1 4.01Å; F467-I514 HydrophobicContact CZ-CD1 3.89Å; L512-I514 HydrophobicContact CD1-CG1 4.48Å; L512-I514 HydrophobicContact CD2-CD1 4.22Å; L512-I514 HydrophobicContact CD2-CG1 4.42Å; L512-I514 HydrophobicContact CG-CD1 4.42Å; L512-I514 HydrophobicContact CG-CG1 4.1Å; I514-V516 HydrophobicContact CG2-CG2 4.16Å; I514-V534 HydrophobicContact CG2-CG1 4.12Å; I514-T535 CarbonylContact C-O 3.54Å; I514-T535 VanDerWaalsContact CA-O 3.27Å; I514-T535 WeakPolarHBondContact CA-O 3.48Å; I514-A536 HydrophobicContact CG1-CB 4.35Å; I514-A559 PolarHBondContact N-O 3.11Å; I514-V560 HydrophobicContact CB-CG1 4.41Å; I514-V560 HydrophobicContact CB-CG2 4.19Å; I514-V560 HydrophobicContact CD1-CG2 4.3Å; I514-V560 HydrophobicContact CG2-CG1 4.39Å; I514-V560 CarbonylContact O-C 3.57Å; I514-V560 VanDerWaalsContact O-CA 3.25Å; I514-V560 WeakPolarHBondContact O-CA 3.5Å; I514-T561 PolarHBondContact O-N 3.47Å; I514-T561 PolarHBondContact O-OG1 3.3Å
515E96Very high83.2Confident62 Ų6233.5 Ų33.529%0.2918%0.181SC..EExtended strand (participates in β ladder)trans-114123.8173.1-177-179.586.500109.1K517 V534 T535 V563E515-K517 HydrophobicContact CG-CG 4.45Å; E515-K517 WeakPolarHBondContact OE1-CE 3.27Å; E515-K517 IonicContact OE1-NZ 2.79Å; E515-V534 WeakPolarHBondContact O-CA 3.46Å; E515-T535 PolarHBondContact N-O 2.79Å; E515-T535 PolarHBondContact O-N 2.68Å; E515-V563 HydrophobicContact CG-CG2 4Å
516V96Very high83.4Confident0 Ų031.4 Ų31.40%016%0.164CC..EExtended strand (participates in β ladder)trans-110.5109.3178.3-176.90000108.7L388 I514 I531 V534 V560 T561 F562 V563L388-V516 HydrophobicContact CD1-CG1 4.27Å; L388-V516 HydrophobicContact CD1-CG2 4.1Å; I514-V516 HydrophobicContact CG2-CG2 4.16Å; V516-I531 HydrophobicContact CG1-CD1 4.12Å; V516-I531 HydrophobicContact CG1-CG1 4.25Å; V516-I531 HydrophobicContact CG1-CG2 4.12Å; V516-V534 HydrophobicContact CG1-CG2 4.28Å; V516-V534 HydrophobicContact CG2-CG1 4.25Å; V516-V560 HydrophobicContact CG2-CG1 4.24Å; V516-T561 PolarHBondContact N-O 3.19Å; V516-F562 HydrophobicContact CB-CD1 3.77Å; V516-F562 HydrophobicContact CB-CE1 3.77Å; V516-F562 HydrophobicContact CB-CG 4.41Å; V516-F562 HydrophobicContact CB-CZ 4.4Å; V516-F562 HydrophobicContact CG1-CD1 3.79Å; V516-F562 HydrophobicContact CG1-CE1 3.6Å; V516-F562 HydrophobicContact CG2-CE1 4.18Å; V516-F562 HydrophobicContact CG2-CZ 4.37Å; V516-F562 WeakPolarHBondContact O-CA 3.25Å; V516-V563 PolarHBondContact O-N 3.39Å
517K93.8Very high83.6Confident72 Ų7232.7 Ų32.731%0.31317%0.172SC..EExtended strand (participates in β ladder)trans-91.3131.7173.9-58.7-173.2-179.2-178.30110E515 V532 N533 V563 V565E515-K517 HydrophobicContact CG-CG 4.45Å; E515-K517 WeakPolarHBondContact OE1-CE 3.27Å; E515-K517 IonicContact OE1-NZ 2.79Å; K517-V532 HydrophobicContact CB-CG2 4Å; K517-V532 WeakPolarHBondContact O-CG2 3.16Å; K517-V532 PolarHBondContact O-N 3.13Å; K517-N533 HydrophobicContact CB-CB 4.12Å; K517-N533 HydrophobicContact CD-CB 4.37Å; K517-N533 HydrophobicContact CG-CB 4.49Å; K517-N533 PolarHBondContact N-O 2.92Å; K517-N533 PolarHBondContact O-N 2.9Å; K517-V563 WeakPolarHBondContact CA-O 3.3Å; K517-V563 HydrophobicContact CG-CB 4.35Å; K517-V565 HydrophobicContact CB-CG1 4.22Å; K517-V565 HydrophobicContact CB-CG2 4.28Å; K517-V565 HydrophobicContact CD-CG1 4.16Å; K517-V565 HydrophobicContact CG-CG1 4.36Å
518W92.9Very high83.7Confident43 Ų4330.2 Ų30.216%0.16316%0.16CC..EExtended strand (participates in β ladder)trans-138158.8-179.370-82.4000111F433 K520 A529 K530 V563 D564 V565F433-W518 HydrophobicContact CE2-CB 4.2Å; F433-W518 HydrophobicContact CE2-CD2 4.13Å; F433-W518 AromaticContact CE2-CG 3.91Å; F433-W518 HydrophobicContact CE2-CG 3.91Å; F433-W518 AromaticContact CZ-CD2 3.81Å; F433-W518 HydrophobicContact CZ-CD2 3.81Å; F433-W518 AromaticContact CZ-CE3 3.99Å; F433-W518 HydrophobicContact CZ-CE3 3.99Å; F433-W518 HydrophobicContact CZ-CG 4.1Å; F433-W518 HydrophobicContact CZ-CZ3 4.49Å; W518-K520 HydrophobicContact CZ3-CG 3.97Å; W518-A529 HydrophobicContact CE3-CB 4.05Å; W518-A529 HydrophobicContact CZ3-CB 4.23Å; W518-K530 CarbonylContact C-O 3.58Å; W518-K530 WeakPolarHBondContact CA-O 3.33Å; W518-K530 WeakPolarHBondContact CB-O 3.49Å; W518-V563 VanDerWaalsContact CD1-O 3.29Å; W518-V563 PolarHBondContact N-O 3.3Å; W518-D564 HydrophobicContact CH2-CB 4.35Å; W518-D564 HydrophobicContact CZ2-CB 3.75Å; W518-D564 WeakPolarHBondContact O-CA 3.46Å; W518-V565 WeakPolarHBondContact O-CG2 3.41Å; W518-V565 PolarHBondContact O-N 2.97Å
