A0A5K4EUX3_SCHMA Loading...

Lysosome-associated membrane glycoprotein 1

AlphaFold DB , UniProt , Accession A0A5K4EUX3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 412 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
1M48.4Very low60.1Low245 Ų245132.8 Ų132.8100%1.20774%0.737SS**  0100.90-83.3170.915800108.3
2L44.7Very low61.2Low168 Ų168129.3 Ų129.388%0.8872%0.715SS**  trans-150.2110.2164.2-94.5167000105.4G4L2-G4 PolarHBondContact O-N 3.37Å
3P55.6Low62Low142 Ų142129.8 Ų129.892%0.92271%0.706SS**  trans-84.493.1173.632.2-25.8000107.6
4G57.1Low62.7Low55 Ų55128.4 Ų128.457%0.56770%0.697SS**  trans-127.61-176.100000115.6L2L2-G4 PolarHBondContact O-N 3.37Å
5S60.7Low63.4Low86 Ų86125.2 Ų125.260%0.60168%0.683SS**SBendtrans-104.4-2.4-166.6-44.10000115.8
6S60.9Low63.7Low102 Ų102123.5 Ų123.571%0.71367%0.672SS**SBendtrans-86.1-21.1-173.9-155.40000114.3
7V64.9Low64.1Low106 Ų106123.5 Ų123.564%0.64267%0.671SS**Hα-helixtrans-77.9-23.5-172.5-1750000112.6I9 L11V7-I9 PolarHBondContact O-N 2.98Å; V7-L11 PolarHBondContact O-N 3.46Å
8Y63.9Low64.3Low189 Ų189121.1 Ų121.174%0.74167%0.665SS**Hα-helixtrans-74.3-21.3-177.9-85.3-81.6000114.4L12Y8-L12 PolarHBondContact O-N 2.89Å
9I66.7Low64Low118 Ų118122.7 Ų122.761%0.60567%0.667SS**Hα-helixtrans-80-38.2-179.2-66.6176.6000111V7 L12 F13V7-I9 PolarHBondContact O-N 2.98Å; I9-L12 PolarHBondContact O-N 2.7Å; I9-F13 PolarHBondContact O-N 3.48Å
10E69.4Low63.7Low142 Ų142121.5 Ų121.566%0.66467%0.667SS**Hα-helixtrans-64.4-42.4175.1-81.9-91.8145.300111.9L12 F13 L14E10-L12 VanDerWaalsContact C-N 3.31Å; E10-L12 PolarHBondContact O-N 3.11Å; E10-F13 PolarHBondContact O-N 3.4Å; E10-L14 PolarHBondContact O-N 2.81Å
11L69.4Low63.3Low108 Ų108120.6 Ų120.657%0.56567%0.67SS**Hα-helixtrans-66.6-33178.4-117.392.9000112.7V7 L14 V15V7-L11 PolarHBondContact O-N 3.46Å; L11-L14 PolarHBondContact O-N 2.88Å; L11-V15 WeakPolarHBondContact O-CG2 3.35Å; L11-V15 PolarHBondContact O-N 3.23Å; L11-V15 VanDerWaalsContact O-N 3.12Å
12L72.9Confident63.6Low91 Ų91113.6 Ų113.648%0.47665%0.645SS.*Hα-helixtrans-69.9-35.3178-150.287.4000111.6Y8 I9 E10 L16Y8-L12 PolarHBondContact O-N 2.89Å; I9-L12 PolarHBondContact O-N 2.7Å; E10-L12 VanDerWaalsContact C-N 3.31Å; E10-L12 PolarHBondContact O-N 3.11Å; L12-L16 WeakPolarHBondContact O-CG 3.3Å; L12-L16 PolarHBondContact O-N 3.34Å; L12-L16 VanDerWaalsContact O-N 3.13Å
13F71.1Confident63.6Low136 Ų136113.2 Ų113.260%0.59664%0.644SS**Hα-helixtrans-66.9-39.3174.9-103.1-83.9000112.3I9 E10 L16 L17I9-F13 PolarHBondContact O-N 3.48Å; E10-F13 PolarHBondContact O-N 3.4Å; F13-L16 PolarHBondContact O-N 3.18Å; F13-L17 WeakPolarHBondContact O-CG 3.27Å; F13-L17 PolarHBondContact O-N 3.38Å
14L72.5Confident63.2Low110 Ų110113.3 Ų113.358%0.57664%0.641SS**Hα-helixtrans-68.9-35.6176.9-83.6163.1000113.1E10 L11 L17 S18E10-L14 PolarHBondContact O-N 2.81Å; L11-L14 PolarHBondContact O-N 2.88Å; L14-L17 PolarHBondContact O-N 3.35Å; L14-S18 PolarHBondContact O-N 3.35Å; L14-S18 VanDerWaalsContact O-N 3.08Å; L14-S18 PolarHBondContact O-OG 3.4Å
15V73.4Confident62.8Low80 Ų80122.2 Ų122.249%0.48566%0.66SS.*Hα-helixtrans-71.6-33.8176.6174.10000111.9L11 S18 H19L11-V15 WeakPolarHBondContact O-CG2 3.35Å; L11-V15 PolarHBondContact O-N 3.23Å; L11-V15 VanDerWaalsContact O-N 3.12Å; V15-S18 PolarHBondContact O-OG 2.91Å; V15-S18 VanDerWaalsContact O-OG 3.13Å; V15-H19 PolarHBondContact O-N 3.47Å; V15-H19 PolarHBondContact O-ND1 3.2Å
16L68.4Low62Low98 Ų98121 Ų12151%0.51366%0.66SS.*Hα-helixtrans-73-32.9175.1-73.2170000112.4L12 F13L12-L16 WeakPolarHBondContact O-CG 3.3Å; L12-L16 PolarHBondContact O-N 3.34Å; L12-L16 VanDerWaalsContact O-N 3.13Å; F13-L16 PolarHBondContact O-N 3.18Å
17L69.8Low61.2Low124 Ų124125 Ų12565%0.64967%0.665SS**Hα-helixtrans-73.1-29.4174.3-74167.1000112.6F13 L14F13-L17 WeakPolarHBondContact O-CG 3.27Å; F13-L17 PolarHBondContact O-N 3.38Å; L14-L17 PolarHBondContact O-N 3.35Å
18S67.2Low60.5Low80 Ų80126.8 Ų126.856%0.55968%0.676SS**Hα-helixtrans-80.1-21.8-18066.70000114.6L14 V15L14-S18 PolarHBondContact O-N 3.35Å; L14-S18 VanDerWaalsContact O-N 3.08Å; L14-S18 PolarHBondContact O-OG 3.4Å; V15-S18 PolarHBondContact O-OG 2.91Å; V15-S18 VanDerWaalsContact O-OG 3.13Å
19H60Low59.5Low152 Ų152124.3 Ų124.370%0.70468%0.676SS**SBendtrans-91.4-3179.2-84.371.7000114.8V15 S21V15-H19 PolarHBondContact O-N 3.47Å; V15-H19 PolarHBondContact O-ND1 3.2Å; H19-S21 PolarHBondContact O-N 3.19Å
20S56.4Low58.6Low97 Ų97122.7 Ų122.768%0.67868%0.681SS**SBendtrans-83.211.9-179.5-170.30000114.2
21S56.7Low57.6Low104 Ų104123.9 Ų123.973%0.72769%0.691SS**  trans-133.367.6-179.2-61.50000111.1H19H19-S21 PolarHBondContact O-N 3.19Å
22S53.3Low56.4Low97 Ų97121.9 Ų121.968%0.67870%0.697SS**SBendtrans-153.1105.8164.1-61.30000109.6
23D45.1Very low55.3Low160 Ų160129.1 Ų129.186%0.85672%0.72SS**  trans43.2101.4142.6-51.5-32.5000119.2
24V47.9Very low54.2Low144 Ų144132.4 Ų132.487%0.87373%0.734SS**  trans-123.984.1154.3-175.40000108.5
25Y48.2Very low53.2Low243 Ų243132.6 Ų132.695%0.95374%0.744SS**  trans-101.1121.8153.9-111.6-86.8000106.5
26G44.5Very low52Low59 Ų59134.1 Ų134.161%0.60876%0.758SS**  trans165.8102.8172.800000115.1
27F44.4Very low51.4Low187 Ų187134.7 Ų134.782%0.8277%0.771SS**  57.1108125.5-131.6-92.5000118.2D29F27-D29 HydrophobicContact CE1-CB 4.33Å
28T48.4Very low50.5Low143 Ų143137.4 Ų137.488%0.87778%0.78SS**  trans-135101.1152.952.60000109.5
29D44.8Very low49.7Very low138 Ų138138.5 Ų138.574%0.73879%0.788SS**  trans-102.9153151.9-98.4-32.7000108.2F27F27-D29 HydrophobicContact CE1-CB 4.33Å
30A46.5Very low49.5Very low84 Ų84137.2 Ų137.269%0.69480%0.796SS**  trans78.8101.8159.600000119.6
31D49.6Very low49.7Very low166 Ų166141.5 Ų141.589%0.88881%0.805SS**  56.4121.7119.1-60.5-30000121.9
32G43.7Very low49.8Very low67 Ų67143.7 Ų143.769%0.69181%0.814SS**  102.7115.6129.800000116.2
33Y50.2Low50.1Low242 Ų242147 Ų14795%0.94982%0.819SS**  -167.9123.3123.9-116.9-85.5000110.8
34K47.1Very low50.7Low206 Ų206147.4 Ų147.490%0.89682%0.816SS**  trans-93.6140.5167.2-126.1179.7-178.1179.50107.6
35S52.2Low50.9Low114 Ų114145.5 Ų145.580%0.79781%0.805SS**  trans-138.1108.8166167.90000106.6
36S47.5Very low51.2Low111 Ų111142.1 Ų142.178%0.77680%0.798SS**  93.2113.576.2-174.10000112.5
37S55.5Low51.5Low111 Ų111144.4 Ų144.478%0.77680%0.8SS**  trans174.5139.8151.635.80000107
38Q51.4Low51.9Low181 Ų181141.4 Ų141.485%0.84680%0.797SS**  cis-169.9140.4-13.6-169.7173.92.500106.4
39S50Low52Low103 Ų103141.8 Ų141.872%0.7279%0.793SS**  trans49.4121.215671.20000122.8
40S56.8Low52.6Low124 Ų124145.5 Ų145.587%0.86780%0.799SS**  178.5136.298.243.80000110.5
41E59.3Low53Low188 Ų188146.1 Ų146.188%0.87980%0.798SS**  trans-81.9143.9-174.8-64.8164.5143.200112
42T58.6Low52.9Low149 Ų149145.3 Ų145.391%0.91479%0.793SS**  trans-154.6136.9142.4-57.90000108.4
43E60.1Low53.4Low168 Ų168149.3 Ų149.379%0.78580%0.799SS**  trans-92.4168.7-163.4-161.7175.4-17900112.6
44E58.8Low53.3Low167 Ų167144.7 Ų144.778%0.7879%0.789SS**  trans84.2140162.9-56.7-167.6175.700118.6
45T51.6Low53.5Low105 Ų105142 Ų14264%0.64478%0.783SS**  cis-172.8138.3-9.8-79.50000106.3
46E54.5Low53.1Low172 Ų172144.7 Ų144.780%0.80478%0.781SS**  trans68.1127.3146.2-92.6-168138.900127
47V50.1Low53.5Low107 Ų107144.6 Ų144.665%0.64878%0.777SS**  trans71.5136.8137.2-149.80000122.8
48T53.5Low52.9Low124 Ų124145 Ų14576%0.76178%0.775SS**  trans99.198.4157.965.90000114.5
49D51Low52.8Low151 Ų151143.2 Ų143.281%0.80777%0.77SS**  56.194.881.8-165.421.8000112.3
50Y55.9Low52.3Low216 Ų216145 Ų14585%0.84777%0.771SS**  trans-169.4118.6147.8-128.4-97.4000112.1
51S56.3Low51.8Low97 Ų97143.7 Ų143.768%0.67876%0.758SS**  trans35.1130.2144.7-53.70000123
52D46.1Very low50.8Low149 Ų149138.6 Ų138.680%0.79774%0.743SS**  trans-45.6127.4161-66.3-54.5000114.3
53D54.3Low50.2Low151 Ų151141.7 Ų141.781%0.80774%0.739SS**  trans-157.798.1143.8-96.4-31000107.6I55D53-I55 PolarHBondContact O-N 3.39Å
54I48.3Very low49.5Very low145 Ų145140 Ų14074%0.74474%0.736SS**  trans-73.896.4174-62.6177.1000107.9F56I54-F56 PolarHBondContact O-N 3.18Å
55I51.8Low48.6Very low149 Ų149137.9 Ų137.976%0.76473%0.73SS**  trans-76.8112.3166.2-64.6172.9000107.6D53D53-I55 PolarHBondContact O-N 3.39Å
56F44.3Very low48Very low171 Ų171142.2 Ų142.275%0.7575%0.745SS**  trans-65.3132.3165.9-79.2-87000109.5I54 V58I54-F56 PolarHBondContact O-N 3.18Å; F56-V58 PolarHBondContact O-N 3.02Å; F56-V58 VanDerWaalsContact O-N 3.07Å
57P55.6Low47.2Very low108 Ų108140.1 Ų140.170%0.70174%0.744SS**  trans-67112171.826.7-31.2000108.9I59P57-I59 PolarHBondContact O-N 2.96Å
58V43.8Very low46.8Very low121 Ų121139.5 Ų139.573%0.73375%0.75SS**  trans-65.1103.1159.4177.50000106.3F56 N60F56-V58 PolarHBondContact O-N 3.02Å; F56-V58 VanDerWaalsContact O-N 3.07Å; V58-N60 VanDerWaalsContact C-N 3.25Å; V58-N60 PolarHBondContact O-N 3.35Å
59I49Very low46.3Very low142 Ų142141.6 Ų141.673%0.72876%0.757SS**  trans-71.891.8166.4-57.8175.7000106.1P57 V61P57-I59 PolarHBondContact O-N 2.96Å; I59-V61 HydrophobicContact CG2-CG2 3.92Å; I59-V61 PolarHBondContact O-N 3.48Å
60N39.6Very low45.5Very low142 Ų142137.7 Ų137.776%0.75975%0.752SS**  trans-65.798161.2-97.4-1.5000107.4V58 S62V58-N60 VanDerWaalsContact C-N 3.25Å; V58-N60 PolarHBondContact O-N 3.35Å; N60-S62 VanDerWaalsContact C-N 3.33Å; N60-S62 PolarHBondContact O-N 2.89Å; N60-S62 VanDerWaalsContact O-N 3.14Å
61V44.5Very low44.8Very low95 Ų95133.6 Ų133.658%0.57675%0.75SS**  trans-76.494.8159.9-174.60000106.3I59 Y63I59-V61 HydrophobicContact CG2-CG2 3.92Å; I59-V61 PolarHBondContact O-N 3.48Å; V61-Y63 HydrophobicContact CB-CE2 4.48Å; V61-Y63 HydrophobicContact CG1-CD2 4.06Å; V61-Y63 HydrophobicContact CG1-CE2 3.71Å; V61-Y63 PolarHBondContact O-N 3.4Å
62S38.9Very low43.9Very low81 Ų81135.7 Ų135.757%0.56676%0.759SS**  trans-65.4109.3166.2-172.70000108.1N60 D64N60-S62 VanDerWaalsContact C-N 3.33Å; N60-S62 PolarHBondContact O-N 2.89Å; N60-S62 VanDerWaalsContact O-N 3.14Å; S62-D64 VanDerWaalsContact C-N 3.31Å; S62-D64 PolarHBondContact O-N 3.06Å; S62-D64 PolarHBondContact OG-OD2 3.17Å
63Y46.6Very low43.9Very low214 Ų214134.7 Ų134.784%0.83976%0.758SS**  trans-84.484.8159.7-79-84000107.6V61 N65V61-Y63 HydrophobicContact CB-CE2 4.48Å; V61-Y63 HydrophobicContact CG1-CD2 4.06Å; V61-Y63 HydrophobicContact CG1-CE2 3.71Å; V61-Y63 PolarHBondContact O-N 3.4Å; Y63-N65 PolarHBondContact O-N 3.27Å; Y63-N65 VanDerWaalsContact O-N 3.16Å
