X5DP27_HUMAN Loading...

T-box transcription factor TBX6

T-box transcription factor that plays an essential role in the determination of the fate of axial stem cells: neural vs mesodermal. Acts in part by down-regulating, a specific enhancer (N1) of SOX2, to inhibit neural development. Seems to play also an essential role in left/right axis determination and acts through effects on Notch signaling around the node as well as through an effect on the morphology and motility of the nodal cilia.

AlphaFold DB , UniProt , Accession X5DP27, Species HUMAN (Homo sapiens, Human), Gene TBX6, Length 468 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
1M32.6Very low35Very low230 Ų230168.5 Ų168.5100%1.13382%0.821SS**  098.90-69.3-152.1-120.300106.7
2Y29.1Very low34.7Very low223 Ų223160.3 Ų160.388%0.87581%0.814SS**  109.2112.194-102.5-77.3000109.9
3H28.2Very low34.7Very low159 Ų159156.3 Ų156.374%0.73682%0.82SS**  trans-48.7159.6157.6-130.2-73.3000111.7
4P41.7Very low34.5Very low117 Ų117149.2 Ų149.276%0.7680%0.803SS**  trans-108.6120.1134.6-5.424.8000110.3
5R37.1Very low34.3Very low208 Ų208155.1 Ų155.179%0.78581%0.812SS**  trans-66.8167.4144-68.2-179.9150-176.2-4.8107
6E35.5Very low34.2Very low161 Ų161161.1 Ų161.175%0.75282%0.82SS**  -164.8144.351.5-70176.3167.500105.5
7L32.2Very low34.4Very low167 Ų167162.2 Ų162.287%0.87483%0.828SS**  -160.7128.778.4-78.7158.2000109.9
8Y32.6Very low34.4Very low198 Ų198156.8 Ų156.878%0.77682%0.819SS**  trans-109.6164.7167-110.4-74.2000107.3
9P45.3Very low34.9Very low120 Ų120155.9 Ų155.978%0.77982%0.824SS**  -136.8151.258.228.3-6000113.4
10S35.8Very low35Very low84 Ų84152.8 Ų152.859%0.58782%0.82SS**  cis63.499.841.472.60000116.9
11L35.2Very low35Very low186 Ų186153.9 Ų153.997%0.97482%0.82SS**  trans-154.8126.3143.3-83.5167.6000105.3
12G31.4Very low35.6Very low71 Ų71148 Ų14873%0.73280%0.8SS**  cis133.81086.200000109.9
13A34.2Very low35.7Very low108 Ų108141.2 Ų141.289%0.89380%0.797SS**  trans54.4147.1157.900000119.2
14G31.6Very low35.9Very low57 Ų57138.5 Ų138.559%0.58880%0.803SS**  cis136.7124.813.100000107.6
15Y31.6Very low35.3Very low237 Ų237140.3 Ų140.393%0.92981%0.806SS**  trans-140.6130.3169.3-64.9-73.1000112.9
16R33.2Very low35Very low251 Ų251135.4 Ų135.495%0.94780%0.804SS**  trans-78.6153.4177.4-80.9178.4170.2173.5-3.3111.8
17L38.3Very low34.8Very low181 Ų181133 Ų13395%0.94880%0.804SS**  trans-67.4139.9161.7-76.5154000111.6
18G33.2Very low34.8Very low65 Ų65134.5 Ų134.567%0.6780%0.804SS**  trans-128.1159.1168.900000111.8
19P44.7Very low35.1Very low140 Ų140130.7 Ų130.791%0.90980%0.804SS**  trans-94.7174.8-160.237.9-34.7000115.3
20A36.7Very low35.1Very low92 Ų92130.2 Ų130.276%0.7680%0.801SS**  trans-87.7159.5-177.200000115
21Q34.3Very low34.9Very low176 Ų176130.4 Ų130.482%0.82281%0.807SS**  trans152.8167.1146.2-80.4-86.1-36.100110.3
22P44.7Very low34.7Very low108 Ų108129.7 Ų129.770%0.70180%0.804SS**  -135.4168.1-61.737-18.9000114.8
23G31.2Very low34.6Very low79 Ų79130.3 Ų130.381%0.81480%0.801SS**  trans86.3113.4144.600000119.6
24A33.7Very low34.4Very low103 Ų103134.3 Ų134.385%0.85180%0.802SS**  -178.5135.2128.300000110.6
25D29.5Very low34.3Very low154 Ų154135.2 Ų135.282%0.82481%0.811SS**  trans-75.8170.5-167.8-70.6-54.3000116.2
26S30.4Very low34Very low106 Ų106134.5 Ų134.574%0.74181%0.808SS**  trans96107.6134.171.60000119.6
27S30.1Very low33.8Very low109 Ų109134.4 Ų134.476%0.76281%0.807SS**  61.7116129.4550000121.4
28F32.3Very low33.2Very low199 Ų199135.5 Ų135.587%0.87380%0.8SS**  trans-23.2156.4142.9-79.6-85.1000115.6
29P40.8Very low33.6Very low119 Ų119137.5 Ų137.577%0.77380%0.802SS**  -154.2-146.355.738.5-11.2000114.6
30P44.5Very low33Very low110 Ų110138.1 Ų138.171%0.71479%0.793SS**  -127.2172.5-95.241.1-22.9000115.8
31A31.1Very low32.9Very low88 Ų88140.3 Ų140.373%0.72779%0.791SS**  trans60.4136.3142.100000123.4
32L31.3Very low32.7Very low171 Ų171138.3 Ų138.390%0.89579%0.786SS**  trans103.9120.1143.6-74.3162.4000121.1
33A29.1Very low31.9Very low83 Ų83139.3 Ų139.369%0.68679%0.79SS**  trans83.4107.3130.500000120.6
34E30.3Very low32Very low193 Ų193141.7 Ų141.790%0.90279%0.791SS**  trans51.1123131.8-63.7-170157.800121.1
35G28.5Very low31.8Very low75 Ų75145.8 Ų145.877%0.77379%0.79SS**  trans-177.787.316700000113.5
36Y26.3Very low31.8Very low222 Ų222146.3 Ų146.387%0.87179%0.792SS**  trans-24.8134168.5-72.6-98.1000119.6
37R28.3Very low31.6Very low249 Ų249148.3 Ų148.394%0.9479%0.794SS**  -174.2123.5125-111.2-178-175.7155.21.8113.3
38Y26.1Very low31.5Very low204 Ų204148.2 Ų148.280%0.879%0.792SS**  trans-80.6175.2161.3-108.7-107.6000110.5E40Y38-E40 HydrophobicContact CD1-CB 4.36Å
39P42.1Very low31.3Very low107 Ų107148.4 Ų148.470%0.69579%0.793SS**  cis-132.1151.917.9233.7000116.6
40E31.4Very low30.7Very low154 Ų154151 Ų15172%0.7280%0.799SS**  80117.185.2-143.7178.4-154.300114Y38Y38-E40 HydrophobicContact CD1-CB 4.36Å
41L35.8Very low30Very low137 Ų137152.1 Ų152.172%0.71781%0.81SS**  176.3153.394.7-79.5150.1000106.3
42D28.8Very low29.8Very low134 Ų134151.3 Ų151.372%0.71781%0.81SS**  cis-166.8147.411.8-123.1-29.1000109.4
43T29.3Very low29.8Very low129 Ų129151.8 Ų151.879%0.79181%0.81SS**  trans-135.4129.6161.125.30000108.1
44P31.6Very low29.9Very low130 Ų130156.9 Ų156.984%0.84482%0.82SS**  trans-85.5124.1178.430.1-30.1000112.4
45K30Very low29.9Very low188 Ų188151.7 Ų151.782%0.81781%0.81SS**  trans-77.1168.1149.9-75.4177.5174.8175.70109.8
46L29Very low30Very low165 Ų165152.9 Ų152.986%0.86481%0.813SS**  trans-164.4111.1131.8-103.7144.5000111.7
47D26.1Very low31.1Very low149 Ų149147.9 Ų147.980%0.79781%0.807SS**  trans-84.5147.2144.4-76.6-52.4000108.1
48C28.5Very low31.2Very low107 Ų107147.3 Ų147.372%0.72381%0.805SS**  trans-175.4124145.9-104.10000110.9
49F28.5Very low31.5Very low202 Ų202143.7 Ų143.789%0.88680%0.804SS**  153.394.1127.2-92.9-76.9000111.6
50L28.1Very low31.4Very low173 Ų173146.8 Ų146.891%0.90681%0.814SS**  trans-151.2116.6150.5-80.7-175.6000109.9
51S29.4Very low31.4Very low134 Ų134144.1 Ų144.194%0.93782%0.819SS**  trans-177.3136.2136.3-88.40000111.9
52G27.3Very low31.4Very low71 Ų71142.5 Ų142.573%0.73283%0.825SS**  trans177.3103.4165.700000114.1
53M32.3Very low31.8Very low182 Ų182145 Ų14590%0.89783%0.831SS**  trans93.191.7144.7-53-179.273.500121.1
54E30.8Very low32.4Very low189 Ų189144.3 Ų144.388%0.88383%0.829SS**  63129.2105.5-159.1157165.200124.7
55A28.9Very low32.9Very low85 Ų85144.1 Ų144.170%0.70283%0.828SS**  trans84.2108.614200000125.5
56A30.7Very low33.3Very low100 Ų100143.1 Ų143.183%0.82683%0.831SS**  86.4151.7126.100000122.4
57P49.5Very low33.7Very low116 Ų116141.1 Ų141.175%0.75383%0.828SS**  trans-110.2166-141.741-34.6000114.6
58R31.1Very low34.4Very low237 Ų237142.5 Ų142.589%0.89483%0.834SS**  trans-170.8121.7145.5-82.3-135.9161.698.5-0114.7
59T31.7Very low34.9Very low129 Ų129145.3 Ų145.379%0.79184%0.841SS**  trans65.8129.6132.5-21.80000123.8
60L39.9Very low35.5Very low172 Ų172141 Ų14190%0.90183%0.834SS**  trans-56.8140.2170.3-81140.4000115.4
61A32.1Very low36.3Very low98 Ų98138.8 Ų138.881%0.8183%0.83SS**  trans-146.7141.1152.200000110.5
62A36.3Very low36.9Very low102 Ų102137.2 Ų137.284%0.84382%0.824SS**PPolyproline II helixtrans-72.5156.1-17000000115.1
63H36.7Very low37.3Very low186 Ų186142.6 Ų142.686%0.86183%0.833SS**PPolyproline II helixtrans-80.7144.6179.6-64.9-81.2000113.6
64P41.1Very low37.7Very low115 Ų115137.2 Ų137.275%0.74782%0.824SS**PPolyproline II helixtrans-85.6162.716833.8-31.1000112.7
65P43.6Very low37.8Very low127 Ų127135 Ų13583%0.82582%0.823SS**PPolyproline II helixtrans-82.1152.1-163.633.6-34.1000113.9
66L38.5Very low38.3Very low166 Ų166139.2 Ų139.287%0.86983%0.829SS**PPolyproline II helixtrans-76.4145.4179.1-67.7170.5000112.6
67P37.1Very low38.8Very low124 Ų124139.7 Ų139.781%0.80582%0.823SS**PPolyproline II helixtrans-85.6149172.933.1-30.8000112.9
68L40.1Very low38.2Very low178 Ų178138 Ų13893%0.93282%0.82SS**PPolyproline II helixtrans-72.2142.6-176.9-69159.6000113.2
69L39.4Very low38.9Very low166 Ų166133 Ų13387%0.86982%0.817SS**PPolyproline II helixtrans-75.7146.2174.2-81.7151.8000112.5
70P41Very low39.7Very low112 Ų112132.4 Ų132.473%0.72782%0.818SS**PPolyproline II helixtrans-86159169.134.2-30.2000112.4
71P45.6Very low40.1Very low126 Ų126127.8 Ų127.882%0.81881%0.805SS**PPolyproline II helixtrans-87.3158.5-164.134.8-34.5000114.3
72A41.3Very low41.1Very low100 Ų100125.9 Ų125.983%0.82679%0.785SS**PPolyproline II helixtrans-68137.5178.100000113.1
73M35.4Very low41.7Very low185 Ų185127.5 Ų127.591%0.91178%0.775SS**  trans-129.6116.5161.9-85.5-78.3-79.200108
74G40.6Very low42.5Very low69 Ų69120.7 Ų120.771%0.71175%0.751SS**  trans-80.1159.9-179.600000113.2
75T33Very low43Very low141 Ų141119.7 Ų119.787%0.86574%0.738SS**  trans-169.3113.7135.4-64.10000105.9
76E40.3Very low43.7Very low175 Ų175119 Ų11982%0.81872%0.724SS**PPolyproline II helixtrans-81.6124.3173.3-120.2-84.813300108.4
77P39.8Very low44.7Very low109 Ų109115.5 Ų115.571%0.70871%0.713SS**PPolyproline II helixtrans-89128.4169.432.3-26000110.6
78A36.8Very low46.3Very low82 Ų82110.8 Ų110.868%0.67868%0.681SS**PPolyproline II helixtrans-58.2153.8176.400000113.7S80A78-S80 PolarHBondContact O-N 2.7Å
79P47.4Very low48Very low131 Ų131108 Ų10885%0.85167%0.674SS**  trans-88.8107.1-174.633.7-30.4000111.6
80S48Very low50.1Low116 Ų116103.4 Ų103.481%0.81167%0.667SS**  trans-158.362.1165.553.40000114.9A78A78-S80 PolarHBondContact O-N 2.7Å
81A48.4Very low52.5Low75 Ų7599.1 Ų99.162%0.6264%0.638SS**SBendtrans-159.7150.8157.300000110.7E83A81-E83 PolarHBondContact O-N 3.02Å; A81-E83 VanDerWaalsContact O-N 3.16Å
82P53.7Low54.8Low59 Ų5996 Ų9638%0.38362%0.62SS.*  trans-63.5113.8165.426.7-30.9000108.6A84 R272 F273P82-A84 PolarHBondContact O-N 2.73Å; P82-R272 WeakPolarHBondContact CB-O 3.41Å; P82-F273 HydrophobicContact CB-CE1 4.43Å
83E48.3Very low57.4Low135 Ų13591.8 Ų91.863%0.63158%0.583SS**  trans-65.8102.8176.4-70.9-179156.700109.8A81 L85A81-E83 PolarHBondContact O-N 3.02Å; A81-E83 VanDerWaalsContact O-N 3.16Å; E83-L85 PolarHBondContact O-N 2.97Å
84A52.9Low60.3Low43 Ų4386 Ų8636%0.35556%0.561SS.*  trans-80.496.7170.900000108.6P82 H86 F271P82-A84 PolarHBondContact O-N 2.73Å; A84-H86 PolarHBondContact O-N 3.03Å; A84-F271 HydrophobicContact CB-CE1 4.47Å
85L51.6Low63Low94 Ų9483.5 Ų83.549%0.49253%0.531SS..SBendtrans-66-18.7-176.8-72.9168.4000113.2E83E83-L85 PolarHBondContact O-N 2.97Å
86H59.2Low66.1Low113 Ų11379.3 Ų79.352%0.52350%0.501SS..SBendtrans-149.4113.7174.3-59.5-108.9000105A84 M268 A269A84-H86 PolarHBondContact O-N 3.03Å; H86-M268 VanDerWaalsContact CB-O 3.27Å; H86-M268 WeakPolarHBondContact CB-O 3.38Å; H86-A269 WeakPolarHBondContact O-CA 3.43Å; H86-A269 WeakPolarHBondContact O-CB 3.16Å
87S58.4Low68.7Low92 Ų9275.2 Ų75.264%0.64349%0.485SS*.PPolyproline II helixtrans-101.8129.9-173.6580000111.3
88L71.7Confident71.4Confident25 Ų2575.4 Ų75.413%0.13147%0.472CS..PPolyproline II helixtrans-76.2117.6156-73.9168.6000105.9G90 V91 Y169 L254 A269L88-G90 PolarHBondContact O-N 3.14Å; L88-V91 HydrophobicContact CB-CB 4.03Å; L88-V91 HydrophobicContact CB-CG2 3.57Å; L88-V91 HydrophobicContact CD1-CG2 4.38Å; L88-V91 PolarHBondContact O-N 3.41Å; L88-V91 VanDerWaalsContact O-N 3.14Å; L88-Y169 HydrophobicContact CD1-CE1 4.42Å; L88-L254 HydrophobicContact CD1-CD2 3.81Å; L88-L254 HydrophobicContact CD1-CG 4.21Å; L88-A269 HydrophobicContact CB-CB 4.42Å; L88-A269 HydrophobicContact CD1-CB 4.18Å; L88-A269 HydrophobicContact CG-CB 4.13Å
89P75.3Confident74.3Confident121 Ų12177.8 Ų77.879%0.78647%0.469SS*.THydrogen-bonded Turntrans-59.6131.1-17521.7-30.9000110.4V91P89-V91 VanDerWaalsContact C-N 3.33Å; P89-V91 PolarHBondContact O-N 2.74Å
90G84.1Confident76.7Confident69 Ų6973.5 Ų73.571%0.71144%0.439SS*.THydrogen-bonded Turntrans84.8-7.2-179.800000115.8L88 G162L88-G90 PolarHBondContact O-N 3.14Å; G90-G162 WeakPolarHBondContact O-CA 3.46Å
91V91.3Very high79Confident22 Ų2268 Ų6813%0.13340%0.4CS..  trans-88.3129.7178-177.30000111.2L88 P89 L93 V160 T161 G162 L163 L254 F271L88-V91 HydrophobicContact CB-CB 4.03Å; L88-V91 HydrophobicContact CB-CG2 3.57Å; L88-V91 HydrophobicContact CD1-CG2 4.38Å; L88-V91 PolarHBondContact O-N 3.41Å; L88-V91 VanDerWaalsContact O-N 3.14Å; P89-V91 VanDerWaalsContact C-N 3.33Å; P89-V91 PolarHBondContact O-N 2.74Å; V91-L93 HydrophobicContact CG1-CD1 4.11Å; V91-V160 HydrophobicContact CG1-CG2 4.17Å; V91-T161 WeakPolarHBondContact CA-O 3.42Å; V91-G162 WeakPolarHBondContact CG2-O 3.26Å; V91-L163 HydrophobicContact CG1-CD2 3.77Å; V91-L163 HydrophobicContact CG2-CD2 3.89Å; V91-L254 HydrophobicContact CG1-CD2 3.64Å; V91-F271 HydrophobicContact CG1-CZ 4.39Å
92S93.1Very high81.4Confident61 Ų6169.2 Ų69.243%0.42739%0.392SS..EExtended strand (participates in β ladder)trans-130.3139.5173.555.40000112.2V160 T161S92-V160 WeakPolarHBondContact O-CA 3.5Å; S92-T161 PolarHBondContact N-O 2.87Å; S92-T161 PolarHBondContact O-N 3.37Å; S92-T161 PolarHBondContact OG-OG1 2.93Å
93L95.5Very high83.5Confident11 Ų1170.9 Ų70.96%0.05839%0.394CS..EExtended strand (participates in β ladder)trans-112.9136.9171.4-88.668.7000110V91 V158 S159 V160 F171 I252 F271 F273V91-L93 HydrophobicContact CG1-CD1 4.11Å; L93-V158 HydrophobicContact CD2-CB 4.47Å; L93-V158 HydrophobicContact CD2-CG2 4.13Å; L93-S159 CarbonylContact C-O 3.6Å; L93-S159 WeakPolarHBondContact CA-O 3.16Å; L93-V160 HydrophobicContact CD1-CB 4.09Å; L93-V160 HydrophobicContact CD1-CG2 3.66Å; L93-V160 HydrophobicContact CG-CB 4.27Å; L93-V160 HydrophobicContact CG-CG2 4.38Å; L93-F171 HydrophobicContact CD2-CE1 4Å; L93-I252 HydrophobicContact CD2-CB 4.48Å; L93-I252 HydrophobicContact CD2-CG2 3.83Å; L93-F271 HydrophobicContact CB-CD1 3.97Å; L93-F271 HydrophobicContact CB-CD2 4.46Å; L93-F271 HydrophobicContact CB-CE1 4.28Å; L93-F271 HydrophobicContact CB-CG 4.07Å; L93-F271 HydrophobicContact CD1-CD1 4.4Å; L93-F271 HydrophobicContact CD1-CD2 3.93Å; L93-F271 HydrophobicContact CD1-CE1 4.07Å; L93-F271 HydrophobicContact CD1-CE2 3.56Å; L93-F271 HydrophobicContact CD1-CG 4.34Å; L93-F271 HydrophobicContact CD1-CZ 3.64Å; L93-F271 HydrophobicContact CD2-CB 4.21Å; L93-F271 HydrophobicContact CD2-CD2 3.62Å; L93-F271 HydrophobicContact CD2-CE2 4.12Å; L93-F271 HydrophobicContact CD2-CG 3.87Å; L93-F271 HydrophobicContact CG-CD2 4.22Å; L93-F271 HydrophobicContact CG-CE2 4.34Å; L93-F271 HydrophobicContact CG-CG 4.32Å; L93-F273 HydrophobicContact CB-CZ 4.22Å
94S96.9Very high85.8Confident63 Ų6364.5 Ų64.544%0.44136%0.364SS..EExtended strand (participates in β ladder)trans-121.1138.6174.855.90000110.3V158 S159S94-V158 CarbonylContact O-C 3.49Å; S94-V158 WeakPolarHBondContact O-CA 3.26Å; S94-V158 WeakPolarHBondContact O-CB 3.41Å; S94-S159 PolarHBondContact N-O 3.26Å; S94-S159 PolarHBondContact O-N 3.49Å; S94-S159 WeakPolarHBondContact OG-CB 3.42Å; S94-S159 PolarHBondContact OG-O 3.5Å
95L97.8Very high88Confident16 Ų1664.7 Ų64.78%0.08436%0.363CS..EExtended strand (participates in β ladder)trans-81.4125.3178.6-177.270.4000110.2R98 W101 V158 F273 E275 T276L95-R98 HydrophobicContact CD2-CG 4.42Å; L95-W101 HydrophobicContact CD2-CB 4.16Å; L95-W101 HydrophobicContact CD2-CG 3.95Å; L95-V158 HydrophobicContact CD1-CG1 4.34Å; L95-F273 HydrophobicContact CB-CD1 3.71Å; L95-F273 HydrophobicContact CB-CD2 4.34Å; L95-F273 HydrophobicContact CB-CE1 3.78Å; L95-F273 HydrophobicContact CB-CE2 4.4Å; L95-F273 HydrophobicContact CB-CG 3.99Å; L95-F273 HydrophobicContact CB-CZ 4.13Å; L95-F273 HydrophobicContact CD1-CD2 4.18Å; L95-F273 HydrophobicContact CD1-CG 4.37Å; L95-F273 HydrophobicContact CD2-CB 4.06Å; L95-F273 HydrophobicContact CD2-CD1 4.46Å; L95-F273 HydrophobicContact CD2-CG 4.2Å; L95-F273 HydrophobicContact CG-CG 4.43Å; L95-E275 HydrophobicContact CD2-CG 3.79Å; L95-T276 HydrophobicContact CD1-CG2 4.04Å; L95-T276 HydrophobicContact CD2-CG2 3.64Å
96E97.8Very high90.1Very high53 Ų5364.9 Ų64.925%0.24837%0.372CS..THydrogen-bonded Turntrans-76.8149.1173.7-67-63.7139.800111.7R98 R157 S159 P221E96-R98 PolarHBondContact O-N 3.15Å; E96-R157 HydrophobicContact CB-CB 3.7Å; E96-R157 WeakPolarHBondContact CB-O 3.25Å; E96-R157 HydrophobicContact CG-CB 4.08Å; E96-R157 PolarHBondContact N-O 3.36Å; E96-S159 WeakPolarHBondContact OE1-CB 3.37Å; E96-S159 PolarHBondContact OE1-OG 3.24Å; E96-P221 HydrophobicContact CG-CB 3.68Å; E96-P221 HydrophobicContact CG-CG 4.07Å
97N95.1Very high91.8Very high90 Ų9061.1 Ų61.148%0.48136%0.357SS..THydrogen-bonded Turntrans51.442.2-176.7-60.4-26.4000112.2E99 L100 W101N97-E99 PolarHBondContact O-N 3.37Å; N97-L100 HydrophobicContact CB-CB 4.35Å; N97-L100 WeakPolarHBondContact O-CB 3.39Å; N97-L100 PolarHBondContact O-N 2.94Å; N97-L100 VanDerWaalsContact O-N 3.16Å; N97-W101 PolarHBondContact O-N 3.23Å
98R96.8Very high93.6Very high113 Ų11357.9 Ų57.943%0.42634%0.339SS..Hα-helixtrans-58.1-34.7-175.5-172.2177.9-174.9-175.74.5112.3L95 E96 W101 K102 E275L95-R98 HydrophobicContact CD2-CG 4.42Å; E96-R98 PolarHBondContact O-N 3.15Å; R98-W101 WeakPolarHBondContact O-CB 3.46Å; R98-W101 PolarHBondContact O-N 3.42Å; R98-K102 WeakPolarHBondContact O-CG 3.49Å; R98-K102 PolarHBondContact O-N 3.43Å; R98-E275 WeakPolarHBondContact CG-OE1 3.06Å; R98-E275 IonicContact CZ-OE1 3.23Å; R98-E275 IonicContact NE-OE1 3.38Å; R98-E275 PolarHBondContact NE-OE1 3.25Å; R98-E275 IonicContact NH2-OE1 2.74Å; R98-E275 PolarHBondContact NH2-OE1 2.96Å
99E97.4Very high94.9Very high132 Ų13256.9 Ų56.962%0.61733%0.333SS*.Hα-helixtrans-64.7-42.6-179.5-67.260.2-131.400110.6N97 W101 K102 E103N97-E99 PolarHBondContact O-N 3.37Å; E99-W101 VanDerWaalsContact C-N 3.34Å; E99-W101 PolarHBondContact O-N 3.23Å; E99-K102 WeakPolarHBondContact O-CB 3.39Å; E99-K102 PolarHBondContact O-N 2.87Å; E99-E103 PolarHBondContact O-N 3.29Å
100L96.6Very high95.9Very high41 Ų4151.1 Ų51.122%0.21530%0.296CS..Hα-helixtrans-63.6-42.9174.4-175.564.8000110.6N97 K102 E103 F104 F153 P154 A296N97-L100 HydrophobicContact CB-CB 4.35Å; N97-L100 WeakPolarHBondContact O-CB 3.39Å; N97-L100 PolarHBondContact O-N 2.94Å; N97-L100 VanDerWaalsContact O-N 3.16Å; L100-K102 VanDerWaalsContact C-N 3.33Å; L100-K102 PolarHBondContact O-N 3.46Å; L100-E103 WeakPolarHBondContact O-CB 3.23Å; L100-E103 PolarHBondContact O-N 2.81Å; L100-F104 HydrophobicContact CD1-CD2 4.13Å; L100-F104 HydrophobicContact CD1-CE2 3.74Å; L100-F104 HydrophobicContact CD2-CE2 4.48Å; L100-F104 HydrophobicContact CG-CD2 4.06Å; L100-F104 HydrophobicContact CG-CE2 3.92Å; L100-F104 VanDerWaalsContact O-CD2 3.27Å; L100-F104 WeakPolarHBondContact O-CD2 3.48Å; L100-F104 PolarHBondContact O-N 3.4Å; L100-F153 HydrophobicContact CD2-CZ 4.4Å; L100-P154 HydrophobicContact CD2-CB 4.04Å; L100-P154 HydrophobicContact CD2-CG 3.81Å; L100-P154 HydrophobicContact CG-CG 3.86Å; L100-A296 HydrophobicContact CD1-CB 3.87Å; L100-A296 HydrophobicContact CD2-CB 4.49Å
101W97.9Very high96.5Very high0 Ų048 Ų480%026%0.263CS..Hα-helixtrans-60.3-42.1174.3-83107.3000112.4L95 N97 R98 E99 E103 F104 S105 T109 M111 P154 E275 T276L95-W101 HydrophobicContact CD2-CB 4.16Å; L95-W101 HydrophobicContact CD2-CG 3.95Å; N97-W101 PolarHBondContact O-N 3.23Å; R98-W101 WeakPolarHBondContact O-CB 3.46Å; R98-W101 PolarHBondContact O-N 3.42Å; E99-W101 VanDerWaalsContact C-N 3.34Å; E99-W101 PolarHBondContact O-N 3.23Å; W101-E103 VanDerWaalsContact C-N 3.34Å; W101-E103 PolarHBondContact O-N 3.3Å; W101-F104 PolarHBondContact O-N 3.43Å; W101-S105 VanDerWaalsContact O-CB 3.23Å; W101-S105 WeakPolarHBondContact O-CB 3.38Å; W101-S105 PolarHBondContact O-N 3.12Å; W101-T109 HydrophobicContact CZ3-CG2 4.32Å; W101-M111 HydrophobicContact CH2-CE 3.6Å; W101-M111 HydrophobicContact CZ3-CE 3.79Å; W101-P154 HydrophobicContact CD2-CB 4.16Å; W101-P154 HydrophobicContact CD2-CG 4.2Å; W101-P154 HydrophobicContact CE3-CG 4.47Å; W101-P154 WeakPolarHBondContact CH2-O 3.42Å; W101-P154 HydrophobicContact CZ2-CB 3.93Å; W101-P154 WeakPolarHBondContact CZ2-O 3.47Å; W101-E275 HydrophobicContact CB-CB 4.48Å; W101-E275 HydrophobicContact CB-CG 4.04Å; W101-T276 HydrophobicContact CD2-CG2 3.84Å; W101-T276 HydrophobicContact CE3-CG2 3.97Å; W101-T276 HydrophobicContact CG-CG2 4.3Å; W101-T276 HydrophobicContact CH2-CG2 4.33Å; W101-T276 HydrophobicContact CZ2-CG2 4.22Å; W101-T276 HydrophobicContact CZ3-CG2 4.21Å