519T88.3Confident84Confident8 Ų830.5 Ų30.55%0.04916%0.164CC..EExtended strand (participates in β ladder)trans-139.2157.3-178.2-167.80000110.6K530 V532 S566T519-K530 HydrophobicContact CG2-CB 4.26Å; T519-K530 PolarHBondContact N-O 3.45Å; T519-K530 PolarHBondContact O-N 2.02Å; T519-V532 HydrophobicContact CG2-CG1 3.49Å; T519-V532 VanDerWaalsContact CG2-CG1 3.49Å; T519-S566 WeakPolarHBondContact OG1-CA 3.38Å
520K84.4Confident84.3Confident74 Ų7431.9 Ų31.932%0.32217%0.169SC..EExtended strand (participates in β ladder)trans-80.6125.5170-66.1173-172.7170.20109.3F164 W518 P527 S566F164-K520 WeakPolarHBondContact CB-O 3.34Å; F164-K520 HydrophobicContact CD1-CB 3.66Å; F164-K520 HydrophobicContact CD1-CD 4.5Å; F164-K520 HydrophobicContact CD2-CB 3.93Å; F164-K520 HydrophobicContact CE1-CB 3.64Å; F164-K520 HydrophobicContact CE1-CD 3.65Å; F164-K520 HydrophobicContact CE1-CG 4.28Å; F164-K520 HydrophobicContact CE2-CB 3.92Å; F164-K520 HydrophobicContact CE2-CD 4.41Å; F164-K520 HydrophobicContact CG-CB 3.81Å; F164-K520 WeakPolarHBondContact CG-O 3.21Å; F164-K520 HydrophobicContact CZ-CB 3.77Å; F164-K520 HydrophobicContact CZ-CD 3.6Å; F164-K520 HydrophobicContact CZ-CG 4.28Å; W518-K520 HydrophobicContact CZ3-CG 3.97Å; K520-P527 HydrophobicContact CB-CB 4.1Å; K520-P527 HydrophobicContact CD-CB 4.07Å; K520-P527 HydrophobicContact CG-CB 4.06Å; K520-S566 PolarHBondContact N-OG 2.81Å
521Y80.1Confident84.6Confident14 Ų1431.1 Ų31.16%0.05516%0.161CC..EExtended strand (participates in β ladder)trans-116.6146.2179.7175.2-100000111R67 P68 P70 N166 F474 Q528R67-Y521 WeakPolarHBondContact CD-OH 3.49Å; R67-Y521 PolarHBondContact NE-OH 3.4Å; P68-Y521 PolarHBondContact O-OH 2.95Å; P70-Y521 HydrophobicContact CG-CE1 4.43Å; N166-Y521 WeakPolarHBondContact OD1-CD2 3.31Å; N166-Y521 WeakPolarHBondContact OD1-CE2 3.47Å; F474-Y521 AromaticContact CE1-CD1 3.71Å; F474-Y521 HydrophobicContact CE1-CD1 3.71Å; F474-Y521 HydrophobicContact CE1-CG 4.09Å; F474-Y521 AromaticContact CZ-CD1 3.47Å; F474-Y521 HydrophobicContact CZ-CD1 3.47Å; F474-Y521 VanDerWaalsContact CZ-CD1 3.47Å; F474-Y521 AromaticContact CZ-CE1 3.93Å; F474-Y521 HydrophobicContact CZ-CE1 3.93Å; F474-Y521 AromaticContact CZ-CG 3.87Å; F474-Y521 HydrophobicContact CZ-CG 3.87Å; Y521-Q528 PolarHBondContact N-O 2.83Å; Y521-Q528 WeakPolarHBondContact O-CB 3.47Å; Y521-Q528 PolarHBondContact O-N 3.29Å
522G72.1Confident84.6Confident3 Ų332.5 Ų32.53%0.03117%0.168CC..SBendtrans92.7-150.9173.300000113.2S163 F164S163-G522 CarbonylContact C-O 3.55Å; S163-G522 VanDerWaalsContact CA-O 3.29Å; S163-G522 WeakPolarHBondContact CA-O 3.48Å; S163-G522 WeakPolarHBondContact CB-O 3.41Å; F164-G522 WeakPolarHBondContact CD2-O 3.27Å; F164-G522 PolarHBondContact N-O 3.38Å
523S66.4Low84.5Confident12 Ų1234.5 Ų34.58%0.08418%0.178CC..BIsolated β-bridgetrans-69146.9-176.2-178.80000111.8L162 L525 N526L162-S523 CarbonylContact O-C 3.56Å; L162-S523 WeakPolarHBondContact O-CA 3.44Å; L162-S523 PolarHBondContact O-OG 3.26Å; S523-L525 PolarHBondContact O-N 3.08Å; S523-L525 VanDerWaalsContact O-N 3.17Å; S523-L525 WeakPolarHBondContact OG-CB 3.49Å; S523-L525 VanDerWaalsContact OG-CG 3.29Å; S523-L525 WeakPolarHBondContact OG-CG 3.16Å; S523-L525 PolarHBondContact OG-N 3.46Å; S523-N526 CarbonylContact O-C 3.57Å; S523-N526 PolarHBondContact O-N 2.93Å; S523-N526 VanDerWaalsContact O-N 3.08Å
524L67.6Low84.4Confident81 Ų8132.2 Ų32.242%0.42417%0.165SC..THydrogen-bonded Turntrans-57.6-26.7169.1-165.769.3000111.4L162 F164 N526L162-L524 PolarHBondContact O-N 3.17Å; F164-L524 HydrophobicContact CE1-CD1 4.11Å; F164-L524 HydrophobicContact CE2-CD1 3.92Å; F164-L524 HydrophobicContact CZ-CD1 3.59Å; L524-N526 VanDerWaalsContact C-N 3.34Å
525L64.1Low84.3Confident68 Ų6833.5 Ų33.536%0.35617%0.173SC..THydrogen-bonded Turntrans-74.6-27.3-180-48.3-173.5000113D116 S523D116-L525 HydrophobicContact CB-CD1 4.12Å; D116-L525 HydrophobicContact CB-CD2 3.17Å; D116-L525 HydrophobicContact CB-CG 4.25Å; D116-L525 WeakPolarHBondContact OD2-CD2 3.4Å; S523-L525 PolarHBondContact O-N 3.08Å; S523-L525 VanDerWaalsContact O-N 3.17Å; S523-L525 WeakPolarHBondContact OG-CB 3.49Å; S523-L525 VanDerWaalsContact OG-CG 3.29Å; S523-L525 WeakPolarHBondContact OG-CG 3.16Å; S523-L525 PolarHBondContact OG-N 3.46Å
526N67.6Low84.1Confident25 Ų2530.6 Ų30.613%0.13416%0.159CC..SBendtrans-143.969.7-177.1-17334.5000109.3L77 S523 L524 Q528L77-N526 HydrophobicContact CD1-CB 3.95Å; L77-N526 WeakPolarHBondContact CD2-ND2 3.12Å; S523-N526 CarbonylContact O-C 3.57Å; S523-N526 PolarHBondContact O-N 2.93Å; S523-N526 VanDerWaalsContact O-N 3.08Å; L524-N526 VanDerWaalsContact C-N 3.34Å; N526-Q528 PolarHBondContact ND2-NE2 3.01Å; N526-Q528 PolarHBondContact O-N 3.14Å; N526-Q528 PolarHBondContact O-NE2 3.42Å; N526-Q528 PolarHBondContact OD1-NE2 3.42Å