64D44.6Very low43.5Very low133 Ų133133 Ų13371%0.71176%0.755SS**  trans-69.3108.9167.1-80-60.5000109.6S62S62-D64 VanDerWaalsContact C-N 3.31Å; S62-D64 PolarHBondContact O-N 3.06Å; S62-D64 PolarHBondContact OG-OD2 3.17Å
65N40.1Very low43.2Very low123 Ų123137.3 Ų137.366%0.65876%0.764SS**  trans6284.6131-149.46.7000117.5Y63 T67Y63-N65 PolarHBondContact O-N 3.27Å; Y63-N65 VanDerWaalsContact O-N 3.16Å; N65-T67 PolarHBondContact OD1-OG1 3.43Å
66M40.3Very low43Very low196 Ų196138 Ų13897%0.96677%0.768SS**  trans-116.493.2143.3-75.9-168.8179.500109A68M66-A68 PolarHBondContact O-N 2.89Å
67T37.8Very low43.3Very low127 Ų127135.2 Ų135.278%0.77977%0.767SS**  trans-73.8112.8165.1-57.80000108.2N65N65-T67 PolarHBondContact OD1-OG1 3.43Å
68A41.6Very low42.4Very low94 Ų94136.7 Ų136.778%0.77778%0.775SS**  trans-139.9116162.600000109.6M66M66-A68 PolarHBondContact O-N 2.89Å
69N42.1Very low42.7Very low168 Ų168135.5 Ų135.590%0.89878%0.777SS**  trans-13.4131.4172.9-101.3-13.8000118.2
70G34.7Very low42.7Very low70 Ų70135.1 Ų135.172%0.72278%0.782SS**  trans-69.5160.6177.100000115
71T40.1Very low42.8Very low130 Ų130134.7 Ų134.780%0.79878%0.784SS**  trans-149.7112.7144.7-56.70000106.7
72T38.6Very low43.5Very low140 Ų140136 Ų13686%0.85979%0.793SS**  trans-64.1129170.742.30000110.2
73V45.1Very low44Very low129 Ų129139.5 Ų139.578%0.78281%0.805SS**  trans-119.1131.7165.8-167.60000107.9
74P45.6Very low44.2Very low116 Ų116138 Ų13875%0.75381%0.806SS**  trans-85157.4-163.433.7-34.8000113.6
75Y43.3Very low44.6Very low234 Ų234136.5 Ų136.592%0.91880%0.803SS**  trans-37.4133.1165.2-81.8-102000113.9
76L47.7Very low45.1Very low165 Ų165137.9 Ų137.986%0.86481%0.811SS**PPolyproline II helixtrans-90.8129.8165.2-163.372.4000109.4
77P48.8Very low45.3Very low112 Ų112133.1 Ų133.173%0.72780%0.796SS**PPolyproline II helixtrans-88.3143.3-179.133.5-30.5000112.3
78T38.3Very low45.8Very low139 Ų139132.1 Ų132.185%0.85379%0.791SS**PPolyproline II helixtrans-58.6127.9166.3-52.60000110.9
79A50.2Low45.9Very low95 Ų95134.8 Ų134.879%0.78579%0.79SS**  trans-121.3115.7168.300000110.2
80T48.5Very low46.2Very low134 Ų134138.3 Ų138.382%0.82279%0.791SS**  trans-73.2138.5170.318.70000111.6
81T41.3Very low46.7Very low133 Ų133142.6 Ų142.682%0.81679%0.792SS**  trans-72.8141.4174.343.50000113.1
82T58.8Low47.4Very low123 Ų123142.6 Ų142.676%0.75580%0.797SS**  trans-151.3112.7155.5-49.40000110.2
83D50.9Low47.8Very low155 Ų155141.8 Ų141.883%0.82979%0.792SS**  trans50.7123.8145.1-53.9-30.8000124.2
84E49.1Very low47.7Very low183 Ų183140.7 Ų140.786%0.85579%0.786SS**  trans-48.9-176.9154.7-116.3-168.3124.800115
85P54Low47.8Very low101 Ų101142.1 Ų142.166%0.65679%0.793SS**  cis-139.5177.1-14.128.8-6.5000115.8
86N50.4Low47.8Very low152 Ų152135.9 Ų135.981%0.81378%0.779SS**  trans114.1132.5134.1-154.520.2000119.8
87S43.6Very low47.9Very low95 Ų95136 Ų13666%0.66478%0.78SS**  trans77.9142150.7138.60000117.8
88T48.3Very low48Very low107 Ų107135.8 Ų135.866%0.65678%0.778SS**  cis-173.4133.2-3.5-69.10000106.6
89I45.2Very low48.6Very low149 Ų149136.7 Ų136.776%0.76478%0.778SS**  trans31.7122.8146.4-51.2165.6000119.9
90R46.6Very low48.4Very low243 Ų243137.7 Ų137.792%0.91777%0.774SS**  -161.1137.7126.5-124.6178.4173.2-172.7-2.4114.7
91E46.1Very low48.8Very low159 Ų159138.3 Ų138.374%0.74378%0.778SS**  trans-62.9154.9-178.2-59.5161.813500114.5
92S55.2Low49Very low131 Ų131138.1 Ų138.192%0.91677%0.772SS**  trans-161.6135.6132.2-81.40000112
93T46.4Very low48.8Very low122 Ų122141.3 Ų141.375%0.74878%0.778SS**  trans-98.6136-164.2-51.20000111.5
94T43.6Very low48.9Very low106 Ų106137.9 Ų137.965%0.6577%0.766SS**  trans36.7132.6140.2-400000121.7V96T94-V96 HydrophobicContact CG2-CG2 3.98Å
95T48Very low49.3Very low146 Ų146137.9 Ų137.990%0.89677%0.766SS**  -147.4141.1129.6-51.60000111.2
96V43.6Very low48.9Very low103 Ų103139 Ų13962%0.62477%0.766SS**  trans-90.4150.4-170.1171.60000111.7T94T94-V96 HydrophobicContact CG2-CG2 3.98Å
97L48.8Very low49Very low169 Ų169137.6 Ų137.689%0.88577%0.769SS**  -164141.4127.2-131.772.4000112.7
98P51.2Low48.9Very low107 Ų107138.2 Ų138.270%0.69577%0.768SS**  trans-107.4168.1-171.538.1-24.8000112.9
99N51.4Low49Very low158 Ų158140.5 Ų140.585%0.84578%0.775SS**  trans-153.2128143.1-143.512.5000113.4
100T45.7Very low49.2Very low116 Ų116137.8 Ų137.871%0.71277%0.774SS**  trans-62.9150.617117.70000113.7
101T57.3Low48.9Very low147 Ų147132.3 Ų132.390%0.90277%0.768SS**  -161.2139.8120.4-61.30000110
102D44.8Very low49.3Very low129 Ų129133.9 Ų133.969%0.6978%0.776SS**  trans-86.2146.2-167.9-172.10.8000112.6
103H54.9Low48.6Very low189 Ų189133.2 Ų133.288%0.87577%0.766SS**  trans-165102.5140-106.6-27.5000113.5
104S51.7Low48.7Very low83 Ų83133.5 Ų133.558%0.5877%0.768SS**  trans-15.7128.4144.9160.60000117.9
105H58.5Low48.5Very low184 Ų184133 Ų13385%0.85277%0.768SS**  -157.1133.7115-118.2-75.6000113.8
106D45.9Very low48.5Very low123 Ų123132.3 Ų132.366%0.65876%0.764SS**  trans-63.4133.7178.3-179.317.2000114.4
107S51.4Low48.3Very low124 Ų124132.5 Ų132.587%0.86777%0.766SS**  trans-161.3130.3135.2-136.60000112.4
108T42.7Very low48.5Very low107 Ų107133.8 Ų133.866%0.65677%0.768SS**  trans-90.5150.2-173.7-56.10000110.3
109I50.5Low47.8Very low156 Ų156134.4 Ų134.480%0.877%0.769SS**  155.3123.2123.5-75.4173.4000113.1
110A49.4Very low47.9Very low91 Ų91131.5 Ų131.575%0.75277%0.768SS**  trans65.3100.7148.800000121.5
111T38.5Very low47.7Very low129 Ų129131.8 Ų131.879%0.79177%0.769SS**  trans-90.7125.3150.6-53.10000109
112E55Low47.3Very low192 Ų192131.6 Ų131.690%0.89777%0.768SS**  trans-108.8113.6156.8-92.2-170.8162.300109.3
113T41.5Very low47.3Very low116 Ų116137 Ų13771%0.71278%0.779SS**  trans-94.5128.2165-60.40000107.1
114T48.4Very low47Very low129 Ų129131.2 Ų131.279%0.79177%0.77SS**  trans-135.1112.8155.2-60.30000109.1
115S38.2Very low46.8Very low94 Ų94136.2 Ų136.266%0.65779%0.786SS**  trans-92133.8165.4166.90000107.7
116T49.7Very low46Very low132 Ų132133.6 Ų133.681%0.8178%0.784SS**  trans-152.3115.7146.8-28.30000110.8
117T38.6Very low45.8Very low108 Ų108133.6 Ų133.666%0.66379%0.788SS**  trans-72.6134.4166.1-55.50000109.9
118E52.8Low45.3Very low196 Ų196132.3 Ų132.392%0.91679%0.785SS**  trans-140.1118.7150.5-100.5-169.6163.900111
119T37.5Very low45.4Very low119 Ų119130.9 Ų130.973%0.7379%0.792SS**  trans-93.5125.3170.9-63.10000107.8
120A53.1Low45Very low98 Ų98129.8 Ų129.881%0.8179%0.792SS**  trans-124.4101.6165.900000110.3
121T40.7Very low44.7Very low122 Ų122131.5 Ų131.575%0.74879%0.793SS**  trans-65.4132164.3-50.50000109.5
122T50.3Low44.7Very low142 Ų142131.2 Ų131.287%0.87179%0.792SS**  trans-139.8133.7156.6-59.80000110.7
123R43.8Very low44.3Very low244 Ų244128.2 Ų128.292%0.92179%0.786SS**  trans-113.6137.4-167.4-170.4-173.2-164.7-176.15107.3
124G48.1Very low44.4Very low67 Ų67131.6 Ų131.669%0.69179%0.792SS**  trans16094.1166.500000111.1
125M48.6Very low44.4Very low187 Ų187134 Ų13492%0.92179%0.794SS**  71.913989-99.4-170.9178.100115.2
126T40.8Very low44.5Very low129 Ų129134.9 Ų134.979%0.79180%0.795SS**  trans96134.5154.5-30.90000114.7
127T41.7Very low44.2Very low124 Ų124135 Ų13576%0.76180%0.796SS**  cis-168.9155.6-19.2-86.30000105.9
128A40.5Very low44.8Very low96 Ų96134 Ų13479%0.79380%0.799SS**  trans-43.8146.8174.700000116.5
129G44.8Very low44.3Very low78 Ų78128.2 Ų128.280%0.80479%0.791SS**  trans-159.783.1168.800000110.7
130V42.3Very low45Very low132 Ų132129.4 Ų129.480%0.880%0.798SS**  trans-73.9123167.8167.70000108.5
131T43Very low44.7Very low127 Ų127130.8 Ų130.878%0.77980%0.797SS**  trans-150.1106.7152.7-38.40000111.7
132T39.8Very low44.9Very low124 Ų124131.2 Ų131.276%0.76180%0.799SS**  trans-63.6131.1161.5-54.50000110
133T46.5Very low44.9Very low128 Ų128130.1 Ų130.179%0.78579%0.793SS**  trans-130.1133162.2-58.70000109.5
134K42.8Very low45.1Very low188 Ų188126.5 Ų126.582%0.81779%0.786SS**  trans-123.9119.7-171.6-162-170.3-167.4-1730106.2
135E48.9Very low45.3Very low180 Ų180129.3 Ų129.384%0.84179%0.789SS**  trans-156.8110.9170.7-123.7179.7166.500104.2
136T40.1Very low45.1Very low112 Ų112126.4 Ų126.469%0.68778%0.782SS**  68.412550.1-41.80000114
137T43.8Very low45.6Very low134 Ų134126.3 Ų126.382%0.82278%0.782SS**  trans90.4131.2161.8-27.20000114.3
138A50.5Low45.9Very low87 Ų87125 Ų12572%0.71978%0.784SS**  cis-153.9147.1-1.100000105.4
139G42.8Very low46.5Very low74 Ų74124.1 Ų124.176%0.76378%0.784SS**  78.277.767.300000111
140V52Low46.9Very low145 Ų145126.9 Ų126.988%0.87979%0.785SS**  trans-139.1127.7160.6177.70000110
141T48Very low47.1Very low126 Ų126126.1 Ų126.177%0.77378%0.781SS**  trans-80.5140-173.2-52.30000112
142T43.9Very low47.6Very low131 Ų131125.6 Ų125.680%0.80478%0.778SS**  trans-77.7135.5166.4-49.70000110.3
143T49.5Very low48Very low119 Ų119125.5 Ų125.573%0.7378%0.777SS**  trans-138.2116.8161.1-51.40000108.9
144E49.2Very low48.6Very low169 Ų169127.8 Ų127.879%0.7978%0.779SS**  trans-67.1136.1165.6-79.1176.3128.400110
145V53Low49.1Very low125 Ų125124.4 Ų124.476%0.75877%0.773SS**  trans-133.4109152.5-179.30000108.7
146T43.6Very low49.8Very low126 Ų126122.4 Ų122.477%0.77377%0.767SS**  trans-76.5127.8161.5-46.20000108.5
147T50.3Low50.4Low127 Ų127123.2 Ų123.278%0.77977%0.772SS**  trans-152.5127.4151.4-49.90000110.3
148A49.1Very low51.3Low98 Ų98125.6 Ų125.681%0.8177%0.771SS**  trans-70.5145.6173.300000111.4
149G51.7Low51.9Low77 Ų77130.5 Ų130.579%0.79478%0.779SS**  trans-176.7104.4176.100000112.2
150V53.9Low52.9Low135 Ų135135.4 Ų135.482%0.81878%0.784SS**  trans-65.1161.1-178.9-1730000111.7
151T46.1Very low53.4Low116 Ų116137 Ų13771%0.71278%0.782SS**  trans109.3100.4137.8-14.10000118
152T53.9Low54Low117 Ų117137.7 Ų137.772%0.71879%0.786SS**  68.9109.5122.4-46.80000121.5
153T49.3Very low54.9Low122 Ų122136.6 Ų136.675%0.74878%0.78SS**  29.9116.1129.2-36.30000120.1
154E58.3Low55.3Low176 Ų176135.6 Ų135.682%0.82278%0.784SS**  trans-145.2125.8139.8-149.2173.3-16300110.4
155V52.7Low55.6Low116 Ų116132.7 Ų132.770%0.70378%0.777SS**  trans-83.6119.8178172.30000107.7
156I63.7Low56.1Low138 Ų138135.5 Ų135.571%0.70878%0.784SS**  trans-120.599.6166.8-60.2179.1000108K158I156-K158 PolarHBondContact O-N 3.47Å
157T53.5Low56.6Low129 Ų129134.5 Ų134.579%0.79178%0.778SS**  trans-72.7110.6165.8-52.60000108
158K61.6Low56.9Low185 Ų185134.7 Ų134.780%0.80478%0.779SS**  trans-109.3109.8169.3-135.2179.2-174.9-178.70108.7I156 M160I156-K158 PolarHBondContact O-N 3.47Å; K158-M160 PolarHBondContact O-N 2.9Å