102K97.8Very high96.6Very high101 Ų10147.9 Ų47.944%0.43926%0.261SS..Hα-helixtrans-62.5-39.9175.3-74.6175.3176.41770112.1R98 E99 L100 S105 S106 E275R98-K102 WeakPolarHBondContact O-CG 3.49Å; R98-K102 PolarHBondContact O-N 3.43Å; E99-K102 WeakPolarHBondContact O-CB 3.39Å; E99-K102 PolarHBondContact O-N 2.87Å; L100-K102 VanDerWaalsContact C-N 3.33Å; L100-K102 PolarHBondContact O-N 3.46Å; K102-S105 PolarHBondContact O-N 3.12Å; K102-S106 WeakPolarHBondContact O-CB 3.21Å; K102-S106 PolarHBondContact O-N 2.95Å; K102-E275 HydrophobicContact CG-CB 4.42Å
103E97.9Very high96.6Very high94 Ų9445 Ų4544%0.43924%0.241SC..Hα-helixtrans-60.1-50.5175.3-171.3-179.7-169.400111E99 L100 W101 S105 S106 L292E99-E103 PolarHBondContact O-N 3.29Å; L100-E103 WeakPolarHBondContact O-CB 3.23Å; L100-E103 PolarHBondContact O-N 2.81Å; W101-E103 VanDerWaalsContact C-N 3.34Å; W101-E103 PolarHBondContact O-N 3.3Å; E103-S105 VanDerWaalsContact C-N 3.34Å; E103-S105 PolarHBondContact O-N 3.37Å; E103-S106 PolarHBondContact O-N 3.25Å; E103-S106 PolarHBondContact O-OG 3.32Å; E103-L292 HydrophobicContact CG-CD1 4.2Å; E103-L292 HydrophobicContact CG-CD2 3.97Å; E103-L292 WeakPolarHBondContact OE1-CD2 3.39Å
104F97.5Very high95.9Very high0 Ų045.5 Ų45.50%025%0.245CC..Hα-helixtrans-60.6-42.6174-82.5-77.4000112.5L100 W101 S106 V107 G108 T109 F153 P154 I289 L292 K293L100-F104 HydrophobicContact CD1-CD2 4.13Å; L100-F104 HydrophobicContact CD1-CE2 3.74Å; L100-F104 HydrophobicContact CD2-CE2 4.48Å; L100-F104 HydrophobicContact CG-CD2 4.06Å; L100-F104 HydrophobicContact CG-CE2 3.92Å; L100-F104 VanDerWaalsContact O-CD2 3.27Å; L100-F104 WeakPolarHBondContact O-CD2 3.48Å; L100-F104 PolarHBondContact O-N 3.4Å; W101-F104 PolarHBondContact O-N 3.43Å; F104-S106 VanDerWaalsContact C-N 3.35Å; F104-S106 PolarHBondContact O-N 3.13Å; F104-V107 PolarHBondContact O-N 3.39Å; F104-G108 CarbonylContact O-C 3.57Å; F104-G108 PolarHBondContact O-N 3.3Å; F104-G108 VanDerWaalsContact O-N 3.12Å; F104-T109 VanDerWaalsContact C-OG1 3.22Å; F104-T109 HydrophobicContact CB-CG2 4.19Å; F104-T109 PolarHBondContact O-N 3.21Å; F104-T109 VanDerWaalsContact O-N 3.12Å; F104-T109 PolarHBondContact O-OG1 3.29Å; F104-F153 HydrophobicContact CE2-CD1 4.32Å; F104-F153 AromaticContact CE2-CE1 3.86Å; F104-F153 HydrophobicContact CE2-CE1 3.86Å; F104-F153 HydrophobicContact CZ-CD1 4.02Å; F104-F153 AromaticContact CZ-CE1 3.75Å; F104-F153 HydrophobicContact CZ-CE1 3.75Å; F104-P154 HydrophobicContact CD2-CG 3.39Å; F104-P154 HydrophobicContact CE2-CG 3.56Å; F104-P154 HydrophobicContact CG-CG 4.28Å; F104-I289 HydrophobicContact CD1-CD1 4.05Å; F104-I289 HydrophobicContact CE1-CG2 4.42Å; F104-L292 HydrophobicContact CD1-CB 4.36Å; F104-L292 HydrophobicContact CD1-CD1 4.38Å; F104-L292 HydrophobicContact CE1-CB 3.64Å; F104-L292 HydrophobicContact CE1-CD1 4.47Å; F104-L292 HydrophobicContact CZ-CB 3.77Å; F104-K293 HydrophobicContact CE1-CD 3.64Å; F104-K293 HydrophobicContact CE1-CG 3.94Å; F104-K293 HydrophobicContact CZ-CD 3.93Å; F104-K293 HydrophobicContact CZ-CG 4.35Å
105S97.5Very high94.5Very high48 Ų4849.5 Ų49.534%0.33625%0.254SS..Hα-helixtrans-62.7-41.1-179-1690000111.8W101 K102 E103 V107 G108 T109W101-S105 VanDerWaalsContact O-CB 3.23Å; W101-S105 WeakPolarHBondContact O-CB 3.38Å; W101-S105 PolarHBondContact O-N 3.12Å; K102-S105 PolarHBondContact O-N 3.12Å; E103-S105 VanDerWaalsContact C-N 3.34Å; E103-S105 PolarHBondContact O-N 3.37Å; S105-V107 PolarHBondContact O-N 3.08Å; S105-G108 PolarHBondContact O-N 3.18Å; S105-G108 VanDerWaalsContact O-N 3.08Å; S105-T109 WeakPolarHBondContact CA-OG1 3.47Å; S105-T109 PolarHBondContact N-OG1 3.49Å
106S97.3Very high92.3Very high98 Ų9849.7 Ų49.769%0.68526%0.258SS*.Hα-helixtrans-61.1-28.4180740000113.6K102 E103 F104K102-S106 WeakPolarHBondContact O-CB 3.21Å; K102-S106 PolarHBondContact O-N 2.95Å; E103-S106 PolarHBondContact O-N 3.25Å; E103-S106 PolarHBondContact O-OG 3.32Å; F104-S106 VanDerWaalsContact C-N 3.35Å; F104-S106 PolarHBondContact O-N 3.13Å
107V95.1Very high89.6Confident34 Ų3449.6 Ų49.621%0.20627%0.271CS..Hα-helixtrans-96.2-13.6-179.9-179.60000112.1F104 S105 N286 Q288 I289 L292F104-V107 PolarHBondContact O-N 3.39Å; S105-V107 PolarHBondContact O-N 3.08Å; V107-N286 WeakPolarHBondContact CG1-ND2 3.38Å; V107-N286 PolarHBondContact O-ND2 3.4Å; V107-Q288 HydrophobicContact CG1-CB 3.59Å; V107-I289 HydrophobicContact CB-CD1 3.82Å; V107-I289 HydrophobicContact CG1-CD1 3.65Å; V107-I289 HydrophobicContact CG1-CG1 3.88Å; V107-L292 HydrophobicContact CB-CD1 4.42Å; V107-L292 HydrophobicContact CG2-CD1 4.05Å
108G95.8Very high86.6Confident24 Ų2448.7 Ų48.725%0.24727%0.272CS..  trans91.385.1-174.200000111.7F104 S105 E110 I289F104-G108 CarbonylContact O-C 3.57Å; F104-G108 PolarHBondContact O-N 3.3Å; F104-G108 VanDerWaalsContact O-N 3.12Å; S105-G108 PolarHBondContact O-N 3.18Å; S105-G108 VanDerWaalsContact O-N 3.08Å; G108-E110 PolarHBondContact O-N 3.33Å; G108-I289 WeakPolarHBondContact O-CD1 3.5Å
109T97.9Very high83.7Confident4 Ų449.5 Ų49.53%0.02530%0.295CS..  trans-51.1130.6-177.2-49.70000112.8W101 F104 S105 M111 T277 F278 I279W101-T109 HydrophobicContact CZ3-CG2 4.32Å; F104-T109 VanDerWaalsContact C-OG1 3.22Å; F104-T109 HydrophobicContact CB-CG2 4.19Å; F104-T109 PolarHBondContact O-N 3.21Å; F104-T109 VanDerWaalsContact O-N 3.12Å; F104-T109 PolarHBondContact O-OG1 3.29Å; S105-T109 WeakPolarHBondContact CA-OG1 3.47Å; S105-T109 PolarHBondContact N-OG1 3.49Å; T109-M111 HydrophobicContact CG2-CE 3.85Å; T109-T277 WeakPolarHBondContact CB-O 3.29Å; T109-T277 PolarHBondContact OG1-O 3.38Å; T109-F278 HydrophobicContact CG2-CB 3.71Å; T109-F278 CarbonylContact O-C 3.56Å; T109-F278 VanDerWaalsContact O-CA 3.28Å; T109-F278 WeakPolarHBondContact O-CA 3.33Å; T109-F278 WeakPolarHBondContact O-CB 3.36Å; T109-I279 PolarHBondContact O-N 2.86Å
110E97.5Very high80.9Confident0 Ų045.9 Ų45.90%029%0.293CS..EExtended strand (participates in β ladder)trans-117.3139173-59.5175.7-170.200111.5G108 W190 I279 V281 Y284 Q285 N286 I289 K293G108-E110 PolarHBondContact O-N 3.33Å; E110-W190 HydrophobicContact CG-CZ2 4.03Å; E110-W190 WeakPolarHBondContact OE1-CZ2 3.35Å; E110-I279 WeakPolarHBondContact CA-O 3.28Å; E110-V281 HydrophobicContact CB-CG2 3.98Å; E110-V281 HydrophobicContact CG-CG1 4.48Å; E110-Y284 HydrophobicContact CB-CD1 4.01Å; E110-Y284 HydrophobicContact CB-CE1 4.32Å; E110-Y284 WeakPolarHBondContact OE2-CA 3.12Å; E110-Y284 WeakPolarHBondContact OE2-CD1 3.27Å; E110-Q285 PolarHBondContact OE2-N 2.56Å; E110-N286 VanDerWaalsContact OE1-CB 3.28Å; E110-N286 WeakPolarHBondContact OE1-CB 2.96Å; E110-N286 PolarHBondContact OE1-N 3.17Å; E110-I289 HydrophobicContact CB-CG2 4.09Å; E110-I289 HydrophobicContact CG-CG1 4.3Å; E110-I289 HydrophobicContact CG-CG2 4.46Å; E110-K293 WeakPolarHBondContact O-CE 3.47Å; E110-K293 PolarHBondContact O-NZ 3.09Å
111M96.5Very high78Confident2 Ų250.3 Ų50.31%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-122.1128175.3-63.1-64.1-17600111W101 T109 M152 F153 L229 F278 I279 S280 V281W101-M111 HydrophobicContact CH2-CE 3.6Å; W101-M111 HydrophobicContact CZ3-CE 3.79Å; T109-M111 HydrophobicContact CG2-CE 3.85Å; M111-M152 HydrophobicContact CE-CB 4.33Å; M111-M152 HydrophobicContact SD-CB 4.22Å; M111-M152 HydrophobicContact SD-CG 4.44Å; M111-F153 WeakPolarHBondContact CE-O 3.4Å; M111-F153 VanDerWaalsContact SD-O 3.35Å; M111-L229 HydrophobicContact CB-CD1 3.85Å; M111-L229 HydrophobicContact CG-CD1 4.45Å; M111-F278 HydrophobicContact CB-CD2 3.49Å; M111-F278 VanDerWaalsContact CB-CD2 3.49Å; M111-F278 HydrophobicContact CB-CE2 3.68Å; M111-F278 HydrophobicContact CB-CG 4.13Å; M111-F278 HydrophobicContact CB-CZ 4.45Å; M111-F278 HydrophobicContact CG-CB 3.82Å; M111-F278 HydrophobicContact CG-CD1 3.92Å; M111-F278 HydrophobicContact CG-CD2 3.31Å; M111-F278 HydrophobicContact CG-CE1 4.3Å; M111-F278 HydrophobicContact CG-CE2 3.76Å; M111-F278 HydrophobicContact CG-CG 3.4Å; M111-F278 VanDerWaalsContact CG-CG 3.4Å; M111-F278 HydrophobicContact CG-CZ 4.23Å; M111-I279 PolarHBondContact N-O 2.82Å; M111-S280 CarbonylContact O-C 3.59Å; M111-S280 WeakPolarHBondContact O-CA 3.22Å; M111-V281 PolarHBondContact O-N 2.85Å
112I93.9Very high75.3Confident21 Ų2153.6 Ų53.611%0.10833%0.334CS..EExtended strand (participates in β ladder)trans-75.9130.7179-55.6-77.5000109.7R150 V281 Y284I112-R150 HydrophobicContact CB-CB 4.28Å; I112-R150 HydrophobicContact CB-CG 4.04Å; I112-R150 HydrophobicContact CG2-CB 4.37Å; I112-R150 HydrophobicContact CG2-CG 3.71Å; I112-R150 VanDerWaalsContact O-CB 3.26Å; I112-R150 WeakPolarHBondContact O-CB 3.5Å; I112-V281 CarbonylContact C-O 3.5Å; I112-V281 WeakPolarHBondContact CA-O 3.45Å; I112-V281 HydrophobicContact CD1-CG2 3.9Å; I112-Y284 HydrophobicContact CD1-CD1 3.9Å; I112-Y284 HydrophobicContact CD1-CD2 4.07Å; I112-Y284 HydrophobicContact CD1-CE1 3.88Å; I112-Y284 HydrophobicContact CD1-CE2 4.06Å; I112-Y284 HydrophobicContact CD1-CG 3.98Å; I112-Y284 HydrophobicContact CG1-CD1 4.27Å; I112-Y284 HydrophobicContact CG1-CD2 4.49Å; I112-Y284 HydrophobicContact CG1-CE1 3.72Å; I112-Y284 HydrophobicContact CG1-CE2 3.98Å
113I91.8Very high72.7Confident1 Ų152 Ų521%0.00533%0.333CS..  trans-112.3147.916968.3-177.5000109.7L229 N231 L242 V281 T282I113-L229 HydrophobicContact CB-CB 4.48Å; I113-L229 HydrophobicContact CG2-CB 3.71Å; I113-L229 HydrophobicContact CG2-CD1 4.37Å; I113-N231 HydrophobicContact CD1-CB 3.6Å; I113-N231 HydrophobicContact CG1-CB 3.99Å; I113-L242 WeakPolarHBondContact CD1-O 3.38Å; I113-L242 HydrophobicContact CG2-CB 4.5Å; I113-L242 HydrophobicContact CG2-CD1 4.42Å; I113-V281 PolarHBondContact N-O 2.82Å; I113-T282 HydrophobicContact CG1-CG2 4.26Å
114T81.6Confident70.3Confident21 Ų2151.3 Ų51.313%0.12934%0.335CS..BIsolated β-bridgetrans-123.1155.7-179.650.30000111.7A116 L148 H149 R150 T230 N231T114-A116 PolarHBondContact O-N 3.38Å; T114-L148 VanDerWaalsContact CB-O 3.28Å; T114-L148 WeakPolarHBondContact CB-O 3.33Å; T114-L148 PolarHBondContact OG1-O 3.07Å; T114-H149 VanDerWaalsContact OG1-CA 3.31Å; T114-H149 WeakPolarHBondContact OG1-CA 2.97Å; T114-R150 HydrophobicContact CG2-CB 4.45Å; T114-R150 HydrophobicContact CG2-CG 3.58Å; T114-T230 VanDerWaalsContact O-CA 3.32Å; T114-T230 WeakPolarHBondContact O-CA 3.44Å; T114-T230 PolarHBondContact O-OG1 3.39Å; T114-T230 VanDerWaalsContact O-OG1 3.11Å; T114-N231 PolarHBondContact O-N 2.93Å; T114-N231 PolarHBondContact O-OD1 2.76Å
115K67.6Low67.5Low146 Ų14656.3 Ų56.364%0.63536%0.36SS*.  trans-81.1113.8170.9-168.2177.8177.7-1800109.1G117 N231K115-G117 PolarHBondContact O-N 2.97Å; K115-G117 VanDerWaalsContact O-N 3.17Å; K115-N231 WeakPolarHBondContact CA-OD1 3.22Å; K115-N231 VanDerWaalsContact CB-OD1 3.27Å; K115-N231 WeakPolarHBondContact CB-OD1 3.46Å; K115-N231 PolarHBondContact N-OD1 3.47Å; K115-N231 VanDerWaalsContact N-OD1 3.17Å
116A51.9Low64.7Low20 Ų2056 Ų5617%0.16536%0.357CS..SBendtrans-67.6106.8162.700000107.6T114T114-A116 PolarHBondContact O-N 3.38Å
117G39.8Very low61.9Low51 Ų5160.4 Ų60.453%0.52636%0.359SS..  trans128.779.5172.200000115.5K115K115-G117 PolarHBondContact O-N 2.97Å; K115-G117 VanDerWaalsContact O-N 3.17Å
118S31.9Very low59.3Low71 Ų7165 Ų6550%0.49737%0.373SS..  trans-162.6109.9132.150.90000107.5G120S118-G120 PolarHBondContact O-N 2.76Å; S118-G120 VanDerWaalsContact O-N 3.08Å
119S37.2Very low56.7Low130 Ų13069.2 Ų69.291%0.90938%0.382SS*.SBendtrans-52.4110.9158.446.20000108
120G38.1Very low53.9Low57 Ų5773.5 Ų73.559%0.58841%0.411SS*.SBendtrans100.4130.7-178.900000113.3S118S118-G120 PolarHBondContact O-N 2.76Å; S118-G120 VanDerWaalsContact O-N 3.08Å
121E36Very low50.7Low133 Ų13385 Ų8562%0.62145%0.454SS*.  trans80.8108.4173.6-71.2-66.1128.500118.6V123E121-V123 VanDerWaalsContact C-N 3.34Å; E121-V123 HydrophobicContact CB-CG2 4.01Å; E121-V123 PolarHBondContact O-N 2.82Å
122P40Very low47.8Very low70 Ų7088.1 Ų88.146%0.45548%0.48SS..  trans-78.279171.833.1-31.6000110.5V124P122-V124 PolarHBondContact O-N 3.49Å
123V44.8Very low45.1Very low66 Ų6692.7 Ų92.740%0.450%0.501SS..Hα-helixtrans-72.9-23-172.71790000113.8E121E121-V123 VanDerWaalsContact C-N 3.34Å; E121-V123 HydrophobicContact CB-CG2 4.01Å; E121-V123 PolarHBondContact O-N 2.82Å
124V46.3Very low42.3Very low80 Ų8098.6 Ų98.649%0.48554%0.54SS..Hα-helixtrans-98.3-22.5-162.2-171.50000114.9P122 T282P122-V124 PolarHBondContact O-N 3.49Å; V124-T282 WeakPolarHBondContact CG1-O 3.37Å
125M38.6Very low40.3Very low106 Ų106103.9 Ų103.952%0.52256%0.557SS.*Hα-helixtrans-88.5-18.1167-103.6175.9171.300112.7W129 R150M125-W129 WeakPolarHBondContact O-CB 3.47Å; M125-R150 PolarHBondContact SD-NH2 3.32Å
126S39.4Very low38.6Very low41 Ų41101.8 Ų101.829%0.28756%0.558SS.*Hα-helixtrans-80.1-27.2-175.7-162.60000113.6C130S126-C130 PolarHBondContact O-N 3.1Å
127R37.7Very low37.9Very low190 Ų190108.3 Ų108.372%0.71760%0.596SS**Hα-helixtrans-80.7-38.3-175.7-71.9-170-175.2-152.72.2114.2W129R127-W129 VanDerWaalsContact C-N 3.29Å; R127-W129 PolarHBondContact O-N 3.38Å
128Y41Very low37.9Very low131 Ų131109.4 Ų109.451%0.51461%0.607SS.*Hα-helixtrans-69.1-29.2172.4-90.3-98.6000112.3A283 Y284Y128-A283 HydrophobicContact CD2-CB 3.61Å; Y128-A283 HydrophobicContact CE2-CB 3.12Å; Y128-Y284 PolarHBondContact OH-O 2.97Å
129W40.4Very low38.1Very low113 Ų113110.4 Ų110.443%0.42861%0.614SS.*Hα-helixtrans-77.9-28.7-178.7-162.8-103.6000113.9M125 R127 W135 F303M125-W129 WeakPolarHBondContact O-CB 3.47Å; R127-W129 VanDerWaalsContact C-N 3.29Å; R127-W129 PolarHBondContact O-N 3.38Å; W129-W135 AromaticContact CD1-CE2 3.74Å; W129-W135 AromaticContact CD1-NE1 3.14Å; W129-W135 HydrophobicContact CD2-CZ2 4.5Å; W129-W135 AromaticContact CE2-CE2 3.78Å; W129-W135 AromaticContact CE2-CZ2 3.27Å; W129-W135 AromaticContact CE2-NE1 3.83Å; W129-W135 HydrophobicContact CH2-CZ2 4.43Å; W129-W135 AromaticContact CZ2-CH2 3.89Å; W129-W135 HydrophobicContact CZ2-CH2 3.89Å; W129-W135 AromaticContact CZ2-CZ2 3.25Å; W129-W135 HydrophobicContact CZ2-CZ2 3.25Å; W129-W135 AromaticContact NE1-CE2 3.02Å; W129-W135 AromaticContact NE1-CH2 4Å; W129-W135 AromaticContact NE1-CZ2 2.96Å; W129-W135 AromaticContact NE1-NE1 2.95Å; W129-F303 AromaticContact CH2-CD1 3.87Å; W129-F303 HydrophobicContact CH2-CD1 3.87Å; W129-F303 AromaticContact CH2-CE1 3.55Å; W129-F303 HydrophobicContact CH2-CE1 3.55Å; W129-F303 HydrophobicContact CZ2-CE1 4.43Å; W129-F303 AromaticContact CZ3-CD1 3.98Å; W129-F303 HydrophobicContact CZ3-CD1 3.98Å; W129-F303 AromaticContact CZ3-CE1 3.67Å; W129-F303 HydrophobicContact CZ3-CE1 3.67Å
130C40Very low37.9Very low93 Ų93109.9 Ų109.963%0.62861%0.611SS**Hα-helixtrans-76.7-26.3176.5-105.30000114S126S126-C130 PolarHBondContact O-N 3.1Å
131W29.8Very low37.9Very low242 Ų242115.1 Ų115.192%0.91761%0.613SS**Hα-helixtrans-90.9-28-174.8-126.677.4000113.3
132A36.2Very low37.8Very low67 Ų67113.9 Ų113.955%0.55462%0.616SS**Hα-helixtrans-87.4-22.2-178.200000114.3
133H36.7Very low37.7Very low118 Ų118118.7 Ų118.755%0.54664%0.637SS.*  trans-149.7115.7178.6-64-67.3000111.2W135H133-W135 PolarHBondContact O-N 3.37Å
134P33.5Very low37.2Very low125 Ų125122.8 Ų122.881%0.81266%0.656SS**PPolyproline II helixtrans-61.6120.3167-15.828.5000108.9
135W38.5Very low36.5Very low132 Ų132124.2 Ų124.250%0.567%0.669SS.*PPolyproline II helixtrans-77.1134.2172.1-74.376.3000109.2W129 H133 V137W129-W135 AromaticContact CD1-CE2 3.74Å; W129-W135 AromaticContact CD1-NE1 3.14Å; W129-W135 HydrophobicContact CD2-CZ2 4.5Å; W129-W135 AromaticContact CE2-CE2 3.78Å; W129-W135 AromaticContact CE2-CZ2 3.27Å; W129-W135 AromaticContact CE2-NE1 3.83Å; W129-W135 HydrophobicContact CH2-CZ2 4.43Å; W129-W135 AromaticContact CZ2-CH2 3.89Å; W129-W135 HydrophobicContact CZ2-CH2 3.89Å; W129-W135 AromaticContact CZ2-CZ2 3.25Å; W129-W135 HydrophobicContact CZ2-CZ2 3.25Å; W129-W135 AromaticContact NE1-CE2 3.02Å; W129-W135 AromaticContact NE1-CH2 4Å; W129-W135 AromaticContact NE1-CZ2 2.96Å; W129-W135 AromaticContact NE1-NE1 2.95Å; H133-W135 PolarHBondContact O-N 3.37Å; W135-V137 PolarHBondContact O-N 3.35Å
136P33.4Very low36.7Very low101 Ų101121.9 Ų121.966%0.65666%0.662SS**PPolyproline II helixtrans-57.6132.5168.4-18.729.7000109.3G138P136-G138 PolarHBondContact O-N 2.84Å; P136-G138 VanDerWaalsContact O-N 3.11Å
137V36.8Very low36.7Very low157 Ų157125 Ų12595%0.95268%0.681SS**THydrogen-bonded Turntrans-52.8116.4173.5177.40000108.4W135W135-V137 PolarHBondContact O-N 3.35Å
138G40.3Very low37.2Very low74 Ų74121 Ų12176%0.76367%0.674SS**THydrogen-bonded Turntrans126.19.5168.200000119.1P136P136-G138 PolarHBondContact O-N 2.84Å; P136-G138 VanDerWaalsContact O-N 3.11Å
139S34.9Very low38Very low93 Ų93116 Ų11665%0.6566%0.655SS**PPolyproline II helixtrans-103.1117.2174.2-71.70000113.1R141S139-R141 PolarHBondContact O-N 3.43Å
140S33.5Very low39.9Very low119 Ų119114.3 Ų114.383%0.83265%0.648SS**PPolyproline II helixtrans-55126.6178.1-38.90000112.1
141R38.2Very low42.3Very low166 Ų166116.5 Ų116.563%0.62664%0.644SS**PPolyproline II helixtrans-59.8126.5175.1-78.7176.3154.3-155.5-5110.5S139 L143S139-R141 PolarHBondContact O-N 3.43Å; R141-L143 PolarHBondContact O-N 3.19Å
142P33.9Very low45.2Very low107 Ų107105.4 Ų105.470%0.69560%0.602SS**  trans-72111.2161.119.2-13.8000108.8L144P142-L144 PolarHBondContact O-N 3.26Å
143L36.8Very low47.9Very low171 Ų171103.9 Ų103.990%0.89558%0.583SS**  trans-68.776.7169.2-77.4159.2000109.6R141R141-L143 PolarHBondContact O-N 3.19Å
144L35.3Very low50.8Low153 Ų15398.5 Ų98.580%0.80156%0.559SS**  trans-114.492.5161.8-81.3158.1000106.4P142 P146P142-L144 PolarHBondContact O-N 3.26Å; L144-P146 WeakPolarHBondContact O-CD 3.35Å
145S32.5Very low53.6Low109 Ų10993.8 Ų93.876%0.76253%0.53SS*.  trans-64.4110168.8310000108.4
146P40.8Very low56.4Low58 Ų5887.6 Ų87.638%0.37751%0.507SS..  trans-67.2147.8171.628.7-31.3000108.7L144 L148L144-P146 WeakPolarHBondContact O-CD 3.35Å; P146-L148 PolarHBondContact O-N 3.24Å
147P40.8Very low59.4Low105 Ų10587.2 Ų87.268%0.68249%0.493SS*.  trans-54.3137.9177.920.8-31.1000110.3H149P147-H149 PolarHBondContact O-N 2.86Å
148L48.5Very low62.3Low106 Ų10679.8 Ų79.856%0.55545%0.447SS*.SBendtrans-60.53.6-171.1-67.6161000115.3T114 P146T114-L148 VanDerWaalsContact CB-O 3.28Å; T114-L148 WeakPolarHBondContact CB-O 3.33Å; T114-L148 PolarHBondContact OG1-O 3.07Å; P146-L148 PolarHBondContact O-N 3.24Å
149H57.6Low65.1Low26 Ų2677.6 Ų77.612%0.1242%0.42CS..SBendtrans-134.4131.2-176.1-54.393.9000110.7T114 P147 K228 H239T114-H149 VanDerWaalsContact OG1-CA 3.31Å; T114-H149 WeakPolarHBondContact OG1-CA 2.97Å; P147-H149 PolarHBondContact O-N 2.86Å; H149-K228 HydrophobicContact CB-CB 4.08Å; H149-K228 HydrophobicContact CB-CD 3.55Å; H149-K228 HydrophobicContact CB-CG 3.82Å; H149-H239 AromaticContact CD2-CE1 3.33Å; H149-H239 PolarHBondContact CD2-CE1 2.83Å; H149-H239 AromaticContact CD2-ND1 3.36Å; H149-H239 PolarHBondContact CD2-ND1 3.18Å; H149-H239 AromaticContact CE1-CE1 3.58Å; H149-H239 AromaticContact CG-CE1 3.63Å; H149-H239 AromaticContact ND1-CE1 3.78Å; H149-H239 AromaticContact NE2-CE1 3.3Å; H149-H239 PolarHBondContact NE2-CE1 3.35Å; H149-H239 VanDerWaalsContact NE2-CE1 3.3Å; H149-H239 AromaticContact NE2-ND1 3.47Å; H149-H239 PolarHBondContact NE2-ND1 3.02Å
150R79.9Confident68Low78 Ų7873.4 Ų73.429%0.29439%0.391SS..EExtended strand (participates in β ladder)trans-93.2130.3-179-70-80.5-173-172.4-4110.6I112 T114 M125 L229I112-R150 HydrophobicContact CB-CB 4.28Å; I112-R150 HydrophobicContact CB-CG 4.04Å; I112-R150 HydrophobicContact CG2-CB 4.37Å; I112-R150 HydrophobicContact CG2-CG 3.71Å; I112-R150 VanDerWaalsContact O-CB 3.26Å; I112-R150 WeakPolarHBondContact O-CB 3.5Å; T114-R150 HydrophobicContact CG2-CB 4.45Å; T114-R150 HydrophobicContact CG2-CG 3.58Å; M125-R150 PolarHBondContact SD-NH2 3.32Å; R150-L229 PolarHBondContact O-N 3.41Å
151R89.3Confident71Confident140 Ų14071.5 Ų71.553%0.52837%0.374SS..EExtended strand (participates in β ladder)trans-81.4150.1170.3-67.3171.1176.8-178.62.5109.6H225 V227 K228R151-H225 VanDerWaalsContact CD-O 3.24Å; R151-H225 WeakPolarHBondContact CD-O 3.45Å; R151-H225 WeakPolarHBondContact CG-O 3.21Å; R151-V227 WeakPolarHBondContact CA-O 3.37Å; R151-K228 HydrophobicContact CG-CG 4.47Å
152M91.8Very high73.7Confident9 Ų965.7 Ų65.74%0.04437%0.366CS..PPolyproline II helixtrans-62.2143172.1-65.3-170.8-63.200111M111 C156 L173 V227 L229M111-M152 HydrophobicContact CE-CB 4.33Å; M111-M152 HydrophobicContact SD-CB 4.22Å; M111-M152 HydrophobicContact SD-CG 4.44Å; M152-C156 HydrophobicContact CE-CB 4.35Å; M152-L173 HydrophobicContact CE-CD2 3.74Å; M152-V227 HydrophobicContact CE-CB 3.98Å; M152-V227 HydrophobicContact CE-CG1 3.9Å; M152-V227 HydrophobicContact CE-CG2 4.49Å; M152-L229 HydrophobicContact CG-CD1 3.81Å; M152-L229 HydrophobicContact CG-CD2 4.39Å; M152-L229 HydrophobicContact CG-CG 4.1Å; M152-L229 HydrophobicContact SD-CD1 4.45Å