527P76.9Confident83.9Confident59 Ų5931.6 Ų31.638%0.38316%0.164SC..PPolyproline II helixtrans-60.7117.4177.720.3-29.4000110.4F164 K520F164-P527 HydrophobicContact CD2-CB 4.37Å; F164-P527 HydrophobicContact CE2-CB 3.52Å; F164-P527 HydrophobicContact CE2-CG 4.4Å; F164-P527 HydrophobicContact CZ-CB 3.95Å; K520-P527 HydrophobicContact CB-CB 4.1Å; K520-P527 HydrophobicContact CD-CB 4.07Å; K520-P527 HydrophobicContact CG-CB 4.06Å
528Q83.4Confident83.7Confident17 Ų1728.5 Ų28.58%0.07915%0.151CC..EExtended strand (participates in β ladder)trans-93.6123.1175.3-55.3-52.3-73.500109.4P380 F474 Y521 N526 K530P380-Q528 HydrophobicContact CB-CG 4.15Å; P380-Q528 HydrophobicContact CG-CG 4.22Å; P380-Q528 PolarHBondContact O-OE1 2.88Å; F474-Q528 HydrophobicContact CD1-CB 4.48Å; F474-Q528 HydrophobicContact CE1-CB 4.17Å; Y521-Q528 PolarHBondContact N-O 2.83Å; Y521-Q528 WeakPolarHBondContact O-CB 3.47Å; Y521-Q528 PolarHBondContact O-N 3.29Å; N526-Q528 PolarHBondContact ND2-NE2 3.01Å; N526-Q528 PolarHBondContact O-N 3.14Å; N526-Q528 PolarHBondContact O-NE2 3.42Å; N526-Q528 PolarHBondContact OD1-NE2 3.42Å; Q528-K530 PolarHBondContact O-N 2.93Å
529A89.9Confident83.5Confident12 Ų1228.8 Ų28.810%0.09916%0.155CC..EExtended strand (participates in β ladder)trans-67.911817300000110G381 Y382 F433 W518G381-A529 WeakPolarHBondContact CA-O 3.46Å; Y382-A529 PolarHBondContact N-O 2.67Å; F433-A529 HydrophobicContact CE1-CB 3.68Å; F433-A529 HydrophobicContact CE2-CB 4.37Å; F433-A529 HydrophobicContact CZ-CB 3.47Å; F433-A529 VanDerWaalsContact CZ-CB 3.47Å; W518-A529 HydrophobicContact CE3-CB 4.05Å; W518-A529 HydrophobicContact CZ3-CB 4.23Å
530K90.6Very high83.3Confident37 Ų3729 Ų2916%0.16116%0.157CC..EExtended strand (participates in β ladder)trans-117.3127.2177.5-169.2-167.7179-169.80110.6R67 P473 F474 W518 T519 Q528 V532R67-K530 VanDerWaalsContact NH2-CD 3.3Å; P473-K530 HydrophobicContact CB-CG 4.13Å; P473-K530 CarbonylContact O-C 3.52Å; P473-K530 VanDerWaalsContact O-CA 3.24Å; P473-K530 WeakPolarHBondContact O-CA 3.34Å; P473-K530 WeakPolarHBondContact O-CG 3.18Å; F474-K530 HydrophobicContact CD1-CB 4.03Å; F474-K530 HydrophobicContact CD1-CG 4.08Å; F474-K530 HydrophobicContact CD2-CG 4.47Å; F474-K530 HydrophobicContact CE1-CB 3.52Å; F474-K530 HydrophobicContact CE1-CD 4.13Å; F474-K530 HydrophobicContact CE1-CG 3.61Å; F474-K530 HydrophobicContact CE2-CD 4.07Å; F474-K530 HydrophobicContact CE2-CG 4.02Å; F474-K530 HydrophobicContact CZ-CB 3.96Å; F474-K530 HydrophobicContact CZ-CD 3.62Å; F474-K530 HydrophobicContact CZ-CG 3.58Å; W518-K530 CarbonylContact C-O 3.58Å; W518-K530 WeakPolarHBondContact CA-O 3.33Å; W518-K530 WeakPolarHBondContact CB-O 3.49Å; T519-K530 HydrophobicContact CG2-CB 4.26Å; T519-K530 PolarHBondContact N-O 3.45Å; T519-K530 PolarHBondContact O-N 2.02Å; Q528-K530 PolarHBondContact O-N 2.93Å; K530-V532 HydrophobicContact CD-CG1 4.47Å
531I92.6Very high83.1Confident0 Ų028.5 Ų28.50%016%0.163CC..EExtended strand (participates in β ladder)trans-74.8134.8169.2-61.9178.2000109Y382 L388 V471 P473 V486 V516 V534Y382-I531 HydrophobicContact CD2-CD1 3.94Å; Y382-I531 HydrophobicContact CD2-CG1 4Å; Y382-I531 HydrophobicContact CE2-CD1 3.4Å; Y382-I531 HydrophobicContact CE2-CG1 3.77Å; L388-I531 HydrophobicContact CD1-CD1 4.14Å; L388-I531 HydrophobicContact CD2-CD1 3.5Å; L388-I531 HydrophobicContact CG-CD1 4.42Å; V471-I531 HydrophobicContact CG1-CD1 3.6Å; V471-I531 HydrophobicContact CG1-CG2 4.33Å; P473-I531 PolarHBondContact O-N 3.47Å; V486-I531 HydrophobicContact CG1-CG2 4.48Å; V486-I531 HydrophobicContact CG2-CG2 4.36Å; V486-I531 WeakPolarHBondContact CG2-O 3.38Å; V516-I531 HydrophobicContact CG1-CD1 4.12Å; V516-I531 HydrophobicContact CG1-CG1 4.25Å; V516-I531 HydrophobicContact CG1-CG2 4.12Å; I531-V534 HydrophobicContact CG2-CG2 3.73Å
532V90.1Very high83Confident46 Ų4631.3 Ų31.328%0.27918%0.184SC..EExtended strand (participates in β ladder)trans-120.8-27.9-177.1-66.10000113.2K517 T519 K530 V565K517-V532 HydrophobicContact CB-CG2 4Å; K517-V532 WeakPolarHBondContact O-CG2 3.16Å; K517-V532 PolarHBondContact O-N 3.13Å; T519-V532 HydrophobicContact CG2-CG1 3.49Å; T519-V532 VanDerWaalsContact CG2-CG1 3.49Å; K530-V532 HydrophobicContact CD-CG1 4.47Å; V532-V565 HydrophobicContact CG2-CG2 3.62Å
533N91.5Very high82.9Confident43 Ų4332 Ų3223%0.2319%0.187CC..EExtended strand (participates in β ladder)trans-154.1140.8177.4-164.3-54.8000110K517 T535K517-N533 HydrophobicContact CB-CB 4.12Å; K517-N533 HydrophobicContact CD-CB 4.37Å; K517-N533 HydrophobicContact CG-CB 4.49Å; K517-N533 PolarHBondContact N-O 2.92Å; K517-N533 PolarHBondContact O-N 2.9Å; N533-T535 WeakPolarHBondContact OD1-CG2 3.23Å