159E63.8Low57.1Low190 Ų190135.4 Ų135.489%0.88877%0.774SS**  trans-55.7112.4169.2-166.4174.1-17300108.7
160M63.3Low57.1Low177 Ų177138.4 Ų138.487%0.87277%0.772SS**  trans-107.5114170.9-105.5-168.4176.800109.3K158 T162K158-M160 PolarHBondContact O-N 2.9Å; M160-T162 PolarHBondContact O-N 3.29Å
161E63.6Low57.2Low179 Ų179140.2 Ų140.284%0.83677%0.773SS**  trans-44114.5169.2-167.7173.8-176.100111.6T163E161-T163 PolarHBondContact O-N 3.23Å
162T60.5Low57.5Low139 Ų139141.5 Ų141.585%0.85377%0.774SS**  trans-82.698178.5-60.50000109M160M160-T162 PolarHBondContact O-N 3.29Å
163T61.3Low57.4Low108 Ų108141.7 Ų141.766%0.66378%0.775SS**  trans-80.3118.8167.4-63.30000109E161 V165E161-T163 PolarHBondContact O-N 3.23Å; T163-V165 PolarHBondContact O-N 3.16Å
164A58.4Low57.7Low99 Ų99141.2 Ų141.282%0.81877%0.773SS**  trans-66.496.3176.100000110.8
165V56.2Low57.1Low108 Ų108139 Ų13966%0.65577%0.771SS**  trans-94116.6165.3177.40000107.3T163 T167T163-V165 PolarHBondContact O-N 3.16Å; V165-T167 VanDerWaalsContact C-N 3.33Å; V165-T167 PolarHBondContact O-N 2.72Å
166M63.7Low57.4Low184 Ų184139.2 Ų139.291%0.90677%0.772SS**  trans-67.793.2169-73.4-160.515200108.9T168M166-T168 PolarHBondContact O-N 3.47Å
167T52.7Low57.4Low105 Ų105138 Ų13864%0.64477%0.773SS**  trans-8695.8171.5-52.30000108.7V165 T169V165-T167 VanDerWaalsContact C-N 3.33Å; V165-T167 PolarHBondContact O-N 2.72Å; T167-T169 VanDerWaalsContact C-N 3.35Å; T167-T169 PolarHBondContact O-N 3.12Å; T167-T169 PolarHBondContact O-OG1 3.38Å
168T57.2Low58Low131 Ų131139.4 Ų139.480%0.80477%0.774SS**  trans-59.699.3164-34.50000107.4M166 D170M166-T168 PolarHBondContact O-N 3.47Å; T168-D170 PolarHBondContact O-N 3.35Å
169T54.3Low58.2Low112 Ų112133.5 Ų133.569%0.68776%0.755SS**  trans-78.5100179-590000107.2T167 M171T167-T169 VanDerWaalsContact C-N 3.35Å; T167-T169 PolarHBondContact O-N 3.12Å; T167-T169 PolarHBondContact O-OG1 3.38Å; T169-M171 PolarHBondContact O-N 2.95Å
170D50.3Low59.1Low141 Ų141127.6 Ų127.675%0.75473%0.734SS**  trans-55.4111.5163-88.6-32.4000107.4T168 I172T168-D170 PolarHBondContact O-N 3.35Å; D170-I172 VanDerWaalsContact C-N 3.27Å; D170-I172 PolarHBondContact O-N 3.28Å
171M57.4Low60.5Low172 Ų172121.5 Ų121.585%0.84771%0.707SS**  trans-65.892.7173.4-67.2-131.7-16100107.8T169 T173T169-M171 PolarHBondContact O-N 2.95Å; M171-T173 PolarHBondContact O-N 3.38Å
172I52.6Low62.1Low143 Ų143115.2 Ų115.273%0.73368%0.678SS**  trans-64.993.4163.8-60.6177.4000105.8D170 T174D170-I172 VanDerWaalsContact C-N 3.27Å; D170-I172 PolarHBondContact O-N 3.28Å; I172-T174 PolarHBondContact O-N 2.91Å; I172-T174 PolarHBondContact O-OG1 2.95Å
173T51.3Low63.8Low121 Ų121113.1 Ų113.174%0.74266%0.656SS**  trans-60.692.7162.431.20000107.1M171 V175M171-T173 PolarHBondContact O-N 3.38Å; T173-V175 PolarHBondContact O-N 3.21Å
174T54.9Low65.6Low113 Ų113108.6 Ų108.669%0.69363%0.628SS**  trans-69.2102.1171-45.20000105I172 V176I172-T174 PolarHBondContact O-N 2.91Å; I172-T174 PolarHBondContact O-OG1 2.95Å; T174-V176 VanDerWaalsContact C-N 3.33Å; T174-V176 PolarHBondContact O-N 3.42Å
175V46.1Very low67.5Low129 Ų129105.4 Ų105.478%0.78260%0.599SS**  trans-63.699.3179.1-169.40000106.6T173 P177T173-V175 PolarHBondContact O-N 3.21Å; V175-P177 WeakPolarHBondContact O-CD 3.48Å
176V59.3Low69.5Low120 Ų120101 Ų10173%0.72757%0.572SS**PPolyproline II helixtrans-60.5121.9175.4179.70000106.3T174 I178T174-V176 VanDerWaalsContact C-N 3.33Å; T174-V176 PolarHBondContact O-N 3.42Å; V176-I178 PolarHBondContact O-N 2.88Å
177P63.7Low71.2Confident113 Ų11398 Ų9873%0.73455%0.554SS**PPolyproline II helixtrans-56.7128.4-179.420.9-30.5000109V175V175-P177 WeakPolarHBondContact O-CD 3.48Å
178I65.3Low73.3Confident158 Ų15896.5 Ų96.581%0.8155%0.548SS*.PPolyproline II helixtrans-58.7122.3-179.8-61.6169.8000107.3V176 S180V176-I178 PolarHBondContact O-N 2.88Å; I178-S180 PolarHBondContact O-N 3.42Å
179P67.1Low75.1Confident62 Ų6293.5 Ų93.540%0.40354%0.542SS..PPolyproline II helixtrans-61.4134.5179.723.8-31.8000110V181P179-V181 VanDerWaalsContact C-N 3.32Å; P179-V181 PolarHBondContact O-N 3.42Å
180S82.8Confident77.2Confident65 Ų6595.5 Ų95.546%0.45555%0.549SS..  trans-76.883.9177.355.80000109.7I178 H182I178-S180 PolarHBondContact O-N 3.42Å; S180-H182 PolarHBondContact O-CD2 2.89Å; S180-H182 VanDerWaalsContact O-CD2 3.3Å; S180-H182 PolarHBondContact O-N 3.26Å
181V93Very high79.4Confident50 Ų5090.2 Ų90.230%0.30352%0.523SS..  trans-75.9115.5176.9-176.10000109P179 Q197 D199 N348P179-V181 VanDerWaalsContact C-N 3.32Å; P179-V181 PolarHBondContact O-N 3.42Å; V181-Q197 HydrophobicContact CG1-CG 3.32Å; V181-D199 HydrophobicContact CG2-CB 4.46Å; V181-N348 HydrophobicContact CG2-CB 4.05Å
182H95.6Very high81.4Confident47 Ų4783.3 Ų83.322%0.21849%0.488CS..EExtended strand (participates in β ladder)trans-88.1141.2178.8-66.6-72.7000110.7S180 F184 Q197 S198 L220S180-H182 PolarHBondContact O-CD2 2.89Å; S180-H182 VanDerWaalsContact O-CD2 3.3Å; S180-H182 PolarHBondContact O-N 3.26Å; H182-F184 HydrophobicContact CB-CD2 4.43Å; H182-F184 HydrophobicContact CB-CE2 3.52Å; H182-F184 HydrophobicContact CB-CZ 3.76Å; H182-Q197 CarbonylContact O-C 3.59Å; H182-Q197 WeakPolarHBondContact O-CA 3.38Å; H182-S198 PolarHBondContact N-O 3.39Å; H182-S198 PolarHBondContact O-N 2.93Å; H182-L220 PolarHBondContact CD2-O 2.93Å; H182-L220 PolarHBondContact NE2-O 3.2Å
183K97.5Very high83.5Confident94 Ų9476.9 Ų76.941%0.40946%0.455SS..EExtended strand (participates in β ladder)trans-118.8134.3176.1-175.2-176.5176.8-170.60109.6F196 E360K183-F196 CarbonylContact C-O 3.19Å; K183-F196 WeakPolarHBondContact CA-O 3.32Å; K183-E360 PolarHBondContact NZ-O 2.81Å; K183-E360 IonicContact NZ-OE1 2.67Å
184F98.2Very high85.8Confident14 Ų1471.1 Ų71.16%0.06142%0.42CS..EExtended strand (participates in β ladder)trans-131.9143.7179.5-54.6-85.8000109.1H182 F196 L220 A223 I225 L239 L241H182-F184 HydrophobicContact CB-CD2 4.43Å; H182-F184 HydrophobicContact CB-CE2 3.52Å; H182-F184 HydrophobicContact CB-CZ 3.76Å; F184-F196 AromaticContact CD2-CD1 3.78Å; F184-F196 HydrophobicContact CD2-CD1 3.78Å; F184-F196 HydrophobicContact CD2-CE1 4.35Å; F184-F196 HydrophobicContact CE2-CD1 4.42Å; F184-F196 PolarHBondContact N-O 3.3Å; F184-F196 PolarHBondContact O-N 3.4Å; F184-L220 HydrophobicContact CZ-CD2 4.38Å; F184-A223 HydrophobicContact CE1-CB 3.97Å; F184-A223 HydrophobicContact CZ-CB 3.84Å; F184-I225 HydrophobicContact CB-CD1 4.14Å; F184-I225 HydrophobicContact CB-CG1 4.48Å; F184-I225 HydrophobicContact CD1-CD1 4.35Å; F184-I225 HydrophobicContact CD1-CG1 3.92Å; F184-L239 HydrophobicContact CB-CD2 4.35Å; F184-L241 HydrophobicContact CD1-CD1 4.38Å; F184-L241 HydrophobicContact CD1-CD2 3.48Å; F184-L241 VanDerWaalsContact CD1-CD2 3.48Å; F184-L241 HydrophobicContact CD2-CD1 4.23Å; F184-L241 HydrophobicContact CE1-CD1 4.03Å; F184-L241 HydrophobicContact CE1-CD2 3.62Å; F184-L241 HydrophobicContact CE1-CG 4.46Å; F184-L241 HydrophobicContact CE2-CD1 3.81Å; F184-L241 HydrophobicContact CG-CD1 4.45Å; F184-L241 HydrophobicContact CG-CD2 3.97Å; F184-L241 HydrophobicContact CZ-CD1 3.71Å; F184-L241 HydrophobicContact CZ-CD2 4.19Å
185S98.4Very high87.9Confident31 Ų3165.7 Ų65.722%0.21739%0.387CS..EExtended strand (participates in β ladder)trans-141143.3-179.754.60000110.8F194 L195 I225 E360S185-F194 WeakPolarHBondContact CA-O 3.33Å; S185-L195 VanDerWaalsContact CB-CD2 3.42Å; S185-I225 VanDerWaalsContact O-CD1 3.25Å; S185-I225 WeakPolarHBondContact O-CD1 3.26Å; S185-E360 VanDerWaalsContact CB-OE1 3.23Å; S185-E360 WeakPolarHBondContact CB-OE1 3.35Å; S185-E360 PolarHBondContact OG-OE1 2.95Å
186L98.6Very high90.4Very high16 Ų1659.6 Ų59.68%0.08435%0.35CS..EExtended strand (participates in β ladder)trans-118.5146.4173.1-55.7174.7000109.5Y192 C193 F194 I225 T237 L239L186-Y192 WeakPolarHBondContact O-CA 3.38Å; L186-C193 PolarHBondContact O-N 3.3Å; L186-C193 PolarHBondContact O-SG 3.42Å; L186-F194 HydrophobicContact CB-CB 4.08Å; L186-F194 HydrophobicContact CD1-CB 4.21Å; L186-F194 HydrophobicContact CD1-CD1 3.95Å; L186-F194 HydrophobicContact CD1-CG 4.33Å; L186-F194 HydrophobicContact CG-CB 4.33Å; L186-F194 HydrophobicContact CG-CD1 4.07Å; L186-F194 PolarHBondContact N-O 3.45Å; L186-I225 HydrophobicContact CD2-CD1 4.16Å; L186-I225 HydrophobicContact CD2-CG2 3.73Å; L186-T237 HydrophobicContact CD1-CG2 4.12Å; L186-L239 HydrophobicContact CD1-CD1 4.23Å; L186-L239 HydrophobicContact CD2-CD1 4.07Å; L186-L239 HydrophobicContact CG-CD1 4.25Å
187K98.1Very high92.2Very high122 Ų12256.3 Ų56.353%0.5333%0.327SS..EExtended strand (participates in β ladder)trans-115.9146175.6-70.7-175.5177.8179.30111.2S191 Y192 C193K187-S191 CarbonylContact C-O 3.56Å; K187-S191 VanDerWaalsContact CA-O 3.27Å; K187-S191 WeakPolarHBondContact CA-O 3.37Å; K187-Y192 HydrophobicContact CD-CD1 4.49Å; K187-Y192 HydrophobicContact CD-CE1 4.14Å; K187-Y192 WeakPolarHBondContact CE-OH 3.28Å; K187-Y192 HydrophobicContact CG-CD1 3.72Å; K187-Y192 HydrophobicContact CG-CE1 3.79Å; K187-Y192 HydrophobicContact CG-CG 4.31Å; K187-Y192 PolarHBondContact NZ-OH 2.92Å; K187-C193 VanDerWaalsContact C-SG 3.56Å
188S97Very high93.8Very high73 Ų7351 Ų5151%0.5129%0.292SS..EExtended strand (participates in β ladder)trans-120.8104.7164.7-172.20000107.7N190 S191S188-N190 PolarHBondContact O-N 2.95Å; S188-S191 PolarHBondContact N-O 2.96Å; S188-S191 PolarHBondContact O-N 2.74Å
189G96Very high95.3Very high67 Ų6744.4 Ų44.469%0.69126%0.258SS*.THydrogen-bonded Turntrans64.2-123.1-167.700000111.9
190N97.2Very high96.7Very high155 Ų15541.5 Ų41.583%0.82924%0.239SC*.THydrogen-bonded Turntrans-93.9-3.1-178.4-69-13.6000113.9S188S188-N190 PolarHBondContact O-N 2.95Å
191S97.7Very high97.3Very high29 Ų2940.8 Ų40.820%0.20323%0.23CC..EExtended strand (participates in β ladder)trans-107.8143.3-177.8-62.20000111.1K187 S188 N356 N357K187-S191 CarbonylContact C-O 3.56Å; K187-S191 VanDerWaalsContact CA-O 3.27Å; K187-S191 WeakPolarHBondContact CA-O 3.37Å; S188-S191 PolarHBondContact N-O 2.96Å; S188-S191 PolarHBondContact O-N 2.74Å; S191-N356 WeakPolarHBondContact CB-OD1 3.37Å; S191-N356 PolarHBondContact OG-OD1 2.68Å; S191-N357 CarbonylContact C-O 3.52Å; S191-N357 WeakPolarHBondContact CA-O 3.46Å