153F93.8Very high76.6Confident35 Ų3561 Ų6115%0.15434%0.335CS..SBendtrans-141.6129.4166.8-175.7-84.6000109L100 F104 M111 K293 A296 N297L100-F153 HydrophobicContact CD2-CZ 4.4Å; F104-F153 HydrophobicContact CE2-CD1 4.32Å; F104-F153 AromaticContact CE2-CE1 3.86Å; F104-F153 HydrophobicContact CE2-CE1 3.86Å; F104-F153 HydrophobicContact CZ-CD1 4.02Å; F104-F153 AromaticContact CZ-CE1 3.75Å; F104-F153 HydrophobicContact CZ-CE1 3.75Å; M111-F153 WeakPolarHBondContact CE-O 3.4Å; M111-F153 VanDerWaalsContact SD-O 3.35Å; F153-K293 HydrophobicContact CD1-CD 3.71Å; F153-K293 PolarHBondContact O-NZ 2.9Å; F153-A296 HydrophobicContact CE1-CB 3.88Å; F153-A296 VanDerWaalsContact CZ-C 3.49Å; F153-A296 HydrophobicContact CZ-CB 3.79Å; F153-N297 HydrophobicContact CD1-CB 4.15Å; F153-N297 HydrophobicContact CD2-CB 3.91Å; F153-N297 HydrophobicContact CE1-CB 3.91Å; F153-N297 HydrophobicContact CE2-CB 3.67Å; F153-N297 HydrophobicContact CG-CB 4.16Å; F153-N297 HydrophobicContact CZ-CB 3.67Å
154P95.7Very high79.4Confident5 Ų555.9 Ų55.93%0.03231%0.309CS..SBendcis-56.8154.5-8.3-20.933.5000111.6L100 W101 F104L100-P154 HydrophobicContact CD2-CB 4.04Å; L100-P154 HydrophobicContact CD2-CG 3.81Å; L100-P154 HydrophobicContact CG-CG 3.86Å; W101-P154 HydrophobicContact CD2-CB 4.16Å; W101-P154 HydrophobicContact CD2-CG 4.2Å; W101-P154 HydrophobicContact CE3-CG 4.47Å; W101-P154 WeakPolarHBondContact CH2-O 3.42Å; W101-P154 HydrophobicContact CZ2-CB 3.93Å; W101-P154 WeakPolarHBondContact CZ2-O 3.47Å; F104-P154 HydrophobicContact CD2-CG 3.39Å; F104-P154 HydrophobicContact CE2-CG 3.56Å; F104-P154 HydrophobicContact CG-CG 4.28Å
155A94.2Very high82.3Confident26 Ų2651.6 Ų51.622%0.21529%0.29CS..  trans-76.9138.3175.300000109.2R157 H225A155-R157 PolarHBondContact O-N 3.19Å; A155-R157 VanDerWaalsContact O-N 3.15Å; A155-H225 HydrophobicContact CB-CB 3.85Å
156C95.7Very high85.3Confident2 Ų253.8 Ų53.81%0.01429%0.288CS..  trans-67114.8170.5-610000108.6M152 F224M152-C156 HydrophobicContact CE-CB 4.35Å; C156-F224 HydrophobicContact CB-CB 4.25Å; C156-F224 HydrophobicContact CB-CD2 4.48Å; C156-F224 WeakPolarHBondContact O-CB 3.27Å; C156-F224 PolarHBondContact O-N 3.23Å
157R97.4Very high87.8Confident93 Ų9351.6 Ų51.635%0.35128%0.275SS..EExtended strand (participates in β ladder)trans-130.1133.3177.5-72-177.974.2-167.32.8108E96 A155 V222E96-R157 HydrophobicContact CB-CB 3.7Å; E96-R157 WeakPolarHBondContact CB-O 3.25Å; E96-R157 HydrophobicContact CG-CB 4.08Å; E96-R157 PolarHBondContact N-O 3.36Å; A155-R157 PolarHBondContact O-N 3.19Å; A155-R157 VanDerWaalsContact O-N 3.15Å; R157-V222 CarbonylContact C-O 3.47Å; R157-V222 WeakPolarHBondContact CA-O 3.5Å
158V98.1Very high90.4Very high0 Ų054.2 Ų54.20%027%0.271CS..EExtended strand (participates in β ladder)trans-134.8141.9-177.2-65.50000111.6L93 S94 L95 F171 P221 V222 F224 I252 F273L93-V158 HydrophobicContact CD2-CB 4.47Å; L93-V158 HydrophobicContact CD2-CG2 4.13Å; S94-V158 CarbonylContact O-C 3.49Å; S94-V158 WeakPolarHBondContact O-CA 3.26Å; S94-V158 WeakPolarHBondContact O-CB 3.41Å; L95-V158 HydrophobicContact CD1-CG1 4.34Å; V158-F171 HydrophobicContact CG2-CE1 4.19Å; V158-P221 CarbonylContact O-C 3.5Å; V158-P221 WeakPolarHBondContact O-CA 3.5Å; V158-V222 HydrophobicContact CG2-CB 4.06Å; V158-V222 PolarHBondContact N-O 3.11Å; V158-V222 PolarHBondContact O-N 2.89Å; V158-F224 HydrophobicContact CG2-CE2 4.35Å; V158-I252 HydrophobicContact CB-CD1 4.42Å; V158-I252 HydrophobicContact CG1-CD1 3.42Å; V158-I252 VanDerWaalsContact CG1-CD1 3.42Å; V158-I252 HydrophobicContact CG2-CD1 4.09Å; V158-F273 HydrophobicContact CG1-CE2 3.72Å; V158-F273 HydrophobicContact CG1-CZ 4.13Å
159S98Very high92.6Very high28 Ų2849.7 Ų49.720%0.19625%0.247CC..EExtended strand (participates in β ladder)trans-98.9136.9166.4-72.40000109.3L93 S94 E96 P221L93-S159 CarbonylContact C-O 3.6Å; L93-S159 WeakPolarHBondContact CA-O 3.16Å; S94-S159 PolarHBondContact N-O 3.26Å; S94-S159 PolarHBondContact O-N 3.49Å; S94-S159 WeakPolarHBondContact OG-CB 3.42Å; S94-S159 PolarHBondContact OG-O 3.5Å; E96-S159 WeakPolarHBondContact OE1-CB 3.37Å; E96-S159 PolarHBondContact OE1-OG 3.24Å; S159-P221 WeakPolarHBondContact OG-CG 3.22Å
160V97.1Very high94.4Very high6 Ų649.9 Ų49.94%0.03625%0.249CC..EExtended strand (participates in β ladder)trans-118.6143-178.357.90000110V91 S92 L93 L163 F171 W217 M218V91-V160 HydrophobicContact CG1-CG2 4.17Å; S92-V160 WeakPolarHBondContact O-CA 3.5Å; L93-V160 HydrophobicContact CD1-CB 4.09Å; L93-V160 HydrophobicContact CD1-CG2 3.66Å; L93-V160 HydrophobicContact CG-CB 4.27Å; L93-V160 HydrophobicContact CG-CG2 4.38Å; V160-L163 HydrophobicContact CG1-CD1 4.04Å; V160-L163 HydrophobicContact CG2-CD1 3.78Å; V160-L163 HydrophobicContact CG2-CD2 4.01Å; V160-L163 HydrophobicContact CG2-CG 3.76Å; V160-F171 HydrophobicContact CB-CZ 4.01Å; V160-F171 HydrophobicContact CG1-CE2 4.39Å; V160-F171 HydrophobicContact CG1-CZ 3.86Å; V160-F171 HydrophobicContact CG2-CZ 4.2Å; V160-W217 HydrophobicContact CG1-CB 3.96Å; V160-W217 WeakPolarHBondContact CG1-O 3.14Å; V160-M218 HydrophobicContact CG1-CG 4.22Å; V160-M218 WeakPolarHBondContact O-CG 3.31Å
161T96.5Very high95.2Very high79 Ų7946.1 Ų46.149%0.48524%0.235SC..EExtended strand (participates in β ladder)trans-137.6158.6174.254.10000110.3V91 S92V91-T161 WeakPolarHBondContact CA-O 3.42Å; S92-T161 PolarHBondContact N-O 2.87Å; S92-T161 PolarHBondContact O-N 3.37Å; S92-T161 PolarHBondContact OG-OG1 2.93Å
162G94.4Very high95.5Very high44 Ų4440.8 Ų40.845%0.45422%0.216SC..SBendtrans83.215.2175.800000115.5G90 V91 M218G90-G162 WeakPolarHBondContact O-CA 3.46Å; V91-G162 WeakPolarHBondContact CG2-O 3.26Å; G162-M218 PolarHBondContact N-SD 2.94Å
163L94.9Very high95.8Very high7 Ų740.3 Ų40.34%0.03721%0.214CC..  trans-78.2149.7170.8-55.9-179.5000110.7V91 V160 P165 Y169 W217 M218 L254V91-L163 HydrophobicContact CG1-CD2 3.77Å; V91-L163 HydrophobicContact CG2-CD2 3.89Å; V160-L163 HydrophobicContact CG1-CD1 4.04Å; V160-L163 HydrophobicContact CG2-CD1 3.78Å; V160-L163 HydrophobicContact CG2-CD2 4.01Å; V160-L163 HydrophobicContact CG2-CG 3.76Å; L163-P165 WeakPolarHBondContact O-CD 3.27Å; L163-Y169 HydrophobicContact CB-CD2 4.5Å; L163-Y169 HydrophobicContact CB-CE2 3.91Å; L163-Y169 HydrophobicContact CD1-CD2 4.26Å; L163-Y169 HydrophobicContact CD1-CE2 4.47Å; L163-Y169 HydrophobicContact CD2-CD1 4.33Å; L163-Y169 HydrophobicContact CD2-CE1 4.05Å; L163-Y169 HydrophobicContact CD2-CE2 4.34Å; L163-Y169 HydrophobicContact CG-CE2 4.47Å; L163-W217 HydrophobicContact CD1-CB 3.8Å; L163-W217 HydrophobicContact CD1-CG 4.42Å; L163-M218 HydrophobicContact CB-CE 4Å; L163-M218 HydrophobicContact CB-CG 4.25Å; L163-M218 HydrophobicContact CB-SD 3.89Å; L163-M218 HydrophobicContact CD1-CG 4.18Å; L163-M218 HydrophobicContact CG-CG 4.22Å; L163-M218 HydrophobicContact CG-SD 4.28Å; L163-M218 PolarHBondContact N-SD 2.54Å; L163-M218 VanDerWaalsContact N-SD 3.42Å; L163-M218 WeakPolarHBondContact O-CE 3.41Å; L163-L254 HydrophobicContact CD2-CD1 4.36Å; L163-L254 HydrophobicContact CD2-CD2 3.47Å; L163-L254 VanDerWaalsContact CD2-CD2 3.47Å; L163-L254 HydrophobicContact CD2-CG 4.49Å
164D94.3Very high95.9Very high64 Ų6439.3 Ų39.334%0.34221%0.21SC..  trans-65.7118.4165.8171.9-4.3000108.6E166 A167 Y169 G214 R256D164-E166 PolarHBondContact O-N 3.32Å; D164-E166 VanDerWaalsContact O-N 3.16Å; D164-E166 PolarHBondContact OD1-N 2.86Å; D164-E166 VanDerWaalsContact OD1-N 3.07Å; D164-A167 HydrophobicContact CB-CB 3.79Å; D164-A167 PolarHBondContact O-N 3.23Å; D164-A167 WeakPolarHBondContact OD2-CB 3.32Å; D164-Y169 WeakPolarHBondContact CB-OH 3.45Å; D164-Y169 PolarHBondContact N-OH 3.02Å; D164-G214 WeakPolarHBondContact O-CA 3.39Å; D164-R256 IonicContact OD2-NH2 3.89Å; D164-R256 PolarHBondContact OD2-NH2 2.8Å
165P96.7Very high95.9Very high63 Ų6340 Ų4041%0.40921%0.214SC..SBendtrans-55.5-32.5-175.4-27.936.6000114.4L163 T213 G214 A215 M218L163-P165 WeakPolarHBondContact O-CD 3.27Å; P165-T213 WeakPolarHBondContact O-CB 3.28Å; P165-G214 PolarHBondContact O-N 3.22Å; P165-A215 HydrophobicContact CB-CB 4.12Å; P165-A215 WeakPolarHBondContact O-CB 3.3Å; P165-A215 PolarHBondContact O-N 3.39Å; P165-M218 HydrophobicContact CG-CE 4.37Å
166E96.1Very high95.9Very high156 Ų15640 Ų4073%0.72921%0.21SC*.SBendtrans-94.7-22.7-173.6-61.4-54.3127.900112.8D164D164-E166 PolarHBondContact O-N 3.32Å; D164-E166 VanDerWaalsContact O-N 3.16Å; D164-E166 PolarHBondContact OD1-N 2.86Å; D164-E166 VanDerWaalsContact OD1-N 3.07Å
167A93.7Very high96Very high12 Ų1241.4 Ų41.410%0.09922%0.22CC..SBendtrans-71.4146.6177.500000112.1D164 Y169 T213 G214 R256D164-A167 HydrophobicContact CB-CB 3.79Å; D164-A167 PolarHBondContact O-N 3.23Å; D164-A167 WeakPolarHBondContact OD2-CB 3.32Å; A167-Y169 HydrophobicContact CB-CD2 4.48Å; A167-Y169 HydrophobicContact CB-CE2 3.66Å; A167-Y169 VanDerWaalsContact O-CD2 3.29Å; A167-Y169 WeakPolarHBondContact O-CD2 3.45Å; A167-Y169 WeakPolarHBondContact O-CE2 3.18Å; A167-T213 CarbonylContact O-C 3.58Å; A167-T213 VanDerWaalsContact O-CA 3.24Å; A167-T213 WeakPolarHBondContact O-CA 3.46Å; A167-G214 PolarHBondContact O-N 3.21Å; A167-R256 HydrophobicContact CB-CG 4.46Å
168R95.1Very high95.9Very high159 Ų15939.9 Ų39.960%0.622%0.22SC*.EExtended strand (participates in β ladder)trans-90.8140174.4-68.7-175.71791470.8111.8A212 T213 A257R168-A212 CarbonylContact C-O 3.57Å; R168-A212 WeakPolarHBondContact CA-O 3.42Å; R168-T213 HydrophobicContact CG-CG2 4.32Å; R168-A257 HydrophobicContact CB-CB 3.81Å; R168-A257 WeakPolarHBondContact O-CB 3.41Å; R168-A257 PolarHBondContact O-N 3.16Å
169Y95Very high95.8Very high11 Ų1142 Ų424%0.04323%0.232CC..EExtended strand (participates in β ladder)trans-133.6151.9-179.7-60.7-92.8000111.5L88 L163 D164 A167 P211 A212 W217 L254 V255 R256L88-Y169 HydrophobicContact CD1-CE1 4.42Å; L163-Y169 HydrophobicContact CB-CD2 4.5Å; L163-Y169 HydrophobicContact CB-CE2 3.91Å; L163-Y169 HydrophobicContact CD1-CD2 4.26Å; L163-Y169 HydrophobicContact CD1-CE2 4.47Å; L163-Y169 HydrophobicContact CD2-CD1 4.33Å; L163-Y169 HydrophobicContact CD2-CE1 4.05Å; L163-Y169 HydrophobicContact CD2-CE2 4.34Å; L163-Y169 HydrophobicContact CG-CE2 4.47Å; D164-Y169 WeakPolarHBondContact CB-OH 3.45Å; D164-Y169 PolarHBondContact N-OH 3.02Å; A167-Y169 HydrophobicContact CB-CD2 4.48Å; A167-Y169 HydrophobicContact CB-CE2 3.66Å; A167-Y169 VanDerWaalsContact O-CD2 3.29Å; A167-Y169 WeakPolarHBondContact O-CD2 3.45Å; A167-Y169 WeakPolarHBondContact O-CE2 3.18Å; Y169-P211 WeakPolarHBondContact O-CA 3.32Å; Y169-A212 PolarHBondContact N-O 3.3Å; Y169-A212 PolarHBondContact O-N 3.45Å; Y169-W217 PolarHBondContact O-NE1 3.28Å; Y169-W217 VanDerWaalsContact O-NE1 3.09Å; Y169-L254 HydrophobicContact CD1-CD1 3.87Å; Y169-L254 HydrophobicContact CD1-CG 4.16Å; Y169-L254 HydrophobicContact CG-CD1 4.07Å; Y169-V255 CarbonylContact C-O 3.49Å; Y169-V255 VanDerWaalsContact CA-O 3.23Å; Y169-V255 WeakPolarHBondContact CA-O 3.33Å; Y169-R256 HydrophobicContact CD1-CB 3.99Å; Y169-R256 HydrophobicContact CD1-CG 4.14Å; Y169-R256 HydrophobicContact CE1-CB 3.88Å; Y169-R256 HydrophobicContact CE1-CG 3.79Å
170L95.5Very high95.7Very high30 Ų3043.4 Ų43.416%0.15725%0.25CS..EExtended strand (participates in β ladder)trans-109137.1169.7-59.586.7000109.4L172 P211 L254 V255 A257 L260L170-L172 HydrophobicContact CB-CD1 4.03Å; L170-P211 HydrophobicContact CD1-CB 4.41Å; L170-P211 HydrophobicContact CG-CB 4.25Å; L170-L254 WeakPolarHBondContact O-CA 3.41Å; L170-V255 HydrophobicContact CB-CB 4.49Å; L170-V255 PolarHBondContact N-O 3.47Å; L170-V255 PolarHBondContact O-N 3.06Å; L170-A257 HydrophobicContact CD1-CB 3.91Å; L170-L260 HydrophobicContact CD1-CD1 3.39Å; L170-L260 HydrophobicContact CD2-CD1 4.33Å; L170-L260 HydrophobicContact CG-CD1 4.49Å
171F96.8Very high95.7Very high0 Ų044 Ų440%026%0.255CS..EExtended strand (participates in β ladder)trans-105.8124.8169-92.8-100.2000109.4L93 V158 V160 H207 S210 W217 V222 F224 I252 H253 L254L93-F171 HydrophobicContact CD2-CE1 4Å; V158-F171 HydrophobicContact CG2-CE1 4.19Å; V160-F171 HydrophobicContact CB-CZ 4.01Å; V160-F171 HydrophobicContact CG1-CE2 4.39Å; V160-F171 HydrophobicContact CG1-CZ 3.86Å; V160-F171 HydrophobicContact CG2-CZ 4.2Å; F171-H207 HydrophobicContact CB-CB 3.92Å; F171-H207 WeakPolarHBondContact O-CB 3.16Å; F171-H207 PolarHBondContact O-N 2.86Å; F171-S210 PolarHBondContact N-OG 3.47Å; F171-S210 PolarHBondContact O-OG 2.87Å; F171-W217 HydrophobicContact CB-CH2 4Å; F171-W217 HydrophobicContact CB-CZ2 4.28Å; F171-W217 HydrophobicContact CB-CZ3 4.34Å; F171-W217 AromaticContact CD2-CD2 3.51Å; F171-W217 HydrophobicContact CD2-CD2 3.51Å; F171-W217 AromaticContact CD2-CE2 3.58Å; F171-W217 AromaticContact CD2-CE3 3.77Å; F171-W217 HydrophobicContact CD2-CE3 3.77Å; F171-W217 AromaticContact CD2-CG 3.99Å; F171-W217 HydrophobicContact CD2-CG 3.99Å; F171-W217 HydrophobicContact CD2-CH2 4.07Å; F171-W217 AromaticContact CD2-CZ2 3.87Å; F171-W217 HydrophobicContact CD2-CZ2 3.87Å; F171-W217 HydrophobicContact CD2-CZ3 4.04Å; F171-W217 HydrophobicContact CE2-CB 4Å; F171-W217 AromaticContact CE2-CD2 3.67Å; F171-W217 HydrophobicContact CE2-CD2 3.67Å; F171-W217 HydrophobicContact CE2-CE3 4.04Å; F171-W217 AromaticContact CE2-CG 3.67Å; F171-W217 HydrophobicContact CE2-CG 3.67Å; F171-W217 HydrophobicContact CG-CE3 4.43Å; F171-W217 HydrophobicContact CG-CH2 4.38Å; F171-W217 HydrophobicContact CG-CZ3 4.35Å; F171-V222 HydrophobicContact CB-CG1 4.44Å; F171-V222 HydrophobicContact CD1-CG1 4.07Å; F171-V222 HydrophobicContact CE1-CG2 4.23Å; F171-V222 HydrophobicContact CE2-CG2 4.41Å; F171-V222 HydrophobicContact CG-CG1 4.2Å; F171-V222 HydrophobicContact CZ-CG2 4.18Å; F171-F224 HydrophobicContact CB-CZ 4.07Å; F171-F224 HydrophobicContact CD1-CE2 4.44Å; F171-F224 HydrophobicContact CD1-CZ 4.08Å; F171-I252 HydrophobicContact CD1-CG2 3.95Å; F171-I252 HydrophobicContact CE1-CG2 4.24Å; F171-H253 WeakPolarHBondContact CA-O 3.46Å; F171-L254 HydrophobicContact CD2-CD1 3.82Å; F171-L254 HydrophobicContact CE2-CD1 3.4Å; F171-L254 HydrophobicContact CZ-CD1 3.83Å
172L95.8Very high95.7Very high27 Ų2746.1 Ų46.114%0.14126%0.255CS..EExtended strand (participates in β ladder)trans-123.9154.5177.1-4586.5000110.4L170 V204 Y205 I206 I252 H253 V255L170-L172 HydrophobicContact CB-CD1 4.03Å; L172-V204 HydrophobicContact CD2-CB 4.43Å; L172-V204 HydrophobicContact CD2-CG2 4.11Å; L172-Y205 CarbonylContact C-O 3.52Å; L172-Y205 WeakPolarHBondContact CA-O 3.36Å; L172-I206 HydrophobicContact CD2-CG1 3.96Å; L172-I206 HydrophobicContact CG-CG1 4.34Å; L172-I252 CarbonylContact O-C 3.41Å; L172-I252 WeakPolarHBondContact O-CA 3.39Å; L172-H253 HydrophobicContact CB-CB 4.16Å; L172-H253 HydrophobicContact CD1-CB 4.13Å; L172-H253 PolarHBondContact N-O 2.98Å; L172-H253 PolarHBondContact O-N 3.14Å; L172-V255 HydrophobicContact CD1-CB 4.42Å; L172-V255 HydrophobicContact CD1-CG2 3.74Å
173L96.9Very high95.9Very high0 Ų045.6 Ų45.60%024%0.239CC..EExtended strand (participates in β ladder)trans-129.2125.9171.1-178.184.8000108.9M152 Y205 F224 V227 L240 P250 R251 I252M152-L173 HydrophobicContact CE-CD2 3.74Å; L173-Y205 HydrophobicContact CB-CD1 4.5Å; L173-Y205 PolarHBondContact N-O 3.47Å; L173-Y205 PolarHBondContact O-N 2.97Å; L173-F224 HydrophobicContact CB-CD1 3.66Å; L173-F224 HydrophobicContact CB-CE1 3.72Å; L173-F224 HydrophobicContact CB-CG 4.31Å; L173-F224 HydrophobicContact CB-CZ 4.4Å; L173-F224 HydrophobicContact CD2-CB 4.27Å; L173-F224 HydrophobicContact CD2-CD1 4.4Å; L173-F224 HydrophobicContact CD2-CG 4.43Å; L173-V227 HydrophobicContact CD2-CB 4.37Å; L173-V227 HydrophobicContact CD2-CG1 4.1Å; L173-V227 HydrophobicContact CD2-CG2 3.7Å; L173-L240 HydrophobicContact CD2-CD1 4.48Å; L173-P250 HydrophobicContact CD1-CB 4.17Å; L173-R251 WeakPolarHBondContact CA-O 3.28Å; L173-I252 HydrophobicContact CD1-CD1 4.38Å; L173-I252 HydrophobicContact CD1-CG1 3.49Å; L173-I252 VanDerWaalsContact CD1-CG1 3.49Å
174D95.6Very high96Very high13 Ų1350.9 Ų50.97%0.0726%0.259CS..EExtended strand (participates in β ladder)trans-116.6172.4162.777.4-7.2000110.6V204 R251 H253D174-V204 HydrophobicContact CB-CG1 4.15Å; D174-R251 PolarHBondContact N-O 2.9Å; D174-R251 PolarHBondContact O-N 2.92Å; D174-R251 VanDerWaalsContact OD1-CB 3.28Å; D174-R251 WeakPolarHBondContact OD1-CB 3.27Å; D174-R251 IonicContact OD1-CZ 3.64Å; D174-R251 IonicContact OD1-NE 3.49Å; D174-R251 PolarHBondContact OD1-NE 3.21Å; D174-R251 VanDerWaalsContact OD1-NE 3.14Å; D174-R251 IonicContact OD1-NH2 3.81Å; D174-R251 IonicContact OD2-CZ 3.85Å; D174-R251 IonicContact OD2-NE 3.14Å; D174-R251 IonicContact OD2-NH2 3.58Å; D174-R251 PolarHBondContact OD2-NH2 3.35Å; D174-H253 VanDerWaalsContact CG-NE2 3.3Å; D174-H253 IonicContact OD1-CD2 2.87Å; D174-H253 IonicContact OD1-NE2 2.92Å; D174-H253 PolarHBondContact OD1-NE2 2.85Å; D174-H253 VanDerWaalsContact OD1-NE2 3.17Å; D174-H253 IonicContact OD2-NE2 3.1Å; D174-H253 PolarHBondContact OD2-NE2 3.39Å
175V95.9Very high96.1Very high19 Ų1949.8 Ų49.812%0.11525%0.25CC..EExtended strand (participates in β ladder)trans-134.9112.8179.9176.30000107.4L240 L242 Y248 F278V175-L240 HydrophobicContact CB-CD1 4.44Å; V175-L240 HydrophobicContact CG2-CD1 3.67Å; V175-L242 HydrophobicContact CB-CD2 4.12Å; V175-L242 HydrophobicContact CG1-CD1 4.26Å; V175-L242 HydrophobicContact CG1-CD2 3.71Å; V175-Y248 VanDerWaalsContact CG1-CB 3.45Å; V175-Y248 HydrophobicContact CG1-CD1 3.82Å; V175-Y248 HydrophobicContact CG1-CG 3.83Å; V175-F278 HydrophobicContact CG1-CE1 4.25Å; V175-F278 HydrophobicContact CG1-CZ 3.97Å
176I95.1Very high96Very high27 Ų2751.1 Ų51.114%0.13825%0.251CS..EExtended strand (participates in β ladder)trans-104.5142.6-176.357171.2000110.9Y248 Q249 R272I176-Y248 CarbonylContact O-C 3.54Å; I176-Y248 WeakPolarHBondContact O-CA 3.26Å; I176-Q249 HydrophobicContact CG1-CB 4.24Å; I176-Q249 WeakPolarHBondContact CG1-O 3.42Å; I176-Q249 PolarHBondContact N-O 3Å; I176-Q249 PolarHBondContact O-N 3.06Å; I176-R272 VanDerWaalsContact CD1-NH2 3.27Å
177P96.1Very high95.7Very high32 Ų3246.3 Ų46.321%0.20824%0.243CC..EExtended strand (participates in β ladder)trans-66.3139.6174.327-33.1000110.4R199 Y248P177-R199 HydrophobicContact CG-CG 4.44Å; P177-R199 VanDerWaalsContact CG-CZ 3.49Å; P177-Y248 HydrophobicContact CB-CD1 4.2Å; P177-Y248 HydrophobicContact CB-CE1 4.08Å
178V96.6Very high95.6Very high61 Ų6156.8 Ų56.837%0.3728%0.28SS..EExtended strand (participates in β ladder)trans-79.6-39.9-178.4172.90000111.4K247 Q249 T277V178-K247 HydrophobicContact CB-CB 4.26Å; V178-K247 HydrophobicContact CB-CD 4.22Å; V178-K247 HydrophobicContact CB-CG 3.98Å; V178-K247 HydrophobicContact CG1-CD 4.12Å; V178-K247 HydrophobicContact CG1-CG 4.42Å; V178-K247 HydrophobicContact CG2-CG 4Å; V178-K247 PolarHBondContact N-O 3.22Å; V178-Q249 HydrophobicContact CG2-CB 3.8Å; V178-T277 HydrophobicContact CG2-CG2 4.09Å
179D95.7Very high95.5Very high45 Ų4557 Ų5724%0.24128%0.28CS..EExtended strand (participates in β ladder)trans-144.9179.3-176.558.148.2000111.3A181 Y183D179-A181 WeakPolarHBondContact OD1-CB 3.43Å; D179-A181 PolarHBondContact OD1-N 2.68Å; D179-Y183 WeakPolarHBondContact OD1-CE2 3.46Å; D179-Y183 PolarHBondContact OD2-OH 3.28Å
180G95.6Very high95.6Very high56 Ų5658.3 Ų58.358%0.57729%0.285SS*.EExtended strand (participates in β ladder)trans-95.527.4176.900000113.7A196G180-A196 WeakPolarHBondContact O-CB 3.49Å; G180-A196 PolarHBondContact O-N 3.49Å
181A96.8Very high95.7Very high18 Ų1859.3 Ų59.315%0.14929%0.289CS..EExtended strand (participates in β ladder)trans-112.2145.3-177.400000113.1D179 Y183 P192 G194 H246D179-A181 WeakPolarHBondContact OD1-CB 3.43Å; D179-A181 PolarHBondContact OD1-N 2.68Å; A181-Y183 HydrophobicContact CB-CD2 4.45Å; A181-Y183 HydrophobicContact CB-CE2 3.9Å; A181-P192 HydrophobicContact CB-CB 4.34Å; A181-G194 WeakPolarHBondContact CA-O 3.44Å; A181-H246 PolarHBondContact O-CD2 3.48Å
182R97.4Very high95.7Very high124 Ų12463.7 Ų63.747%0.46832%0.318SS..EExtended strand (participates in β ladder)trans-96.8135.8163.4-176.3178.4173.8-156-0.6108.4S193 G194 M245R182-S193 PolarHBondContact O-N 2.99Å; R182-G194 PolarHBondContact N-O 2.8Å; R182-G194 PolarHBondContact O-N 2.88Å; R182-M245 HydrophobicContact CG-CB 4.26Å