534V93.3Very high82.7Confident0 Ų035 Ų350%021%0.206CC..EExtended strand (participates in β ladder)trans-129.1129.1170.6-174.10000108.4F410 V471 V486 I488 H489 I514 E515 V516 I531F410-V534 HydrophobicContact CZ-CG1 4.3Å; V471-V534 HydrophobicContact CB-CG2 4.1Å; V471-V534 HydrophobicContact CG1-CG2 4.45Å; V471-V534 HydrophobicContact CG2-CG2 3.99Å; V486-V534 HydrophobicContact CG1-CG2 4.45Å; I488-V534 HydrophobicContact CD1-CG1 4.49Å; I488-V534 HydrophobicContact CG1-CB 4.23Å; I488-V534 HydrophobicContact CG1-CG1 4.14Å; I488-V534 HydrophobicContact CG2-CG1 4.05Å; H489-V534 PolarHBondContact N-O 3.24Å; H489-V534 PolarHBondContact ND1-O 3.31Å; I514-V534 HydrophobicContact CG2-CG1 4.12Å; E515-V534 WeakPolarHBondContact O-CA 3.46Å; V516-V534 HydrophobicContact CG1-CG2 4.28Å; V516-V534 HydrophobicContact CG2-CG1 4.25Å; I531-V534 HydrophobicContact CG2-CG2 3.73Å
535T93.1Very high82.2Confident28 Ų2838.4 Ų38.417%0.17222%0.22CC..EExtended strand (participates in β ladder)trans-120138.9172.667.50000109.7H489 I514 E515 N533H489-T535 HydrophobicContact CB-CG2 4.29Å; H489-T535 CarbonylContact O-C 3.56Å; H489-T535 WeakPolarHBondContact O-CA 3.46Å; I514-T535 CarbonylContact C-O 3.54Å; I514-T535 VanDerWaalsContact CA-O 3.27Å; I514-T535 WeakPolarHBondContact CA-O 3.48Å; E515-T535 PolarHBondContact N-O 2.79Å; E515-T535 PolarHBondContact O-N 2.68Å; N533-T535 WeakPolarHBondContact OD1-CG2 3.23Å
536A92.3Very high81.7Confident0 Ų037.9 Ų37.90%023%0.225CC..EExtended strand (participates in β ladder)trans-125103.5178.300000108.7W463 F467 I488 H489 F490 I491 L512 I514W463-A536 HydrophobicContact CH2-CB 3.71Å; W463-A536 HydrophobicContact CZ3-CB 3.84Å; F467-A536 HydrophobicContact CE1-CB 4.37Å; F467-A536 HydrophobicContact CZ-CB 4.35Å; I488-A536 HydrophobicContact CG2-CB 3.82Å; H489-A536 PolarHBondContact O-N 3.3Å; F490-A536 WeakPolarHBondContact CA-O 3.17Å; F490-A536 HydrophobicContact CD1-CB 4.12Å; F490-A536 HydrophobicContact CE1-CB 4.35Å; I491-A536 PolarHBondContact N-O 3.35Å; L512-A536 HydrophobicContact CD1-CB 4.3Å; I514-A536 HydrophobicContact CG1-CB 4.35Å
537N91.2Very high80.7Confident22 Ų2242 Ų4212%0.11826%0.256CS..EExtended strand (participates in β ladder)trans-103.4116.8-172.8-175.618.7000111.4I491 Q493 L512 V513I491-N537 HydrophobicContact CB-CB 4.4Å; I491-N537 CarbonylContact O-C 3.52Å; I491-N537 WeakPolarHBondContact O-CA 3.42Å; I491-N537 PolarHBondContact O-OD1 2.9Å; Q493-N537 WeakPolarHBondContact CG-OD1 3.28Å; Q493-N537 PolarHBondContact NE2-ND2 2.9Å; Q493-N537 PolarHBondContact OE1-ND2 2.83Å; L512-N537 WeakPolarHBondContact CA-O 3.37Å; V513-N537 PolarHBondContact N-O 2.9Å; V513-N537 PolarHBondContact O-N 3.44Å
538L89.3Confident79.4Confident7 Ų744.1 Ų44.14%0.03727%0.272CS..EExtended strand (participates in β ladder)trans-92.3110.8177.4-167.572000109.8L462 W463 I491 T492 Q493 P509 L512L462-L538 HydrophobicContact CD1-CD1 3.62Å; W463-L538 HydrophobicContact CZ2-CB 4.24Å; W463-L538 HydrophobicContact CZ2-CD1 4.28Å; I491-L538 PolarHBondContact O-N 3.39Å; T492-L538 HydrophobicContact CG2-CB 4.16Å; T492-L538 HydrophobicContact CG2-CD2 4.25Å; Q493-L538 PolarHBondContact N-O 3.47Å; P509-L538 HydrophobicContact CB-CD1 3.86Å; P509-L538 HydrophobicContact CB-CD2 3.69Å; P509-L538 HydrophobicContact CB-CG 3.67Å; P509-L538 HydrophobicContact CG-CD2 4.42Å; L512-L538 HydrophobicContact CB-CD1 4.41Å; L512-L538 HydrophobicContact CD1-CD1 4.41Å
539I88.1Confident77.9Confident48 Ų4846.4 Ų46.425%0.24630%0.301CS..EExtended strand (participates in β ladder)trans-91.9119.3-177.7-56.4177000109.2F495 P509 G510 A511 V513F495-I539 HydrophobicContact CD2-CG2 4.17Å; F495-I539 HydrophobicContact CE2-CG2 4.13Å; P509-I539 CarbonylContact C-O 3.46Å; P509-I539 WeakPolarHBondContact CA-O 3.12Å; G510-I539 PolarHBondContact N-O 3.16Å; A511-I539 HydrophobicContact CB-CB 4.31Å; A511-I539 PolarHBondContact N-O 3.42Å; A511-I539 PolarHBondContact O-N 3.21Å; V513-I539 HydrophobicContact CG2-CD1 3.59Å; V513-I539 HydrophobicContact CG2-CG1 4.41Å
540S85.7Confident76.4Confident12 Ų1252.4 Ų52.48%0.08433%0.331CS..EExtended strand (participates in β ladder)trans-112.8143.1-179.8-55.20000112.1Q493 F495 L508Q493-S540 PolarHBondContact O-N 2.83Å; F495-S540 PolarHBondContact N-O 2.96Å; L508-S540 WeakPolarHBondContact O-CA 3.03Å
541S80.1Confident75.2Confident64 Ų6457.6 Ų57.645%0.44836%0.356SS..EExtended strand (participates in β ladder)trans-125.5151.6176.762.60000110.8L508 F543L508-S541 PolarHBondContact N-O 2.83Å; L508-S541 PolarHBondContact O-N 2.85Å; S541-F543 PolarHBondContact O-N 3.34Å