192Y98.4Very high97.5Very high27 Ų2738.4 Ų38.411%0.10622%0.215CC..EExtended strand (participates in β ladder)trans-67.8133.5163-67.5-79.3000109.2L186 K187 L195 M355 N357 E360L186-Y192 WeakPolarHBondContact O-CA 3.38Å; K187-Y192 HydrophobicContact CD-CD1 4.49Å; K187-Y192 HydrophobicContact CD-CE1 4.14Å; K187-Y192 WeakPolarHBondContact CE-OH 3.28Å; K187-Y192 HydrophobicContact CG-CD1 3.72Å; K187-Y192 HydrophobicContact CG-CE1 3.79Å; K187-Y192 HydrophobicContact CG-CG 4.31Å; K187-Y192 PolarHBondContact NZ-OH 2.92Å; Y192-L195 HydrophobicContact CD1-CD2 4.24Å; Y192-M355 CarbonylContact O-C 3.57Å; Y192-M355 VanDerWaalsContact O-CG 3.29Å; Y192-M355 WeakPolarHBondContact O-CG 3.32Å; Y192-N357 PolarHBondContact N-O 3.29Å; Y192-N357 PolarHBondContact O-N 3.3Å; Y192-E360 HydrophobicContact CD1-CB 4.45Å; Y192-E360 HydrophobicContact CD1-CG 4.02Å; Y192-E360 HydrophobicContact CD2-CB 4.06Å; Y192-E360 HydrophobicContact CD2-CG 4.5Å; Y192-E360 HydrophobicContact CE1-CB 3.94Å; Y192-E360 HydrophobicContact CE1-CG 3.56Å; Y192-E360 HydrophobicContact CE2-CB 3.51Å; Y192-E360 HydrophobicContact CE2-CG 4.1Å; Y192-E360 HydrophobicContact CG-CB 4.49Å; Y192-E360 HydrophobicContact CG-CG 4.46Å; Y192-E360 VanDerWaalsContact CZ-CB 3.42Å; Y192-E360 PolarHBondContact OH-OE2 2.83Å
193C98.2Very high97.6Very high8 Ų837.4 Ų37.45%0.05421%0.21CC..EExtended strand (participates in β ladder)trans-111.2-19178.453.60000112.7L186 K187 C232 F354 M355L186-C193 PolarHBondContact O-N 3.3Å; L186-C193 PolarHBondContact O-SG 3.42Å; K187-C193 VanDerWaalsContact C-SG 3.56Å; C193-C232 HydrophobicContact CB-CB 3.5Å; C193-C232 WeakPolarHBondContact CB-SG 3.39Å; C193-C232 WeakPolarHBondContact SG-CB 3.48Å; C193-C232 CovalentContact SG-SG 2.02Å; C193-C232 PolarHBondContact SG-SG 3.5Å; C193-F354 PolarHBondContact O-N 2.85Å; C193-M355 WeakPolarHBondContact CA-O 3.47Å; C193-M355 WeakPolarHBondContact O-CG 3.46Å; C193-M355 PolarHBondContact O-N 2.75Å; C193-M355 VanDerWaalsContact O-N 3.08Å
194F98.7Very high97.5Very high0 Ų032.9 Ų32.90%019%0.191CC..EExtended strand (participates in β ladder)trans-155.8135.8-176.3-179.3-101000110.9S185 L186 F196 T237 L239 F260 V351 E352 A353S185-F194 WeakPolarHBondContact CA-O 3.33Å; L186-F194 HydrophobicContact CB-CB 4.08Å; L186-F194 HydrophobicContact CD1-CB 4.21Å; L186-F194 HydrophobicContact CD1-CD1 3.95Å; L186-F194 HydrophobicContact CD1-CG 4.33Å; L186-F194 HydrophobicContact CG-CB 4.33Å; L186-F194 HydrophobicContact CG-CD1 4.07Å; L186-F194 PolarHBondContact N-O 3.45Å; F194-F196 HydrophobicContact CD1-CB 4.29Å; F194-F196 HydrophobicContact CE1-CB 3.35Å; F194-F196 HydrophobicContact CE1-CG 4.29Å; F194-F196 HydrophobicContact CZ-CB 3.59Å; F194-F196 HydrophobicContact CZ-CD2 4.21Å; F194-F196 HydrophobicContact CZ-CG 4.24Å; F194-T237 HydrophobicContact CB-CG2 3.82Å; F194-T237 HydrophobicContact CD1-CG2 4.41Å; F194-T237 HydrophobicContact CD2-CG2 3.58Å; F194-T237 HydrophobicContact CE2-CG2 4.22Å; F194-T237 HydrophobicContact CG-CG2 3.69Å; F194-L239 HydrophobicContact CE1-CB 3.88Å; F194-L239 HydrophobicContact CE1-CD1 4.42Å; F194-L239 HydrophobicContact CE1-CD2 3.67Å; F194-L239 HydrophobicContact CE1-CG 4.17Å; F194-L239 HydrophobicContact CZ-CB 4.34Å; F194-L239 HydrophobicContact CZ-CD2 4.32Å; F194-F260 HydrophobicContact CE2-CD1 4.36Å; F194-F260 AromaticContact CE2-CD2 3.63Å; F194-F260 HydrophobicContact CE2-CD2 3.63Å; F194-F260 HydrophobicContact CE2-CE1 4.18Å; F194-F260 AromaticContact CE2-CE2 3.45Å; F194-F260 HydrophobicContact CE2-CE2 3.45Å; F194-F260 VanDerWaalsContact CE2-CE2 3.45Å; F194-F260 HydrophobicContact CE2-CG 4.1Å; F194-F260 AromaticContact CE2-CZ 3.75Å; F194-F260 HydrophobicContact CE2-CZ 3.75Å; F194-F260 AromaticContact CZ-CD2 3.93Å; F194-F260 HydrophobicContact CZ-CD2 3.93Å; F194-F260 AromaticContact CZ-CE2 3.34Å; F194-F260 HydrophobicContact CZ-CE2 3.34Å; F194-F260 AromaticContact CZ-CZ 3.71Å; F194-F260 HydrophobicContact CZ-CZ 3.71Å; F194-V351 HydrophobicContact CE2-CG2 3.67Å; F194-V351 HydrophobicContact CZ-CG2 3.93Å; F194-E352 CarbonylContact C-O 3.47Å; F194-E352 WeakPolarHBondContact CA-O 3.46Å; F194-A353 HydrophobicContact CD2-CB 3.67Å; F194-A353 HydrophobicContact CE2-CB 4.01Å
195L98.7Very high97.4Very high0 Ų034.4 Ų34.40%020%0.198CC..EExtended strand (participates in β ladder)trans-127.5134.4169.6-61.1-178.8000109S185 Y192 V351 E352 M355 E360 A361 F362S185-L195 VanDerWaalsContact CB-CD2 3.42Å; Y192-L195 HydrophobicContact CD1-CD2 4.24Å; L195-V351 WeakPolarHBondContact O-CA 3.47Å; L195-E352 PolarHBondContact N-O 2.96Å; L195-E352 PolarHBondContact O-N 3.06Å; L195-M355 HydrophobicContact CB-CE 4.34Å; L195-M355 HydrophobicContact CD1-CE 3.6Å; L195-M355 HydrophobicContact CD1-SD 4.11Å; L195-M355 HydrophobicContact CG-CE 3.69Å; L195-M355 HydrophobicContact CG-SD 3.81Å; L195-E360 HydrophobicContact CD2-CG 3.58Å; L195-A361 VanDerWaalsContact CD1-O 3.3Å; L195-A361 WeakPolarHBondContact CD1-O 3.04Å; L195-F362 HydrophobicContact CB-CD1 4.27Å; L195-F362 HydrophobicContact CB-CE1 3.67Å; L195-F362 HydrophobicContact CB-CZ 3.97Å; L195-F362 HydrophobicContact CD1-CD1 4.37Å; L195-F362 HydrophobicContact CD1-CE1 4.49Å
196F98.6Very high97.2Very high0 Ų033.4 Ų33.40%019%0.189CC..EExtended strand (participates in β ladder)trans-138.8130177.2176.6-88.1000109.8K183 F184 F194 I200 L239 L258 F260 M346 L349 K350 V351K183-F196 CarbonylContact C-O 3.19Å; K183-F196 WeakPolarHBondContact CA-O 3.32Å; F184-F196 AromaticContact CD2-CD1 3.78Å; F184-F196 HydrophobicContact CD2-CD1 3.78Å; F184-F196 HydrophobicContact CD2-CE1 4.35Å; F184-F196 HydrophobicContact CE2-CD1 4.42Å; F184-F196 PolarHBondContact N-O 3.3Å; F184-F196 PolarHBondContact O-N 3.4Å; F194-F196 HydrophobicContact CD1-CB 4.29Å; F194-F196 HydrophobicContact CE1-CB 3.35Å; F194-F196 HydrophobicContact CE1-CG 4.29Å; F194-F196 HydrophobicContact CZ-CB 3.59Å; F194-F196 HydrophobicContact CZ-CD2 4.21Å; F194-F196 HydrophobicContact CZ-CG 4.24Å; F196-I200 HydrophobicContact CE1-CD1 3.74Å; F196-I200 HydrophobicContact CZ-CD1 3.93Å; F196-L239 HydrophobicContact CB-CD2 4.1Å; F196-L239 HydrophobicContact CD1-CD2 4.03Å; F196-L239 HydrophobicContact CG-CD2 4.08Å; F196-L258 HydrophobicContact CD2-CD1 4.1Å; F196-L258 HydrophobicContact CE1-CD1 4.18Å; F196-L258 HydrophobicContact CE2-CD1 3.6Å; F196-L258 HydrophobicContact CZ-CD1 3.66Å; F196-F260 HydrophobicContact CD2-CZ 4.41Å; F196-M346 HydrophobicContact CZ-SD 4.37Å; F196-L349 HydrophobicContact CD2-CD1 4.07Å; F196-L349 HydrophobicContact CE2-CD1 3.41Å; F196-L349 VanDerWaalsContact CE2-CD1 3.41Å; F196-L349 HydrophobicContact CZ-CD1 3.88Å; F196-K350 CarbonylContact C-O 3.37Å; F196-K350 WeakPolarHBondContact CA-O 3.37Å; F196-V351 HydrophobicContact CD2-CB 4.07Å; F196-V351 HydrophobicContact CD2-CG2 4.03Å
197Q98.1Very high96.9Very high52 Ų5234.8 Ų34.824%0.24320%0.196CC..EExtended strand (participates in β ladder)trans-136.1126.9-179.4178.3179.9-37.700108.8V181 H182 L349 K350 F362V181-Q197 HydrophobicContact CG1-CG 3.32Å; H182-Q197 CarbonylContact O-C 3.59Å; H182-Q197 WeakPolarHBondContact O-CA 3.38Å; Q197-L349 CarbonylContact O-C 3.52Å; Q197-L349 VanDerWaalsContact O-CA 3.29Å; Q197-L349 WeakPolarHBondContact O-CA 3.44Å; Q197-K350 HydrophobicContact CB-CB 4.24Å; Q197-K350 PolarHBondContact N-O 3.05Å; Q197-K350 PolarHBondContact O-N 2.96Å; Q197-F362 HydrophobicContact CB-CE2 4.23Å; Q197-F362 HydrophobicContact CB-CZ 4Å
198S97.6Very high96.7Very high0 Ų029 Ų290%017%0.171CC..EExtended strand (participates in β ladder)trans-165.3152176.9-171.20000110.8H182 M346 K347H182-S198 PolarHBondContact N-O 3.39Å; H182-S198 PolarHBondContact O-N 2.93Å; S198-M346 WeakPolarHBondContact OG-CB 3.35Å; S198-K347 PolarHBondContact OG-O 2.97Å
199D96.1Very high96.6Very high21 Ų2131.5 Ų31.511%0.11218%0.175CC..EExtended strand (participates in β ladder)trans-88.1118.7155.6173.816000107.6V181 M346 K347V181-D199 HydrophobicContact CG2-CB 4.46Å; D199-M346 WeakPolarHBondContact O-CA 3.14Å; D199-K347 HydrophobicContact CB-CB 4.18Å; D199-K347 PolarHBondContact N-O 2.81Å; D199-K347 PolarHBondContact O-N 2.83Å
200I96.6Very high96.5Very high0 Ų031.8 Ų31.80%017%0.166CC..EExtended strand (participates in β ladder)trans-114125.9-171.9-64.5175.4000109.1F196 F202 T219 L220 L256 L344 M346F196-I200 HydrophobicContact CE1-CD1 3.74Å; F196-I200 HydrophobicContact CZ-CD1 3.93Å; I200-F202 HydrophobicContact CG2-CD2 4.06Å; I200-F202 HydrophobicContact CG2-CE1 4.46Å; I200-F202 HydrophobicContact CG2-CE2 3.47Å; I200-F202 VanDerWaalsContact CG2-CE2 3.47Å; I200-F202 HydrophobicContact CG2-CZ 3.71Å; I200-T219 WeakPolarHBondContact O-CA 3.46Å; I200-T219 WeakPolarHBondContact O-CG2 3.39Å; I200-L220 HydrophobicContact CB-CB 3.82Å; I200-L220 HydrophobicContact CB-CD2 4.01Å; I200-L220 HydrophobicContact CD1-CD2 3.68Å; I200-L220 HydrophobicContact CG1-CD2 4.32Å; I200-L220 HydrophobicContact CG2-CB 4.09Å; I200-L220 HydrophobicContact CG2-CD2 4.37Å; I200-L220 PolarHBondContact O-N 2.82Å; I200-L256 HydrophobicContact CD1-CD2 4.02Å; I200-L344 HydrophobicContact CG2-CD1 3.6Å; I200-M346 HydrophobicContact CG1-CG 4.26Å
201M95.9Very high96.3Very high51 Ų5133.5 Ų33.525%0.25117%0.166SC..EExtended strand (participates in β ladder)trans-126.6141.6173.3-179.7-175.767.500110.3F218 F345M201-F218 WeakPolarHBondContact CA-O 3.45Å; M201-F218 WeakPolarHBondContact CG-O 3.35Å; M201-F345 HydrophobicContact CB-CB 4.28Å; M201-F345 HydrophobicContact CE-CB 3.94Å; M201-F345 HydrophobicContact CE-CD1 4.37Å; M201-F345 HydrophobicContact CE-CD2 3.47Å; M201-F345 VanDerWaalsContact CE-CD2 3.47Å; M201-F345 HydrophobicContact CE-CE2 4.03Å; M201-F345 HydrophobicContact CE-CG 3.66Å; M201-F345 PolarHBondContact N-O 2.74Å; M201-F345 PolarHBondContact O-N 2.93Å