183Y97.9Very high95.8Very high33 Ų3365.6 Ų65.613%0.12933%0.333CS..EExtended strand (participates in β ladder)trans-106.4157.9-172.4-73.8-94.5000113D179 A181 W190 E191 P192 M245 K247 I279D179-Y183 WeakPolarHBondContact OD1-CE2 3.46Å; D179-Y183 PolarHBondContact OD2-OH 3.28Å; A181-Y183 HydrophobicContact CB-CD2 4.45Å; A181-Y183 HydrophobicContact CB-CE2 3.9Å; Y183-W190 HydrophobicContact CD1-CB 4.26Å; Y183-E191 CarbonylContact C-O 3.54Å; Y183-E191 WeakPolarHBondContact CA-O 3.4Å; Y183-P192 HydrophobicContact CE1-CG 4.2Å; Y183-M245 PolarHBondContact N-O 2.89Å; Y183-M245 WeakPolarHBondContact O-CB 3.41Å; Y183-K247 HydrophobicContact CD2-CB 4.39Å; Y183-K247 HydrophobicContact CE2-CB 3.86Å; Y183-I279 HydrophobicContact CD1-CD1 4.43Å; Y183-I279 HydrophobicContact CG-CD1 4.26Å
184R97.1Very high95.7Very high119 Ų11967.5 Ų67.545%0.44935%0.353SS..EExtended strand (participates in β ladder)trans-134147.5167.669.1-176.4-68.4145.5-1.6110.3Q186 W190 E191R184-Q186 HydrophobicContact CG-CG 4.23Å; R184-W190 VanDerWaalsContact C-CE3 3.48Å; R184-E191 PolarHBondContact N-O 2.86Å; R184-E191 PolarHBondContact O-N 3.16Å
185W96.5Very high95.7Very high40 Ų4075.9 Ų75.915%0.15239%0.388CS..EExtended strand (participates in β ladder)trans-89.8130172.5-179.4-112000110.1G187 R188 R189 W190 Q285 N286W185-G187 VanDerWaalsContact CZ2-C 3.49Å; W185-G187 VanDerWaalsContact CZ2-O 3.25Å; W185-G187 WeakPolarHBondContact CZ2-O 3.24Å; W185-G187 VanDerWaalsContact NE1-CA 3.26Å; W185-R188 VanDerWaalsContact CH2-O 3.26Å; W185-R188 WeakPolarHBondContact CH2-O 3.39Å; W185-R189 VanDerWaalsContact CZ3-C 3.41Å; W185-R189 VanDerWaalsContact CZ3-CA 3.43Å; W185-W190 HydrophobicContact CB-CE3 4.27Å; W185-W190 HydrophobicContact CB-CH2 4.35Å; W185-W190 HydrophobicContact CB-CZ3 4.22Å; W185-W190 AromaticContact CE3-CD1 3.59Å; W185-W190 AromaticContact CE3-CD2 3.87Å; W185-W190 HydrophobicContact CE3-CD2 3.87Å; W185-W190 AromaticContact CE3-CE2 3.82Å; W185-W190 AromaticContact CE3-CG 3.78Å; W185-W190 HydrophobicContact CE3-CG 3.78Å; W185-W190 AromaticContact CE3-NE1 3.57Å; W185-W190 AromaticContact CZ3-CD1 3.59Å; W185-W190 HydrophobicContact CZ3-CG 4.13Å; W185-W190 AromaticContact CZ3-NE1 3.78Å; W185-Q285 HydrophobicContact CB-CB 3.6Å; W185-Q285 HydrophobicContact CB-CG 4.12Å; W185-Q285 HydrophobicContact CD2-CB 4.38Å; W185-Q285 HydrophobicContact CG-CB 3.7Å; W185-Q285 PolarHBondContact NE1-O 3.17Å; W185-N286 HydrophobicContact CH2-CB 3.82Å; W185-N286 WeakPolarHBondContact CH2-ND2 3.37Å; W185-N286 HydrophobicContact CZ2-CB 3.73Å; W185-N286 HydrophobicContact CZ3-CB 4.25Å
186Q95Very high95.6Very high92 Ų9276.2 Ų76.243%0.4339%0.393SS..  trans-109.729.8-177.6-59.8-8563.600111.8R184 R188 R189 E191R184-Q186 HydrophobicContact CG-CG 4.23Å; Q186-R188 PolarHBondContact O-N 3.16Å; Q186-R189 PolarHBondContact N-O 3.15Å; Q186-E191 HydrophobicContact CG-CB 4.28Å; Q186-E191 HydrophobicContact CG-CG 4.07Å; Q186-E191 WeakPolarHBondContact CG-OE2 3.26Å; Q186-E191 PolarHBondContact NE2-OE2 2.99Å
187G90.1Very high95.4Very high54 Ų5478.8 Ų78.856%0.55741%0.405SS*.SBendtrans80.9-31.2-178.400000114.6W185W185-G187 VanDerWaalsContact CZ2-C 3.49Å; W185-G187 VanDerWaalsContact CZ2-O 3.25Å; W185-G187 WeakPolarHBondContact CZ2-O 3.24Å; W185-G187 VanDerWaalsContact NE1-CA 3.26Å
188R90.7Very high95.1Very high233 Ų23382.4 Ų82.488%0.87943%0.428SS*.SBendtrans-119.8-30.7179-67.2-171.1-179.4-156.20.9115W185 Q186W185-R188 VanDerWaalsContact CH2-O 3.26Å; W185-R188 WeakPolarHBondContact CH2-O 3.39Å; Q186-R188 PolarHBondContact O-N 3.16Å
189R94.2Very high94.4Very high163 Ų16388.5 Ų88.562%0.61544%0.444SS*.SBendtrans-149.2161-176.568.5179.3-177.2-172.11.9111.8W185 Q186 E191W185-R189 VanDerWaalsContact CZ3-C 3.41Å; W185-R189 VanDerWaalsContact CZ3-CA 3.43Å; Q186-R189 PolarHBondContact N-O 3.15Å; R189-E191 HydrophobicContact CG-CG 4.06Å; R189-E191 IonicContact CZ-OE1 3.14Å; R189-E191 IonicContact NE-OE1 3.94Å; R189-E191 PolarHBondContact NE-OE1 2.63Å; R189-E191 IonicContact NH2-OE1 2.7Å; R189-E191 PolarHBondContact NH2-OE1 2.91Å
190W96.8Very high93.7Very high39 Ų3988.2 Ų88.215%0.14844%0.443CS..EExtended strand (participates in β ladder)trans-81.6129.8169.2-75.2104.9000110.2E110 Y183 R184 W185 M245 I279 V281 Q285E110-W190 HydrophobicContact CG-CZ2 4.03Å; E110-W190 WeakPolarHBondContact OE1-CZ2 3.35Å; Y183-W190 HydrophobicContact CD1-CB 4.26Å; R184-W190 VanDerWaalsContact C-CE3 3.48Å; W185-W190 HydrophobicContact CB-CE3 4.27Å; W185-W190 HydrophobicContact CB-CH2 4.35Å; W185-W190 HydrophobicContact CB-CZ3 4.22Å; W185-W190 AromaticContact CE3-CD1 3.59Å; W185-W190 AromaticContact CE3-CD2 3.87Å; W185-W190 HydrophobicContact CE3-CD2 3.87Å; W185-W190 AromaticContact CE3-CE2 3.82Å; W185-W190 AromaticContact CE3-CG 3.78Å; W185-W190 HydrophobicContact CE3-CG 3.78Å; W185-W190 AromaticContact CE3-NE1 3.57Å; W185-W190 AromaticContact CZ3-CD1 3.59Å; W185-W190 HydrophobicContact CZ3-CG 4.13Å; W185-W190 AromaticContact CZ3-NE1 3.78Å; W190-M245 HydrophobicContact CH2-CE 3.64Å; W190-M245 HydrophobicContact CH2-SD 4.25Å; W190-M245 HydrophobicContact CZ3-CE 3.46Å; W190-M245 VanDerWaalsContact CZ3-CE 3.46Å; W190-M245 HydrophobicContact CZ3-SD 4.46Å; W190-I279 HydrophobicContact CB-CD1 4.04Å; W190-I279 HydrophobicContact CD2-CD1 3.42Å; W190-I279 VanDerWaalsContact CD2-CD1 3.42Å; W190-I279 HydrophobicContact CE3-CD1 3.84Å; W190-I279 HydrophobicContact CG-CD1 3.52Å; W190-I279 HydrophobicContact CH2-CG2 3.72Å; W190-I279 HydrophobicContact CZ2-CB 4.32Å; W190-I279 HydrophobicContact CZ2-CD1 4.31Å; W190-I279 HydrophobicContact CZ2-CG2 3.99Å; W190-I279 HydrophobicContact CZ3-CD1 4.38Å; W190-I279 HydrophobicContact CZ3-CG2 4.02Å; W190-V281 HydrophobicContact CH2-CG1 3.8Å; W190-V281 HydrophobicContact CZ2-CG1 4.1Å; W190-Q285 HydrophobicContact CH2-CB 4.11Å; W190-Q285 HydrophobicContact CH2-CG 3.63Å; W190-Q285 HydrophobicContact CZ2-CB 3.94Å; W190-Q285 HydrophobicContact CZ2-CG 3.92Å
191E96.9Very high93Very high50 Ų5090.6 Ų90.623%0.23445%0.448CS..EExtended strand (participates in β ladder)trans-126143.1176.4-67.3-174165.500110.9Y183 R184 Q186 R189 S193Y183-E191 CarbonylContact C-O 3.54Å; Y183-E191 WeakPolarHBondContact CA-O 3.4Å; R184-E191 PolarHBondContact N-O 2.86Å; R184-E191 PolarHBondContact O-N 3.16Å; Q186-E191 HydrophobicContact CG-CB 4.28Å; Q186-E191 HydrophobicContact CG-CG 4.07Å; Q186-E191 WeakPolarHBondContact CG-OE2 3.26Å; Q186-E191 PolarHBondContact NE2-OE2 2.99Å; R189-E191 HydrophobicContact CG-CG 4.06Å; R189-E191 IonicContact CZ-OE1 3.14Å; R189-E191 IonicContact NE-OE1 3.94Å; R189-E191 PolarHBondContact NE-OE1 2.63Å; R189-E191 IonicContact NH2-OE1 2.7Å; R189-E191 PolarHBondContact NH2-OE1 2.91Å; E191-S193 PolarHBondContact O-N 3.08Å
192P97.3Very high92.3Very high93 Ų9396.4 Ų96.460%0.60448%0.477SS*.EExtended strand (participates in β ladder)trans-59.4129.5167.8-21.133.3000110.4A181 Y183A181-P192 HydrophobicContact CB-CB 4.34Å; Y183-P192 HydrophobicContact CE1-CG 4.2Å
193S96.7Very high92Very high66 Ų6693.9 Ų93.946%0.46247%0.467SS..EExtended strand (participates in β ladder)trans-116.8-9.4179.7-171.90000113.3R182 E191R182-S193 PolarHBondContact O-N 2.99Å; E191-S193 PolarHBondContact O-N 3.08Å
194G95.4Very high91.7Very high40 Ų4095.8 Ų95.841%0.41248%0.482SS..EExtended strand (participates in β ladder)trans173.2-175.6-178.500000112.8A181 R182A181-G194 WeakPolarHBondContact CA-O 3.44Å; R182-G194 PolarHBondContact N-O 2.8Å; R182-G194 PolarHBondContact O-N 2.88Å
195K96.5Very high91.7Very high189 Ų18992.2 Ų92.282%0.82247%0.469SS*.EExtended strand (participates in β ladder)trans-75146.4175.9-168.2176.4-179.9-179.80110.8
196A94.3Very high91.6Very high26 Ų2694.5 Ų94.522%0.21548%0.483CS..PPolyproline II helixtrans-63149.317500000112.1G180 H246G180-A196 WeakPolarHBondContact O-CB 3.49Å; G180-A196 PolarHBondContact O-N 3.49Å; A196-H246 VanDerWaalsContact CA-NE2 3.29Å; A196-H246 WeakPolarHBondContact CA-NE2 3.49Å
197E90.4Very high91.7Very high81 Ų8190.8 Ų90.838%0.37947%0.466SS..PPolyproline II helixtrans-65.1153.4171-71.2175.1-139.600111R199 H243 H246E197-R199 PolarHBondContact O-N 2.9Å; E197-H243 HydrophobicContact CB-CB 4.37Å; E197-H243 WeakPolarHBondContact CB-CD2 3.21Å; E197-H243 IonicContact OE2-CD2 3.75Å; E197-H243 IonicContact OE2-CE1 3.52Å; E197-H243 PolarHBondContact OE2-CE1 3.41Å; E197-H243 IonicContact OE2-CG 3.92Å; E197-H243 IonicContact OE2-ND1 3.17Å; E197-H243 PolarHBondContact OE2-ND1 3.21Å; E197-H243 VanDerWaalsContact OE2-ND1 3.1Å; E197-H243 IonicContact OE2-NE2 3.37Å; E197-H246 PolarHBondContact N-NE2 3.42Å; E197-H246 IonicContact OE1-CE1 2.68Å
198P89.4Confident92.1Very high108 Ų10891.5 Ų91.570%0.70146%0.461SS*.PPolyproline II helixtrans-53.4140.4178.1-25.634.4000111.6L200 H243P198-L200 PolarHBondContact O-N 3.46Å; P198-H243 PolarHBondContact O-NE2 3.4Å
199R82.1Confident92.4Very high189 Ų18983.8 Ų83.871%0.71344%0.437SS*.PPolyproline II helixtrans-62.4137.5178.8-71.9-159.9-179.8161-1.3110.4P177 E197P177-R199 HydrophobicContact CG-CG 4.44Å; P177-R199 VanDerWaalsContact CG-CZ 3.49Å; E197-R199 PolarHBondContact O-N 2.9Å
200L81Confident92.4Very high40 Ų4077 Ų7721%0.20941%0.414CS..PPolyproline II helixtrans-81.7161.7175-63.2170.6000109.5P198 D202 T233 I241P198-L200 PolarHBondContact O-N 3.46Å; L200-D202 PolarHBondContact O-N 2.92Å; L200-T233 HydrophobicContact CD1-CG2 4.49Å; L200-T233 HydrophobicContact CD2-CG2 3.67Å; L200-I241 HydrophobicContact CD1-CB 3.83Å; L200-I241 HydrophobicContact CD1-CG2 3.37Å
201P81Confident92.4Very high105 Ų10578.9 Ų78.968%0.68243%0.431SS*.PPolyproline II helixtrans-53131.5169.6-24.334.1000110.3R203P201-R203 PolarHBondContact O-N 3.37Å
202D80.8Confident92.5Very high140 Ų14077.1 Ų77.175%0.74943%0.426SS*.PPolyproline II helixtrans-60.7129.6179-69.3-32.3000109.5L200L200-D202 PolarHBondContact O-N 2.92Å
203R91.5Very high92.5Very high71 Ų7174.9 Ų74.927%0.26841%0.411SS..  trans-120.5137.5174.5-70-172175.9-160.2-3109.2P201 D235 H239 L240 I241P201-R203 PolarHBondContact O-N 3.37Å; R203-D235 PolarHBondContact NH1-O 2.96Å; R203-D235 VanDerWaalsContact NH1-O 3.07Å; R203-D235 IonicContact NH1-OD2 3.69Å; R203-D235 PolarHBondContact NH1-OD2 2.81Å; R203-D235 PolarHBondContact NH2-O 2.79Å; R203-H239 WeakPolarHBondContact CD-O 3.43Å; R203-H239 PolarHBondContact NH1-O 3.26Å; R203-L240 HydrophobicContact CB-CD2 4.02Å; R203-L240 WeakPolarHBondContact O-CD2 3.47Å; R203-I241 VanDerWaalsContact NE-CD1 3.34Å
204V93.2Very high92.5Very high73 Ų7371.8 Ų71.844%0.44239%0.389SS..  trans-115.3138.2176.7-55.10000109.2L172 D174 I206L172-V204 HydrophobicContact CD2-CB 4.43Å; L172-V204 HydrophobicContact CD2-CG2 4.11Å; D174-V204 HydrophobicContact CB-CG1 4.15Å; V204-I206 HydrophobicContact CG2-CG1 4.49Å
205Y95.6Very high92.6Very high44 Ų4472 Ų7217%0.17339%0.387CS..EExtended strand (participates in β ladder)trans-93.3123.1167.7173.7-93.4000108.9L172 L173 P208 F224 V227L172-Y205 CarbonylContact C-O 3.52Å; L172-Y205 WeakPolarHBondContact CA-O 3.36Å; L173-Y205 HydrophobicContact CB-CD1 4.5Å; L173-Y205 PolarHBondContact N-O 3.47Å; L173-Y205 PolarHBondContact O-N 2.97Å; Y205-P208 VanDerWaalsContact OH-CD 3.31Å; Y205-P208 WeakPolarHBondContact OH-CD 3.26Å; Y205-F224 AromaticContact CD1-CD1 3.66Å; Y205-F224 HydrophobicContact CD1-CD1 3.66Å; Y205-F224 HydrophobicContact CD1-CE1 4.13Å; Y205-F224 AromaticContact CE1-CD1 3.73Å; Y205-F224 HydrophobicContact CE1-CD1 3.73Å; Y205-F224 HydrophobicContact CE1-CE1 4.32Å; Y205-V227 HydrophobicContact CD1-CG2 3.45Å; Y205-V227 VanDerWaalsContact CD1-CG2 3.45Å; Y205-V227 HydrophobicContact CD2-CG2 3.93Å; Y205-V227 HydrophobicContact CE1-CG2 3.75Å; Y205-V227 HydrophobicContact CE2-CG2 4.21Å; Y205-V227 HydrophobicContact CG-CG2 3.53Å
206I95.6Very high92.7Very high89 Ų8966.3 Ų66.346%0.45636%0.363SS..EExtended strand (participates in β ladder)trans-92.8129.1173.7-57.2173.9000108.1L172 V204L172-I206 HydrophobicContact CD2-CG1 3.96Å; L172-I206 HydrophobicContact CG-CG1 4.34Å; V204-I206 HydrophobicContact CG2-CG1 4.49Å
207H97.1Very high92.9Very high14 Ų1465.2 Ų65.27%0.06535%0.353CS..PPolyproline II helixtrans-62133.7175.6-170.6-80.6000109.5F171 D209 S210 W217 S223 F224F171-H207 HydrophobicContact CB-CB 3.92Å; F171-H207 WeakPolarHBondContact O-CB 3.16Å; F171-H207 PolarHBondContact O-N 2.86Å; H207-D209 VanDerWaalsContact CE1-CG 3.47Å; H207-D209 IonicContact CE1-OD1 3.73Å; H207-D209 IonicContact CE1-OD2 3.73Å; H207-D209 WeakPolarHBondContact ND1-CB 3.44Å; H207-D209 PolarHBondContact ND1-N 3.2Å; H207-D209 IonicContact ND1-OD1 3.98Å; H207-D209 PolarHBondContact O-N 3.14Å; H207-D209 VanDerWaalsContact O-N 3.15Å; H207-S210 WeakPolarHBondContact O-CB 3.33Å; H207-S210 PolarHBondContact O-N 3.02Å; H207-S210 PolarHBondContact O-OG 3.39Å; H207-W217 HydrophobicContact CB-CH2 4.02Å; H207-W217 AromaticContact CE1-CZ3 3.83Å; H207-W217 AromaticContact CG-CH2 3.79Å; H207-W217 AromaticContact CG-CZ3 3.97Å; H207-W217 AromaticContact ND1-CH2 3.37Å; H207-W217 WeakPolarHBondContact ND1-CH2 3.37Å; H207-W217 AromaticContact ND1-CZ3 3.53Å; H207-S223 PolarHBondContact NE2-O 3.35Å; H207-F224 HydrophobicContact CB-CE1 4.2Å
208P96.8Very high93.3Very high69 Ų6964.5 Ų64.545%0.44835%0.351SS..THydrogen-bonded Turntrans-61-28.5-17223.2-35.8000113.8Y205 S210Y205-P208 VanDerWaalsContact OH-CD 3.31Å; Y205-P208 WeakPolarHBondContact OH-CD 3.26Å; P208-S210 PolarHBondContact O-N 3.14Å
209D96.9Very high93.7Very high70 Ų7068.4 Ų68.437%0.37435%0.351SS..THydrogen-bonded Turntrans-75.5-4.5175.5-579.9000112.8H207 P211 A212 H216 W217H207-D209 VanDerWaalsContact CE1-CG 3.47Å; H207-D209 IonicContact CE1-OD1 3.73Å; H207-D209 IonicContact CE1-OD2 3.73Å; H207-D209 WeakPolarHBondContact ND1-CB 3.44Å; H207-D209 PolarHBondContact ND1-N 3.2Å; H207-D209 IonicContact ND1-OD1 3.98Å; H207-D209 PolarHBondContact O-N 3.14Å; H207-D209 VanDerWaalsContact O-N 3.15Å; D209-P211 CarbonylContact O-C 3.28Å; D209-P211 VanDerWaalsContact O-C 3.28Å; D209-A212 VanDerWaalsContact O-CB 3.22Å; D209-A212 WeakPolarHBondContact O-CB 3.32Å; D209-A212 PolarHBondContact O-N 2.9Å; D209-H216 IonicContact OD2-CE1 3.4Å; D209-H216 IonicContact OD2-NE2 3.93Å; D209-H216 PolarHBondContact OD2-NE2 3.39Å; D209-H216 VanDerWaalsContact OD2-NE2 3.1Å; D209-W217 HydrophobicContact CB-CH2 3.77Å; D209-W217 HydrophobicContact CB-CZ2 4.42Å; D209-W217 HydrophobicContact CB-CZ3 4.15Å
210S96.1Very high94.4Very high21 Ų2164.5 Ų64.515%0.14734%0.341CS..  trans-77.9139.9177.5-550000111.3F171 H207 P208F171-S210 PolarHBondContact N-OG 3.47Å; F171-S210 PolarHBondContact O-OG 2.87Å; H207-S210 WeakPolarHBondContact O-CB 3.33Å; H207-S210 PolarHBondContact O-N 3.02Å; H207-S210 PolarHBondContact O-OG 3.39Å; P208-S210 PolarHBondContact O-N 3.14Å
211P96.3Very high95.2Very high78 Ų7864.4 Ų64.451%0.50634%0.343SS..SBendcis-79.9139.6-8.632.1-33.2000112.2Y169 L170 D209Y169-P211 WeakPolarHBondContact O-CA 3.32Å; L170-P211 HydrophobicContact CD1-CB 4.41Å; L170-P211 HydrophobicContact CG-CB 4.25Å; D209-P211 CarbonylContact O-C 3.28Å; D209-P211 VanDerWaalsContact O-C 3.28Å
212A97.7Very high96Very high14 Ų1459.7 Ų59.712%0.11631%0.313CS..EExtended strand (participates in β ladder)trans-135.5163.7173.500000112.1R168 Y169 D209 H216 W217R168-A212 CarbonylContact C-O 3.57Å; R168-A212 WeakPolarHBondContact CA-O 3.42Å; Y169-A212 PolarHBondContact N-O 3.3Å; Y169-A212 PolarHBondContact O-N 3.45Å; D209-A212 VanDerWaalsContact O-CB 3.22Å; D209-A212 WeakPolarHBondContact O-CB 3.32Å; D209-A212 PolarHBondContact O-N 2.9Å; A212-H216 HydrophobicContact CB-CB 4.01Å; A212-H216 WeakPolarHBondContact CB-CD2 3.41Å; A212-W217 HydrophobicContact CB-CZ2 4.01Å; A212-W217 PolarHBondContact O-NE1 2.81Å; A212-W217 VanDerWaalsContact O-NE1 3.09Å
213T97.8Very high96.8Very high46 Ų4654.1 Ų54.128%0.28228%0.284SS..EExtended strand (participates in β ladder)trans-69.5156.9-177.459.10000112.4P165 A167 R168 A215 H216 W217P165-T213 WeakPolarHBondContact O-CB 3.28Å; A167-T213 CarbonylContact O-C 3.58Å; A167-T213 VanDerWaalsContact O-CA 3.24Å; A167-T213 WeakPolarHBondContact O-CA 3.46Å; R168-T213 HydrophobicContact CG-CG2 4.32Å; T213-A215 PolarHBondContact O-N 3.05Å; T213-H216 WeakPolarHBondContact O-CB 3.37Å; T213-H216 PolarHBondContact O-N 2.88Å; T213-H216 VanDerWaalsContact O-N 3.09Å; T213-H216 PolarHBondContact OG1-N 3.3Å; T213-W217 PolarHBondContact O-N 2.87Å; T213-W217 VanDerWaalsContact O-N 3.15Å
214G97Very high97Very high0 Ų050.7 Ų50.70%027%0.271CS..Hα-helixtrans-57.2-38.3174.200000112.1D164 P165 A167 H216 W217 M218D164-G214 WeakPolarHBondContact O-CA 3.39Å; P165-G214 PolarHBondContact O-N 3.22Å; A167-G214 PolarHBondContact O-N 3.21Å; G214-H216 VanDerWaalsContact C-N 3.33Å; G214-H216 PolarHBondContact O-N 2.95Å; G214-W217 PolarHBondContact O-N 3.29Å; G214-M218 WeakPolarHBondContact O-CG 3.14Å; G214-M218 PolarHBondContact O-N 3.08Å
215A98.1Very high97Very high46 Ų4650.8 Ų50.838%0.3827%0.267SS..Hα-helixtrans-59.5-41.6174.600000112.5P165 T213 R219P165-A215 HydrophobicContact CB-CB 4.12Å; P165-A215 WeakPolarHBondContact O-CB 3.3Å; P165-A215 PolarHBondContact O-N 3.39Å; T213-A215 PolarHBondContact O-N 3.05Å; A215-R219 PolarHBondContact O-N 3Å
216H98.3Very high96.8Very high68 Ų6855.2 Ų55.232%0.31528%0.283SS..Hα-helixtrans-61.2-47.6176176.285.4000111.6D209 A212 T213 G214 R219D209-H216 IonicContact OD2-CE1 3.4Å; D209-H216 IonicContact OD2-NE2 3.93Å; D209-H216 PolarHBondContact OD2-NE2 3.39Å; D209-H216 VanDerWaalsContact OD2-NE2 3.1Å; A212-H216 HydrophobicContact CB-CB 4.01Å; A212-H216 WeakPolarHBondContact CB-CD2 3.41Å; T213-H216 WeakPolarHBondContact O-CB 3.37Å; T213-H216 PolarHBondContact O-N 2.88Å; T213-H216 VanDerWaalsContact O-N 3.09Å; T213-H216 PolarHBondContact OG1-N 3.3Å; G214-H216 VanDerWaalsContact C-N 3.33Å; G214-H216 PolarHBondContact O-N 2.95Å; H216-R219 WeakPolarHBondContact O-CB 3.38Å; H216-R219 PolarHBondContact O-N 3Å
217W98.1Very high96.7Very high4 Ų451 Ų512%0.01526%0.262CS..Hα-helixtrans-69.4-35.4-177.2-66.7120.2000113.6V160 L163 Y169 F171 H207 D209 A212 T213 G214 R219 V222V160-W217 HydrophobicContact CG1-CB 3.96Å; V160-W217 WeakPolarHBondContact CG1-O 3.14Å; L163-W217 HydrophobicContact CD1-CB 3.8Å; L163-W217 HydrophobicContact CD1-CG 4.42Å; Y169-W217 PolarHBondContact O-NE1 3.28Å; Y169-W217 VanDerWaalsContact O-NE1 3.09Å; F171-W217 HydrophobicContact CB-CH2 4Å; F171-W217 HydrophobicContact CB-CZ2 4.28Å; F171-W217 HydrophobicContact CB-CZ3 4.34Å; F171-W217 AromaticContact CD2-CD2 3.51Å; F171-W217 HydrophobicContact CD2-CD2 3.51Å; F171-W217 AromaticContact CD2-CE2 3.58Å; F171-W217 AromaticContact CD2-CE3 3.77Å; F171-W217 HydrophobicContact CD2-CE3 3.77Å; F171-W217 AromaticContact CD2-CG 3.99Å; F171-W217 HydrophobicContact CD2-CG 3.99Å; F171-W217 HydrophobicContact CD2-CH2 4.07Å; F171-W217 AromaticContact CD2-CZ2 3.87Å; F171-W217 HydrophobicContact CD2-CZ2 3.87Å; F171-W217 HydrophobicContact CD2-CZ3 4.04Å; F171-W217 HydrophobicContact CE2-CB 4Å; F171-W217 AromaticContact CE2-CD2 3.67Å; F171-W217 HydrophobicContact CE2-CD2 3.67Å; F171-W217 HydrophobicContact CE2-CE3 4.04Å; F171-W217 AromaticContact CE2-CG 3.67Å; F171-W217 HydrophobicContact CE2-CG 3.67Å; F171-W217 HydrophobicContact CG-CE3 4.43Å; F171-W217 HydrophobicContact CG-CH2 4.38Å; F171-W217 HydrophobicContact CG-CZ3 4.35Å; H207-W217 HydrophobicContact CB-CH2 4.02Å; H207-W217 AromaticContact CE1-CZ3 3.83Å; H207-W217 AromaticContact CG-CH2 3.79Å; H207-W217 AromaticContact CG-CZ3 3.97Å; H207-W217 AromaticContact ND1-CH2 3.37Å; H207-W217 WeakPolarHBondContact ND1-CH2 3.37Å; H207-W217 AromaticContact ND1-CZ3 3.53Å; D209-W217 HydrophobicContact CB-CH2 3.77Å; D209-W217 HydrophobicContact CB-CZ2 4.42Å; D209-W217 HydrophobicContact CB-CZ3 4.15Å; A212-W217 HydrophobicContact CB-CZ2 4.01Å; A212-W217 PolarHBondContact O-NE1 2.81Å; A212-W217 VanDerWaalsContact O-NE1 3.09Å; T213-W217 PolarHBondContact O-N 2.87Å; T213-W217 VanDerWaalsContact O-N 3.15Å; G214-W217 PolarHBondContact O-N 3.29Å; W217-R219 VanDerWaalsContact C-N 3.3Å; W217-V222 HydrophobicContact CE3-CB 4.46Å; W217-V222 HydrophobicContact CE3-CG1 4.11Å; W217-V222 HydrophobicContact CE3-CG2 3.54Å; W217-V222 HydrophobicContact CZ3-CG1 3.72Å; W217-V222 HydrophobicContact CZ3-CG2 4.05Å