542S76.4Confident74.4Confident73 Ų7362.3 Ų62.351%0.5137%0.373SS..EExtended strand (participates in β ladder)trans-59124.4174.657.10000110.5
543F70.4Confident73.9Confident18 Ų1863.7 Ų63.78%0.07938%0.382CS..  trans-106.1109.1178-171.4-99.2000109.4L445 C451 C506 L508 S541 E545 I554L445-F543 HydrophobicContact CD1-CZ 4.2Å; C451-F543 HydrophobicContact CB-CD1 4.07Å; C451-F543 VanDerWaalsContact SG-CD1 3.54Å; C506-F543 PolarHBondContact O-N 2.93Å; L508-F543 HydrophobicContact CB-CB 3.74Å; L508-F543 HydrophobicContact CB-CD2 4.1Å; L508-F543 HydrophobicContact CB-CG 4.12Å; L508-F543 HydrophobicContact CD2-CD2 3.62Å; L508-F543 HydrophobicContact CD2-CE2 3.92Å; L508-F543 HydrophobicContact CD2-CG 4.36Å; L508-F543 HydrophobicContact CG-CD2 4.4Å; S541-F543 PolarHBondContact O-N 3.34Å; F543-E545 PolarHBondContact O-N 3.18Å; F543-I554 HydrophobicContact CE2-CD1 3.91Å; F543-I554 HydrophobicContact CE2-CG1 4.13Å; F543-I554 HydrophobicContact CZ-CD1 4.29Å
544P62.8Low73.5Confident75 Ų7562.3 Ų62.349%0.48738%0.375SS..  trans-69.2130.6178.424.7-28.7000109.5A546 R552P544-A546 PolarHBondContact O-N 3.43Å; P544-R552 PolarHBondContact O-NH1 2.95Å
545E56.6Low73.2Confident153 Ų15368.3 Ų68.372%0.71541%0.406SS*.  trans-56.7131.6174.4-77.6-173.6144.400110.1F543 S547F543-E545 PolarHBondContact O-N 3.18Å; E545-S547 PolarHBondContact O-N 3.05Å
546A53.8Low73Confident57 Ų5767.1 Ų67.147%0.47140%0.398SS..  trans-75.1112.2-175.600000110.1P544 S548P544-A546 PolarHBondContact O-N 3.43Å; A546-S548 PolarHBondContact O-N 3.4Å
547S47.5Very low73Confident112 Ų11269 Ų6978%0.78341%0.411SS*.  trans-72.8109.8160.150.90000109.1E545E545-S547 PolarHBondContact O-N 3.05Å
548S48.7Very low73.1Confident102 Ų10267.9 Ų67.971%0.71341%0.406SS*.SBendtrans56.9114161.8-173.40000118.7A546 N550A546-S548 PolarHBondContact O-N 3.4Å; S548-N550 VanDerWaalsContact C-N 3.32Å; S548-N550 PolarHBondContact O-N 2.87Å
549G52.1Low73.4Confident66 Ų6668.6 Ų68.668%0.6841%0.413SS*.SBendtrans73.3-17.8142.400000120.7
550N58.8Low73.8Confident137 Ų13766.3 Ų66.373%0.73340%0.401SS*.  trans-88131.8-174-68.5-16.9000112.7S548 R552S548-N550 VanDerWaalsContact C-N 3.32Å; S548-N550 PolarHBondContact O-N 2.87Å; N550-R552 PolarHBondContact O-N 2.84Å
551E65.6Low74.3Confident146 Ų14668 Ų6868%0.68241%0.41SS*.  trans-58.5130.9167.6-73.7-171.9162.500110.1L445L445-E551 WeakPolarHBondContact O-CA 3.3Å
552R74.7Confident75Confident99 Ų9966.2 Ų66.237%0.37440%0.395SS..EExtended strand (participates in β ladder)trans-123.5137.4178.2-166.3170.5-175.9178.81.2110.4L445 P544 N550L445-R552 PolarHBondContact N-O 3.18Å; L445-R552 PolarHBondContact O-N 3.39Å; P544-R552 PolarHBondContact O-NH1 2.95Å; N550-R552 PolarHBondContact O-N 2.84Å
553T79.6Confident75.8Confident75 Ų7565.2 Ų65.246%0.4639%0.385SS..EExtended strand (participates in β ladder)trans-106.5130175-57.50000109.8K442 L443K442-T553 HydrophobicContact CB-CG2 3.72Å; K442-T553 HydrophobicContact CD-CG2 4.49Å; K442-T553 HydrophobicContact CG-CG2 4.04Å; L443-T553 WeakPolarHBondContact O-CA 3.47Å
554I83.1Confident76.7Confident15 Ų1567.9 Ų67.98%0.07740%0.4CS..EExtended strand (participates in β ladder)trans-106.9134.6175-63.8159.2000108.4K442 L443 L445 V454 L508 F543 I556K442-I554 WeakPolarHBondContact CA-O 3.5Å; L443-I554 HydrophobicContact CB-CB 4.47Å; L443-I554 PolarHBondContact N-O 2.85Å; L443-I554 PolarHBondContact O-N 2.91Å; L445-I554 HydrophobicContact CD1-CD1 3.42Å; L445-I554 VanDerWaalsContact CD1-CD1 3.42Å; L445-I554 HydrophobicContact CD1-CG1 4.36Å; L445-I554 HydrophobicContact CD2-CD1 4.44Å; L445-I554 HydrophobicContact CG-CD1 3.96Å; V454-I554 HydrophobicContact CG1-CD1 3.8Å; L508-I554 HydrophobicContact CD2-CD1 3.68Å; L508-I554 HydrophobicContact CD2-CG1 4.11Å; L508-I554 HydrophobicContact CD2-CG2 3.78Å; F543-I554 HydrophobicContact CE2-CD1 3.91Å; F543-I554 HydrophobicContact CE2-CG1 4.13Å; F543-I554 HydrophobicContact CZ-CD1 4.29Å; I554-I556 HydrophobicContact CG2-CG1 4.05Å
555L86.8Confident77.8Confident126 Ų12667.3 Ų67.366%0.6640%0.396SS*.EExtended strand (participates in β ladder)trans-88.8126.4170.4-65171.6000109.3K442K442-L555 HydrophobicContact CG-CD2 3.68Å