202F96.5Very high96.1Very high0 Ų037.3 Ų37.30%018%0.184CC..EExtended strand (participates in β ladder)trans-117146.2176.5-62.2-87.2000110.1I200 K217 F218 L220 F243 L256 L286 K343 L344I200-F202 HydrophobicContact CG2-CD2 4.06Å; I200-F202 HydrophobicContact CG2-CE1 4.46Å; I200-F202 HydrophobicContact CG2-CE2 3.47Å; I200-F202 VanDerWaalsContact CG2-CE2 3.47Å; I200-F202 HydrophobicContact CG2-CZ 3.71Å; F202-K217 VanDerWaalsContact O-CA 3.27Å; F202-K217 WeakPolarHBondContact O-CA 3.49Å; F202-F218 HydrophobicContact CB-CD1 4.11Å; F202-F218 HydrophobicContact CB-CD2 4.26Å; F202-F218 HydrophobicContact CB-CE1 3.45Å; F202-F218 VanDerWaalsContact CB-CE1 3.45Å; F202-F218 HydrophobicContact CB-CE2 3.62Å; F202-F218 HydrophobicContact CB-CG 4.47Å; F202-F218 HydrophobicContact CB-CZ 3.16Å; F202-F218 HydrophobicContact CD1-CZ 4.4Å; F202-F218 AromaticContact CD2-CD2 3.94Å; F202-F218 HydrophobicContact CD2-CD2 3.94Å; F202-F218 AromaticContact CD2-CE2 3.14Å; F202-F218 HydrophobicContact CD2-CE2 3.14Å; F202-F218 AromaticContact CD2-CZ 3.52Å; F202-F218 HydrophobicContact CD2-CZ 3.52Å; F202-F218 AromaticContact CE2-CE2 3.93Å; F202-F218 HydrophobicContact CE2-CE2 3.93Å; F202-F218 HydrophobicContact CE2-CZ 4.44Å; F202-F218 HydrophobicContact CG-CE1 4.26Å; F202-F218 AromaticContact CG-CE2 3.64Å; F202-F218 HydrophobicContact CG-CE2 3.64Å; F202-F218 AromaticContact CG-CZ 3.46Å; F202-F218 HydrophobicContact CG-CZ 3.46Å; F202-F218 VanDerWaalsContact CG-CZ 3.46Å; F202-F218 PolarHBondContact N-O 3.45Å; F202-F218 PolarHBondContact O-N 3.34Å; F202-L220 HydrophobicContact CE2-CB 4.37Å; F202-L220 HydrophobicContact CE2-CD1 4.38Å; F202-F243 AromaticContact CE2-CZ 3.96Å; F202-F243 HydrophobicContact CE2-CZ 3.96Å; F202-F243 HydrophobicContact CZ-CZ 4.36Å; F202-L256 HydrophobicContact CE1-CD1 4.08Å; F202-L256 HydrophobicContact CZ-CB 4.43Å; F202-L256 HydrophobicContact CZ-CD1 3.95Å; F202-L256 HydrophobicContact CZ-CD2 3.99Å; F202-L256 HydrophobicContact CZ-CG 4.33Å; F202-L286 HydrophobicContact CD1-CD1 4.47Å; F202-L286 HydrophobicContact CD1-CD2 3.68Å; F202-L286 HydrophobicContact CE1-CB 4.47Å; F202-L286 HydrophobicContact CE1-CD1 3.89Å; F202-L286 HydrophobicContact CE1-CD2 3.82Å; F202-L286 HydrophobicContact CE1-CG 4.27Å; F202-L286 HydrophobicContact CG-CD2 4.38Å; F202-L286 HydrophobicContact CZ-CD1 3.98Å; F202-K343 CarbonylContact C-O 3.48Å; F202-K343 WeakPolarHBondContact CA-O 3.45Å; F202-L344 HydrophobicContact CD1-CD1 3.96Å; F202-L344 HydrophobicContact CE1-CD1 3.66Å; F202-L344 HydrophobicContact CZ-CD1 4.12Å
203Q96.9Very high95.8Very high25 Ų2540.7 Ų40.712%0.11721%0.207CC..EExtended strand (participates in β ladder)trans-125.4103166.9-175175.97.100108.8F205 S215 Y216 K217 C342 K343 F345Q203-F205 HydrophobicContact CB-CE2 4.11Å; Q203-F205 HydrophobicContact CG-CD2 4.39Å; Q203-F205 HydrophobicContact CG-CE1 4.46Å; Q203-F205 HydrophobicContact CG-CE2 3.6Å; Q203-F205 HydrophobicContact CG-CZ 3.66Å; Q203-F205 WeakPolarHBondContact O-CD2 3.45Å; Q203-F205 WeakPolarHBondContact O-CE2 3.29Å; Q203-S215 PolarHBondContact NE2-OG 3Å; Q203-Y216 CarbonylContact C-O 3.5Å; Q203-Y216 WeakPolarHBondContact CA-O 3Å; Q203-K217 HydrophobicContact CB-CG 3.88Å; Q203-K217 HydrophobicContact CG-CD 4.45Å; Q203-K217 HydrophobicContact CG-CG 3.66Å; Q203-K217 VanDerWaalsContact NE2-CE 3.34Å; Q203-C342 CarbonylContact O-C 3.56Å; Q203-C342 WeakPolarHBondContact O-CA 3.16Å; Q203-K343 HydrophobicContact CB-CB 4.24Å; Q203-K343 PolarHBondContact N-O 2.87Å; Q203-K343 PolarHBondContact O-N 2.9Å; Q203-F345 HydrophobicContact CB-CE2 3.97Å
204V96.4Very high95.7Very high0 Ų043.2 Ų43.20%022%0.217CC..EExtended strand (participates in β ladder)trans-87.3127.3178.9171.30000109.3S215 Y216 F218 Y288 F295 C342V204-S215 CarbonylContact O-C 3.57Å; V204-S215 WeakPolarHBondContact O-CA 3.44Å; V204-Y216 PolarHBondContact N-O 2.81Å; V204-Y216 PolarHBondContact O-N 3.13Å; V204-F218 HydrophobicContact CG2-CE1 3.77Å; V204-F218 HydrophobicContact CG2-CZ 4.4Å; V204-Y288 HydrophobicContact CG1-CD2 4.48Å; V204-Y288 HydrophobicContact CG1-CE1 4.44Å; V204-Y288 HydrophobicContact CG1-CE2 3.59Å; V204-Y288 WeakPolarHBondContact CG1-OH 3.35Å; V204-Y288 HydrophobicContact CG2-CE1 4.41Å; V204-Y288 HydrophobicContact CG2-CE2 4.35Å; V204-F295 HydrophobicContact CB-CE1 4Å; V204-F295 HydrophobicContact CB-CZ 4.35Å; V204-F295 HydrophobicContact CG1-CE1 3.65Å; V204-F295 HydrophobicContact CG1-CZ 4.04Å; V204-C342 HydrophobicContact CG2-CB 4.31Å
205F95.9Very high95.5Very high46 Ų4645.9 Ų45.920%0.20224%0.236CC..EExtended strand (participates in β ladder)trans-102.5131.8174.5-62.1-97.8000109.4Q203 V213 K214 N340 N341 K343Q203-F205 HydrophobicContact CB-CE2 4.11Å; Q203-F205 HydrophobicContact CG-CD2 4.39Å; Q203-F205 HydrophobicContact CG-CE1 4.46Å; Q203-F205 HydrophobicContact CG-CE2 3.6Å; Q203-F205 HydrophobicContact CG-CZ 3.66Å; Q203-F205 WeakPolarHBondContact O-CD2 3.45Å; Q203-F205 WeakPolarHBondContact O-CE2 3.29Å; F205-V213 HydrophobicContact CB-CG1 4.14Å; F205-V213 HydrophobicContact CD1-CG1 4.12Å; F205-K214 WeakPolarHBondContact CA-O 3.32Å; F205-N340 WeakPolarHBondContact O-CB 3.44Å; F205-N341 WeakPolarHBondContact CB-O 3.05Å; F205-N341 WeakPolarHBondContact CD2-O 3.27Å; F205-N341 PolarHBondContact N-O 2.93Å; F205-K343 HydrophobicContact CE2-CB 4.27Å; F205-K343 HydrophobicContact CE2-CD 3.5Å; F205-K343 HydrophobicContact CE2-CG 3.64Å; F205-K343 HydrophobicContact CZ-CD 3.68Å; F205-K343 HydrophobicContact CZ-CG 4.33Å
206Y94.3Very high95.3Very high10 Ų1048.5 Ų48.54%0.03925%0.246CC..EExtended strand (participates in β ladder)trans-140.6150-178.468.2-81.3000111.1K214 F295 P296Y206-K214 HydrophobicContact CD1-CB 4.16Å; Y206-K214 HydrophobicContact CD2-CB 4.43Å; Y206-K214 HydrophobicContact CE1-CB 3.57Å; Y206-K214 HydrophobicContact CE2-CB 3.88Å; Y206-K214 HydrophobicContact CE2-CD 4.01Å; Y206-K214 HydrophobicContact CE2-CG 4.46Å; Y206-K214 VanDerWaalsContact CZ-CB 3.42Å; Y206-K214 PolarHBondContact N-O 2.87Å; Y206-K214 PolarHBondContact O-N 3.29Å; Y206-K214 WeakPolarHBondContact OH-CD 3.48Å; Y206-F295 AromaticContact CD1-CD1 3.54Å; Y206-F295 HydrophobicContact CD1-CD1 3.54Å; Y206-F295 HydrophobicContact CD1-CE1 4.23Å; Y206-F295 HydrophobicContact CD1-CG 4.48Å; Y206-F295 HydrophobicContact CD2-CB 4.3Å; Y206-F295 HydrophobicContact CE1-CB 4.38Å; Y206-F295 AromaticContact CE1-CD1 3.61Å; Y206-F295 HydrophobicContact CE1-CD1 3.61Å; Y206-F295 HydrophobicContact CE1-CE1 4.47Å; Y206-F295 HydrophobicContact CE1-CG 4.48Å; Y206-F295 HydrophobicContact CE2-CB 4.1Å; Y206-F295 HydrophobicContact CG-CD1 4.1Å; Y206-P296 PolarHBondContact OH-O 2.96Å
207N93Very high95.2Very high44 Ų4453.7 Ų53.724%0.23527%0.268CS..EExtended strand (participates in β ladder)trans-85.4132.7175.9-67.3-41.8000110.4L299N207-L299 HydrophobicContact CB-CD1 3.62Å; N207-L299 HydrophobicContact CB-CG 4.18Å; N207-L299 PolarHBondContact O-N 3.14Å
208S94Very high94.9Very high0 Ų051.5 Ų51.50%026%0.258CS..BIsolated β-bridgetrans-90.6164.2173.666.10000112.7S210 K211 L212 D297S208-S210 PolarHBondContact O-N 3.31Å; S208-S210 PolarHBondContact OG-N 3.17Å; S208-S210 PolarHBondContact OG-OG 3.28Å; S208-K211 WeakPolarHBondContact O-CA 3.4Å; S208-K211 PolarHBondContact O-N 3.46Å; S208-L212 PolarHBondContact N-O 3.36Å; S208-L212 PolarHBondContact OG-N 3.03Å; S208-L212 PolarHBondContact OG-O 3.44Å; S208-L212 VanDerWaalsContact OG-O 3.08Å; S208-D297 CarbonylContact C-O 3.36Å; S208-D297 WeakPolarHBondContact CA-O 3.46Å
209H94Very high94.7Very high126 Ų12654.5 Ų54.558%0.58328%0.277SS*.THydrogen-bonded Turntrans-56.1-26.2168.8-75.6-68.7000113.6K211 D297 S298 L299H209-K211 PolarHBondContact O-N 3.5Å; H209-D297 PolarHBondContact CD2-O 2.93Å; H209-D297 VanDerWaalsContact CD2-O 3.27Å; H209-D297 PolarHBondContact N-O 3.06Å; H209-S298 PolarHBondContact NE2-O 3.4Å; H209-L299 HydrophobicContact CB-CD2 4.42Å
210S94.8Very high94.6Very high74 Ų7453.6 Ų53.652%0.51727%0.272SS..THydrogen-bonded Turntrans-78.26.617360.70000114.3S208 L212S208-S210 PolarHBondContact O-N 3.31Å; S208-S210 PolarHBondContact OG-N 3.17Å; S208-S210 PolarHBondContact OG-OG 3.28Å; S210-L212 PolarHBondContact O-N 3.11Å
211K91.2Very high94.3Very high191 Ų19155.7 Ų55.783%0.8329%0.286SS*.SBendtrans60.223.5-175.5-53.4179.9179.6179.60113.9S208 H209S208-K211 WeakPolarHBondContact O-CA 3.4Å; S208-K211 PolarHBondContact O-N 3.46Å; H209-K211 PolarHBondContact O-N 3.5Å
212L93.6Very high94Very high109 Ų10959.2 Ų59.257%0.57131%0.307SS*.  trans-96.4144.4172.9-61.9176.7000109.6S208 S210 K214S208-L212 PolarHBondContact N-O 3.36Å; S208-L212 PolarHBondContact OG-N 3.03Å; S208-L212 PolarHBondContact OG-O 3.44Å; S208-L212 VanDerWaalsContact OG-O 3.08Å; S210-L212 PolarHBondContact O-N 3.11Å; L212-K214 PolarHBondContact O-N 2.96Å
213V93.8Very high94Very high98 Ų9860.1 Ų60.159%0.59431%0.314SS*.EExtended strand (participates in β ladder)trans-83112.9168.6-176.90000107.7F205F205-V213 HydrophobicContact CB-CG1 4.14Å; F205-V213 HydrophobicContact CD1-CG1 4.12Å
214K95.3Very high94Very high60 Ų6063.1 Ų63.126%0.26133%0.334SS..EExtended strand (participates in β ladder)trans-97.9159.8171-66.7-175.6-174.5176.60109.1F205 Y206 L212 P296 D297F205-K214 WeakPolarHBondContact CA-O 3.32Å; Y206-K214 HydrophobicContact CD1-CB 4.16Å; Y206-K214 HydrophobicContact CD2-CB 4.43Å; Y206-K214 HydrophobicContact CE1-CB 3.57Å; Y206-K214 HydrophobicContact CE2-CB 3.88Å; Y206-K214 HydrophobicContact CE2-CD 4.01Å; Y206-K214 HydrophobicContact CE2-CG 4.46Å; Y206-K214 VanDerWaalsContact CZ-CB 3.42Å; Y206-K214 PolarHBondContact N-O 2.87Å; Y206-K214 PolarHBondContact O-N 3.29Å; Y206-K214 WeakPolarHBondContact OH-CD 3.48Å; L212-K214 PolarHBondContact O-N 2.96Å; K214-P296 PolarHBondContact NZ-O 3.49Å; K214-D297 IonicContact NZ-OD2 3.7Å; K214-D297 PolarHBondContact NZ-OD2 2.88Å
215S95.2Very high94.1Very high56 Ų5665.2 Ų65.239%0.39235%0.345SS..EExtended strand (participates in β ladder)trans-133.1149.3173.378.20000112Q203 V204Q203-S215 PolarHBondContact NE2-OG 3Å; V204-S215 CarbonylContact O-C 3.57Å; V204-S215 WeakPolarHBondContact O-CA 3.44Å
216Y94.5Very high94.2Very high55 Ų5564.7 Ų64.722%0.21634%0.344CS..EExtended strand (participates in β ladder)trans-128.9126.3176.6-169.6-106.8000109.8Q203 V204 F218 Y246 L294 F295Q203-Y216 CarbonylContact C-O 3.5Å; Q203-Y216 WeakPolarHBondContact CA-O 3Å; V204-Y216 PolarHBondContact N-O 2.81Å; V204-Y216 PolarHBondContact O-N 3.13Å; Y216-F218 AromaticContact CD1-CD1 3.97Å; Y216-F218 HydrophobicContact CD1-CD1 3.97Å; Y216-F218 HydrophobicContact CE1-CB 4.17Å; Y216-F218 HydrophobicContact CE1-CD1 4.3Å; Y216-Y246 AromaticContact CE1-CE2 3.89Å; Y216-Y246 HydrophobicContact CE1-CE2 3.89Å; Y216-Y246 AromaticContact CZ-CE2 3.75Å; Y216-Y246 WeakPolarHBondContact OH-CE2 3.41Å; Y216-Y246 VanDerWaalsContact OH-CZ 3.3Å; Y216-Y246 PolarHBondContact OH-OH 3.36Å; Y216-L294 HydrophobicContact CE1-CD2 3.98Å; Y216-L294 WeakPolarHBondContact OH-CD2 3.38Å; Y216-F295 HydrophobicContact CD1-CE1 4.42Å; Y216-F295 HydrophobicContact CG-CE1 4.4Å