218M97.9Very high96.5Very high65 Ų6553.4 Ų53.432%0.3227%0.272SS..Hα-helixtrans-79.9-9.9178.6-64.2-171-67.400113.2V160 G162 L163 P165 G214V160-M218 HydrophobicContact CG1-CG 4.22Å; V160-M218 WeakPolarHBondContact O-CG 3.31Å; G162-M218 PolarHBondContact N-SD 2.94Å; L163-M218 HydrophobicContact CB-CE 4Å; L163-M218 HydrophobicContact CB-CG 4.25Å; L163-M218 HydrophobicContact CB-SD 3.89Å; L163-M218 HydrophobicContact CD1-CG 4.18Å; L163-M218 HydrophobicContact CG-CG 4.22Å; L163-M218 HydrophobicContact CG-SD 4.28Å; L163-M218 PolarHBondContact N-SD 2.54Å; L163-M218 VanDerWaalsContact N-SD 3.42Å; L163-M218 WeakPolarHBondContact O-CE 3.41Å; P165-M218 HydrophobicContact CG-CE 4.37Å; G214-M218 WeakPolarHBondContact O-CG 3.14Å; G214-M218 PolarHBondContact O-N 3.08Å
219R97.8Very high96.3Very high190 Ų19050.2 Ų50.272%0.71725%0.251SS*.THydrogen-bonded Turntrans-67.5-36.5-178.8-178.3-178.8179-81.3-1.8113.4A215 H216 W217A215-R219 PolarHBondContact O-N 3Å; H216-R219 WeakPolarHBondContact O-CB 3.38Å; H216-R219 PolarHBondContact O-N 3Å; W217-R219 VanDerWaalsContact C-N 3.3Å
220Q97.1Very high96Very high107 Ų10746.9 Ų46.950%0.523%0.233SC..SBendtrans-157160.1-176.766.2-176.7-1.900110.9V222Q220-V222 PolarHBondContact O-N 3.22Å
221P98.1Very high95.8Very high39 Ų3948.4 Ų48.425%0.25324%0.24SC..  trans-61.1130.2-179.3-18.827.5000113.1E96 V158 S159E96-P221 HydrophobicContact CG-CB 3.68Å; E96-P221 HydrophobicContact CG-CG 4.07Å; V158-P221 CarbonylContact O-C 3.5Å; V158-P221 WeakPolarHBondContact O-CA 3.5Å; S159-P221 WeakPolarHBondContact OG-CG 3.22Å
222V98.1Very high95.4Very high6 Ų645.8 Ų45.84%0.03622%0.223CC..EExtended strand (participates in β ladder)trans-72.4130.3176.8-173.90000109.7R157 V158 F171 W217 Q220 F224R157-V222 CarbonylContact C-O 3.47Å; R157-V222 WeakPolarHBondContact CA-O 3.5Å; V158-V222 HydrophobicContact CG2-CB 4.06Å; V158-V222 PolarHBondContact N-O 3.11Å; V158-V222 PolarHBondContact O-N 2.89Å; F171-V222 HydrophobicContact CB-CG1 4.44Å; F171-V222 HydrophobicContact CD1-CG1 4.07Å; F171-V222 HydrophobicContact CE1-CG2 4.23Å; F171-V222 HydrophobicContact CE2-CG2 4.41Å; F171-V222 HydrophobicContact CG-CG1 4.2Å; F171-V222 HydrophobicContact CZ-CG2 4.18Å; W217-V222 HydrophobicContact CE3-CB 4.46Å; W217-V222 HydrophobicContact CE3-CG1 4.11Å; W217-V222 HydrophobicContact CE3-CG2 3.54Å; W217-V222 HydrophobicContact CZ3-CG1 3.72Å; W217-V222 HydrophobicContact CZ3-CG2 4.05Å; Q220-V222 PolarHBondContact O-N 3.22Å; V222-F224 HydrophobicContact CG1-CE2 4.07Å; V222-F224 HydrophobicContact CG1-CZ 4.31Å
223S97.3Very high94.9Very high22 Ų2248.9 Ų48.915%0.15424%0.241CC..EExtended strand (participates in β ladder)trans-122.6119.6-172.6-176.90000113.8H207 H225H207-S223 PolarHBondContact NE2-O 3.35Å; S223-H225 VanDerWaalsContact C-N 3.27Å; S223-H225 PolarHBondContact O-N 2.72Å; S223-H225 PolarHBondContact OG-N 3.27Å; S223-H225 PolarHBondContact OG-ND1 2.88Å
224F96.6Very high94.3Very high0 Ų053.8 Ų53.80%027%0.265CS..  trans-9127.8174.7-63.5-86.7000113C156 V158 F171 L173 Y205 H207 V222 R226 V227 I252C156-F224 HydrophobicContact CB-CB 4.25Å; C156-F224 HydrophobicContact CB-CD2 4.48Å; C156-F224 WeakPolarHBondContact O-CB 3.27Å; C156-F224 PolarHBondContact O-N 3.23Å; V158-F224 HydrophobicContact CG2-CE2 4.35Å; F171-F224 HydrophobicContact CB-CZ 4.07Å; F171-F224 HydrophobicContact CD1-CE2 4.44Å; F171-F224 HydrophobicContact CD1-CZ 4.08Å; L173-F224 HydrophobicContact CB-CD1 3.66Å; L173-F224 HydrophobicContact CB-CE1 3.72Å; L173-F224 HydrophobicContact CB-CG 4.31Å; L173-F224 HydrophobicContact CB-CZ 4.4Å; L173-F224 HydrophobicContact CD2-CB 4.27Å; L173-F224 HydrophobicContact CD2-CD1 4.4Å; L173-F224 HydrophobicContact CD2-CG 4.43Å; Y205-F224 AromaticContact CD1-CD1 3.66Å; Y205-F224 HydrophobicContact CD1-CD1 3.66Å; Y205-F224 HydrophobicContact CD1-CE1 4.13Å; Y205-F224 AromaticContact CE1-CD1 3.73Å; Y205-F224 HydrophobicContact CE1-CD1 3.73Å; Y205-F224 HydrophobicContact CE1-CE1 4.32Å; H207-F224 HydrophobicContact CB-CE1 4.2Å; V222-F224 HydrophobicContact CG1-CE2 4.07Å; V222-F224 HydrophobicContact CG1-CZ 4.31Å; F224-R226 PolarHBondContact O-N 2.84Å; F224-R226 VanDerWaalsContact O-N 3.13Å; F224-V227 HydrophobicContact CB-CG2 3.88Å; F224-V227 HydrophobicContact CD1-CG2 4.37Å; F224-V227 WeakPolarHBondContact O-CB 3.17Å; F224-V227 VanDerWaalsContact O-CG2 3.3Å; F224-V227 WeakPolarHBondContact O-CG2 3.34Å; F224-V227 PolarHBondContact O-N 3.35Å; F224-V227 VanDerWaalsContact O-N 3.12Å; F224-I252 HydrophobicContact CD2-CD1 4.28Å; F224-I252 HydrophobicContact CE2-CD1 3.92Å; F224-I252 HydrophobicContact CE2-CG1 4.1Å; F224-I252 HydrophobicContact CE2-CG2 4.17Å; F224-I252 HydrophobicContact CZ-CG1 4.48Å; F224-I252 HydrophobicContact CZ-CG2 4.13Å
225H92.3Very high93.8Very high75 Ų7553.9 Ų53.935%0.34727%0.265SS..THydrogen-bonded Turntrans-64.4-17.9-176.770.3-83.5000114.2R151 A155 S223R151-H225 VanDerWaalsContact CD-O 3.24Å; R151-H225 WeakPolarHBondContact CD-O 3.45Å; R151-H225 WeakPolarHBondContact CG-O 3.21Å; A155-H225 HydrophobicContact CB-CB 3.85Å; S223-H225 VanDerWaalsContact C-N 3.27Å; S223-H225 PolarHBondContact O-N 2.72Å; S223-H225 PolarHBondContact OG-N 3.27Å; S223-H225 PolarHBondContact OG-ND1 2.88Å
226R92.3Very high93.3Very high137 Ų13756.9 Ų56.952%0.51728%0.281SS..THydrogen-bonded Turntrans-85.8-8.7178.5-62.8-175.1176.3179-2.3113.3F224 K228F224-R226 PolarHBondContact O-N 2.84Å; F224-R226 VanDerWaalsContact O-N 3.13Å; R226-K228 PolarHBondContact O-N 2.87Å
227V93.4Very high92.6Very high1 Ų159.9 Ų59.91%0.00629%0.294CS..  trans-59132.7175.2173.40000109.5R151 M152 L173 Y205 F224 L229 L240R151-V227 WeakPolarHBondContact CA-O 3.37Å; M152-V227 HydrophobicContact CE-CB 3.98Å; M152-V227 HydrophobicContact CE-CG1 3.9Å; M152-V227 HydrophobicContact CE-CG2 4.49Å; L173-V227 HydrophobicContact CD2-CB 4.37Å; L173-V227 HydrophobicContact CD2-CG1 4.1Å; L173-V227 HydrophobicContact CD2-CG2 3.7Å; Y205-V227 HydrophobicContact CD1-CG2 3.45Å; Y205-V227 VanDerWaalsContact CD1-CG2 3.45Å; Y205-V227 HydrophobicContact CD2-CG2 3.93Å; Y205-V227 HydrophobicContact CE1-CG2 3.75Å; Y205-V227 HydrophobicContact CE2-CG2 4.21Å; Y205-V227 HydrophobicContact CG-CG2 3.53Å; F224-V227 HydrophobicContact CB-CG2 3.88Å; F224-V227 HydrophobicContact CD1-CG2 4.37Å; F224-V227 WeakPolarHBondContact O-CB 3.17Å; F224-V227 VanDerWaalsContact O-CG2 3.3Å; F224-V227 WeakPolarHBondContact O-CG2 3.34Å; F224-V227 PolarHBondContact O-N 3.35Å; F224-V227 VanDerWaalsContact O-N 3.12Å; V227-L229 HydrophobicContact CG1-CD2 4.16Å; V227-L240 HydrophobicContact CG1-CD1 3.63Å; V227-L240 HydrophobicContact CG1-CG 4.23Å
228K92.6Very high92Very high64 Ų6461.9 Ų61.928%0.27832%0.316SS..EExtended strand (participates in β ladder)trans-120.1139.2179.1-74.7167.1172-179.10109.2H149 R151 R226 H239 L240H149-K228 HydrophobicContact CB-CB 4.08Å; H149-K228 HydrophobicContact CB-CD 3.55Å; H149-K228 HydrophobicContact CB-CG 3.82Å; R151-K228 HydrophobicContact CG-CG 4.47Å; R226-K228 PolarHBondContact O-N 2.87Å; K228-H239 HydrophobicContact CB-CB 4.4Å; K228-H239 WeakPolarHBondContact CD-NE2 3.33Å; K228-L240 PolarHBondContact O-N 3.03Å; K228-L240 VanDerWaalsContact O-N 3.16Å
229L92.3Very high91.7Very high1 Ų159.8 Ų59.81%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-108.9135.6178.2-50.9-179.4000109.5M111 I113 R150 M152 V227 L240 L242 F278M111-L229 HydrophobicContact CB-CD1 3.85Å; M111-L229 HydrophobicContact CG-CD1 4.45Å; I113-L229 HydrophobicContact CB-CB 4.48Å; I113-L229 HydrophobicContact CG2-CB 3.71Å; I113-L229 HydrophobicContact CG2-CD1 4.37Å; R150-L229 PolarHBondContact O-N 3.41Å; M152-L229 HydrophobicContact CG-CD1 3.81Å; M152-L229 HydrophobicContact CG-CD2 4.39Å; M152-L229 HydrophobicContact CG-CG 4.1Å; M152-L229 HydrophobicContact SD-CD1 4.45Å; V227-L229 HydrophobicContact CG1-CD2 4.16Å; L229-L240 WeakPolarHBondContact CA-O 3.35Å; L229-L240 HydrophobicContact CD2-CB 3.98Å; L229-L240 HydrophobicContact CD2-CD1 4.23Å; L229-L242 HydrophobicContact CB-CD1 4.38Å; L229-L242 HydrophobicContact CD1-CD1 4.01Å; L229-L242 HydrophobicContact CD2-CD1 3.95Å; L229-L242 HydrophobicContact CG-CD1 4.33Å; L229-F278 HydrophobicContact CD1-CE2 4.22Å; L229-F278 HydrophobicContact CD1-CZ 4.1Å
230T91.1Very high91.5Very high0 Ų051 Ų510%027%0.273CS..EExtended strand (participates in β ladder)trans-132.8152.6-178.6-175.20000110.6T114 S232 D235 H239 L240 I241 L242T114-T230 VanDerWaalsContact O-CA 3.32Å; T114-T230 WeakPolarHBondContact O-CA 3.44Å; T114-T230 PolarHBondContact O-OG1 3.39Å; T114-T230 VanDerWaalsContact O-OG1 3.11Å; T230-S232 WeakPolarHBondContact OG1-CB 3.5Å; T230-S232 PolarHBondContact OG1-N 2.59Å; T230-S232 VanDerWaalsContact OG1-N 3.09Å; T230-D235 HydrophobicContact CG2-CB 3.9Å; T230-H239 HydrophobicContact CG2-CB 3.76Å; T230-L240 PolarHBondContact N-O 3.15Å; T230-I241 HydrophobicContact CG2-CB 4.16Å; T230-I241 HydrophobicContact CG2-CG1 3.71Å; T230-I241 HydrophobicContact CG2-CG2 4.32Å; T230-I241 WeakPolarHBondContact O-CA 3.44Å; T230-L242 PolarHBondContact O-N 2.55Å
231N90.8Very high91.3Very high54 Ų5446.8 Ų46.829%0.28925%0.254SS..  trans-101.24.9166.974.3-9.6000112.6I113 T114 K115 T233I113-N231 HydrophobicContact CD1-CB 3.6Å; I113-N231 HydrophobicContact CG1-CB 3.99Å; T114-N231 PolarHBondContact O-N 2.93Å; T114-N231 PolarHBondContact O-OD1 2.76Å; K115-N231 WeakPolarHBondContact CA-OD1 3.22Å; K115-N231 VanDerWaalsContact CB-OD1 3.27Å; K115-N231 WeakPolarHBondContact CB-OD1 3.46Å; K115-N231 PolarHBondContact N-OD1 3.47Å; K115-N231 VanDerWaalsContact N-OD1 3.17Å; N231-T233 PolarHBondContact O-N 3.48Å
232S88.9Confident91.1Very high23 Ų2345.2 Ų45.216%0.16124%0.243CC..  trans-82.5109.6178-171.70000110T230 L234 D235 I241T230-S232 WeakPolarHBondContact OG1-CB 3.5Å; T230-S232 PolarHBondContact OG1-N 2.59Å; T230-S232 VanDerWaalsContact OG1-N 3.09Å; S232-L234 PolarHBondContact O-N 2.78Å; S232-D235 WeakPolarHBondContact O-CB 3.41Å; S232-D235 PolarHBondContact O-N 2.99Å; S232-I241 WeakPolarHBondContact O-CD1 3.36Å; S232-I241 WeakPolarHBondContact O-CG1 3.43Å; S232-I241 WeakPolarHBondContact O-CG2 3.41Å
233T87.3Confident91Very high78 Ų7846 Ų4648%0.47925%0.246SC..THydrogen-bonded Turntrans-64.8-21.6178.555.30000113.3L200 N231 I241L200-T233 HydrophobicContact CD1-CG2 4.49Å; L200-T233 HydrophobicContact CD2-CG2 3.67Å; N231-T233 PolarHBondContact O-N 3.48Å; T233-I241 WeakPolarHBondContact O-CD1 3.42Å
234L85.9Confident90.9Very high150 Ų15046.1 Ų46.179%0.78525%0.247SC*.THydrogen-bonded Turntrans-105.525.3178.9-57.5177.1000112.1S232 P236S232-L234 PolarHBondContact O-N 2.78Å; L234-P236 VanDerWaalsContact O-CD 3.29Å; L234-P236 WeakPolarHBondContact O-CD 3.29Å
235D86.3Confident90.9Very high2 Ų247.4 Ų47.41%0.01125%0.254CS..  trans-59.4118.3179.5174.286.1000111.4R203 T230 S232 H237 G238 H239 I241R203-D235 PolarHBondContact NH1-O 2.96Å; R203-D235 VanDerWaalsContact NH1-O 3.07Å; R203-D235 IonicContact NH1-OD2 3.69Å; R203-D235 PolarHBondContact NH1-OD2 2.81Å; R203-D235 PolarHBondContact NH2-O 2.79Å; T230-D235 HydrophobicContact CG2-CB 3.9Å; S232-D235 WeakPolarHBondContact O-CB 3.41Å; S232-D235 PolarHBondContact O-N 2.99Å; D235-H237 VanDerWaalsContact C-N 3.31Å; D235-H237 IonicContact OD1-CD2 3.05Å; D235-H237 PolarHBondContact OD2-N 3.11Å; D235-H237 VanDerWaalsContact OD2-N 3.14Å; D235-G238 PolarHBondContact OD2-N 3Å; D235-H239 IonicContact OD1-CE1 3.37Å; D235-H239 IonicContact OD1-CG 3.74Å; D235-H239 IonicContact OD1-ND1 2.67Å; D235-H239 PolarHBondContact OD1-ND1 2.82Å; D235-H239 IonicContact OD2-CG 3.57Å; D235-H239 PolarHBondContact OD2-N 2.86Å; D235-H239 IonicContact OD2-ND1 3.1Å; D235-I241 HydrophobicContact CB-CD1 4.4Å; D235-I241 HydrophobicContact CB-CG1 4.31Å
236P86.3Confident91.1Very high109 Ų10944.2 Ų44.271%0.70824%0.239SC*.THydrogen-bonded Turntrans-83.2-9.5-178.734.2-35.7000112.8L234L234-P236 VanDerWaalsContact O-CD 3.29Å; L234-P236 WeakPolarHBondContact O-CD 3.29Å
237H85.1Confident91.4Very high130 Ų13041 Ų4160%0.60223%0.229SC*.THydrogen-bonded Turntrans-934-170.2-62.8-59.4000113.9D235 H239D235-H237 VanDerWaalsContact C-N 3.31Å; D235-H237 IonicContact OD1-CD2 3.05Å; D235-H237 PolarHBondContact OD2-N 3.11Å; D235-H237 VanDerWaalsContact OD2-N 3.14Å; H237-H239 VanDerWaalsContact C-N 3.26Å; H237-H239 WeakPolarHBondContact CB-CE1 3.34Å; H237-H239 AromaticContact CG-CE1 3.95Å; H237-H239 PolarHBondContact O-N 2.87Å
238G85.5Confident91.6Very high46 Ų4641.7 Ų41.747%0.47423%0.231SC..  trans68.821.2-179.300000113.8D235D235-G238 PolarHBondContact OD2-N 3Å
239H91.5Very high91.8Very high22 Ų2239.1 Ų39.110%0.10222%0.22CC..PPolyproline II helixtrans-67.9156.7173.1-57.9132.8000110.7H149 R203 K228 T230 D235 H237 I241H149-H239 AromaticContact CD2-CE1 3.33Å; H149-H239 PolarHBondContact CD2-CE1 2.83Å; H149-H239 AromaticContact CD2-ND1 3.36Å; H149-H239 PolarHBondContact CD2-ND1 3.18Å; H149-H239 AromaticContact CE1-CE1 3.58Å; H149-H239 AromaticContact CG-CE1 3.63Å; H149-H239 AromaticContact ND1-CE1 3.78Å; H149-H239 AromaticContact NE2-CE1 3.3Å; H149-H239 PolarHBondContact NE2-CE1 3.35Å; H149-H239 VanDerWaalsContact NE2-CE1 3.3Å; H149-H239 AromaticContact NE2-ND1 3.47Å; H149-H239 PolarHBondContact NE2-ND1 3.02Å; R203-H239 WeakPolarHBondContact CD-O 3.43Å; R203-H239 PolarHBondContact NH1-O 3.26Å; K228-H239 HydrophobicContact CB-CB 4.4Å; K228-H239 WeakPolarHBondContact CD-NE2 3.33Å; T230-H239 HydrophobicContact CG2-CB 3.76Å; D235-H239 IonicContact OD1-CE1 3.37Å; D235-H239 IonicContact OD1-CG 3.74Å; D235-H239 IonicContact OD1-ND1 2.67Å; D235-H239 PolarHBondContact OD1-ND1 2.82Å; D235-H239 IonicContact OD2-CG 3.57Å; D235-H239 PolarHBondContact OD2-N 2.86Å; D235-H239 IonicContact OD2-ND1 3.1Å; H237-H239 VanDerWaalsContact C-N 3.26Å; H237-H239 WeakPolarHBondContact CB-CE1 3.34Å; H237-H239 AromaticContact CG-CE1 3.95Å; H237-H239 PolarHBondContact O-N 2.87Å; H239-I241 PolarHBondContact O-N 3.44Å
240L93.3Very high92.1Very high6 Ų639.3 Ų39.33%0.03122%0.221CC..EExtended strand (participates in β ladder)trans-72.5116.1176.4-57.9-174.9000108.9L173 V175 R203 V227 K228 L229 T230L173-L240 HydrophobicContact CD2-CD1 4.48Å; V175-L240 HydrophobicContact CB-CD1 4.44Å; V175-L240 HydrophobicContact CG2-CD1 3.67Å; R203-L240 HydrophobicContact CB-CD2 4.02Å; R203-L240 WeakPolarHBondContact O-CD2 3.47Å; V227-L240 HydrophobicContact CG1-CD1 3.63Å; V227-L240 HydrophobicContact CG1-CG 4.23Å; K228-L240 PolarHBondContact O-N 3.03Å; K228-L240 VanDerWaalsContact O-N 3.16Å; L229-L240 WeakPolarHBondContact CA-O 3.35Å; L229-L240 HydrophobicContact CD2-CB 3.98Å; L229-L240 HydrophobicContact CD2-CD1 4.23Å; T230-L240 PolarHBondContact N-O 3.15Å
241I93Very high92.3Very high18 Ų1842 Ų429%0.09223%0.231CC..EExtended strand (participates in β ladder)trans-90.5125.4-178.1-48.2166.9000108.9L200 R203 T230 S232 T233 D235 H239L200-I241 HydrophobicContact CD1-CB 3.83Å; L200-I241 HydrophobicContact CD1-CG2 3.37Å; R203-I241 VanDerWaalsContact NE-CD1 3.34Å; T230-I241 HydrophobicContact CG2-CB 4.16Å; T230-I241 HydrophobicContact CG2-CG1 3.71Å; T230-I241 HydrophobicContact CG2-CG2 4.32Å; T230-I241 WeakPolarHBondContact O-CA 3.44Å; S232-I241 WeakPolarHBondContact O-CD1 3.36Å; S232-I241 WeakPolarHBondContact O-CG1 3.43Å; S232-I241 WeakPolarHBondContact O-CG2 3.41Å; T233-I241 WeakPolarHBondContact O-CD1 3.42Å; D235-I241 HydrophobicContact CB-CD1 4.4Å; D235-I241 HydrophobicContact CB-CG1 4.31Å; H239-I241 PolarHBondContact O-N 3.44Å
242L94.3Very high92.6Very high5 Ų539.6 Ų39.63%0.02622%0.219CC..  trans-129.3143.2178.2-53.5177.9000109.7I113 V175 L229 T230 Y248 F278I113-L242 WeakPolarHBondContact CD1-O 3.38Å; I113-L242 HydrophobicContact CG2-CB 4.5Å; I113-L242 HydrophobicContact CG2-CD1 4.42Å; V175-L242 HydrophobicContact CB-CD2 4.12Å; V175-L242 HydrophobicContact CG1-CD1 4.26Å; V175-L242 HydrophobicContact CG1-CD2 3.71Å; L229-L242 HydrophobicContact CB-CD1 4.38Å; L229-L242 HydrophobicContact CD1-CD1 4.01Å; L229-L242 HydrophobicContact CD2-CD1 3.95Å; L229-L242 HydrophobicContact CG-CD1 4.33Å; T230-L242 PolarHBondContact O-N 2.55Å; L242-Y248 HydrophobicContact CB-CE1 4.5Å; L242-Y248 HydrophobicContact CB-CE2 3.95Å; L242-Y248 HydrophobicContact CD1-CD2 4.29Å; L242-Y248 HydrophobicContact CD1-CE2 4.42Å; L242-Y248 HydrophobicContact CD2-CD1 3.81Å; L242-Y248 HydrophobicContact CD2-CD2 4.45Å; L242-Y248 HydrophobicContact CD2-CE1 3.65Å; L242-Y248 HydrophobicContact CD2-CE2 4.3Å; L242-Y248 HydrophobicContact CD2-CG 4.22Å; L242-Y248 HydrophobicContact CG-CE2 4.46Å; L242-F278 HydrophobicContact CD1-CE2 3.88Å; L242-F278 HydrophobicContact CD1-CZ 3.81Å
243H94.3Very high92.9Very high23 Ų2339.2 Ų39.211%0.10621%0.214CC..  trans-74.1139.2165.5-64-47000110.1E197 P198 H246 Y248 S280E197-H243 HydrophobicContact CB-CB 4.37Å; E197-H243 WeakPolarHBondContact CB-CD2 3.21Å; E197-H243 IonicContact OE2-CD2 3.75Å; E197-H243 IonicContact OE2-CE1 3.52Å; E197-H243 PolarHBondContact OE2-CE1 3.41Å; E197-H243 IonicContact OE2-CG 3.92Å; E197-H243 IonicContact OE2-ND1 3.17Å; E197-H243 PolarHBondContact OE2-ND1 3.21Å; E197-H243 VanDerWaalsContact OE2-ND1 3.1Å; E197-H243 IonicContact OE2-NE2 3.37Å; P198-H243 PolarHBondContact O-NE2 3.4Å; H243-H246 WeakPolarHBondContact CB-ND1 3.49Å; H243-Y248 PolarHBondContact N-OH 3.49Å; H243-Y248 WeakPolarHBondContact O-CE2 3.42Å; H243-Y248 PolarHBondContact O-OH 2.72Å; H243-S280 PolarHBondContact O-OG 2.87Å
244S95.1Very high93.2Very high24 Ų2435.5 Ų35.517%0.16819%0.192CC..THydrogen-bonded Turntrans-67.9152.3175.7-167.80000110.7H246 S280 T282S244-H246 VanDerWaalsContact C-N 3.27Å; S244-H246 PolarHBondContact O-CE1 2.98Å; S244-H246 PolarHBondContact O-N 3.44Å; S244-H246 PolarHBondContact O-ND1 3.07Å; S244-S280 WeakPolarHBondContact CA-OG 3.43Å; S244-T282 PolarHBondContact OG-N 2.8Å
245M96.6Very high93.5Very high28 Ų2829.3 Ų29.314%0.13816%0.16CC..THydrogen-bonded Turntrans64.330176.4-45-56.8-77.600113.7R182 Y183 W190 S280 V281 Q285R182-M245 HydrophobicContact CG-CB 4.26Å; Y183-M245 PolarHBondContact N-O 2.89Å; Y183-M245 WeakPolarHBondContact O-CB 3.41Å; W190-M245 HydrophobicContact CH2-CE 3.64Å; W190-M245 HydrophobicContact CH2-SD 4.25Å; W190-M245 HydrophobicContact CZ3-CE 3.46Å; W190-M245 VanDerWaalsContact CZ3-CE 3.46Å; W190-M245 HydrophobicContact CZ3-SD 4.46Å; M245-S280 WeakPolarHBondContact CA-O 3.45Å; M245-S280 PolarHBondContact N-O 2.8Å; M245-S280 PolarHBondContact N-OG 2.82Å; M245-V281 HydrophobicContact SD-CB 4.5Å; M245-V281 HydrophobicContact SD-CG1 3.97Å; M245-Q285 HydrophobicContact CE-CG 4.28Å
246H97.4Very high93.7Very high7 Ų733.4 Ų33.43%0.03218%0.175CC..EExtended strand (participates in β ladder)trans-123.4151.4176.3-67.479.4000109.8A181 A196 E197 H243 S244 Y248 I279 S280A181-H246 PolarHBondContact O-CD2 3.48Å; A196-H246 VanDerWaalsContact CA-NE2 3.29Å; A196-H246 WeakPolarHBondContact CA-NE2 3.49Å; E197-H246 PolarHBondContact N-NE2 3.42Å; E197-H246 IonicContact OE1-CE1 2.68Å; H243-H246 WeakPolarHBondContact CB-ND1 3.49Å; S244-H246 VanDerWaalsContact C-N 3.27Å; S244-H246 PolarHBondContact O-CE1 2.98Å; S244-H246 PolarHBondContact O-N 3.44Å; S244-H246 PolarHBondContact O-ND1 3.07Å; H246-Y248 HydrophobicContact CB-CD2 4.41Å; H246-Y248 HydrophobicContact CB-CE2 3.54Å; H246-Y248 VanDerWaalsContact O-CD2 3.22Å; H246-Y248 WeakPolarHBondContact O-CD2 3.33Å; H246-Y248 WeakPolarHBondContact O-CE2 3.43Å; H246-I279 WeakPolarHBondContact O-CA 3.32Å; H246-S280 PolarHBondContact O-N 2.76Å; H246-S280 PolarHBondContact O-OG 3.42Å
247K97.9Very high93.8Very high71 Ų7129.4 Ų29.431%0.30915%0.151SC..EExtended strand (participates in β ladder)trans-93.8131.5-177.5-169.1176.7177178.20110.6V178 Y183 T277 F278 I279V178-K247 HydrophobicContact CB-CB 4.26Å; V178-K247 HydrophobicContact CB-CD 4.22Å; V178-K247 HydrophobicContact CB-CG 3.98Å; V178-K247 HydrophobicContact CG1-CD 4.12Å; V178-K247 HydrophobicContact CG1-CG 4.42Å; V178-K247 HydrophobicContact CG2-CG 4Å; V178-K247 PolarHBondContact N-O 3.22Å; Y183-K247 HydrophobicContact CD2-CB 4.39Å; Y183-K247 HydrophobicContact CE2-CB 3.86Å; K247-T277 HydrophobicContact CD-CG2 4.13Å; K247-T277 HydrophobicContact CG-CG2 3.76Å; K247-F278 CarbonylContact C-O 3.56Å; K247-F278 WeakPolarHBondContact CA-O 3.4Å; K247-I279 HydrophobicContact CB-CG1 4.12Å; K247-I279 HydrophobicContact CG-CG1 4.23Å