556I90.1Very high79Confident2 Ų261.3 Ų61.31%0.0137%0.37CS..EExtended strand (participates in β ladder)trans-118.8131.8178.2-56.6172.4000106.9L413 G440 C441 L443 V458 L461 L462 G510 I554L413-I556 HydrophobicContact CD2-CG2 4.37Å; G440-I556 CarbonylContact C-O 3.14Å; G440-I556 WeakPolarHBondContact CA-O 3.37Å; C441-I556 PolarHBondContact N-O 2.66Å; C441-I556 PolarHBondContact O-N 3.17Å; L443-I556 HydrophobicContact CB-CD1 3.71Å; L443-I556 HydrophobicContact CD2-CD1 3.96Å; L443-I556 HydrophobicContact CG-CD1 4.45Å; V458-I556 HydrophobicContact CB-CD1 4.3Å; V458-I556 HydrophobicContact CG1-CD1 3.76Å; V458-I556 HydrophobicContact CG1-CG1 3.9Å; V458-I556 HydrophobicContact CG1-CG2 4.22Å; V458-I556 HydrophobicContact CG2-CD1 3.86Å; L461-I556 HydrophobicContact CD1-CD1 3.81Å; L462-I556 HydrophobicContact CD1-CG2 4.45Å; L462-I556 HydrophobicContact CD2-CG2 3.36Å; L462-I556 HydrophobicContact CG-CG2 3.73Å; G510-I556 WeakPolarHBondContact O-CA 3Å; I554-I556 HydrophobicContact CG2-CG1 4.05Å
557S92.4Very high79.9Confident39 Ų3961.3 Ų61.327%0.27337%0.37SS..EExtended strand (participates in β ladder)trans-141.4152.5-179.162.10000113.6S439 L462 G510 A511 L512S439-S557 CarbonylContact O-C 3.58Å; S439-S557 VanDerWaalsContact O-CA 3.27Å; S439-S557 WeakPolarHBondContact O-CA 3.26Å; S439-S557 WeakPolarHBondContact O-CB 3.25Å; L462-S557 VanDerWaalsContact CD2-O 3.23Å; L462-S557 WeakPolarHBondContact CD2-O 3.33Å; G510-S557 PolarHBondContact O-N 3.34Å; G510-S557 VanDerWaalsContact O-N 3.08Å; A511-S557 CarbonylContact C-O 3.55Å; A511-S557 WeakPolarHBondContact CA-O 3.32Å; L512-S557 PolarHBondContact N-O 2.87Å
558T93.4Very high80.9Confident0 Ų061.1 Ų61.10%037%0.366CS..EExtended strand (participates in β ladder)trans-129.1134.2173.357.80000108.8I412 L413 Q438 S439 L462 L512I412-T558 HydrophobicContact CB-CG2 4.5Å; L413-T558 HydrophobicContact CB-CG2 3.56Å; L413-T558 WeakPolarHBondContact CB-OG1 3.37Å; L413-T558 PolarHBondContact N-OG1 2.88Å; Q438-T558 WeakPolarHBondContact CA-O 3.47Å; S439-T558 PolarHBondContact N-O 2.98Å; S439-T558 PolarHBondContact O-N 3.29Å; L462-T558 HydrophobicContact CD2-CG2 3.71Å; L512-T558 HydrophobicContact CB-CG2 4.15Å; L512-T558 CarbonylContact O-C 3.53Å; L512-T558 WeakPolarHBondContact O-CA 3.42Å
559A95.6Very high81.6Confident22 Ų2261.4 Ų61.418%0.18238%0.375CS..EExtended strand (participates in β ladder)trans-128.1144.917600000110.1M437 Q438 L512 I514M437-A559 CarbonylContact O-C 3.49Å; M437-A559 WeakPolarHBondContact O-CA 3.36Å; Q438-A559 HydrophobicContact CG-CB 4.39Å; L512-A559 PolarHBondContact O-N 3.29Å; I514-A559 PolarHBondContact N-O 3.11Å
560V96.7Very high82Confident0 Ų066.7 Ų66.70%038%0.382CS..EExtended strand (participates in β ladder)trans-128.5127.3174.8-172.60000109I412 V431 T436 M437 I514 V516 F562I412-V560 HydrophobicContact CD1-CG2 4.08Å; I412-V560 HydrophobicContact CG2-CG2 3.6Å; V431-V560 HydrophobicContact CG1-CG1 3.82Å; V431-V560 HydrophobicContact CG1-CG2 4.38Å; V431-V560 HydrophobicContact CG2-CG2 4.03Å; T436-V560 CarbonylContact C-O 3.53Å; T436-V560 VanDerWaalsContact CA-O 3.31Å; T436-V560 WeakPolarHBondContact CA-O 3.37Å; T436-V560 WeakPolarHBondContact CG2-O 3.38Å; M437-V560 PolarHBondContact N-O 2.81Å; M437-V560 PolarHBondContact O-N 3.15Å; I514-V560 HydrophobicContact CB-CG1 4.41Å; I514-V560 HydrophobicContact CB-CG2 4.19Å; I514-V560 HydrophobicContact CD1-CG2 4.3Å; I514-V560 HydrophobicContact CG2-CG1 4.39Å; I514-V560 CarbonylContact O-C 3.57Å; I514-V560 VanDerWaalsContact O-CA 3.25Å; I514-V560 WeakPolarHBondContact O-CA 3.5Å; V516-V560 HydrophobicContact CG2-CG1 4.24Å; V560-F562 HydrophobicContact CG1-CD2 4.46Å; V560-F562 HydrophobicContact CG1-CE2 3.98Å
561T96.3Very high81.7Confident46 Ų4664.8 Ų64.828%0.28239%0.386SS..EExtended strand (participates in β ladder)trans-118.6141.1175.1520000110.6T436 I514 V516T436-T561 HydrophobicContact CG2-CG2 4.07Å; I514-T561 PolarHBondContact O-N 3.47Å; I514-T561 PolarHBondContact O-OG1 3.3Å; V516-T561 PolarHBondContact N-O 3.19Å
562F94.4Very high81.2Confident28 Ų2861.4 Ų61.412%0.12339%0.389CS..EExtended strand (participates in β ladder)trans-108.6127.8172.6-75.3-92.6000109.7L388 V431 L432 F433 Y435 V516 V560L388-F562 HydrophobicContact CD1-CE1 4Å; L388-F562 HydrophobicContact CD1-CZ 3.85Å; L388-F562 HydrophobicContact CD2-CE1 4.32Å; L388-F562 HydrophobicContact CD2-CZ 4.46Å; L388-F562 HydrophobicContact CG-CE1 4.49Å; L388-F562 HydrophobicContact CG-CZ 4.24Å; V431-F562 HydrophobicContact CG1-CE2 4.22Å; V431-F562 HydrophobicContact CG1-CZ 3.99Å; L432-F562 VanDerWaalsContact O-CE2 3.24Å; L432-F562 WeakPolarHBondContact O-CE2 2.89Å; L432-F562 WeakPolarHBondContact O-CZ 3.35Å; F433-F562 HydrophobicContact CD2-CD1 4.05Å; F433-F562 AromaticContact CD2-CE1 3.64Å; F433-F562 HydrophobicContact CD2-CE1 3.64Å; F433-F562 HydrophobicContact CD2-CZ 4.5Å; F433-F562 HydrophobicContact CE2-CD1 4.18Å; F433-F562 HydrophobicContact CE2-CE1 4.2Å; F433-F562 HydrophobicContact CG-CE1 4.48Å; Y435-F562 VanDerWaalsContact O-CD2 3.3Å; Y435-F562 WeakPolarHBondContact O-CD2 3.47Å; Y435-F562 WeakPolarHBondContact O-CE2 3.42Å; V516-F562 HydrophobicContact CB-CD1 3.77Å; V516-F562 HydrophobicContact CB-CE1 3.77Å; V516-F562 HydrophobicContact CB-CG 4.41Å; V516-F562 HydrophobicContact CB-CZ 4.4Å; V516-F562 HydrophobicContact CG1-CD1 3.79Å; V516-F562 HydrophobicContact CG1-CE1 3.6Å; V516-F562 HydrophobicContact CG2-CE1 4.18Å; V516-F562 HydrophobicContact CG2-CZ 4.37Å; V516-F562 WeakPolarHBondContact O-CA 3.25Å; V560-F562 HydrophobicContact CG1-CD2 4.46Å; V560-F562 HydrophobicContact CG1-CE2 3.98Å