217K94.9Very high94.3Very high109 Ų10970.2 Ų70.247%0.47437%0.374SS..EExtended strand (participates in β ladder)trans-103.9135.4178.7-70.5-174.2176.6-177.40110.2F202 Q203F202-K217 VanDerWaalsContact O-CA 3.27Å; F202-K217 WeakPolarHBondContact O-CA 3.49Å; Q203-K217 HydrophobicContact CB-CG 3.88Å; Q203-K217 HydrophobicContact CG-CD 4.45Å; Q203-K217 HydrophobicContact CG-CG 3.66Å; Q203-K217 VanDerWaalsContact NE2-CE 3.34Å
218F92.1Very high94.5Very high6 Ų675.6 Ų75.63%0.02640%0.403CS..EExtended strand (participates in β ladder)trans-148.1148.1173.262.5-84.3000110.4M201 F202 V204 Y216 F243 Y246 W254M201-F218 WeakPolarHBondContact CA-O 3.45Å; M201-F218 WeakPolarHBondContact CG-O 3.35Å; F202-F218 HydrophobicContact CB-CD1 4.11Å; F202-F218 HydrophobicContact CB-CD2 4.26Å; F202-F218 HydrophobicContact CB-CE1 3.45Å; F202-F218 VanDerWaalsContact CB-CE1 3.45Å; F202-F218 HydrophobicContact CB-CE2 3.62Å; F202-F218 HydrophobicContact CB-CG 4.47Å; F202-F218 HydrophobicContact CB-CZ 3.16Å; F202-F218 HydrophobicContact CD1-CZ 4.4Å; F202-F218 AromaticContact CD2-CD2 3.94Å; F202-F218 HydrophobicContact CD2-CD2 3.94Å; F202-F218 AromaticContact CD2-CE2 3.14Å; F202-F218 HydrophobicContact CD2-CE2 3.14Å; F202-F218 AromaticContact CD2-CZ 3.52Å; F202-F218 HydrophobicContact CD2-CZ 3.52Å; F202-F218 AromaticContact CE2-CE2 3.93Å; F202-F218 HydrophobicContact CE2-CE2 3.93Å; F202-F218 HydrophobicContact CE2-CZ 4.44Å; F202-F218 HydrophobicContact CG-CE1 4.26Å; F202-F218 AromaticContact CG-CE2 3.64Å; F202-F218 HydrophobicContact CG-CE2 3.64Å; F202-F218 AromaticContact CG-CZ 3.46Å; F202-F218 HydrophobicContact CG-CZ 3.46Å; F202-F218 VanDerWaalsContact CG-CZ 3.46Å; F202-F218 PolarHBondContact N-O 3.45Å; F202-F218 PolarHBondContact O-N 3.34Å; V204-F218 HydrophobicContact CG2-CE1 3.77Å; V204-F218 HydrophobicContact CG2-CZ 4.4Å; Y216-F218 AromaticContact CD1-CD1 3.97Å; Y216-F218 HydrophobicContact CD1-CD1 3.97Å; Y216-F218 HydrophobicContact CE1-CB 4.17Å; Y216-F218 HydrophobicContact CE1-CD1 4.3Å; F218-F243 HydrophobicContact CD2-CE2 4.43Å; F218-F243 AromaticContact CE2-CE2 3.75Å; F218-F243 HydrophobicContact CE2-CE2 3.75Å; F218-F243 HydrophobicContact CE2-CZ 4.19Å; F218-Y246 HydrophobicContact CB-CE2 4.28Å; F218-W254 HydrophobicContact CD1-CH2 4.3Å; F218-W254 AromaticContact CD1-CZ3 3.77Å; F218-W254 HydrophobicContact CD1-CZ3 3.77Å; F218-W254 HydrophobicContact CD2-CE3 4.42Å; F218-W254 AromaticContact CD2-CZ3 3.88Å; F218-W254 HydrophobicContact CD2-CZ3 3.88Å; F218-W254 HydrophobicContact CE1-CE3 4.17Å; F218-W254 AromaticContact CE1-CH2 3.94Å; F218-W254 HydrophobicContact CE1-CH2 3.94Å; F218-W254 AromaticContact CE1-CZ3 3.27Å; F218-W254 HydrophobicContact CE1-CZ3 3.27Å; F218-W254 AromaticContact CE2-CE3 3.65Å; F218-W254 HydrophobicContact CE2-CE3 3.65Å; F218-W254 AromaticContact CE2-CZ3 3.39Å; F218-W254 HydrophobicContact CE2-CZ3 3.39Å; F218-W254 HydrophobicContact CG-CZ3 4.06Å; F218-W254 AromaticContact CZ-CE3 3.51Å; F218-W254 HydrophobicContact CZ-CE3 3.51Å; F218-W254 HydrophobicContact CZ-CH2 4.14Å; F218-W254 AromaticContact CZ-CZ3 3.06Å; F218-W254 HydrophobicContact CZ-CZ3 3.06Å
219T93.7Very high94.7Very high64 Ų6479 Ų7939%0.39342%0.419SS..EExtended strand (participates in β ladder)trans-92.6144172.5-55.90000108.9I200 S221I200-T219 WeakPolarHBondContact O-CA 3.46Å; I200-T219 WeakPolarHBondContact O-CG2 3.39Å; T219-S221 PolarHBondContact O-N 2.78Å; T219-S221 VanDerWaalsContact O-N 3.1Å
220L94.1Very high94.9Very high1 Ų173.7 Ų73.71%0.00540%0.396CS..  trans-65.4108173.4-176.367.6000108.8H182 F184 I200 F202 A223 L241 F243H182-L220 PolarHBondContact CD2-O 2.93Å; H182-L220 PolarHBondContact NE2-O 3.2Å; F184-L220 HydrophobicContact CZ-CD2 4.38Å; I200-L220 HydrophobicContact CB-CB 3.82Å; I200-L220 HydrophobicContact CB-CD2 4.01Å; I200-L220 HydrophobicContact CD1-CD2 3.68Å; I200-L220 HydrophobicContact CG1-CD2 4.32Å; I200-L220 HydrophobicContact CG2-CB 4.09Å; I200-L220 HydrophobicContact CG2-CD2 4.37Å; I200-L220 PolarHBondContact O-N 2.82Å; F202-L220 HydrophobicContact CE2-CB 4.37Å; F202-L220 HydrophobicContact CE2-CD1 4.38Å; L220-A223 HydrophobicContact CD1-CB 3.83Å; L220-A223 HydrophobicContact CD2-CB 3.97Å; L220-A223 HydrophobicContact CG-CB 3.84Å; L220-L241 HydrophobicContact CD2-CD1 4.09Å; L220-F243 HydrophobicContact CD1-CB 3.88Å; L220-F243 HydrophobicContact CD1-CD1 3.26Å; L220-F243 HydrophobicContact CD1-CD2 3.52Å; L220-F243 HydrophobicContact CD1-CE1 3.48Å; L220-F243 VanDerWaalsContact CD1-CE1 3.48Å; L220-F243 HydrophobicContact CD1-CE2 3.7Å; L220-F243 HydrophobicContact CD1-CG 3.27Å; L220-F243 HydrophobicContact CD1-CZ 3.68Å
221S89.9Confident95Very high44 Ų4472.9 Ų72.931%0.30839%0.388SS..  trans-121.8144.5175.762.40000110T219 A223T219-S221 PolarHBondContact O-N 2.78Å; T219-S221 VanDerWaalsContact O-N 3.1Å; S221-A223 VanDerWaalsContact C-N 3.3Å; S221-A223 PolarHBondContact O-N 3.03Å
222N90.3Very high95.4Very high126 Ų12665 Ų6567%0.67436%0.356SS*.SBendtrans58.137.6176.2-51.9-31.8000113.9
223A95.8Very high95.5Very high19 Ų1961.6 Ų61.616%0.15734%0.342CS..  trans-76.5136.7175.600000111.6F184 L220 S221 T242 F243F184-A223 HydrophobicContact CE1-CB 3.97Å; F184-A223 HydrophobicContact CZ-CB 3.84Å; L220-A223 HydrophobicContact CD1-CB 3.83Å; L220-A223 HydrophobicContact CD2-CB 3.97Å; L220-A223 HydrophobicContact CG-CB 3.84Å; S221-A223 VanDerWaalsContact C-N 3.3Å; S221-A223 PolarHBondContact O-N 3.03Å; A223-T242 WeakPolarHBondContact CA-O 3.26Å; A223-F243 HydrophobicContact CB-CB 3.98Å
224T96.9Very high95.7Very high88 Ų8864 Ų6454%0.5435%0.347SS..EExtended strand (participates in β ladder)trans-118.2145.2174.859.10000109.5L241 T242T224-L241 WeakPolarHBondContact O-CA 3.34Å; T224-T242 PolarHBondContact N-O 3.29Å; T224-T242 PolarHBondContact O-N 3.17Å; T224-T242 PolarHBondContact OG1-O 3.25Å
225I98.2Very high95.8Very high43 Ų4366.2 Ų66.222%0.22136%0.358CS..EExtended strand (participates in β ladder)trans-68.9134.3173.8-59.3176.2000108.6F184 S185 L186 S230 L239 L241F184-I225 HydrophobicContact CB-CD1 4.14Å; F184-I225 HydrophobicContact CB-CG1 4.48Å; F184-I225 HydrophobicContact CD1-CD1 4.35Å; F184-I225 HydrophobicContact CD1-CG1 3.92Å; S185-I225 VanDerWaalsContact O-CD1 3.25Å; S185-I225 WeakPolarHBondContact O-CD1 3.26Å; L186-I225 HydrophobicContact CD2-CD1 4.16Å; L186-I225 HydrophobicContact CD2-CG2 3.73Å; I225-S230 WeakPolarHBondContact CG2-OG 3.36Å; I225-L239 HydrophobicContact CG1-CD1 4.34Å; I225-L239 HydrophobicContact CG2-CD1 4.39Å; I225-L241 HydrophobicContact CG1-CD2 3.96Å
226N97.7Very high95.9Very high35 Ų3568.2 Ų68.219%0.18736%0.357CS..  trans-90.595.4168.6-178.1-6.8000108.1N228 E229 S230 S240N226-N228 PolarHBondContact O-N 3.38Å; N226-N228 PolarHBondContact OD1-N 3.07Å; N226-E229 HydrophobicContact CB-CB 4.38Å; N226-E229 WeakPolarHBondContact ND2-CG 3.24Å; N226-E229 PolarHBondContact ND2-OE1 3.46Å; N226-E229 PolarHBondContact O-N 3.48Å; N226-E229 VanDerWaalsContact O-N 3.11Å; N226-S230 WeakPolarHBondContact O-CB 3.33Å; N226-S230 PolarHBondContact O-N 2.9Å; N226-S230 PolarHBondContact O-OG 2.74Å; N226-S240 PolarHBondContact N-O 3.39Å
227D96.7Very high96.1Very high127 Ų12765.7 Ų65.768%0.67935%0.347SS*.THydrogen-bonded Turntrans-62.1-28.5-175-64-35.4000112.8E229D227-E229 VanDerWaalsContact C-N 3.27Å; D227-E229 PolarHBondContact O-N 3.06Å
228N97.3Very high96.3Very high156 Ų15663.2 Ų63.283%0.83434%0.337SS*.THydrogen-bonded Turntrans-72.8-22.8179.1-65.1-24.1000112.8N226N226-N228 PolarHBondContact O-N 3.38Å; N226-N228 PolarHBondContact OD1-N 3.07Å
229E97.6Very high96.6Very high72 Ų7262.9 Ų62.934%0.33634%0.335SS..THydrogen-bonded Turntrans-109.7-17.7-178.3-73.6-175.3-165.100113.7N226 D227 K238 S240N226-E229 HydrophobicContact CB-CB 4.38Å; N226-E229 WeakPolarHBondContact ND2-CG 3.24Å; N226-E229 PolarHBondContact ND2-OE1 3.46Å; N226-E229 PolarHBondContact O-N 3.48Å; N226-E229 VanDerWaalsContact O-N 3.11Å; D227-E229 VanDerWaalsContact C-N 3.27Å; D227-E229 PolarHBondContact O-N 3.06Å; E229-K238 WeakPolarHBondContact O-CD 3.19Å; E229-K238 VanDerWaalsContact O-CE 3.29Å; E229-K238 WeakPolarHBondContact O-CE 3.5Å; E229-K238 PolarHBondContact O-NZ 3.4Å; E229-S240 WeakPolarHBondContact OE2-CB 3.49Å; E229-S240 PolarHBondContact OE2-OG 3.46Å
230S98.5Very high96.8Very high15 Ų1559.9 Ų59.911%0.10532%0.317CS..  trans-85.8130.3178.8-56.60000109.6I225 N226 K238 S240I225-S230 WeakPolarHBondContact CG2-OG 3.36Å; N226-S230 WeakPolarHBondContact O-CB 3.33Å; N226-S230 PolarHBondContact O-N 2.9Å; N226-S230 PolarHBondContact O-OG 2.74Å; S230-K238 CarbonylContact C-O 3.57Å; S230-K238 WeakPolarHBondContact CA-O 3.31Å; S230-S240 PolarHBondContact OG-N 3.39Å; S230-S240 PolarHBondContact OG-O 3.12Å
231V98.3Very high97Very high57 Ų5759.8 Ų59.835%0.34532%0.316SS..EExtended strand (participates in β ladder)trans-140.6134.6-171.7179.80000109.3Y236 T237 K238V231-Y236 HydrophobicContact CB-CE2 4.23Å; V231-Y236 HydrophobicContact CG1-CE2 4.06Å; V231-T237 CarbonylContact O-C 3.45Å; V231-T237 VanDerWaalsContact O-CA 3.29Å; V231-T237 WeakPolarHBondContact O-CA 3.16Å; V231-K238 PolarHBondContact N-O 3.43Å; V231-K238 PolarHBondContact O-N 3.47Å
232C97.9Very high97.4Very high25 Ų2558.6 Ų58.617%0.16931%0.307CS..EExtended strand (participates in β ladder)trans-111112.1164.7-77.90000109.2C193C193-C232 HydrophobicContact CB-CB 3.5Å; C193-C232 WeakPolarHBondContact CB-SG 3.39Å; C193-C232 WeakPolarHBondContact SG-CB 3.48Å; C193-C232 CovalentContact SG-SG 2.02Å; C193-C232 PolarHBondContact SG-SG 3.5Å
233S97.5Very high97.7Very high38 Ų3852.9 Ų52.927%0.26628%0.277SS..  trans-116.7176.4172.275.80000110.3H235 Y236S233-H235 VanDerWaalsContact C-N 3.27Å; S233-H235 PolarHBondContact O-N 2.78Å; S233-H235 PolarHBondContact OG-N 3.01Å; S233-Y236 WeakPolarHBondContact CA-O 3.34Å; S233-Y236 WeakPolarHBondContact CB-O 3.22Å; S233-Y236 PolarHBondContact N-O 3.01Å; S233-Y236 WeakPolarHBondContact OG-CD1 3.23Å; S233-Y236 WeakPolarHBondContact OG-CE1 3.48Å; S233-Y236 PolarHBondContact OG-N 3.45Å; S233-Y236 PolarHBondContact OG-O 2.76Å
234E96.7Very high97.5Very high149 Ų14953.6 Ų53.670%0.69628%0.277SS*.SBendtrans-67.5-28.3176.9-62.8-174.5171.900112.9R262E234-R262 WeakPolarHBondContact O-CD 3.44Å