248Y97.9Very high93.6Very high14 Ų1426.7 Ų26.76%0.05515%0.151CC..EExtended strand (participates in β ladder)trans-132.6151.1-174.7-64.5-85.2000112.7V175 I176 P177 L242 H243 H246 T277 F278 S280V175-Y248 VanDerWaalsContact CG1-CB 3.45Å; V175-Y248 HydrophobicContact CG1-CD1 3.82Å; V175-Y248 HydrophobicContact CG1-CG 3.83Å; I176-Y248 CarbonylContact O-C 3.54Å; I176-Y248 WeakPolarHBondContact O-CA 3.26Å; P177-Y248 HydrophobicContact CB-CD1 4.2Å; P177-Y248 HydrophobicContact CB-CE1 4.08Å; L242-Y248 HydrophobicContact CB-CE1 4.5Å; L242-Y248 HydrophobicContact CB-CE2 3.95Å; L242-Y248 HydrophobicContact CD1-CD2 4.29Å; L242-Y248 HydrophobicContact CD1-CE2 4.42Å; L242-Y248 HydrophobicContact CD2-CD1 3.81Å; L242-Y248 HydrophobicContact CD2-CD2 4.45Å; L242-Y248 HydrophobicContact CD2-CE1 3.65Å; L242-Y248 HydrophobicContact CD2-CE2 4.3Å; L242-Y248 HydrophobicContact CD2-CG 4.22Å; L242-Y248 HydrophobicContact CG-CE2 4.46Å; H243-Y248 PolarHBondContact N-OH 3.49Å; H243-Y248 WeakPolarHBondContact O-CE2 3.42Å; H243-Y248 PolarHBondContact O-OH 2.72Å; H246-Y248 HydrophobicContact CB-CD2 4.41Å; H246-Y248 HydrophobicContact CB-CE2 3.54Å; H246-Y248 VanDerWaalsContact O-CD2 3.22Å; H246-Y248 WeakPolarHBondContact O-CD2 3.33Å; H246-Y248 WeakPolarHBondContact O-CE2 3.43Å; Y248-T277 VanDerWaalsContact O-CA 3.32Å; Y248-T277 WeakPolarHBondContact O-CA 3.16Å; Y248-T277 WeakPolarHBondContact O-CG2 3.21Å; Y248-F278 HydrophobicContact CD2-CE2 4.26Å; Y248-F278 PolarHBondContact N-O 2.65Å; Y248-F278 PolarHBondContact O-N 2.79Å; Y248-S280 WeakPolarHBondContact CE2-OG 3.37Å
249Q97.7Very high93Very high10 Ų1026.1 Ų26.15%0.04714%0.136CC..EExtended strand (participates in β ladder)trans-119.6115.4174.7172.165.173.400109I176 V178 F273 T276 T277I176-Q249 HydrophobicContact CG1-CB 4.24Å; I176-Q249 WeakPolarHBondContact CG1-O 3.42Å; I176-Q249 PolarHBondContact N-O 3Å; I176-Q249 PolarHBondContact O-N 3.06Å; V178-Q249 HydrophobicContact CG2-CB 3.8Å; Q249-F273 PolarHBondContact NE2-O 3.35Å; Q249-T276 PolarHBondContact NE2-OG1 3.18Å; Q249-T276 VanDerWaalsContact NE2-OG1 3.11Å; Q249-T277 PolarHBondContact OE1-OG1 2.76Å
250P97.5Very high91.9Very high5 Ų530.3 Ų30.33%0.03216%0.159CC..EExtended strand (participates in β ladder)trans-60.1141.3166.4-21.531.7000111.5L173 T276 F278L173-P250 HydrophobicContact CD1-CB 4.17Å; P250-T276 WeakPolarHBondContact CD-O 3.3Å; P250-T276 WeakPolarHBondContact CG-O 3.28Å; P250-F278 HydrophobicContact CG-CD1 4.14Å; P250-F278 HydrophobicContact CG-CE1 3.85Å
251R96.7Very high90.2Very high56 Ų5635.9 Ų35.921%0.21120%0.197CC..EExtended strand (participates in β ladder)trans-135.7131.5172.4170.1-179.666.9178.58.6109.8L173 D174 H253 F271 R272L173-R251 WeakPolarHBondContact CA-O 3.28Å; D174-R251 PolarHBondContact N-O 2.9Å; D174-R251 PolarHBondContact O-N 2.92Å; D174-R251 VanDerWaalsContact OD1-CB 3.28Å; D174-R251 WeakPolarHBondContact OD1-CB 3.27Å; D174-R251 IonicContact OD1-CZ 3.64Å; D174-R251 IonicContact OD1-NE 3.49Å; D174-R251 PolarHBondContact OD1-NE 3.21Å; D174-R251 VanDerWaalsContact OD1-NE 3.14Å; D174-R251 IonicContact OD1-NH2 3.81Å; D174-R251 IonicContact OD2-CZ 3.85Å; D174-R251 IonicContact OD2-NE 3.14Å; D174-R251 IonicContact OD2-NH2 3.58Å; D174-R251 PolarHBondContact OD2-NH2 3.35Å; R251-H253 PolarHBondContact NE-CE1 3.31Å; R251-H253 PolarHBondContact NE-NE2 3.47Å; R251-F271 WeakPolarHBondContact CA-O 3.3Å; R251-R272 HydrophobicContact CB-CG 4.06Å; R251-R272 HydrophobicContact CG-CG 3.99Å
252I96.9Very high88.6Confident5 Ų536.6 Ų36.63%0.02620%0.204CC..EExtended strand (participates in β ladder)trans-101.3129-178.2-65.9169.3000107.8L93 V158 F171 L172 L173 F224 S270 F271 F273L93-I252 HydrophobicContact CD2-CB 4.48Å; L93-I252 HydrophobicContact CD2-CG2 3.83Å; V158-I252 HydrophobicContact CB-CD1 4.42Å; V158-I252 HydrophobicContact CG1-CD1 3.42Å; V158-I252 VanDerWaalsContact CG1-CD1 3.42Å; V158-I252 HydrophobicContact CG2-CD1 4.09Å; F171-I252 HydrophobicContact CD1-CG2 3.95Å; F171-I252 HydrophobicContact CE1-CG2 4.24Å; L172-I252 CarbonylContact O-C 3.41Å; L172-I252 WeakPolarHBondContact O-CA 3.39Å; L173-I252 HydrophobicContact CD1-CD1 4.38Å; L173-I252 HydrophobicContact CD1-CG1 3.49Å; L173-I252 VanDerWaalsContact CD1-CG1 3.49Å; F224-I252 HydrophobicContact CD2-CD1 4.28Å; F224-I252 HydrophobicContact CE2-CD1 3.92Å; F224-I252 HydrophobicContact CE2-CG1 4.1Å; F224-I252 HydrophobicContact CE2-CG2 4.17Å; F224-I252 HydrophobicContact CZ-CG1 4.48Å; F224-I252 HydrophobicContact CZ-CG2 4.13Å; I252-S270 CarbonylContact O-C 3.47Å; I252-S270 WeakPolarHBondContact O-CA 3.37Å; I252-F271 PolarHBondContact N-O 3.18Å; I252-F271 PolarHBondContact O-N 3.42Å; I252-F273 HydrophobicContact CD1-CE2 4.29Å
253H94.7Very high86.6Confident15 Ų1545.9 Ų45.97%0.06925%0.247CC..EExtended strand (participates in β ladder)trans-110.1138.1177.5-56.5-84.5000110.2F171 L172 D174 R251 A269 S270F171-H253 WeakPolarHBondContact CA-O 3.46Å; L172-H253 HydrophobicContact CB-CB 4.16Å; L172-H253 HydrophobicContact CD1-CB 4.13Å; L172-H253 PolarHBondContact N-O 2.98Å; L172-H253 PolarHBondContact O-N 3.14Å; D174-H253 VanDerWaalsContact CG-NE2 3.3Å; D174-H253 IonicContact OD1-CD2 2.87Å; D174-H253 IonicContact OD1-NE2 2.92Å; D174-H253 PolarHBondContact OD1-NE2 2.85Å; D174-H253 VanDerWaalsContact OD1-NE2 3.17Å; D174-H253 IonicContact OD2-NE2 3.1Å; D174-H253 PolarHBondContact OD2-NE2 3.39Å; R251-H253 PolarHBondContact NE-CE1 3.31Å; R251-H253 PolarHBondContact NE-NE2 3.47Å; H253-A269 CarbonylContact C-O 3.58Å; H253-A269 VanDerWaalsContact CA-O 3.3Å; H253-A269 WeakPolarHBondContact CA-O 3.5Å; H253-S270 PolarHBondContact CE1-OG 3.21Å; H253-S270 PolarHBondContact ND1-OG 2.92Å
254L94.3Very high84.7Confident0 Ų049.9 Ų49.90%027%0.265CS..EExtended strand (participates in β ladder)trans-117.9122.4172.2173.971.1000107.9L88 V91 L163 Y169 L170 F171 M268 A269 F271L88-L254 HydrophobicContact CD1-CD2 3.81Å; L88-L254 HydrophobicContact CD1-CG 4.21Å; V91-L254 HydrophobicContact CG1-CD2 3.64Å; L163-L254 HydrophobicContact CD2-CD1 4.36Å; L163-L254 HydrophobicContact CD2-CD2 3.47Å; L163-L254 VanDerWaalsContact CD2-CD2 3.47Å; L163-L254 HydrophobicContact CD2-CG 4.49Å; Y169-L254 HydrophobicContact CD1-CD1 3.87Å; Y169-L254 HydrophobicContact CD1-CG 4.16Å; Y169-L254 HydrophobicContact CG-CD1 4.07Å; L170-L254 WeakPolarHBondContact O-CA 3.41Å; F171-L254 HydrophobicContact CD2-CD1 3.82Å; F171-L254 HydrophobicContact CE2-CD1 3.4Å; F171-L254 HydrophobicContact CZ-CD1 3.83Å; L254-M268 CarbonylContact O-C 3.53Å; L254-M268 VanDerWaalsContact O-CA 3.29Å; L254-M268 WeakPolarHBondContact O-CA 3.4Å; L254-A269 PolarHBondContact N-O 3.33Å; L254-A269 PolarHBondContact O-N 2.97Å; L254-F271 HydrophobicContact CB-CE2 4.31Å
255V91.9Very high82.7Confident19 Ų1959 Ų5912%0.11530%0.297CS..EExtended strand (participates in β ladder)trans-125.7127.1-178.6-175.50000109.4Y169 L170 L172 A257 L260 G267 M268Y169-V255 CarbonylContact C-O 3.49Å; Y169-V255 VanDerWaalsContact CA-O 3.23Å; Y169-V255 WeakPolarHBondContact CA-O 3.33Å; L170-V255 HydrophobicContact CB-CB 4.49Å; L170-V255 PolarHBondContact N-O 3.47Å; L170-V255 PolarHBondContact O-N 3.06Å; L172-V255 HydrophobicContact CD1-CB 4.42Å; L172-V255 HydrophobicContact CD1-CG2 3.74Å; V255-A257 PolarHBondContact O-N 2.93Å; V255-L260 HydrophobicContact CG1-CD1 3.72Å; V255-L260 HydrophobicContact CG1-CG 4.02Å; V255-G267 WeakPolarHBondContact CA-O 3.24Å; V255-M268 HydrophobicContact CG2-CB 4.07Å; V255-M268 HydrophobicContact CG2-CG 3.85Å; V255-M268 HydrophobicContact CG2-SD 4.25Å
256R90.8Very high80.7Confident88 Ų8860.4 Ų60.433%0.33232%0.317SS..EExtended strand (participates in β ladder)trans-73.1127.6171.3-160.3179.8-174.9175.25109.4D164 A167 Y169 A258 Q259 G267D164-R256 IonicContact OD2-NH2 3.89Å; D164-R256 PolarHBondContact OD2-NH2 2.8Å; A167-R256 HydrophobicContact CB-CG 4.46Å; Y169-R256 HydrophobicContact CD1-CB 3.99Å; Y169-R256 HydrophobicContact CD1-CG 4.14Å; Y169-R256 HydrophobicContact CE1-CB 3.88Å; Y169-R256 HydrophobicContact CE1-CG 3.79Å; R256-A258 VanDerWaalsContact C-N 3.31Å; R256-A258 PolarHBondContact O-N 2.95Å; R256-Q259 HydrophobicContact CB-CG 4.38Å; R256-Q259 PolarHBondContact O-N 3.33Å; R256-G267 PolarHBondContact N-O 3.36Å; R256-G267 VanDerWaalsContact N-O 3.15Å
257A87.9Confident79.2Confident25 Ų2560.2 Ų60.221%0.20732%0.318CS..Hα-helixtrans-59-40.3-174.100000112.9R168 L170 V255 Q259 L260R168-A257 HydrophobicContact CB-CB 3.81Å; R168-A257 WeakPolarHBondContact O-CB 3.41Å; R168-A257 PolarHBondContact O-N 3.16Å; L170-A257 HydrophobicContact CD1-CB 3.91Å; V255-A257 PolarHBondContact O-N 2.93Å; A257-Q259 PolarHBondContact O-N 2.84Å; A257-Q259 VanDerWaalsContact O-N 3.11Å; A257-L260 PolarHBondContact O-N 3.01Å; A257-L260 VanDerWaalsContact O-N 3.15Å
258A80.5Confident78.4Confident73 Ų7359.9 Ų59.960%0.60332%0.318SS*.Hα-helixtrans-59.6-24.4178.600000113.3R256R256-A258 VanDerWaalsContact C-N 3.31Å; R256-A258 PolarHBondContact O-N 2.95Å
259Q72.6Confident78Confident34 Ų3459.2 Ų59.216%0.15932%0.315CS..Hα-helixtrans-88.4-14.1-177.4-67.7173.8-63.400113.4R256 A257 C261 S262 G266 G267R256-Q259 HydrophobicContact CB-CG 4.38Å; R256-Q259 PolarHBondContact O-N 3.33Å; A257-Q259 PolarHBondContact O-N 2.84Å; A257-Q259 VanDerWaalsContact O-N 3.11Å; Q259-C261 PolarHBondContact O-N 3.14Å; Q259-S262 VanDerWaalsContact CA-OG 3.25Å; Q259-S262 WeakPolarHBondContact CA-OG 3.17Å; Q259-S262 PolarHBondContact O-N 3.07Å; Q259-S262 PolarHBondContact O-OG 3.17Å; Q259-G266 PolarHBondContact NE2-O 2.87Å; Q259-G266 VanDerWaalsContact NE2-O 3.12Å; Q259-G267 PolarHBondContact OE1-O 3.1Å
260L68.6Low77.7Confident110 Ų11059 Ų5958%0.57632%0.315SS*.Hα-helixtrans-65.7-27.6170.5-83.6130.8000112.4L170 V255 A257 S262L170-L260 HydrophobicContact CD1-CD1 3.39Å; L170-L260 HydrophobicContact CD2-CD1 4.33Å; L170-L260 HydrophobicContact CG-CD1 4.49Å; V255-L260 HydrophobicContact CG1-CD1 3.72Å; V255-L260 HydrophobicContact CG1-CG 4.02Å; A257-L260 PolarHBondContact O-N 3.01Å; A257-L260 VanDerWaalsContact O-N 3.15Å; L260-S262 VanDerWaalsContact C-N 3.33Å
261C57.8Low77.6Confident124 Ų12459.1 Ų59.184%0.83832%0.315SS*.THydrogen-bonded Turntrans-84.7-10.4177.1-590000112.9Q259Q259-C261 PolarHBondContact O-N 3.14Å
262S59.8Low77.5Confident33 Ų3359.5 Ų59.523%0.23132%0.316CS..SBendtrans-105.6137.3-177.4680000110.5Q259 L260 H264Q259-S262 VanDerWaalsContact CA-OG 3.25Å; Q259-S262 WeakPolarHBondContact CA-OG 3.17Å; Q259-S262 PolarHBondContact O-N 3.07Å; Q259-S262 PolarHBondContact O-OG 3.17Å; L260-S262 VanDerWaalsContact C-N 3.33Å; S262-H264 WeakPolarHBondContact CB-CE1 3.35Å; S262-H264 VanDerWaalsContact CB-ND1 3.33Å; S262-H264 WeakPolarHBondContact CB-ND1 3.33Å; S262-H264 PolarHBondContact O-N 2.93Å; S262-H264 PolarHBondContact OG-CE1 3.1Å; S262-H264 PolarHBondContact OG-ND1 3.37Å; S262-H264 VanDerWaalsContact OG-ND1 3.13Å; S262-H264 PolarHBondContact OG-NE2 3.47Å
263Q52.8Low77.6Confident199 Ų19959.9 Ų59.993%0.9332%0.318SS*.SBendtrans-65.2-1.2-177.9-130.6153.8-24.800114.5
264H52.9Low77.7Confident107 Ų10763.1 Ų63.150%0.49534%0.34SS..  trans-95.4119.6176.765.1-95.3000110.8S262 G266S262-H264 WeakPolarHBondContact CB-CE1 3.35Å; S262-H264 VanDerWaalsContact CB-ND1 3.33Å; S262-H264 WeakPolarHBondContact CB-ND1 3.33Å; S262-H264 PolarHBondContact O-N 2.93Å; S262-H264 PolarHBondContact OG-CE1 3.1Å; S262-H264 PolarHBondContact OG-ND1 3.37Å; S262-H264 VanDerWaalsContact OG-ND1 3.13Å; S262-H264 PolarHBondContact OG-NE2 3.47Å; H264-G266 PolarHBondContact O-N 3.43Å
265W53.4Low77.8Confident217 Ų21763.9 Ų63.982%0.82234%0.344SS*.  trans-6815174.6-61.285.7000113.9G267W265-G267 VanDerWaalsContact C-N 3.29Å; W265-G267 PolarHBondContact O-N 3.22Å; W265-G267 VanDerWaalsContact O-N 3.12Å
266G54.7Low78.1Confident56 Ų5663 Ų6358%0.57734%0.339SS*.THydrogen-bonded Turntrans-81.523.8-165.400000116.4Q259 H264Q259-G266 PolarHBondContact NE2-O 2.87Å; Q259-G266 VanDerWaalsContact NE2-O 3.12Å; H264-G266 PolarHBondContact O-N 3.43Å
267G65.5Low78.5Confident4 Ų460.2 Ų60.24%0.04133%0.331CS..THydrogen-bonded Turntrans-161.846.8166.500000115.3V255 R256 Q259 W265V255-G267 WeakPolarHBondContact CA-O 3.24Å; R256-G267 PolarHBondContact N-O 3.36Å; R256-G267 VanDerWaalsContact N-O 3.15Å; Q259-G267 PolarHBondContact OE1-O 3.1Å; W265-G267 VanDerWaalsContact C-N 3.29Å; W265-G267 PolarHBondContact O-N 3.22Å; W265-G267 VanDerWaalsContact O-N 3.12Å
268M81.8Confident79Confident63 Ų6359.1 Ų59.131%0.3132%0.322SS..EExtended strand (participates in β ladder)trans-97.1128.7151.7178170.464.200108.7H86 L254 V255H86-M268 VanDerWaalsContact CB-O 3.27Å; H86-M268 WeakPolarHBondContact CB-O 3.38Å; L254-M268 CarbonylContact O-C 3.53Å; L254-M268 VanDerWaalsContact O-CA 3.29Å; L254-M268 WeakPolarHBondContact O-CA 3.4Å; V255-M268 HydrophobicContact CG2-CB 4.07Å; V255-M268 HydrophobicContact CG2-CG 3.85Å; V255-M268 HydrophobicContact CG2-SD 4.25Å
269A88.5Confident79.8Confident0 Ų056.3 Ų56.30%030%0.296CS..EExtended strand (participates in β ladder)trans-111.6140.1166.600000110.5H86 L88 H253 L254 F271H86-A269 WeakPolarHBondContact O-CA 3.43Å; H86-A269 WeakPolarHBondContact O-CB 3.16Å; L88-A269 HydrophobicContact CB-CB 4.42Å; L88-A269 HydrophobicContact CD1-CB 4.18Å; L88-A269 HydrophobicContact CG-CB 4.13Å; H253-A269 CarbonylContact C-O 3.58Å; H253-A269 VanDerWaalsContact CA-O 3.3Å; H253-A269 WeakPolarHBondContact CA-O 3.5Å; L254-A269 PolarHBondContact N-O 3.33Å; L254-A269 PolarHBondContact O-N 2.97Å; A269-F271 HydrophobicContact CB-CE2 3.53Å; A269-F271 HydrophobicContact CB-CZ 3.79Å
270S92.3Very high81Confident5 Ų554.7 Ų54.74%0.03529%0.289CS..EExtended strand (participates in β ladder)trans-124.9128.2-176.5-56.30000110.6I252 H253I252-S270 CarbonylContact O-C 3.47Å; I252-S270 WeakPolarHBondContact O-CA 3.37Å; H253-S270 PolarHBondContact CE1-OG 3.21Å; H253-S270 PolarHBondContact ND1-OG 2.92Å
271F94.8Very high82.3Confident9 Ų949.4 Ų49.44%0.03926%0.261CS..EExtended strand (participates in β ladder)trans-122.4134.2-173.5-58-92000110.6A84 V91 L93 R251 I252 L254 A269A84-F271 HydrophobicContact CB-CE1 4.47Å; V91-F271 HydrophobicContact CG1-CZ 4.39Å; L93-F271 HydrophobicContact CB-CD1 3.97Å; L93-F271 HydrophobicContact CB-CD2 4.46Å; L93-F271 HydrophobicContact CB-CE1 4.28Å; L93-F271 HydrophobicContact CB-CG 4.07Å; L93-F271 HydrophobicContact CD1-CD1 4.4Å; L93-F271 HydrophobicContact CD1-CD2 3.93Å; L93-F271 HydrophobicContact CD1-CE1 4.07Å; L93-F271 HydrophobicContact CD1-CE2 3.56Å; L93-F271 HydrophobicContact CD1-CG 4.34Å; L93-F271 HydrophobicContact CD1-CZ 3.64Å; L93-F271 HydrophobicContact CD2-CB 4.21Å; L93-F271 HydrophobicContact CD2-CD2 3.62Å; L93-F271 HydrophobicContact CD2-CE2 4.12Å; L93-F271 HydrophobicContact CD2-CG 3.87Å; L93-F271 HydrophobicContact CG-CD2 4.22Å; L93-F271 HydrophobicContact CG-CE2 4.34Å; L93-F271 HydrophobicContact CG-CG 4.32Å; R251-F271 WeakPolarHBondContact CA-O 3.3Å; I252-F271 PolarHBondContact N-O 3.18Å; I252-F271 PolarHBondContact O-N 3.42Å; L254-F271 HydrophobicContact CB-CE2 4.31Å; A269-F271 HydrophobicContact CB-CE2 3.53Å; A269-F271 HydrophobicContact CB-CZ 3.79Å
272R96.1Very high84Confident63 Ų6346.2 Ų46.224%0.23824%0.238CC..EExtended strand (participates in β ladder)trans-124.1137.6177.3-58.8175.681.2176.71.3108.8P82 I176 R251P82-R272 WeakPolarHBondContact CB-O 3.41Å; I176-R272 VanDerWaalsContact CD1-NH2 3.27Å; R251-R272 HydrophobicContact CB-CG 4.06Å; R251-R272 HydrophobicContact CG-CG 3.99Å
273F97.3Very high85.4Confident14 Ų1445.3 Ų45.36%0.06123%0.232CC..  trans-116.3105173.5-61.5-76.9000107.5P82 L93 L95 V158 Q249 I252 E275 T276P82-F273 HydrophobicContact CB-CE1 4.43Å; L93-F273 HydrophobicContact CB-CZ 4.22Å; L95-F273 HydrophobicContact CB-CD1 3.71Å; L95-F273 HydrophobicContact CB-CD2 4.34Å; L95-F273 HydrophobicContact CB-CE1 3.78Å; L95-F273 HydrophobicContact CB-CE2 4.4Å; L95-F273 HydrophobicContact CB-CG 3.99Å; L95-F273 HydrophobicContact CB-CZ 4.13Å; L95-F273 HydrophobicContact CD1-CD2 4.18Å; L95-F273 HydrophobicContact CD1-CG 4.37Å; L95-F273 HydrophobicContact CD2-CB 4.06Å; L95-F273 HydrophobicContact CD2-CD1 4.46Å; L95-F273 HydrophobicContact CD2-CG 4.2Å; L95-F273 HydrophobicContact CG-CG 4.43Å; V158-F273 HydrophobicContact CG1-CE2 3.72Å; V158-F273 HydrophobicContact CG1-CZ 4.13Å; Q249-F273 PolarHBondContact NE2-O 3.35Å; I252-F273 HydrophobicContact CD1-CE2 4.29Å; F273-E275 PolarHBondContact O-N 3.32Å; F273-E275 VanDerWaalsContact O-N 3.16Å; F273-T276 HydrophobicContact CB-CG2 3.73Å; F273-T276 WeakPolarHBondContact O-CB 3.36Å; F273-T276 PolarHBondContact O-N 3.12Å; F273-T276 PolarHBondContact O-OG1 3.13Å
274P97.3Very high87.4Confident82 Ų8238.8 Ų38.853%0.53220%0.2SC..G310 helixtrans-52.4-37.7-174.5-29.435.9000114T276 T277P274-T276 PolarHBondContact O-N 3.4Å; P274-T276 VanDerWaalsContact O-N 3.15Å; P274-T277 VanDerWaalsContact O-CB 3.27Å; P274-T277 WeakPolarHBondContact O-CB 3.31Å; P274-T277 PolarHBondContact O-N 2.96Å; P274-T277 VanDerWaalsContact O-N 3.08Å; P274-T277 PolarHBondContact O-OG1 3.43Å
275E97.4Very high89.4Confident16 Ų1636.2 Ų36.28%0.07519%0.188CC..G310 helixtrans-63.1-18.3177.959.8-93.1-115.300113.8L95 R98 W101 K102 F273 T277L95-E275 HydrophobicContact CD2-CG 3.79Å; R98-E275 WeakPolarHBondContact CG-OE1 3.06Å; R98-E275 IonicContact CZ-OE1 3.23Å; R98-E275 IonicContact NE-OE1 3.38Å; R98-E275 PolarHBondContact NE-OE1 3.25Å; R98-E275 IonicContact NH2-OE1 2.74Å; R98-E275 PolarHBondContact NH2-OE1 2.96Å; W101-E275 HydrophobicContact CB-CB 4.48Å; W101-E275 HydrophobicContact CB-CG 4.04Å; K102-E275 HydrophobicContact CG-CB 4.42Å; F273-E275 PolarHBondContact O-N 3.32Å; F273-E275 VanDerWaalsContact O-N 3.16Å; E275-T277 VanDerWaalsContact C-N 3.27Å; E275-T277 PolarHBondContact O-N 3.37Å
276T98.3Very high91.3Very high2 Ų226.1 Ų26.11%0.01215%0.15CC..G310 helixtrans-84.70.217766.70000113.5L95 W101 Q249 P250 F273 P274L95-T276 HydrophobicContact CD1-CG2 4.04Å; L95-T276 HydrophobicContact CD2-CG2 3.64Å; W101-T276 HydrophobicContact CD2-CG2 3.84Å; W101-T276 HydrophobicContact CE3-CG2 3.97Å; W101-T276 HydrophobicContact CG-CG2 4.3Å; W101-T276 HydrophobicContact CH2-CG2 4.33Å; W101-T276 HydrophobicContact CZ2-CG2 4.22Å; W101-T276 HydrophobicContact CZ3-CG2 4.21Å; Q249-T276 PolarHBondContact NE2-OG1 3.18Å; Q249-T276 VanDerWaalsContact NE2-OG1 3.11Å; P250-T276 WeakPolarHBondContact CD-O 3.3Å; P250-T276 WeakPolarHBondContact CG-O 3.28Å; F273-T276 HydrophobicContact CB-CG2 3.73Å; F273-T276 WeakPolarHBondContact O-CB 3.36Å; F273-T276 PolarHBondContact O-N 3.12Å; F273-T276 PolarHBondContact O-OG1 3.13Å; P274-T276 PolarHBondContact O-N 3.4Å; P274-T276 VanDerWaalsContact O-N 3.15Å
277T98.3Very high93.1Very high28 Ų2827.3 Ų27.317%0.17215%0.148CC..  trans-59138.9172.5-63.60000111T109 V178 K247 Y248 Q249 P274 E275T109-T277 WeakPolarHBondContact CB-O 3.29Å; T109-T277 PolarHBondContact OG1-O 3.38Å; V178-T277 HydrophobicContact CG2-CG2 4.09Å; K247-T277 HydrophobicContact CD-CG2 4.13Å; K247-T277 HydrophobicContact CG-CG2 3.76Å; Y248-T277 VanDerWaalsContact O-CA 3.32Å; Y248-T277 WeakPolarHBondContact O-CA 3.16Å; Y248-T277 WeakPolarHBondContact O-CG2 3.21Å; Q249-T277 PolarHBondContact OE1-OG1 2.76Å; P274-T277 VanDerWaalsContact O-CB 3.27Å; P274-T277 WeakPolarHBondContact O-CB 3.31Å; P274-T277 PolarHBondContact O-N 2.96Å; P274-T277 VanDerWaalsContact O-N 3.08Å; P274-T277 PolarHBondContact O-OG1 3.43Å; E275-T277 VanDerWaalsContact C-N 3.27Å; E275-T277 PolarHBondContact O-N 3.37Å
278F98.5Very high94.4Very high3 Ų332.4 Ų32.41%0.01317%0.17CC..EExtended strand (participates in β ladder)trans-146.5161.9179.667.7-93000112.6T109 M111 V175 L229 L242 K247 Y248 P250T109-F278 HydrophobicContact CG2-CB 3.71Å; T109-F278 CarbonylContact O-C 3.56Å; T109-F278 VanDerWaalsContact O-CA 3.28Å; T109-F278 WeakPolarHBondContact O-CA 3.33Å; T109-F278 WeakPolarHBondContact O-CB 3.36Å; M111-F278 HydrophobicContact CB-CD2 3.49Å; M111-F278 VanDerWaalsContact CB-CD2 3.49Å; M111-F278 HydrophobicContact CB-CE2 3.68Å; M111-F278 HydrophobicContact CB-CG 4.13Å; M111-F278 HydrophobicContact CB-CZ 4.45Å; M111-F278 HydrophobicContact CG-CB 3.82Å; M111-F278 HydrophobicContact CG-CD1 3.92Å; M111-F278 HydrophobicContact CG-CD2 3.31Å; M111-F278 HydrophobicContact CG-CE1 4.3Å; M111-F278 HydrophobicContact CG-CE2 3.76Å; M111-F278 HydrophobicContact CG-CG 3.4Å; M111-F278 VanDerWaalsContact CG-CG 3.4Å; M111-F278 HydrophobicContact CG-CZ 4.23Å; V175-F278 HydrophobicContact CG1-CE1 4.25Å; V175-F278 HydrophobicContact CG1-CZ 3.97Å; L229-F278 HydrophobicContact CD1-CE2 4.22Å; L229-F278 HydrophobicContact CD1-CZ 4.1Å; L242-F278 HydrophobicContact CD1-CE2 3.88Å; L242-F278 HydrophobicContact CD1-CZ 3.81Å; K247-F278 CarbonylContact C-O 3.56Å; K247-F278 WeakPolarHBondContact CA-O 3.4Å; Y248-F278 HydrophobicContact CD2-CE2 4.26Å; Y248-F278 PolarHBondContact N-O 2.65Å; Y248-F278 PolarHBondContact O-N 2.79Å; P250-F278 HydrophobicContact CG-CD1 4.14Å; P250-F278 HydrophobicContact CG-CE1 3.85Å