563V91.9Very high80.1Confident51 Ų5166.6 Ų66.631%0.30942%0.415SS..EExtended strand (participates in β ladder)trans-121.6119.4-178.1-175.10000109.5E515 V516 K517 W518 V565E515-V563 HydrophobicContact CG-CG2 4Å; V516-V563 PolarHBondContact O-N 3.39Å; K517-V563 WeakPolarHBondContact CA-O 3.3Å; K517-V563 HydrophobicContact CG-CB 4.35Å; W518-V563 VanDerWaalsContact CD1-O 3.29Å; W518-V563 PolarHBondContact N-O 3.3Å; V563-V565 HydrophobicContact CG1-CG1 4.1Å
564D89.1Confident78.9Confident74 Ų7472.1 Ų72.140%0.39643%0.428SS..EExtended strand (participates in β ladder)trans-77.1118.4171.9-172.2-8.1000109.1W518 S566W518-D564 HydrophobicContact CH2-CB 4.35Å; W518-D564 HydrophobicContact CZ2-CB 3.75Å; W518-D564 WeakPolarHBondContact O-CA 3.46Å; D564-S566 WeakPolarHBondContact OD1-CB 3.48Å; D564-S566 PolarHBondContact OD1-N 2.86Å; D564-S566 PolarHBondContact OD1-OG 3.16Å
565V87.6Confident77.6Confident64 Ų6475.2 Ų75.239%0.38846%0.456SS..  trans-113.724.3177.2-610000111.9K517 W518 V532 V563 A567K517-V565 HydrophobicContact CB-CG1 4.22Å; K517-V565 HydrophobicContact CB-CG2 4.28Å; K517-V565 HydrophobicContact CD-CG1 4.16Å; K517-V565 HydrophobicContact CG-CG1 4.36Å; W518-V565 WeakPolarHBondContact O-CG2 3.41Å; W518-V565 PolarHBondContact O-N 2.97Å; V532-V565 HydrophobicContact CG2-CG2 3.62Å; V563-V565 HydrophobicContact CG1-CG1 4.1Å; V565-A567 PolarHBondContact O-N 3.5Å
566S80.8Confident76.2Confident26 Ų2674.7 Ų74.718%0.18246%0.46CS..PPolyproline II helixtrans-58.8134.8172.2-55.60000110.6T519 K520 D564T519-S566 WeakPolarHBondContact OG1-CA 3.38Å; K520-S566 PolarHBondContact N-OG 2.81Å; D564-S566 WeakPolarHBondContact OD1-CB 3.48Å; D564-S566 PolarHBondContact OD1-N 2.86Å; D564-S566 PolarHBondContact OD1-OG 3.16Å
567A72.7Confident74.5Confident57 Ų5779.6 Ų79.647%0.47149%0.491SS..PPolyproline II helixtrans-58.6132.5176.600000110V565V565-A567 PolarHBondContact O-N 3.5Å
568P68.2Low73.1Confident108 Ų10882 Ų8270%0.70151%0.514SS*.PPolyproline II helixtrans-63.7152173.727.5-33000110E570P568-E570 PolarHBondContact O-N 3.42Å
569A63.6Low71.8Confident109 Ų10989.2 Ų89.290%0.90155%0.551SS**PPolyproline II helixtrans-67.2121.7175.100000110
570E59.6Low70Confident177 Ų17796 Ų9683%0.82758%0.584SS**PPolyproline II helixtrans-89.8129.2173-67.6-173.3172.900110.6P568 G572P568-E570 PolarHBondContact O-N 3.42Å; E570-G572 PolarHBondContact O-N 2.82Å
571A54.5Low68.9Low97 Ų9798.9 Ų98.980%0.80261%0.608SS**  trans-75.8105.8175.900000109.9
572G53.8Low67.6Low74 Ų74108.7 Ų108.776%0.76364%0.64SS**  trans-112.9118.3172.200000111.3E570E570-G572 PolarHBondContact O-N 2.82Å
573F51.7Low67Low208 Ų208111.5 Ų111.591%0.91266%0.656SS**  trans-90.2115.1168.9-62.8-82.8000109
574R55.2Low66.5Low192 Ų192112.9 Ų112.973%0.72567%0.666SS**PPolyproline II helixtrans-88.7162.3164.2-103.2-163.1-173.4-152.53.4110.6
575A54.6Low66.1Low80 Ų80119.2 Ų119.266%0.66169%0.69SS**PPolyproline II helixtrans-47.1134.6-179.800000111.2
576P57.4Low65.8Low115 Ų115120.2 Ų120.275%0.74769%0.694SS**PPolyproline II helixtrans-52.7141.7178.119.6-30.5000109.9A578P576-A578 PolarHBondContact O-N 2Å
577P55.7Low65.9Low104 Ų104124.5 Ų124.568%0.67571%0.709SS**PPolyproline II helixtrans-55.1133.3-178.222.3-32.1000109.7I579P577-I579 PolarHBondContact O-N 3.21Å
578A61.9Low66.4Low90 Ų90127.7 Ų127.774%0.74471%0.712SS**  trans-64111.6174.900000108.6P576 N580P576-A578 PolarHBondContact O-N 2Å; A578-N580 PolarHBondContact O-N 3.18Å
579I67.3Low66.8Low152 Ų152130.5 Ų130.578%0.77971%0.714SS**  trans-71.997.3175.1-60173.2000107.3P577 A581P577-I579 PolarHBondContact O-N 3.21Å; I579-A581 HydrophobicContact CG2-CB 3.92Å; I579-A581 PolarHBondContact O-N 3.32Å
580N56.8Low67.6Low163 Ų163129.4 Ų129.487%0.87270%0.698SS**  trans-77.768168.6-98.6-27.9000109.5A578 R582A578-N580 PolarHBondContact O-N 3.18Å; N580-R582 PolarHBondContact O-N 3.41Å