235H97.5Very high97Very high106 Ų10650.1 Ų50.149%0.49126%0.256SS..SBendtrans-107.8-27-172.6-60.1-59.7000114.2S233 R262 E264S233-H235 VanDerWaalsContact C-N 3.27Å; S233-H235 PolarHBondContact O-N 2.78Å; S233-H235 PolarHBondContact OG-N 3.01Å; H235-R262 WeakPolarHBondContact O-CB 3Å; H235-R262 PolarHBondContact O-N 3.26Å; H235-E264 IonicContact CE1-OE1 2.71Å
236Y98.2Very high96.2Very high98 Ų9854.4 Ų54.438%0.38427%0.271SS..EExtended strand (participates in β ladder)trans-144.8152.4177.570.1-87.9000111.7V231 S233 L259 F260 N261V231-Y236 HydrophobicContact CB-CE2 4.23Å; V231-Y236 HydrophobicContact CG1-CE2 4.06Å; S233-Y236 WeakPolarHBondContact CA-O 3.34Å; S233-Y236 WeakPolarHBondContact CB-O 3.22Å; S233-Y236 PolarHBondContact N-O 3.01Å; S233-Y236 WeakPolarHBondContact OG-CD1 3.23Å; S233-Y236 WeakPolarHBondContact OG-CE1 3.48Å; S233-Y236 PolarHBondContact OG-N 3.45Å; S233-Y236 PolarHBondContact OG-O 2.76Å; Y236-L259 HydrophobicContact CD2-CD1 4.04Å; Y236-F260 CarbonylContact C-O 3.54Å; Y236-F260 WeakPolarHBondContact CA-O 3.34Å; Y236-F260 WeakPolarHBondContact CB-O 3.3Å; Y236-N261 WeakPolarHBondContact CB-OD1 2.98Å
237T98.6Very high95Very high1 Ų155.3 Ų55.31%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-124.1126.6169.6-62.60000108.5L186 F194 V231 F260 F354L186-T237 HydrophobicContact CD1-CG2 4.12Å; F194-T237 HydrophobicContact CB-CG2 3.82Å; F194-T237 HydrophobicContact CD1-CG2 4.41Å; F194-T237 HydrophobicContact CD2-CG2 3.58Å; F194-T237 HydrophobicContact CE2-CG2 4.22Å; F194-T237 HydrophobicContact CG-CG2 3.69Å; V231-T237 CarbonylContact O-C 3.45Å; V231-T237 VanDerWaalsContact O-CA 3.29Å; V231-T237 WeakPolarHBondContact O-CA 3.16Å; T237-F260 PolarHBondContact N-O 2.81Å; T237-F260 PolarHBondContact O-N 3.47Å; T237-F354 WeakPolarHBondContact OG1-CE1 3.47Å
238K98.6Very high93.8Very high57 Ų5759.3 Ų59.325%0.24829%0.294CS..EExtended strand (participates in β ladder)trans-113.8121.5176.6-178.2-179.7167.8-155.90108.5E229 S230 V231 V257 L258 L259E229-K238 WeakPolarHBondContact O-CD 3.19Å; E229-K238 VanDerWaalsContact O-CE 3.29Å; E229-K238 WeakPolarHBondContact O-CE 3.5Å; E229-K238 PolarHBondContact O-NZ 3.4Å; S230-K238 CarbonylContact C-O 3.57Å; S230-K238 WeakPolarHBondContact CA-O 3.31Å; V231-K238 PolarHBondContact N-O 3.43Å; V231-K238 PolarHBondContact O-N 3.47Å; K238-V257 HydrophobicContact CD-CG1 4.15Å; K238-V257 VanDerWaalsContact CE-CG1 3.45Å; K238-V257 HydrophobicContact CG-CG1 3.85Å; K238-L258 WeakPolarHBondContact CA-O 3.1Å; K238-L259 HydrophobicContact CB-CD1 4.13Å
239L98.7Very high92.9Very high0 Ų054.9 Ų54.90%027%0.27CS..EExtended strand (participates in β ladder)trans-104.6117169.2176.466.3000108.2F184 L186 F194 F196 I225 L241 V257 L258F184-L239 HydrophobicContact CB-CD2 4.35Å; L186-L239 HydrophobicContact CD1-CD1 4.23Å; L186-L239 HydrophobicContact CD2-CD1 4.07Å; L186-L239 HydrophobicContact CG-CD1 4.25Å; F194-L239 HydrophobicContact CE1-CB 3.88Å; F194-L239 HydrophobicContact CE1-CD1 4.42Å; F194-L239 HydrophobicContact CE1-CD2 3.67Å; F194-L239 HydrophobicContact CE1-CG 4.17Å; F194-L239 HydrophobicContact CZ-CB 4.34Å; F194-L239 HydrophobicContact CZ-CD2 4.32Å; F196-L239 HydrophobicContact CB-CD2 4.1Å; F196-L239 HydrophobicContact CD1-CD2 4.03Å; F196-L239 HydrophobicContact CG-CD2 4.08Å; I225-L239 HydrophobicContact CG1-CD1 4.34Å; I225-L239 HydrophobicContact CG2-CD1 4.39Å; L239-L241 HydrophobicContact CD1-CD2 3.81Å; L239-L241 HydrophobicContact CD1-CG 4.47Å; L239-L241 HydrophobicContact CD2-CD1 4.29Å; L239-L241 HydrophobicContact CD2-CD2 4.11Å; L239-L241 HydrophobicContact CD2-CG 4.16Å; L239-L241 HydrophobicContact CG-CD2 3.96Å; L239-L241 HydrophobicContact CG-CG 4.08Å; L239-V257 CarbonylContact O-C 3.51Å; L239-V257 WeakPolarHBondContact O-CA 3.01Å; L239-L258 HydrophobicContact CB-CB 4.43Å; L239-L258 HydrophobicContact CD2-CD1 4.19Å; L239-L258 PolarHBondContact N-O 2.93Å; L239-L258 PolarHBondContact O-N 3.08Å
240S98.6Very high92.2Very high0 Ų059 Ų590%029%0.289CS..EExtended strand (participates in β ladder)trans-109.1117.2172.8-174.80000109.2N226 E229 S230 T255 L256N226-S240 PolarHBondContact N-O 3.39Å; E229-S240 WeakPolarHBondContact OE2-CB 3.49Å; E229-S240 PolarHBondContact OE2-OG 3.46Å; S230-S240 PolarHBondContact OG-N 3.39Å; S230-S240 PolarHBondContact OG-O 3.12Å; S240-T255 WeakPolarHBondContact OG-CG2 3.37Å; S240-L256 WeakPolarHBondContact CA-O 3.36Å
241L98.4Very high91.6Very high0 Ų066.2 Ų66.20%032%0.321CS..EExtended strand (participates in β ladder)trans-106.8134.1177.5-59.5-177.5000109.5F184 L220 T224 I225 L239 T255 L256F184-L241 HydrophobicContact CD1-CD1 4.38Å; F184-L241 HydrophobicContact CD1-CD2 3.48Å; F184-L241 VanDerWaalsContact CD1-CD2 3.48Å; F184-L241 HydrophobicContact CD2-CD1 4.23Å; F184-L241 HydrophobicContact CE1-CD1 4.03Å; F184-L241 HydrophobicContact CE1-CD2 3.62Å; F184-L241 HydrophobicContact CE1-CG 4.46Å; F184-L241 HydrophobicContact CE2-CD1 3.81Å; F184-L241 HydrophobicContact CG-CD1 4.45Å; F184-L241 HydrophobicContact CG-CD2 3.97Å; F184-L241 HydrophobicContact CZ-CD1 3.71Å; F184-L241 HydrophobicContact CZ-CD2 4.19Å; L220-L241 HydrophobicContact CD2-CD1 4.09Å; T224-L241 WeakPolarHBondContact O-CA 3.34Å; I225-L241 HydrophobicContact CG1-CD2 3.96Å; L239-L241 HydrophobicContact CD1-CD2 3.81Å; L239-L241 HydrophobicContact CD1-CG 4.47Å; L239-L241 HydrophobicContact CD2-CD1 4.29Å; L239-L241 HydrophobicContact CD2-CD2 4.11Å; L239-L241 HydrophobicContact CD2-CG 4.16Å; L239-L241 HydrophobicContact CG-CD2 3.96Å; L239-L241 HydrophobicContact CG-CG 4.08Å; L241-T255 CarbonylContact O-C 3.59Å; L241-T255 VanDerWaalsContact O-CA 3.24Å; L241-T255 WeakPolarHBondContact O-CA 3.35Å; L241-L256 HydrophobicContact CB-CB 4.38Å; L241-L256 HydrophobicContact CD1-CD2 4.32Å; L241-L256 PolarHBondContact N-O 3.08Å; L241-L256 PolarHBondContact O-N 2.94Å
242T97.3Very high91.3Very high19 Ų1965.4 Ų65.412%0.11731%0.313CS..EExtended strand (participates in β ladder)trans-114135.5174-56.40000109.8A223 T224 K253 W254A223-T242 WeakPolarHBondContact CA-O 3.26Å; T224-T242 PolarHBondContact N-O 3.29Å; T224-T242 PolarHBondContact O-N 3.17Å; T224-T242 PolarHBondContact OG1-O 3.25Å; T242-K253 HydrophobicContact CG2-CB 3.66Å; T242-K253 HydrophobicContact CG2-CD 3.77Å; T242-K253 HydrophobicContact CG2-CG 4.04Å; T242-W254 CarbonylContact C-O 3.5Å; T242-W254 VanDerWaalsContact CA-O 3.31Å; T242-W254 WeakPolarHBondContact CA-O 3.16Å
243F95.8Very high91.1Very high6 Ų669.3 Ų69.33%0.02633%0.328CS..EExtended strand (participates in β ladder)trans-152161.1-177.460.5-82.5000111.5F202 F218 L220 A223 W254 L256 L286F202-F243 AromaticContact CE2-CZ 3.96Å; F202-F243 HydrophobicContact CE2-CZ 3.96Å; F202-F243 HydrophobicContact CZ-CZ 4.36Å; F218-F243 HydrophobicContact CD2-CE2 4.43Å; F218-F243 AromaticContact CE2-CE2 3.75Å; F218-F243 HydrophobicContact CE2-CE2 3.75Å; F218-F243 HydrophobicContact CE2-CZ 4.19Å; L220-F243 HydrophobicContact CD1-CB 3.88Å; L220-F243 HydrophobicContact CD1-CD1 3.26Å; L220-F243 HydrophobicContact CD1-CD2 3.52Å; L220-F243 HydrophobicContact CD1-CE1 3.48Å; L220-F243 VanDerWaalsContact CD1-CE1 3.48Å; L220-F243 HydrophobicContact CD1-CE2 3.7Å; L220-F243 HydrophobicContact CD1-CG 3.27Å; L220-F243 HydrophobicContact CD1-CZ 3.68Å; A223-F243 HydrophobicContact CB-CB 3.98Å; F243-W254 HydrophobicContact CD1-CB 4.39Å; F243-W254 HydrophobicContact CD2-CB 4.18Å; F243-W254 HydrophobicContact CE1-CB 4.03Å; F243-W254 HydrophobicContact CE2-CB 3.82Å; F243-W254 HydrophobicContact CE2-CD2 4.33Å; F243-W254 AromaticContact CE2-CE3 3.66Å; F243-W254 HydrophobicContact CE2-CE3 3.66Å; F243-W254 HydrophobicContact CE2-CG 4.44Å; F243-W254 HydrophobicContact CG-CB 4.47Å; F243-W254 HydrophobicContact CZ-CB 3.74Å; F243-W254 HydrophobicContact CZ-CE3 4.13Å; F243-W254 PolarHBondContact N-O 2.71Å; F243-W254 PolarHBondContact O-N 3.09Å; F243-L256 HydrophobicContact CE1-CB 4.07Å; F243-L286 HydrophobicContact CE1-CD1 4.32Å; F243-L286 HydrophobicContact CZ-CD1 3.95Å
244I92.4Very high91Very high34 Ų3467.6 Ų67.617%0.17432%0.315CS..  trans-117.4118.6178.8-59.5163.1000108Y246 G247 N249 E250 K253I244-Y246 PolarHBondContact O-N 3.46Å; I244-G247 PolarHBondContact O-N 3.13Å; I244-N249 WeakPolarHBondContact CG2-O 3.48Å; I244-E250 HydrophobicContact CD1-CB 4.36Å; I244-E250 HydrophobicContact CD1-CG 4.05Å; I244-K253 HydrophobicContact CD1-CG 4.47Å; I244-K253 HydrophobicContact CG1-CG 3.98Å
245P86.5Confident91.1Very high15 Ų1561.7 Ų61.710%0.09729%0.289CS..G310 helixtrans-61.6124.7175.230-38.3000109.8G247 W254 L294P245-G247 PolarHBondContact O-N 3.04Å; P245-W254 HydrophobicContact CB-CD2 4.43Å; P245-W254 HydrophobicContact CB-CE3 4.2Å; P245-W254 HydrophobicContact CB-CH2 3.9Å; P245-W254 HydrophobicContact CB-CZ2 4.18Å; P245-W254 HydrophobicContact CB-CZ3 3.83Å; P245-W254 HydrophobicContact CG-CD2 3.88Å; P245-W254 HydrophobicContact CG-CE3 4.15Å; P245-W254 HydrophobicContact CG-CG 4.5Å; P245-W254 HydrophobicContact CG-CH2 3.89Å; P245-W254 HydrophobicContact CG-CZ2 3.64Å; P245-W254 HydrophobicContact CG-CZ3 4.06Å; P245-L294 HydrophobicContact CB-CD1 3.89Å; P245-L294 HydrophobicContact CG-CD1 3.68Å
246Y81.2Confident91.1Very high133 Ų13356.7 Ų56.752%0.52227%0.266SS..G310 helixtrans57.514.3177.9-63.2-86.5000116.6Y216 F218 I244 R248 L294Y216-Y246 AromaticContact CE1-CE2 3.89Å; Y216-Y246 HydrophobicContact CE1-CE2 3.89Å; Y216-Y246 AromaticContact CZ-CE2 3.75Å; Y216-Y246 WeakPolarHBondContact OH-CE2 3.41Å; Y216-Y246 VanDerWaalsContact OH-CZ 3.3Å; Y216-Y246 PolarHBondContact OH-OH 3.36Å; F218-Y246 HydrophobicContact CB-CE2 4.28Å; I244-Y246 PolarHBondContact O-N 3.46Å; Y246-R248 WeakPolarHBondContact O-CG 3.44Å; Y246-R248 PolarHBondContact O-N 3.42Å; Y246-R248 VanDerWaalsContact O-N 3.12Å; Y246-L294 HydrophobicContact CD2-CD2 4.05Å; Y246-L294 HydrophobicContact CE2-CD2 4.46Å
247G73.1Confident91.1Very high53 Ų5353.2 Ų53.255%0.54626%0.255SS..G310 helixtrans6120.2173.400000115.8I244 P245I244-G247 PolarHBondContact O-N 3.13Å; P245-G247 PolarHBondContact O-N 3.04Å
248R72.1Confident91.1Very high212 Ų21253.2 Ų53.280%0.826%0.255SS*.  trans-89.6-34.1-172-68.3-162.7-177.1-155.71.6114.9Y246Y246-R248 WeakPolarHBondContact O-CG 3.44Å; Y246-R248 PolarHBondContact O-N 3.42Å; Y246-R248 VanDerWaalsContact O-N 3.12Å