279I98.2Very high95Very high13 Ų1329.4 Ų29.47%0.06716%0.156CC..EExtended strand (participates in β ladder)trans-100.6128166.2-65.3173.4000108.7T109 E110 M111 Y183 W190 H246 K247 V281T109-I279 PolarHBondContact O-N 2.86Å; E110-I279 WeakPolarHBondContact CA-O 3.28Å; M111-I279 PolarHBondContact N-O 2.82Å; Y183-I279 HydrophobicContact CD1-CD1 4.43Å; Y183-I279 HydrophobicContact CG-CD1 4.26Å; W190-I279 HydrophobicContact CB-CD1 4.04Å; W190-I279 HydrophobicContact CD2-CD1 3.42Å; W190-I279 VanDerWaalsContact CD2-CD1 3.42Å; W190-I279 HydrophobicContact CE3-CD1 3.84Å; W190-I279 HydrophobicContact CG-CD1 3.52Å; W190-I279 HydrophobicContact CH2-CG2 3.72Å; W190-I279 HydrophobicContact CZ2-CB 4.32Å; W190-I279 HydrophobicContact CZ2-CD1 4.31Å; W190-I279 HydrophobicContact CZ2-CG2 3.99Å; W190-I279 HydrophobicContact CZ3-CD1 4.38Å; W190-I279 HydrophobicContact CZ3-CG2 4.02Å; H246-I279 WeakPolarHBondContact O-CA 3.32Å; K247-I279 HydrophobicContact CB-CG1 4.12Å; K247-I279 HydrophobicContact CG-CG1 4.23Å; I279-V281 HydrophobicContact CG2-CG1 4.18Å
280S96.7Very high95.1Very high0 Ų031.6 Ų31.60%017%0.169CC..EExtended strand (participates in β ladder)trans-73.2139.7173.861.40000109.7M111 H243 S244 M245 H246 Y248M111-S280 CarbonylContact O-C 3.59Å; M111-S280 WeakPolarHBondContact O-CA 3.22Å; H243-S280 PolarHBondContact O-OG 2.87Å; S244-S280 WeakPolarHBondContact CA-OG 3.43Å; M245-S280 WeakPolarHBondContact CA-O 3.45Å; M245-S280 PolarHBondContact N-O 2.8Å; M245-S280 PolarHBondContact N-OG 2.82Å; H246-S280 PolarHBondContact O-N 2.76Å; H246-S280 PolarHBondContact O-OG 3.42Å; Y248-S280 WeakPolarHBondContact CE2-OG 3.37Å
281V96.1Very high95Very high0 Ų037.7 Ų37.70%020%0.197CC..EExtended strand (participates in β ladder)trans-144.2151.4179.7-63.80000110E110 M111 I112 I113 W190 M245 I279 A283 Y284 Q285E110-V281 HydrophobicContact CB-CG2 3.98Å; E110-V281 HydrophobicContact CG-CG1 4.48Å; M111-V281 PolarHBondContact O-N 2.85Å; I112-V281 CarbonylContact C-O 3.5Å; I112-V281 WeakPolarHBondContact CA-O 3.45Å; I112-V281 HydrophobicContact CD1-CG2 3.9Å; I113-V281 PolarHBondContact N-O 2.82Å; W190-V281 HydrophobicContact CH2-CG1 3.8Å; W190-V281 HydrophobicContact CZ2-CG1 4.1Å; M245-V281 HydrophobicContact SD-CB 4.5Å; M245-V281 HydrophobicContact SD-CG1 3.97Å; I279-V281 HydrophobicContact CG2-CG1 4.18Å; V281-A283 WeakPolarHBondContact CB-O 3.4Å; V281-A283 WeakPolarHBondContact CG2-O 3.46Å; V281-Y284 HydrophobicContact CG2-CD1 4.5Å; V281-Q285 HydrophobicContact CG1-CG 4.11Å
282T92.8Very high95Very high57 Ų5738.5 Ų38.535%0.3520%0.202SC..SBendtrans-82.1-22.6170.251.10000112I113 V124 S244I113-T282 HydrophobicContact CG1-CG2 4.26Å; V124-T282 WeakPolarHBondContact CG1-O 3.37Å; S244-T282 PolarHBondContact OG-N 2.8Å
283A90.3Very high94.8Very high13 Ų1335.9 Ų35.911%0.10719%0.192CC..SBendtrans-150.9149.9172.400000109.9Y128 V281 Q285Y128-A283 HydrophobicContact CD2-CB 3.61Å; Y128-A283 HydrophobicContact CE2-CB 3.12Å; V281-A283 WeakPolarHBondContact CB-O 3.4Å; V281-A283 WeakPolarHBondContact CG2-O 3.46Å; A283-Q285 PolarHBondContact O-N 3.49Å; A283-Q285 PolarHBondContact O-NE2 3.16Å
284Y93.9Very high94.4Very high63 Ų6337.5 Ų37.525%0.24720%0.201CC..  trans-59.7137.3-178.5-65.7-59.1000111.5E110 I112 Y128 V281 I289 T290 K293E110-Y284 HydrophobicContact CB-CD1 4.01Å; E110-Y284 HydrophobicContact CB-CE1 4.32Å; E110-Y284 WeakPolarHBondContact OE2-CA 3.12Å; E110-Y284 WeakPolarHBondContact OE2-CD1 3.27Å; I112-Y284 HydrophobicContact CD1-CD1 3.9Å; I112-Y284 HydrophobicContact CD1-CD2 4.07Å; I112-Y284 HydrophobicContact CD1-CE1 3.88Å; I112-Y284 HydrophobicContact CD1-CE2 4.06Å; I112-Y284 HydrophobicContact CD1-CG 3.98Å; I112-Y284 HydrophobicContact CG1-CD1 4.27Å; I112-Y284 HydrophobicContact CG1-CD2 4.49Å; I112-Y284 HydrophobicContact CG1-CE1 3.72Å; I112-Y284 HydrophobicContact CG1-CE2 3.98Å; Y128-Y284 PolarHBondContact OH-O 2.97Å; V281-Y284 HydrophobicContact CG2-CD1 4.5Å; Y284-I289 HydrophobicContact CD1-CG2 4.01Å; Y284-I289 HydrophobicContact CE1-CG2 4.09Å; Y284-T290 VanDerWaalsContact CB-OG1 3.26Å; Y284-T290 WeakPolarHBondContact CB-OG1 3.36Å; Y284-T290 HydrophobicContact CD2-CG2 4.49Å; Y284-K293 HydrophobicContact CE1-CD 4.39Å; Y284-K293 HydrophobicContact CE1-CG 4.15Å; Y284-K293 HydrophobicContact CE2-CG 4.35Å; Y284-K293 WeakPolarHBondContact OH-CD 3.31Å; Y284-K293 WeakPolarHBondContact OH-CG 3.37Å
285Q95.1Very high94Very high53 Ų5336.5 Ų36.525%0.24820%0.2CC..  trans-102.2-47.6-179.9-57.2-60.6-57.600110.9E110 W185 W190 M245 V281 A283 P287E110-Q285 PolarHBondContact OE2-N 2.56Å; W185-Q285 HydrophobicContact CB-CB 3.6Å; W185-Q285 HydrophobicContact CB-CG 4.12Å; W185-Q285 HydrophobicContact CD2-CB 4.38Å; W185-Q285 HydrophobicContact CG-CB 3.7Å; W185-Q285 PolarHBondContact NE1-O 3.17Å; W190-Q285 HydrophobicContact CH2-CB 4.11Å; W190-Q285 HydrophobicContact CH2-CG 3.63Å; W190-Q285 HydrophobicContact CZ2-CB 3.94Å; W190-Q285 HydrophobicContact CZ2-CG 3.92Å; M245-Q285 HydrophobicContact CE-CG 4.28Å; V281-Q285 HydrophobicContact CG1-CG 4.11Å; A283-Q285 PolarHBondContact O-N 3.49Å; A283-Q285 PolarHBondContact O-NE2 3.16Å; Q285-P287 WeakPolarHBondContact O-CD 3.37Å
286N93.4Very high93.6Very high5 Ų537.5 Ų37.53%0.02721%0.21CC..  trans-84.4118.2176.9-173.3-10.8000111.2V107 E110 W185 Q288 I289 T290V107-N286 WeakPolarHBondContact CG1-ND2 3.38Å; V107-N286 PolarHBondContact O-ND2 3.4Å; E110-N286 VanDerWaalsContact OE1-CB 3.28Å; E110-N286 WeakPolarHBondContact OE1-CB 2.96Å; E110-N286 PolarHBondContact OE1-N 3.17Å; W185-N286 HydrophobicContact CH2-CB 3.82Å; W185-N286 WeakPolarHBondContact CH2-ND2 3.37Å; W185-N286 HydrophobicContact CZ2-CB 3.73Å; W185-N286 HydrophobicContact CZ3-CB 4.25Å; N286-Q288 PolarHBondContact O-N 3.12Å; N286-Q288 WeakPolarHBondContact OD1-CB 3.36Å; N286-Q288 PolarHBondContact OD1-N 2.99Å; N286-I289 HydrophobicContact CB-CB 4.44Å; N286-I289 HydrophobicContact CB-CG1 4.02Å; N286-I289 PolarHBondContact O-N 3.32Å; N286-T290 PolarHBondContact O-N 3.18Å
287P91.9Very high93.2Very high81 Ų8138.8 Ų38.853%0.52622%0.217SC..Hα-helixtrans-59.7-30.6176.6-23.834.8000113.9Q285 I289 T290 Q291Q285-P287 WeakPolarHBondContact O-CD 3.37Å; P287-I289 VanDerWaalsContact C-N 3.34Å; P287-I289 PolarHBondContact O-N 2.89Å; P287-T290 WeakPolarHBondContact O-CB 3.47Å; P287-T290 PolarHBondContact O-N 3.11Å; P287-T290 VanDerWaalsContact O-N 3.13Å; P287-Q291 WeakPolarHBondContact O-CG 3.29Å; P287-Q291 PolarHBondContact O-N 3.26Å
288Q94.4Very high92.7Very high111 Ų11141.8 Ų41.852%0.51924%0.237SC..Hα-helixtrans-63.8-41177.8-65.8178.9-45.500111.2V107 N286 T290 Q291 L292V107-Q288 HydrophobicContact CG1-CB 3.59Å; N286-Q288 PolarHBondContact O-N 3.12Å; N286-Q288 WeakPolarHBondContact OD1-CB 3.36Å; N286-Q288 PolarHBondContact OD1-N 2.99Å; Q288-T290 VanDerWaalsContact C-N 3.3Å; Q288-T290 PolarHBondContact O-N 3.37Å; Q288-Q291 PolarHBondContact O-N 2.67Å; Q288-L292 WeakPolarHBondContact O-CG 3.24Å; Q288-L292 PolarHBondContact O-N 3.06Å
289I93.8Very high91.8Very high0 Ų050.4 Ų50.40%028%0.275CS..Hα-helixtrans-60.5-44.1172.8-64.1-65.6000110F104 V107 G108 E110 Y284 N286 P287 Q291 L292 K293F104-I289 HydrophobicContact CD1-CD1 4.05Å; F104-I289 HydrophobicContact CE1-CG2 4.42Å; V107-I289 HydrophobicContact CB-CD1 3.82Å; V107-I289 HydrophobicContact CG1-CD1 3.65Å; V107-I289 HydrophobicContact CG1-CG1 3.88Å; G108-I289 WeakPolarHBondContact O-CD1 3.5Å; E110-I289 HydrophobicContact CB-CG2 4.09Å; E110-I289 HydrophobicContact CG-CG1 4.3Å; E110-I289 HydrophobicContact CG-CG2 4.46Å; Y284-I289 HydrophobicContact CD1-CG2 4.01Å; Y284-I289 HydrophobicContact CE1-CG2 4.09Å; N286-I289 HydrophobicContact CB-CB 4.44Å; N286-I289 HydrophobicContact CB-CG1 4.02Å; N286-I289 PolarHBondContact O-N 3.32Å; P287-I289 VanDerWaalsContact C-N 3.34Å; P287-I289 PolarHBondContact O-N 2.89Å; I289-Q291 VanDerWaalsContact C-N 3.31Å; I289-Q291 PolarHBondContact O-N 3.09Å; I289-L292 PolarHBondContact O-N 3.32Å; I289-K293 HydrophobicContact CG2-CG 4.08Å; I289-K293 WeakPolarHBondContact O-CG 3.49Å; I289-K293 PolarHBondContact O-N 3.15Å
290T91.3Very high91.1Very high46 Ų4650.5 Ų50.528%0.28228%0.277SS..Hα-helixtrans-58.3-44.5177.9-58.50000111.6Y284 N286 P287 Q288 K293 I294Y284-T290 VanDerWaalsContact CB-OG1 3.26Å; Y284-T290 WeakPolarHBondContact CB-OG1 3.36Å; Y284-T290 HydrophobicContact CD2-CG2 4.49Å; N286-T290 PolarHBondContact O-N 3.18Å; P287-T290 WeakPolarHBondContact O-CB 3.47Å; P287-T290 PolarHBondContact O-N 3.11Å; P287-T290 VanDerWaalsContact O-N 3.13Å; Q288-T290 VanDerWaalsContact C-N 3.3Å; Q288-T290 PolarHBondContact O-N 3.37Å; T290-K293 PolarHBondContact O-N 3.27Å; T290-I294 HydrophobicContact CG2-CD1 3.98Å; T290-I294 VanDerWaalsContact O-CG1 3.31Å; T290-I294 WeakPolarHBondContact O-CG1 3.23Å; T290-I294 PolarHBondContact O-N 3.42Å
291Q90.3Very high90.1Very high132 Ų13257.4 Ų57.462%0.61731%0.307SS*.Hα-helixtrans-62-46.5176.1-70.1176.1-6.200111.9P287 Q288 I289 K293 I294 A295P287-Q291 WeakPolarHBondContact O-CG 3.29Å; P287-Q291 PolarHBondContact O-N 3.26Å; Q288-Q291 PolarHBondContact O-N 2.67Å; I289-Q291 VanDerWaalsContact C-N 3.31Å; I289-Q291 PolarHBondContact O-N 3.09Å; Q291-K293 VanDerWaalsContact C-N 3.34Å; Q291-K293 PolarHBondContact O-N 3.31Å; Q291-I294 PolarHBondContact O-N 3.4Å; Q291-I294 VanDerWaalsContact O-N 3.15Å; Q291-A295 WeakPolarHBondContact O-CB 3.17Å; Q291-A295 PolarHBondContact O-N 3.07Å
292L92.9Very high89.1Confident27 Ų2759.9 Ų59.914%0.14133%0.333CS..Hα-helixtrans-59.5-42.6175.7-71.7176.8000112.1E103 F104 V107 Q288 I289 I294 A295 A296E103-L292 HydrophobicContact CG-CD1 4.2Å; E103-L292 HydrophobicContact CG-CD2 3.97Å; E103-L292 WeakPolarHBondContact OE1-CD2 3.39Å; F104-L292 HydrophobicContact CD1-CB 4.36Å; F104-L292 HydrophobicContact CD1-CD1 4.38Å; F104-L292 HydrophobicContact CE1-CB 3.64Å; F104-L292 HydrophobicContact CE1-CD1 4.47Å; F104-L292 HydrophobicContact CZ-CB 3.77Å; V107-L292 HydrophobicContact CB-CD1 4.42Å; V107-L292 HydrophobicContact CG2-CD1 4.05Å; Q288-L292 WeakPolarHBondContact O-CG 3.24Å; Q288-L292 PolarHBondContact O-N 3.06Å; I289-L292 PolarHBondContact O-N 3.32Å; L292-I294 PolarHBondContact O-N 3.1Å; L292-A295 PolarHBondContact O-N 2.84Å; L292-A296 WeakPolarHBondContact O-CB 3.43Å; L292-A296 PolarHBondContact O-N 3.16Å
293K93Very high88.3Confident8 Ų861.5 Ų61.54%0.03534%0.335CS..Hα-helixtrans-61.5-43.7175.2-61.9-76.5-178164.50110.8F104 E110 F153 Y284 I289 T290 Q291 N297F104-K293 HydrophobicContact CE1-CD 3.64Å; F104-K293 HydrophobicContact CE1-CG 3.94Å; F104-K293 HydrophobicContact CZ-CD 3.93Å; F104-K293 HydrophobicContact CZ-CG 4.35Å; E110-K293 WeakPolarHBondContact O-CE 3.47Å; E110-K293 PolarHBondContact O-NZ 3.09Å; F153-K293 HydrophobicContact CD1-CD 3.71Å; F153-K293 PolarHBondContact O-NZ 2.9Å; Y284-K293 HydrophobicContact CE1-CD 4.39Å; Y284-K293 HydrophobicContact CE1-CG 4.15Å; Y284-K293 HydrophobicContact CE2-CG 4.35Å; Y284-K293 WeakPolarHBondContact OH-CD 3.31Å; Y284-K293 WeakPolarHBondContact OH-CG 3.37Å; I289-K293 HydrophobicContact CG2-CG 4.08Å; I289-K293 WeakPolarHBondContact O-CG 3.49Å; I289-K293 PolarHBondContact O-N 3.15Å; T290-K293 PolarHBondContact O-N 3.27Å; Q291-K293 VanDerWaalsContact C-N 3.34Å; Q291-K293 PolarHBondContact O-N 3.31Å; K293-N297 WeakPolarHBondContact O-CA 3.35Å; K293-N297 WeakPolarHBondContact O-CB 3.33Å; K293-N297 PolarHBondContact O-N 3.31Å
294I88.1Confident88Confident47 Ų4764.7 Ų64.724%0.24135%0.345CS..Hα-helixtrans-64.4-43.7178.6-69.5166000111.1T290 Q291 L292 F303 R304T290-I294 HydrophobicContact CG2-CD1 3.98Å; T290-I294 VanDerWaalsContact O-CG1 3.31Å; T290-I294 WeakPolarHBondContact O-CG1 3.23Å; T290-I294 PolarHBondContact O-N 3.42Å; Q291-I294 PolarHBondContact O-N 3.4Å; Q291-I294 VanDerWaalsContact O-N 3.15Å; L292-I294 PolarHBondContact O-N 3.1Å; I294-F303 HydrophobicContact CD1-CB 4.18Å; I294-F303 HydrophobicContact CG1-CB 4.15Å; I294-F303 HydrophobicContact CG2-CB 3.89Å; I294-R304 HydrophobicContact CG2-CG 3.87Å; I294-R304 PolarHBondContact O-NE 3.02Å
295A89.2Confident86.7Confident62 Ų6268.2 Ų68.251%0.51236%0.363SS..Hα-helixtrans-67.8-46.6-178.300000112.2Q291 L292 R304Q291-A295 WeakPolarHBondContact O-CB 3.17Å; Q291-A295 PolarHBondContact O-N 3.07Å; L292-A295 PolarHBondContact O-N 2.84Å; A295-R304 PolarHBondContact O-NE 3.45Å; A295-R304 PolarHBondContact O-NH2 2.97Å
296A89.4Confident85Confident36 Ų3671.9 Ų71.930%0.29838%0.384SS..Hα-helixtrans-91-33.1-172.200000113.8L100 F153 L292 P298L100-A296 HydrophobicContact CD1-CB 3.87Å; L100-A296 HydrophobicContact CD2-CB 4.49Å; F153-A296 HydrophobicContact CE1-CB 3.88Å; F153-A296 VanDerWaalsContact CZ-C 3.49Å; F153-A296 HydrophobicContact CZ-CB 3.79Å; L292-A296 WeakPolarHBondContact O-CB 3.43Å; L292-A296 PolarHBondContact O-N 3.16Å; A296-P298 VanDerWaalsContact O-CD 3.3Å; A296-P298 WeakPolarHBondContact O-CD 3.36Å
297N89.3Confident83.3Confident30 Ų3072.6 Ų72.616%0.1639%0.393CS..  trans-78.2119.9-174.8-170.9-16.6000111.4F153 K293 F299 A300 R304F153-N297 HydrophobicContact CD1-CB 4.15Å; F153-N297 HydrophobicContact CD2-CB 3.91Å; F153-N297 HydrophobicContact CE1-CB 3.91Å; F153-N297 HydrophobicContact CE2-CB 3.67Å; F153-N297 HydrophobicContact CG-CB 4.16Å; F153-N297 HydrophobicContact CZ-CB 3.67Å; K293-N297 WeakPolarHBondContact O-CA 3.35Å; K293-N297 WeakPolarHBondContact O-CB 3.33Å; K293-N297 PolarHBondContact O-N 3.31Å; N297-F299 PolarHBondContact O-N 2.78Å; N297-F299 WeakPolarHBondContact OD1-CD2 3.43Å; N297-F299 PolarHBondContact OD1-N 3.09Å; N297-A300 HydrophobicContact CB-CB 4.09Å; N297-A300 PolarHBondContact O-N 3.09Å; N297-R304 PolarHBondContact O-NH2 2.8Å; N297-R304 VanDerWaalsContact O-NH2 3.07Å
298P87.3Confident81.5Confident91 Ų9175.3 Ų75.359%0.59139%0.393SS*.G310 helixtrans-57.9-33.2177.5-25.736000113.5A296 A300 K301A296-P298 VanDerWaalsContact O-CD 3.3Å; A296-P298 WeakPolarHBondContact O-CD 3.36Å; P298-A300 PolarHBondContact O-N 3.38Å; P298-K301 WeakPolarHBondContact O-CB 3.44Å; P298-K301 PolarHBondContact O-N 3.31Å
299F80.9Confident79.6Confident184 Ų18474.7 Ų74.781%0.80739%0.393SS*.G310 helixtrans-74.2-10.3179.2-60.4-74.9000113.4N297N297-F299 PolarHBondContact O-N 2.78Å; N297-F299 WeakPolarHBondContact OD1-CD2 3.43Å; N297-F299 PolarHBondContact OD1-N 3.09Å
300A83.4Confident77.8Confident14 Ų1478.4 Ų78.412%0.11642%0.419CS..G310 helixtrans-100.58175.800000113.1N297 P298 G302 F303N297-A300 HydrophobicContact CB-CB 4.09Å; N297-A300 PolarHBondContact O-N 3.09Å; P298-A300 PolarHBondContact O-N 3.38Å; A300-G302 PolarHBondContact O-N 3.15Å; A300-G302 VanDerWaalsContact O-N 3.08Å; A300-F303 HydrophobicContact CB-CD2 4.48Å; A300-F303 PolarHBondContact O-N 2.92Å
301K75.6Confident76.3Confident145 Ų14582.4 Ų82.463%0.6343%0.432SS*.G310 helixtrans-52.6-34.8-176.6-174.4177.8179.7179.70113.7P298 F303 R304P298-K301 WeakPolarHBondContact O-CB 3.44Å; P298-K301 PolarHBondContact O-N 3.31Å; K301-F303 PolarHBondContact O-N 3.23Å; K301-R304 WeakPolarHBondContact O-CB 3.14Å; K301-R304 WeakPolarHBondContact O-CG 3.49Å; K301-R304 PolarHBondContact O-N 3.05Å
302G75.9Confident75Confident52 Ų5285 Ų8554%0.53644%0.436SS..G310 helixtrans-64.1-20.9179.900000115.1A300A300-G302 PolarHBondContact O-N 3.15Å; A300-G302 VanDerWaalsContact O-N 3.08Å
303F74.3Confident73.5Confident91 Ų9190 Ų9040%0.39946%0.459SS..G310 helixtrans-90.7-11.1178.9-60.5-79.8000113.2W129 I294 A300 K301W129-F303 AromaticContact CH2-CD1 3.87Å; W129-F303 HydrophobicContact CH2-CD1 3.87Å; W129-F303 AromaticContact CH2-CE1 3.55Å; W129-F303 HydrophobicContact CH2-CE1 3.55Å; W129-F303 HydrophobicContact CZ2-CE1 4.43Å; W129-F303 AromaticContact CZ3-CD1 3.98Å; W129-F303 HydrophobicContact CZ3-CD1 3.98Å; W129-F303 AromaticContact CZ3-CE1 3.67Å; W129-F303 HydrophobicContact CZ3-CE1 3.67Å; I294-F303 HydrophobicContact CD1-CB 4.18Å; I294-F303 HydrophobicContact CG1-CB 4.15Å; I294-F303 HydrophobicContact CG2-CB 3.89Å; A300-F303 HydrophobicContact CB-CD2 4.48Å; A300-F303 PolarHBondContact O-N 2.92Å; K301-F303 PolarHBondContact O-N 3.23Å
304R84.6Confident72.2Confident81 Ų8198.6 Ų98.631%0.30649%0.491SS..SBendtrans-63.5149.6172.9-57.8179.2-169.7177.55.2108.9I294 A295 N297 K301 N306 G307 R308I294-R304 HydrophobicContact CG2-CG 3.87Å; I294-R304 PolarHBondContact O-NE 3.02Å; A295-R304 PolarHBondContact O-NE 3.45Å; A295-R304 PolarHBondContact O-NH2 2.97Å; N297-R304 PolarHBondContact O-NH2 2.8Å; N297-R304 VanDerWaalsContact O-NH2 3.07Å; K301-R304 WeakPolarHBondContact O-CB 3.14Å; K301-R304 WeakPolarHBondContact O-CG 3.49Å; K301-R304 PolarHBondContact O-N 3.05Å; R304-N306 PolarHBondContact O-N 3.08Å; R304-N306 VanDerWaalsContact O-N 3.14Å; R304-G307 WeakPolarHBondContact O-CA 3.35Å; R304-G307 PolarHBondContact O-N 3.5Å; R304-R308 PolarHBondContact O-N 3.36Å
305E67.5Low71.5Confident136 Ų136100.5 Ų100.564%0.63650%0.502SS*.Hα-helixtrans-54.3-37.8-174.2-153.3147.6-130.500112.4G307 R308E305-G307 PolarHBondContact O-N 3.15Å; E305-R308 PolarHBondContact O-N 2.87Å
306N58.9Low70.7Confident130 Ų130100 Ų10070%0.69550%0.497SS*.Hα-helixtrans-68.7-29.2175.5-55.139.4000113.3R304 N309 C310R304-N306 PolarHBondContact O-N 3.08Å; R304-N306 VanDerWaalsContact O-N 3.14Å; N306-N309 PolarHBondContact O-N 2.87Å; N306-C310 PolarHBondContact O-N 3.33Å; N306-C310 VanDerWaalsContact O-N 3.1Å; N306-C310 PolarHBondContact O-SG 3.47Å; N306-C310 VanDerWaalsContact O-SG 3.32Å
307G56.6Low69.9Low21 Ų21106.4 Ų106.422%0.21651%0.514CS..Hα-helixtrans-71.7-32178.100000113.3R304 E305 N309 C310 K311R304-G307 WeakPolarHBondContact O-CA 3.35Å; R304-G307 PolarHBondContact O-N 3.5Å; E305-G307 PolarHBondContact O-N 3.15Å; G307-N309 VanDerWaalsContact C-N 3.33Å; G307-C310 PolarHBondContact O-N 2.87Å; G307-K311 PolarHBondContact O-N 3.49Å
308R55.5Low69.3Low138 Ų138108.6 Ų108.652%0.52153%0.528SS..Hα-helixtrans-66.3-36.6172.4-69.4-176.6-107.1146.8-0.1111.5R304 E305 R312R304-R308 PolarHBondContact O-N 3.36Å; E305-R308 PolarHBondContact O-N 2.87Å; R308-R312 PolarHBondContact O-N 3.36Å
309N53.3Low68.7Low97 Ų97110.7 Ų110.752%0.51953%0.528SS..Hα-helixtrans-68.2-41.4173.1-84.5-12.2000112.2N306 G307 K311 R312 E313N306-N309 PolarHBondContact O-N 2.87Å; G307-N309 VanDerWaalsContact C-N 3.33Å; N309-K311 VanDerWaalsContact C-N 3.28Å; N309-K311 PolarHBondContact O-N 3.3Å; N309-R312 PolarHBondContact O-N 3.32Å; N309-E313 WeakPolarHBondContact O-CB 3.41Å; N309-E313 PolarHBondContact O-N 3.06Å
310C56.5Low68.4Low79 Ų79111.2 Ų111.253%0.53453%0.525SS..Hα-helixtrans-60.5-33.9177.5-65.70000113.8N306 G307 R314N306-C310 PolarHBondContact O-N 3.33Å; N306-C310 VanDerWaalsContact O-N 3.1Å; N306-C310 PolarHBondContact O-SG 3.47Å; N306-C310 VanDerWaalsContact O-SG 3.32Å; G307-C310 PolarHBondContact O-N 2.87Å; C310-R314 WeakPolarHBondContact O-CB 3.48Å; C310-R314 PolarHBondContact O-N 3.05Å
311K60.5Low67.7Low129 Ų129118.6 Ų118.656%0.56155%0.554SS**Hα-helixtrans-70.4-49.3174.3-174178.2176.4-178.60111.2G307 N309 E313 R314 D315G307-K311 PolarHBondContact O-N 3.49Å; N309-K311 VanDerWaalsContact C-N 3.28Å; N309-K311 PolarHBondContact O-N 3.3Å; K311-E313 VanDerWaalsContact C-N 3.28Å; K311-E313 PolarHBondContact O-N 2.81Å; K311-R314 PolarHBondContact O-N 3.21Å; K311-D315 WeakPolarHBondContact O-CB 3.11Å; K311-D315 PolarHBondContact O-N 3.27Å
312R62.4Low67.4Low187 Ų187118.6 Ų118.671%0.70656%0.56SS**Hα-helixtrans-60.7-38177.1-74.2-179.9174.8-175.9-2.1112.4R308 N309 D315 A316R308-R312 PolarHBondContact O-N 3.36Å; N309-R312 PolarHBondContact O-N 3.32Å; R312-D315 PolarHBondContact O-N 3.12Å; R312-A316 VanDerWaalsContact O-CB 3.22Å; R312-A316 WeakPolarHBondContact O-CB 3.36Å; R312-A316 PolarHBondContact O-N 2.87Å
313E61.4Low66.7Low133 Ų133124.5 Ų124.562%0.62157%0.566SS**Hα-helixtrans-73-39.3178.6-169.9179.1-174.800111.7N309 K311 A316 R317N309-E313 WeakPolarHBondContact O-CB 3.41Å; N309-E313 PolarHBondContact O-N 3.06Å; K311-E313 VanDerWaalsContact C-N 3.28Å; K311-E313 PolarHBondContact O-N 2.81Å; E313-A316 PolarHBondContact O-N 3.07Å; E313-R317 VanDerWaalsContact O-CB 3.24Å; E313-R317 WeakPolarHBondContact O-CB 3.33Å; E313-R317 PolarHBondContact O-N 3.06Å