581A74.4Confident68.2Low62 Ų62129.8 Ų129.851%0.51270%0.697SS.*  trans-76.8112.9172.100000109.3I579 L583I579-A581 HydrophobicContact CG2-CB 3.92Å; I579-A581 PolarHBondContact O-N 3.32Å; A581-L583 HydrophobicContact CB-CD2 4.32Å; A581-L583 HydrophobicContact CB-CG 4.37Å; A581-L583 PolarHBondContact O-N 3.28Å
582R69.3Low68.5Low251 Ų251133.6 Ų133.695%0.94771%0.71SS**  trans-84100.1163.2-71.6-172.7-179.5-178.70.9107.7N580N580-R582 PolarHBondContact O-N 3.41Å
583L81.7Confident69.2Low87 Ų87136.6 Ų136.646%0.45571%0.708SS.*  trans-82.4141.6176.7-61.6173000109.7A581 F587 F588A581-L583 HydrophobicContact CB-CD2 4.32Å; A581-L583 HydrophobicContact CB-CG 4.37Å; A581-L583 PolarHBondContact O-N 3.28Å; L583-F587 HydrophobicContact CB-CB 3.9Å; L583-F587 HydrophobicContact CB-CD2 4.36Å; L583-F587 HydrophobicContact CB-CG 4.02Å; L583-F587 HydrophobicContact CD1-CD1 3.64Å; L583-F587 HydrophobicContact CD1-CD2 4.42Å; L583-F587 HydrophobicContact CD1-CE1 3.82Å; L583-F587 HydrophobicContact CD1-CG 3.94Å; L583-F587 HydrophobicContact CD1-CZ 4.29Å; L583-F587 HydrophobicContact CD2-CD1 4.42Å; L583-F587 HydrophobicContact CD2-CD2 3.73Å; L583-F587 HydrophobicContact CD2-CE1 4.43Å; L583-F587 HydrophobicContact CD2-CE2 3.74Å; L583-F587 HydrophobicContact CD2-CG 4.06Å; L583-F587 HydrophobicContact CD2-CZ 4.09Å; L583-F587 HydrophobicContact CG-CD1 4.41Å; L583-F587 HydrophobicContact CG-CD2 4.38Å; L583-F587 HydrophobicContact CG-CG 4.22Å; L583-F588 HydrophobicContact CD1-CE2 4.4Å
584P81.4Confident70.1Confident81 Ų81132.8 Ų132.853%0.52670%0.697SS.*  trans-54.8153170.1-23.633.4000111.4N586 F587P584-N586 WeakPolarHBondContact CB-OD1 2.92Å; P584-N586 PolarHBondContact O-N 3.43Å; P584-F587 WeakPolarHBondContact O-CB 3.42Å; P584-F587 PolarHBondContact O-N 3.42Å
585F79.2Confident70.9Confident206 Ų206129.6 Ų129.690%0.90470%0.695SS**THydrogen-bonded Turntrans-56.8-22.6-174.480.1-88.3000114.2
586N81.5Confident71.9Confident86 Ų86132.5 Ų132.546%0.4670%0.697SS.*THydrogen-bonded Turntrans-107.112.2-175.159.1-22.9000113.9P584 F588 F589P584-N586 WeakPolarHBondContact CB-OD1 2.92Å; P584-N586 PolarHBondContact O-N 3.43Å; N586-F588 PolarHBondContact O-N 2.79Å; N586-F588 VanDerWaalsContact O-N 3.08Å; N586-F589 HydrophobicContact CB-CB 4.43Å; N586-F589 WeakPolarHBondContact O-CB 2.9Å; N586-F589 PolarHBondContact O-N 3.24Å
587F83.4Confident72.8Confident115 Ų115133.6 Ų133.650%0.50469%0.694SS.*THydrogen-bonded Turntrans-54.6-32.4-175-179.5-94.9000114.1L583 P584L583-F587 HydrophobicContact CB-CB 3.9Å; L583-F587 HydrophobicContact CB-CD2 4.36Å; L583-F587 HydrophobicContact CB-CG 4.02Å; L583-F587 HydrophobicContact CD1-CD1 3.64Å; L583-F587 HydrophobicContact CD1-CD2 4.42Å; L583-F587 HydrophobicContact CD1-CE1 3.82Å; L583-F587 HydrophobicContact CD1-CG 3.94Å; L583-F587 HydrophobicContact CD1-CZ 4.29Å; L583-F587 HydrophobicContact CD2-CD1 4.42Å; L583-F587 HydrophobicContact CD2-CD2 3.73Å; L583-F587 HydrophobicContact CD2-CE1 4.43Å; L583-F587 HydrophobicContact CD2-CE2 3.74Å; L583-F587 HydrophobicContact CD2-CG 4.06Å; L583-F587 HydrophobicContact CD2-CZ 4.09Å; L583-F587 HydrophobicContact CG-CD1 4.41Å; L583-F587 HydrophobicContact CG-CD2 4.38Å; L583-F587 HydrophobicContact CG-CG 4.22Å; P584-F587 WeakPolarHBondContact O-CB 3.42Å; P584-F587 PolarHBondContact O-N 3.42Å
588F83.2Confident73.9Confident124 Ų124135.5 Ų135.554%0.54470%0.695SS.*THydrogen-bonded Turntrans-101.79.3179.2-64.2-73.9000114.5L583 N586 F591 V592L583-F588 HydrophobicContact CD1-CE2 4.4Å; N586-F588 PolarHBondContact O-N 2.79Å; N586-F588 VanDerWaalsContact O-N 3.08Å; F588-F591 WeakPolarHBondContact O-CA 3.47Å; F588-F591 PolarHBondContact O-N 3.35Å; F588-V592 HydrophobicContact CB-CG2 3.2Å; F588-V592 HydrophobicContact CG-CG2 4.09Å
589F76.6Confident74.8Confident167 Ų167138.8 Ų138.873%0.73269%0.692SS**THydrogen-bonded Turntrans-74134178.2-173.4-92.9000111.2N586N586-F589 HydrophobicContact CB-CB 4.43Å; N586-F589 WeakPolarHBondContact O-CB 2.9Å; N586-F589 PolarHBondContact O-N 3.24Å
590P79.7Confident75.4Confident87 Ų87137.8 Ų137.857%0.56569%0.685SS**THydrogen-bonded Turncis-101.327-0.840.2-34.6000113.6V592P590-V592 VanDerWaalsContact C-N 3.35Å; P590-V592 PolarHBondContact O-N 2.89Å
591F73.8Confident76.9Confident184 Ų184135.7 Ų135.781%0.80767%0.67SS**  trans-87.17.5-168.3-58.7-75.2000115F588F588-F591 WeakPolarHBondContact O-CA 3.47Å; F588-F591 PolarHBondContact O-N 3.35Å
592V58.9Low77.2Confident178 Ų178142.4 Ų142.4100%1.07968%0.684SS**  trans-123.90173.5-139.30000111.2F588 P590F588-V592 HydrophobicContact CB-CG2 3.2Å; F588-V592 HydrophobicContact CG-CG2 4.09Å; P590-V592 VanDerWaalsContact C-N 3.35Å; P590-V592 PolarHBondContact O-N 2.89Å

Retrieved 592 of 592 residues in 301 ms (Link to these results)