314R66.8Low65.9Low187 Ų187122.4 Ų122.471%0.70657%0.57SS**Hα-helixtrans-61.1-45.8170.1-178.4177.5178.9151.70.3111.1C310 K311 R317 V318C310-R314 WeakPolarHBondContact O-CB 3.48Å; C310-R314 PolarHBondContact O-N 3.05Å; K311-R314 PolarHBondContact O-N 3.21Å; R314-R317 PolarHBondContact O-N 3.35Å; R314-V318 WeakPolarHBondContact O-CB 3.22Å; R314-V318 VanDerWaalsContact O-CG2 3.26Å; R314-V318 WeakPolarHBondContact O-CG2 3.41Å; R314-V318 PolarHBondContact O-N 2.84Å
315D72.3Confident64.5Low87 Ų87125 Ų12547%0.46560%0.597SS.*Hα-helixtrans-65.7-39.8177.9-66.4-17.9000111K311 R312 V318 K319K311-D315 WeakPolarHBondContact O-CB 3.11Å; K311-D315 PolarHBondContact O-N 3.27Å; R312-D315 PolarHBondContact O-N 3.12Å; D315-V318 PolarHBondContact O-N 2.79Å; D315-K319 VanDerWaalsContact O-CB 3.26Å; D315-K319 WeakPolarHBondContact O-CB 3.28Å; D315-K319 PolarHBondContact O-N 3.03Å
316A71.9Confident63.7Low51 Ų51126.3 Ų126.342%0.42160%0.604SS.*Hα-helixtrans-65.4-3917400000112.6R312 E313 K319 R320R312-A316 VanDerWaalsContact O-CB 3.22Å; R312-A316 WeakPolarHBondContact O-CB 3.36Å; R312-A316 PolarHBondContact O-N 2.87Å; E313-A316 PolarHBondContact O-N 3.07Å; A316-K319 PolarHBondContact O-N 3.44Å; A316-R320 WeakPolarHBondContact O-CB 3.25Å; A316-R320 PolarHBondContact O-N 3.28Å
317R73.6Confident63.2Low172 Ų172125 Ų12565%0.64960%0.602SS**Hα-helixtrans-69.8-37.3177.1-167.9174.9-176.2-172.30.5111.8E313 R314 R320 K321E313-R317 VanDerWaalsContact O-CB 3.24Å; E313-R317 WeakPolarHBondContact O-CB 3.33Å; E313-R317 PolarHBondContact O-N 3.06Å; R314-R317 PolarHBondContact O-N 3.35Å; R317-R320 PolarHBondContact O-N 3.15Å; R317-K321 PolarHBondContact O-N 3.14Å
318V75.8Confident62.6Low75 Ų75129.1 Ų129.146%0.45563%0.634SS.*Hα-helixtrans-66-44171.7169.90000110.4R314 D315 R320 K321 L322R314-V318 WeakPolarHBondContact O-CB 3.22Å; R314-V318 VanDerWaalsContact O-CG2 3.26Å; R314-V318 WeakPolarHBondContact O-CG2 3.41Å; R314-V318 PolarHBondContact O-N 2.84Å; D315-V318 PolarHBondContact O-N 2.79Å; V318-R320 VanDerWaalsContact C-N 3.3Å; V318-R320 PolarHBondContact O-N 3.05Å; V318-K321 PolarHBondContact O-N 2.92Å; V318-K321 VanDerWaalsContact O-N 3.14Å; V318-L322 HydrophobicContact CG1-CD1 3.92Å; V318-L322 PolarHBondContact O-N 3.11Å
319K74.6Confident62.3Low135 Ų135127 Ų12759%0.58765%0.646SS**Hα-helixtrans-64.8-32.7177.1-158.4171.7-173.1177.80112.5D315 A316 R323D315-K319 VanDerWaalsContact O-CB 3.26Å; D315-K319 WeakPolarHBondContact O-CB 3.28Å; D315-K319 PolarHBondContact O-N 3.03Å; A316-K319 PolarHBondContact O-N 3.44Å; K319-R323 WeakPolarHBondContact O-CB 3.29Å; K319-R323 PolarHBondContact O-N 3.13Å
320R74.9Confident61.6Low196 Ų196129.1 Ų129.174%0.7466%0.663SS**Hα-helixtrans-74.1-29.7172.9-167.4-176.4-66.8158.5-1.2112.9A316 R317 V318A316-R320 WeakPolarHBondContact O-CB 3.25Å; A316-R320 PolarHBondContact O-N 3.28Å; R317-R320 PolarHBondContact O-N 3.15Å; V318-R320 VanDerWaalsContact C-N 3.3Å; V318-R320 PolarHBondContact O-N 3.05Å
321K69.9Low60.7Low169 Ų169134.4 Ų134.474%0.73568%0.68SS**Hα-helixtrans-75.3-29.3172.4-78.9-172.7173.4-1620113.1R317 V318R317-K321 PolarHBondContact O-N 3.14Å; V318-K321 PolarHBondContact O-N 2.92Å; V318-K321 VanDerWaalsContact O-N 3.14Å
322L68.8Low59.7Low145 Ų145132.7 Ų132.776%0.75969%0.69SS**Hα-helixtrans-79.6-28174.9-75.2162.4000112.7V318 G324V318-L322 HydrophobicContact CG1-CD1 3.92Å; V318-L322 PolarHBondContact O-N 3.11Å; L322-G324 PolarHBondContact O-N 2.88Å
323R61.7Low58.3Low176 Ų176134.7 Ų134.766%0.66470%0.699SS**SBendtrans-83.786.6169.8-149.2-172.9-61.2-108.910.5107.3K319K319-R323 WeakPolarHBondContact O-CB 3.29Å; K319-R323 PolarHBondContact O-N 3.13Å
324G57.6Low56.8Low47 Ų47131.8 Ų131.849%0.48570%0.704SS.*PPolyproline II helixtrans-55.3171.4175.200000112.8L322 E326L322-G324 PolarHBondContact O-N 2.88Å; G324-E326 PolarHBondContact O-N 3.21Å; G324-E326 VanDerWaalsContact O-N 3.14Å
325P53.9Low55.4Low134 Ų134128.7 Ų128.787%0.8771%0.712SS**PPolyproline II helixtrans-59.4121.1179.626.8-32.6000109.3
326E50.1Low53.4Low165 Ų165128 Ų12877%0.77173%0.725SS**PPolyproline II helixtrans-59.9136.1173.2-95.8-83.8139.800109.5G324 A328G324-E326 PolarHBondContact O-N 3.21Å; G324-E326 VanDerWaalsContact O-N 3.14Å; E326-A328 PolarHBondContact O-N 3.39Å
327P48.6Very low51.5Low101 Ų101133.7 Ų133.766%0.65675%0.748SS**PPolyproline II helixtrans-69.5130.9172.528.9-30000109.2A329P327-A329 PolarHBondContact O-N 2.91Å
328A44.7Very low49.6Very low108 Ų108131.7 Ų131.789%0.89376%0.755SS**  trans-58.4106.8170.100000109.3E326E326-A328 PolarHBondContact O-N 3.39Å
329A49.3Very low48.3Very low94 Ų94134.3 Ų134.378%0.77777%0.774SS**  trans-92.4110.6165.500000108.1P327P327-A329 PolarHBondContact O-N 2.91Å
330T38.3Very low46.1Very low141 Ų141131.7 Ų131.787%0.86579%0.785SS**  trans-149116.6148.6-30.80000109.4
331E37.6Very low44.1Very low190 Ų190125.8 Ų125.889%0.88879%0.785SS**  trans-67155.1174.4-62.1-163.4149.800112.1
332A38.9Very low42.9Very low93 Ų93123.3 Ų123.377%0.76979%0.786SS**  trans-84.3142.4173.300000111.6
333Y33.7Very low41.3Very low230 Ų230122 Ų12290%0.90279%0.788SS**  149.8130.2120-146.5-95.8000112
334G30.7Very low39.7Very low71 Ų71120.8 Ų120.873%0.73280%0.795SS**  trans152.683.7167.900000114.9
335S35.6Very low38.6Very low123 Ų123123.2 Ų123.286%0.8680%0.804SS**  trans-60.2151.7172.7-67.80000114.8
336G30.7Very low37.7Very low72 Ų72122 Ų12274%0.74280%0.795SS**  trans156.2102152.200000116.3
337D31.7Very low37.1Very low170 Ų170122.3 Ų122.391%0.90980%0.8SS**  trans77.6126.1157.1-71.1-19.2000123.4
338T35.2Very low36.2Very low131 Ų131121.4 Ų121.480%0.80481%0.81SS**  trans-98.9-173.6172.248.90000109
339P47.3Very low35.4Very low129 Ų129120 Ų12084%0.83881%0.806SS**  cis-135.6165.7-2.131.2-9.1000115.6
340G29.2Very low34.7Very low80 Ų80122.8 Ų122.883%0.82581%0.808SS**  trans17960.9167.500000115
341G31.7Very low34.6Very low72 Ų72123.8 Ų123.874%0.74281%0.806SS**  trans-79.2-179.2152.700000110.5
342P46.3Very low34.4Very low118 Ų118124.4 Ų124.477%0.76680%0.8SS**  cis-131.7140.136.117.68000114.5
343C34.6Very low34.2Very low116 Ų116127 Ų12778%0.78480%0.797SS**  34.2130.9103.677.60000118.2
344D28.2Very low34Very low152 Ų152121.7 Ų121.781%0.81379%0.793SS**  -162.8149.5110.4-151.81.5000113.1
345S35.1Very low34.2Very low98 Ų98125.8 Ų125.869%0.68580%0.798SS**  trans-88.9172.4-176.7-49.40000109.4
346T35Very low34.8Very low109 Ų109124.9 Ų124.967%0.66979%0.789SS**  159.4155.980-44.10000108.8
347L37.2Very low34.9Very low170 Ų170128.3 Ų128.389%0.8979%0.786SS**  trans83.1130.7157.3-49174.7000116.9
348G28.4Very low34.9Very low83 Ų83128 Ų12886%0.85678%0.779SS**  cis137.8133.711.500000108.8
349G29.6Very low34.8Very low79 Ų79125.9 Ų125.981%0.81478%0.775SS**  trans152.4107.7168.500000116.7
350D33.3Very low34.2Very low152 Ų152125.9 Ų125.981%0.81378%0.775SS**  trans-69.5161.7-174.9-62-71.9000117.5
351I35.8Very low34.5Very low162 Ų162126.5 Ų126.583%0.83177%0.772SS**  -175.6105.5114.6-83.4154000111
352R35.2Very low35Very low202 Ų202129.3 Ų129.376%0.76278%0.778SS**  trans32.8118.6132.7-54.4-172.483.2164.34.5120.6
353E33Very low34.3Very low149 Ų149127.4 Ų127.470%0.69678%0.779SS**  78.911489.8-123.5-179.5150.600112.6
354S31.2Very low34.2Very low118 Ų118131.5 Ų131.583%0.82579%0.787SS**  -171.813687.1-500000112.4
355D34.3Very low34.3Very low156 Ų156128.4 Ų128.483%0.83478%0.782SS**  trans-97.2173.5153.7-112.1-28.8000107.5
356P48.9Very low33.9Very low104 Ų104130.6 Ų130.668%0.67579%0.792SS**  cis-156.2-179.741.142.2-18.3000119.3
357E31.6Very low33.6Very low145 Ų145129.7 Ų129.768%0.67880%0.795SS**  trans80.8119.3137.1-112.8175.5112.200124.8
358Q31.3Very low33.3Very low163 Ų163126.2 Ų126.276%0.76279%0.791SS**  103119.7123.3-138.4137.567.200120.8
359A33.3Very low33.7Very low86 Ų86128.2 Ų128.271%0.71179%0.789SS**  trans-82.9161.2160.700000111.4
360P35.2Very low33.9Very low129 Ų129128.6 Ų128.684%0.83879%0.785SS**  trans-131.4158134.332.6-18.5000113.9
361A36Very low33.9Very low94 Ų94127.6 Ų127.678%0.77779%0.786SS**  trans-79.3177.5178.500000112.1
362P41.3Very low33.6Very low131 Ų131127.6 Ų127.685%0.85179%0.787SS**PPolyproline II helixtrans-85.8145.2-157.335.3-33.6000113.9
363G32.3Very low33.3Very low78 Ų78124.4 Ų124.480%0.80479%0.794SS**PPolyproline II helixtrans-97.3134.8170.400000112.5
364E31.8Very low32.9Very low202 Ų202121.4 Ų121.494%0.94480%0.803SS**PPolyproline II helixtrans-58.2138.2164.7-76.6168.610600112.1
365A30.6Very low32.8Very low86 Ų86119.1 Ų119.171%0.71180%0.798SS**  trans-165105.3147.300000111.9
366T27.3Very low32.9Very low145 Ų145118 Ų11889%0.8980%0.8SS**  67.5137.3126.1-13.70000121.8
367A28.3Very low32Very low90 Ų90116.9 Ų116.974%0.74479%0.794SS**  trans-86.5161.4-172.700000115.6
368A30.1Very low32Very low96 Ų96114.6 Ų114.679%0.79380%0.8SS**  trans84.6157.9151.100000118.8
369P36.9Very low32Very low126 Ų126113.9 Ų113.982%0.81880%0.797SS**  cis-127.4166.90.534.6-15.6000115.9
370A34.5Very low31.9Very low87 Ų87113.9 Ų113.972%0.71980%0.796SS**PPolyproline II helixtrans-72.3158.5167.400000112.5
371P33.4Very low31.9Very low130 Ų130118.1 Ų118.184%0.84480%0.797SS**PPolyproline II helixtrans-90.5126.6152.915.41.7000110.7
372L28.2Very low32Very low163 Ų163120.7 Ų120.785%0.85380%0.797SS**PPolyproline II helixtrans-96.8145164.3-85.4162.6000109.7
373C29.1Very low31.6Very low135 Ų135121.9 Ų121.991%0.91280%0.795SS**  trans138.1116.9157.6-79.90000107.6
374G25.7Very low31.4Very low85 Ų85126.1 Ų126.188%0.87679%0.794SS**  cis117.3100.128.100000107.9
375G29.5Very low31.6Very low71 Ų71123.2 Ų123.273%0.73279%0.793SS**  trans164.5144.3176.500000112.2
376P35.1Very low31.7Very low133 Ų133122.5 Ų122.586%0.86479%0.787SS**  -85151.2-125.130.5-35.1000115.9A378P376-A378 PolarHBondContact O-N 3.46Å
377S30Very low32Very low80 Ų80119.7 Ų119.756%0.55978%0.778SS**  trans-42.7122.9170.5-178.90000113.7E379S377-E379 PolarHBondContact O-N 3.49Å; S377-E379 WeakPolarHBondContact OG-CB 3.36Å; S377-E379 WeakPolarHBondContact OG-CG 3.2Å; S377-E379 PolarHBondContact OG-N 3.37Å; S377-E379 VanDerWaalsContact OG-N 3.09Å
378A32.5Very low32.4Very low96 Ų96124.4 Ų124.479%0.79378%0.782SS**THydrogen-bonded Turntrans-80.126164.500000112.3P376 A380P376-A378 PolarHBondContact O-N 3.46Å; A378-A380 VanDerWaalsContact C-N 3.34Å
379E31Very low32.6Very low149 Ų149128.6 Ų128.670%0.69679%0.785SS**THydrogen-bonded Turntrans-85.7-0.7172.3-67.5-168.6131.800113.8S377 Y381S377-E379 PolarHBondContact O-N 3.49Å; S377-E379 WeakPolarHBondContact OG-CB 3.36Å; S377-E379 WeakPolarHBondContact OG-CG 3.2Å; S377-E379 PolarHBondContact OG-N 3.37Å; S377-E379 VanDerWaalsContact OG-N 3.09Å; E379-Y381 VanDerWaalsContact C-N 3.3Å; E379-Y381 PolarHBondContact O-N 3.32Å
380A31.5Very low32.3Very low85 Ų85126.7 Ų126.770%0.70279%0.788SS**THydrogen-bonded Turntrans-78.7-2.7-178.500000115.4A378A378-A380 VanDerWaalsContact C-N 3.34Å
381Y34.8Very low32.2Very low218 Ų218126.9 Ų126.986%0.85579%0.79SS**THydrogen-bonded Turntrans-106.77.2179.5-73.6-74.4000114.8E379E379-Y381 VanDerWaalsContact C-N 3.3Å; E379-Y381 PolarHBondContact O-N 3.32Å
382L37.5Very low32.2Very low149 Ų149126.7 Ų126.778%0.7879%0.789SS**  trans-100.925-178.4-70.6178.5000114.8
383L32.7Very low32.6Very low155 Ų155124 Ų12481%0.81278%0.784SS**  trans-127.975176.2-73.9167.3000111.9
384H28.9Very low32.8Very low167 Ų167126.7 Ų126.777%0.77378%0.783SS**  trans175.7112.7133.7-115.4-81.3000112.2A386H384-A386 PolarHBondContact O-N 3.25Å
385P35.5Very low33.1Very low141 Ų141130.9 Ų130.992%0.91678%0.784SS**  trans-95.636.7171.428.1-17.2000113.6
386A33.5Very low33.4Very low72 Ų72133 Ų13360%0.59579%0.785SS**  trans-119.125-175.200000115.3H384H384-A386 PolarHBondContact O-N 3.25Å
387A33.1Very low33.3Very low85 Ų85133.4 Ų133.470%0.70279%0.785SS**  trans-112.238177.400000113.2
388F36.8Very low33.2Very low189 Ų189141 Ų14183%0.82980%0.801SS**  trans-142.655.2170.2-81.8-78.6000111.5
389H34.8Very low33Very low184 Ų184140.9 Ų140.985%0.85280%0.795SS**  trans-133.4113156.6-71.6-66.4000108A391H389-A391 PolarHBondContact O-N 3.09Å
390G31Very low33.2Very low86 Ų86140 Ų14089%0.88780%0.802SS**  trans-61.8125.8167.600000109.1
391A31Very low33.1Very low92 Ų92140.7 Ų140.776%0.7680%0.802SS**  trans-106.4139.2166.200000108.8H389H389-A391 PolarHBondContact O-N 3.09Å
392P34.9Very low33Very low126 Ų126140.5 Ų140.582%0.81881%0.806SS**  trans-75.1148.9176.131.5-32.5000111.1
393S35.6Very low33.3Very low107 Ų107139 Ų13975%0.74881%0.805SS**  trans-57.2123.2175.339.90000113.7
394H33.3Very low33.2Very low191 Ų191140.5 Ų140.588%0.88481%0.808SS**  trans-159.7109.2144.8-97-77.5000109.1
395L33.1Very low33.5Very low173 Ų173137 Ų13791%0.90681%0.807SS**  trans-89.1136.9167.6-76.5165000109.2
396P35.4Very low34.1Very low115 Ų115135.3 Ų135.375%0.74780%0.797SS**  trans-104.9128.2148.928.6-16.3000110.3
397T32.9Very low34Very low142 Ų142139.2 Ų139.287%0.87181%0.808SS**  trans-48.2128.3166.3-40.80000111.2
398R27.4Very low34.1Very low239 Ų239141.1 Ų141.190%0.90282%0.816SS**  trans-143116.8158.9-166.6172.4173.4-179.4-2.5110.8
399S28.9Very low33.8Very low93 Ų93135.7 Ų135.765%0.6581%0.813SS**  trans-52.6145.4173.9-37.70000112.7
400P34.9Very low33.6Very low132 Ų132139 Ų13986%0.85782%0.818SS**  trans-88.4129.516733.8-26.8000109.4
401S29.8Very low33.6Very low99 Ų99139.8 Ų139.869%0.69281%0.81SS**  trans-142.8102.3169.452.40000108.2
402F31.7Very low33.5Very low214 Ų214140 Ų14094%0.93981%0.811SS**  trans-147.7148.9148.8-98.3-81.1000109.1
403P43.3Very low34.4Very low118 Ų118139.6 Ų139.677%0.76681%0.809SS**  trans-96.4164.9-152.138-33.2000114.3
404E30.6Very low34.1Very low185 Ų185145.2 Ų145.286%0.86482%0.815SS**  trans-66.4146.7177.1-168.9-179.8134.800114.4
405A35Very low34Very low93 Ų93139.6 Ų139.677%0.76980%0.797SS**  trans-171.1154.4148.700000111.4
406P48.2Very low33.8Very low107 Ų107135.9 Ų135.970%0.69579%0.791SS**  -125.3178.1-129.341.6-29.5000117.3
407D32.8Very low33.6Very low154 Ų154134.6 Ų134.682%0.82479%0.79SS**  trans67.2119.9149.6-82.9-17000122.6
408S34.5Very low33.2Very low125 Ų125137.2 Ų137.287%0.87479%0.79SS**  -173.2122.7118.133.90000111.2
409G30.6Very low33.5Very low74 Ų74133.3 Ų133.376%0.76379%0.786SS**  trans-88.3160-178.400000115.1
410R31.8Very low33.4Very low255 Ų255137.2 Ų137.296%0.96279%0.794SS**  -177.4157.2125.3-112.5177.9170.2-172.4-2.7111.7
411S29.5Very low33.2Very low102 Ų102139 Ų13971%0.71380%0.796SS**  trans-79.5138.1-162.1500000117.7
412A29.9Very low33.9Very low95 Ų95139.9 Ų139.979%0.78580%0.799SS**  48.4174.8128.300000120.8
413P53.7Low33.9Very low119 Ų119139.2 Ų139.277%0.77380%0.798SS**  cis-141.2-166.2-0.737.9-15.5000115.7
414Y27.9Very low33.3Very low225 Ų225137.2 Ų137.288%0.88280%0.799SS**  trans91.4128.1162.8-132-110.5000115.7
415S31.7Very low33.5Very low73 Ų73134.7 Ų134.751%0.5180%0.802SS.*  cis-169.3156.76.8-128.80000112.6
416A28.5Very low33.3Very low94 Ų94134 Ų13478%0.77780%0.804SS**  trans60.1143.3141.200000119.6
417A31.2Very low32.6Very low88 Ų88132.5 Ų132.573%0.72781%0.808SS**  cis-166.8129.7-10.800000104.7
418F25.8Very low32.6Very low198 Ų198131.7 Ų131.787%0.86881%0.814SS**  trans-109.6105.8165.7-164.1-92.4000106.5
419L32.5Very low32.6Very low157 Ų157129 Ų12982%0.82281%0.805SS**  trans-92119.2165.7-84.4161.9000106.7
420E28.2Very low33Very low175 Ų175136.1 Ų136.182%0.81881%0.811SS**  trans177.5119131.1-97.9174.7179.200111.3
421L30.4Very low34Very low170 Ų170130.2 Ų130.289%0.8981%0.806SS**  trans-143.3161.7158.9-79.5174.8000104.9
422P44.6Very low34.4Very low116 Ų116129.9 Ų129.975%0.75381%0.809SS**  cis-133.8164.3-8.630.9-10.3000114
423H31.9Very low34.7Very low201 Ų201129.8 Ų129.893%0.93181%0.808SS**  trans-89.1127.8161-80.3-82000110.6
424G30.6Very low34.5Very low75 Ų75129.9 Ų129.977%0.77381%0.809SS**  trans-101.3118.1173.800000113
425S33.8Very low35.5Very low133 Ų133125.1 Ų125.193%0.9381%0.805SS**  trans36130.3135.7-161.40000123.3
426G31.3Very low36Very low78 Ų78126.4 Ų126.480%0.80482%0.82SS**  trans141.9117.6147.800000110.7
427G32.5Very low36.5Very low76 Ų76128.3 Ų128.378%0.78482%0.822SS**  cis146.914210.700000107.4
428S34.7Very low37Very low137 Ų137129.8 Ų129.896%0.95882%0.824SS**  trans87.5128.1175.5-158.20000115.8
429G33.5Very low37.4Very low67 Ų67130.2 Ų130.269%0.69183%0.826SS**  cis177.8129.7100000107.2
430Y38.7Very low37.5Very low225 Ų225126.2 Ų126.288%0.88282%0.816SS**  trans-79.1167.2175.4-75.9-85.9000111.3
431P52.1Low37.9Very low131 Ų131123.9 Ų123.985%0.85182%0.816SS**  -129.8154.1100.435.7-26.6000113.7
432A39.6Very low38.1Very low95 Ų95123.9 Ų123.979%0.78581%0.811SS**  trans-93.6154.7-171.100000113.7
433A35.8Very low37.4Very low93 Ų93127.6 Ų127.677%0.76982%0.815SS**  trans-171.7167.3147.300000109.6
434P49.8Very low37.5Very low120 Ų120125.2 Ų125.278%0.77981%0.809SS**  -123-176.1-70.838.2-21.1000111.4
435P47.6Very low37.5Very low125 Ų125130.2 Ų130.281%0.81281%0.812SS**  trans-92.3168.7-157.537.2-33.7000115.8
436A43Very low37.3Very low100 Ų100127.6 Ų127.683%0.82681%0.806SS**  trans-71147.5-174.700000115.3
437V39.1Very low37.4Very low134 Ų134127.2 Ų127.281%0.81280%0.802SS**  trans-142.5149.5158.7-1190000109.1
438P41.7Very low37.7Very low119 Ų119129.6 Ų129.677%0.77380%0.803SS**PPolyproline II helixtrans-89.7140-15735.9-33000112.2
439F34.2Very low37.7Very low208 Ų208133 Ų13391%0.91280%0.801SS**PPolyproline II helixtrans-93.1120.4170.7-103.7-91.5000110.8
440A34.9Very low38.1Very low73 Ų73135.3 Ų135.360%0.60380%0.804SS**PPolyproline II helixtrans-72.9144.5164.100000110.5
441P35.7Very low38Very low125 Ų125132.6 Ų132.681%0.81280%0.804SS**PPolyproline II helixtrans-94.2121.716933.1-25.5000110.3
442H34.3Very low37.4Very low171 Ų171132.2 Ų132.279%0.79280%0.802SS**PPolyproline II helixtrans-98.1118.9162.2-78.7-76.4000109.9
443F31.3Very low36.9Very low193 Ų193138 Ų13885%0.84681%0.805SS**  trans20.5125.8141.4-86.2-95000119.8
444L33.2Very low36.7Very low151 Ų151140.3 Ų140.379%0.79181%0.809SS**  -171.5105.2122.7-90167.3000105.8
445Q30.5Very low35.9Very low181 Ų181138.8 Ų138.885%0.84681%0.807SS**  88.5119.591.5-167.1167.819.300113.2
446G30.1Very low36Very low77 Ų77138.8 Ų138.879%0.79481%0.807SS**  trans130.282.3162.100000115.2
447G32.8Very low35.4Very low70 Ų70138 Ų13872%0.72281%0.809SS**  trans-76.8175.7173.900000114.6
448P39.2Very low34.9Very low126 Ų126135.1 Ų135.182%0.81881%0.806SS**  trans-99.6151.2-159.336.9-31.5000113.9
449F35Very low34.5Very low208 Ų208139.8 Ų139.891%0.91281%0.81SS**  trans-110.5132.6163.3-87-80.1000110.8
450P41Very low34.5Very low116 Ų116136.3 Ų136.375%0.75380%0.8SS**  trans-97.5164.4160.935.3-26.9000112.6
451L37.7Very low34.4Very low168 Ų168139.6 Ų139.688%0.8881%0.807SS**  trans-49.9162.7178.8-59.4161.7000115.8
452P38.8Very low34.3Very low123 Ų123139.8 Ų139.880%0.79981%0.806SS**  trans-123.6134.6145.434-20.9000113.5
453Y29Very low34.2Very low218 Ų218135.2 Ų135.286%0.85581%0.805SS**  trans-86.6143.4146.7-105.1-93.3000107.8
454T31.2Very low34.5Very low140 Ų140131 Ų13186%0.85980%0.799SS**  171.8130.911733.80000111
455A34.3Very low34.8Very low88 Ų88133.1 Ų133.173%0.72780%0.802SS**  trans-73.3165.8149.600000107.9
456P48.5Very low36Very low126 Ų126129.5 Ų129.582%0.81879%0.794SS**  cis-155.2164.842.338.8-15.7000118.9
457G30.8Very low36.3Very low83 Ų83131.4 Ų131.486%0.85679%0.794SS**  trans85.5134.9130.900000120.1
458G28.7Very low37.1Very low73 Ų73138.2 Ų138.275%0.75382%0.822SS**  trans132.595.6139.300000118.6
459Y32.3Very low37Very low218 Ų218138.9 Ų138.986%0.85582%0.822SS**  75.1145.2124.6-127.4-112.4000122.6
460L34.8Very low37.1Very low134 Ų134135.2 Ų135.270%0.70282%0.818SS**  trans85.3112.3167.5-55.1171.8000116.4
461D34.1Very low36.8Very low142 Ų142136.3 Ų136.376%0.75982%0.821SS**  80.6143.856.3-162.127000113.3
462V32.2Very low36.8Very low129 Ų129134.4 Ų134.478%0.78282%0.818SS**  trans86.6118.4174.7-172.90000116.8
463G32.5Very low36.7Very low75 Ų75135.1 Ų135.177%0.77382%0.819SS**  trans177.948.2169.200000116.6
464S37Very low37.2Very low105 Ų105129.6 Ų129.673%0.73482%0.817SS**  trans-53.4154.6177.3-47.90000115.5
465K40.3Very low37.6Very low195 Ų195128.9 Ų128.985%0.84881%0.814SS**  trans88.1157.7149.2-72.2177.8176.1178.50119
466P55.8Low37.9Very low105 Ų105132 Ų13268%0.68282%0.82SS**  cis-142.9-169.7-45.639.3-20.7000113
467C37.3Very low37Very low117 Ų117132.5 Ų132.579%0.79182%0.821SS**  trans80.8123.5163.7-57.50000114.6
468T48Very low37.6Very low214 Ų214137 Ų137100%1.31382%0.817SS**  cis-150.202531.70000110.4

Retrieved 468 of 468 residues in 67.7 ms (Link to these results)