249N77Confident91.1Very high62 Ų6252.8 Ų52.833%0.33226%0.255SS..  trans-136.3105-170.9-65.9-32000111.2I244 E251 H252 D291I244-N249 WeakPolarHBondContact CG2-O 3.48Å; N249-E251 PolarHBondContact O-N 2.57Å; N249-H252 HydrophobicContact CB-CB 4.49Å; N249-H252 PolarHBondContact O-N 2.66Å; N249-D291 PolarHBondContact ND2-OD2 2.82Å
250E82.9Confident91.1Very high160 Ų16052.8 Ų52.875%0.74826%0.255SS*.THydrogen-bonded Turntrans-67.3-18.4178.5-64.7-170.7177.500113.7I244 H252 K253I244-E250 HydrophobicContact CD1-CB 4.36Å; I244-E250 HydrophobicContact CD1-CG 4.05Å; E250-H252 VanDerWaalsContact C-N 3.29Å; E250-H252 PolarHBondContact O-N 3.09Å; E250-K253 WeakPolarHBondContact O-CE 3.49Å
251E87.2Confident91.1Very high165 Ų16555 Ų5577%0.77127%0.267SS*.THydrogen-bonded Turntrans-75.9-15.3179.1-62.4-173.9176.400113.5N249 Y304N249-E251 PolarHBondContact O-N 2.57Å; E251-Y304 PolarHBondContact O-OH 2.79Å
252H90.6Very high91.1Very high40 Ų4059 Ų5919%0.18528%0.282CS..SBendtrans-122.253.7-170.5-60.8-26.8000111.6N249 E250 W254 Y289N249-H252 HydrophobicContact CB-CB 4.49Å; N249-H252 PolarHBondContact O-N 2.66Å; E250-H252 VanDerWaalsContact C-N 3.29Å; E250-H252 PolarHBondContact O-N 3.09Å; H252-W254 VanDerWaalsContact O-CD1 3.24Å; H252-Y289 HydrophobicContact CB-CD1 3.73Å; H252-Y289 HydrophobicContact CB-CE1 4.42Å; H252-Y289 HydrophobicContact CB-CG 3.92Å; H252-Y289 AromaticContact CD2-CD1 3.44Å; H252-Y289 VanDerWaalsContact CD2-CD1 3.44Å; H252-Y289 WeakPolarHBondContact CD2-CD1 3.12Å; H252-Y289 AromaticContact CD2-CE1 3.28Å; H252-Y289 WeakPolarHBondContact CD2-CE1 3.25Å; H252-Y289 AromaticContact CE1-CE1 3.58Å; H252-Y289 AromaticContact CE1-CZ 3.51Å; H252-Y289 AromaticContact CG-CD1 3.36Å; H252-Y289 AromaticContact CG-CE1 3.57Å; H252-Y289 AromaticContact CG-CG 3.8Å; H252-Y289 AromaticContact ND1-CD1 3.81Å; H252-Y289 AromaticContact ND1-CE1 3.74Å; H252-Y289 AromaticContact ND1-CG 3.99Å; H252-Y289 AromaticContact ND1-CZ 3.83Å; H252-Y289 AromaticContact NE2-CD1 3.93Å; H252-Y289 AromaticContact NE2-CE1 3.28Å; H252-Y289 VanDerWaalsContact NE2-CE1 3.28Å; H252-Y289 WeakPolarHBondContact NE2-CE1 3.31Å; H252-Y289 AromaticContact NE2-CZ 3.63Å
253K94Very high91Very high108 Ų10861.1 Ų61.147%0.4729%0.292SS..  trans-64.8136.8177.5-68.1176.3-177.4-177.80110.8T242 I244 E250T242-K253 HydrophobicContact CG2-CB 3.66Å; T242-K253 HydrophobicContact CG2-CD 3.77Å; T242-K253 HydrophobicContact CG2-CG 4.04Å; I244-K253 HydrophobicContact CD1-CG 4.47Å; I244-K253 HydrophobicContact CG1-CG 3.98Å; E250-K253 WeakPolarHBondContact O-CE 3.49Å
254W95.8Very high90.9Very high1 Ų166.5 Ų66.50%0.00432%0.317CS..EExtended strand (participates in β ladder)trans-99.3149173.5-65.17.5000108.9F218 T242 F243 P245 H252 T287 Y288 L294 F295F218-W254 HydrophobicContact CD1-CH2 4.3Å; F218-W254 AromaticContact CD1-CZ3 3.77Å; F218-W254 HydrophobicContact CD1-CZ3 3.77Å; F218-W254 HydrophobicContact CD2-CE3 4.42Å; F218-W254 AromaticContact CD2-CZ3 3.88Å; F218-W254 HydrophobicContact CD2-CZ3 3.88Å; F218-W254 HydrophobicContact CE1-CE3 4.17Å; F218-W254 AromaticContact CE1-CH2 3.94Å; F218-W254 HydrophobicContact CE1-CH2 3.94Å; F218-W254 AromaticContact CE1-CZ3 3.27Å; F218-W254 HydrophobicContact CE1-CZ3 3.27Å; F218-W254 AromaticContact CE2-CE3 3.65Å; F218-W254 HydrophobicContact CE2-CE3 3.65Å; F218-W254 AromaticContact CE2-CZ3 3.39Å; F218-W254 HydrophobicContact CE2-CZ3 3.39Å; F218-W254 HydrophobicContact CG-CZ3 4.06Å; F218-W254 AromaticContact CZ-CE3 3.51Å; F218-W254 HydrophobicContact CZ-CE3 3.51Å; F218-W254 HydrophobicContact CZ-CH2 4.14Å; F218-W254 AromaticContact CZ-CZ3 3.06Å; F218-W254 HydrophobicContact CZ-CZ3 3.06Å; T242-W254 CarbonylContact C-O 3.5Å; T242-W254 VanDerWaalsContact CA-O 3.31Å; T242-W254 WeakPolarHBondContact CA-O 3.16Å; F243-W254 HydrophobicContact CD1-CB 4.39Å; F243-W254 HydrophobicContact CD2-CB 4.18Å; F243-W254 HydrophobicContact CE1-CB 4.03Å; F243-W254 HydrophobicContact CE2-CB 3.82Å; F243-W254 HydrophobicContact CE2-CD2 4.33Å; F243-W254 AromaticContact CE2-CE3 3.66Å; F243-W254 HydrophobicContact CE2-CE3 3.66Å; F243-W254 HydrophobicContact CE2-CG 4.44Å; F243-W254 HydrophobicContact CG-CB 4.47Å; F243-W254 HydrophobicContact CZ-CB 3.74Å; F243-W254 HydrophobicContact CZ-CE3 4.13Å; F243-W254 PolarHBondContact N-O 2.71Å; F243-W254 PolarHBondContact O-N 3.09Å; P245-W254 HydrophobicContact CB-CD2 4.43Å; P245-W254 HydrophobicContact CB-CE3 4.2Å; P245-W254 HydrophobicContact CB-CH2 3.9Å; P245-W254 HydrophobicContact CB-CZ2 4.18Å; P245-W254 HydrophobicContact CB-CZ3 3.83Å; P245-W254 HydrophobicContact CG-CD2 3.88Å; P245-W254 HydrophobicContact CG-CE3 4.15Å; P245-W254 HydrophobicContact CG-CG 4.5Å; P245-W254 HydrophobicContact CG-CH2 3.89Å; P245-W254 HydrophobicContact CG-CZ2 3.64Å; P245-W254 HydrophobicContact CG-CZ3 4.06Å; H252-W254 VanDerWaalsContact O-CD1 3.24Å; W254-T287 CarbonylContact C-O 3.59Å; W254-T287 VanDerWaalsContact CA-O 3.31Å; W254-T287 WeakPolarHBondContact CA-O 3.34Å; W254-Y288 HydrophobicContact CZ2-CD2 4.47Å; W254-L294 HydrophobicContact CH2-CD1 4.01Å; W254-L294 HydrophobicContact CZ2-CD1 3.86Å; W254-F295 HydrophobicContact CH2-CE2 4.09Å; W254-F295 AromaticContact CH2-CZ 3.88Å; W254-F295 HydrophobicContact CH2-CZ 3.88Å; W254-F295 AromaticContact CZ2-CE2 3.86Å; W254-F295 HydrophobicContact CZ2-CE2 3.86Å; W254-F295 HydrophobicContact CZ2-CZ 4.11Å
255T97.7Very high90.7Very high25 Ų2566.7 Ų66.715%0.15332%0.32CS..EExtended strand (participates in β ladder)trans-127125.1-176.4-52.30000110S240 L241 V257 L286 T287S240-T255 WeakPolarHBondContact OG-CG2 3.37Å; L241-T255 CarbonylContact O-C 3.59Å; L241-T255 VanDerWaalsContact O-CA 3.24Å; L241-T255 WeakPolarHBondContact O-CA 3.35Å; T255-V257 HydrophobicContact CG2-CG2 3.96Å; T255-L286 WeakPolarHBondContact O-CA 3.41Å; T255-T287 PolarHBondContact N-O 3.28Å; T255-T287 PolarHBondContact O-N 3.28Å
256L98.4Very high90.6Very high1 Ų171.8 Ų71.81%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-107.4122.6169.1174.969.2000108.6I200 F202 S240 L241 F243 L258 I284 T285I200-L256 HydrophobicContact CD1-CD2 4.02Å; F202-L256 HydrophobicContact CE1-CD1 4.08Å; F202-L256 HydrophobicContact CZ-CB 4.43Å; F202-L256 HydrophobicContact CZ-CD1 3.95Å; F202-L256 HydrophobicContact CZ-CD2 3.99Å; F202-L256 HydrophobicContact CZ-CG 4.33Å; S240-L256 WeakPolarHBondContact CA-O 3.36Å; L241-L256 HydrophobicContact CB-CB 4.38Å; L241-L256 HydrophobicContact CD1-CD2 4.32Å; L241-L256 PolarHBondContact N-O 3.08Å; L241-L256 PolarHBondContact O-N 2.94Å; F243-L256 HydrophobicContact CE1-CB 4.07Å; L256-L258 HydrophobicContact CD1-CD2 4.19Å; L256-L258 HydrophobicContact CD2-CD2 4.31Å; L256-L258 HydrophobicContact CD2-CG 4.41Å; L256-L258 HydrophobicContact CG-CD2 4.22Å; L256-L258 HydrophobicContact CG-CG 4.37Å; L256-I284 HydrophobicContact CD1-CG2 3.98Å; L256-T285 CarbonylContact C-O 3.46Å; L256-T285 WeakPolarHBondContact CA-O 3.17Å
257V98.6Very high90.6Very high25 Ų2573.9 Ų73.915%0.15236%0.358CS..EExtended strand (participates in β ladder)trans-113.2124175.6-177.80000109.3K238 L239 T255 I284 T285K238-V257 HydrophobicContact CD-CG1 4.15Å; K238-V257 VanDerWaalsContact CE-CG1 3.45Å; K238-V257 HydrophobicContact CG-CG1 3.85Å; L239-V257 CarbonylContact O-C 3.51Å; L239-V257 WeakPolarHBondContact O-CA 3.01Å; T255-V257 HydrophobicContact CG2-CG2 3.96Å; V257-I284 WeakPolarHBondContact O-CA 3.49Å; V257-T285 PolarHBondContact N-O 3.49Å; V257-T285 PolarHBondContact O-N 3.08Å
258L98.6Very high90.8Very high1 Ų176.6 Ų76.61%0.00537%0.365CS..EExtended strand (participates in β ladder)trans-111.3123.4172.1-54.1176.4000108.5F196 K238 L239 L256 F260 L281 I284F196-L258 HydrophobicContact CD2-CD1 4.1Å; F196-L258 HydrophobicContact CE1-CD1 4.18Å; F196-L258 HydrophobicContact CE2-CD1 3.6Å; F196-L258 HydrophobicContact CZ-CD1 3.66Å; K238-L258 WeakPolarHBondContact CA-O 3.1Å; L239-L258 HydrophobicContact CB-CB 4.43Å; L239-L258 HydrophobicContact CD2-CD1 4.19Å; L239-L258 PolarHBondContact N-O 2.93Å; L239-L258 PolarHBondContact O-N 3.08Å; L256-L258 HydrophobicContact CD1-CD2 4.19Å; L256-L258 HydrophobicContact CD2-CD2 4.31Å; L256-L258 HydrophobicContact CD2-CG 4.41Å; L256-L258 HydrophobicContact CG-CD2 4.22Å; L256-L258 HydrophobicContact CG-CG 4.37Å; L258-F260 HydrophobicContact CB-CD2 4.5Å; L258-F260 HydrophobicContact CB-CE2 3.71Å; L258-F260 HydrophobicContact CB-CZ 4.41Å; L258-L281 HydrophobicContact CB-CD1 4.18Å; L258-I284 HydrophobicContact CD2-CB 4.37Å; L258-I284 HydrophobicContact CD2-CD1 4.38Å; L258-I284 HydrophobicContact CD2-CG1 3.92Å; L258-I284 HydrophobicContact CD2-CG2 3.93Å
259L98.6Very high90.8Very high48 Ų4870 Ų7025%0.25135%0.351SS..EExtended strand (participates in β ladder)trans-112.4119.6179.1-177.566000110.5Y236 K238 D282 S283Y236-L259 HydrophobicContact CD2-CD1 4.04Å; K238-L259 HydrophobicContact CB-CD1 4.13Å; L259-D282 PolarHBondContact O-N 2.7Å; L259-S283 PolarHBondContact N-O 3.36Å; L259-S283 PolarHBondContact O-N 3.13Å
260F98.6Very high90.9Very high0 Ų075.1 Ų75.10%038%0.378CS..EExtended strand (participates in β ladder)trans-106.9129.9175.8-60.8-99.6000109.8F194 F196 Y236 T237 L258 Y279 T280 L281 F314 V351 F354F194-F260 HydrophobicContact CE2-CD1 4.36Å; F194-F260 AromaticContact CE2-CD2 3.63Å; F194-F260 HydrophobicContact CE2-CD2 3.63Å; F194-F260 HydrophobicContact CE2-CE1 4.18Å; F194-F260 AromaticContact CE2-CE2 3.45Å; F194-F260 HydrophobicContact CE2-CE2 3.45Å; F194-F260 VanDerWaalsContact CE2-CE2 3.45Å; F194-F260 HydrophobicContact CE2-CG 4.1Å; F194-F260 AromaticContact CE2-CZ 3.75Å; F194-F260 HydrophobicContact CE2-CZ 3.75Å; F194-F260 AromaticContact CZ-CD2 3.93Å; F194-F260 HydrophobicContact CZ-CD2 3.93Å; F194-F260 AromaticContact CZ-CE2 3.34Å; F194-F260 HydrophobicContact CZ-CE2 3.34Å; F194-F260 AromaticContact CZ-CZ 3.71Å; F194-F260 HydrophobicContact CZ-CZ 3.71Å; F196-F260 HydrophobicContact CD2-CZ 4.41Å; Y236-F260 CarbonylContact C-O 3.54Å; Y236-F260 WeakPolarHBondContact CA-O 3.34Å; Y236-F260 WeakPolarHBondContact CB-O 3.3Å; T237-F260 PolarHBondContact N-O 2.81Å; T237-F260 PolarHBondContact O-N 3.47Å; L258-F260 HydrophobicContact CB-CD2 4.5Å; L258-F260 HydrophobicContact CB-CE2 3.71Å; L258-F260 HydrophobicContact CB-CZ 4.41Å; F260-Y279 HydrophobicContact CD1-CD2 4.36Å; F260-T280 CarbonylContact C-O 3.52Å; F260-T280 WeakPolarHBondContact CA-O 3.13Å; F260-L281 HydrophobicContact CD1-CB 4.09Å; F260-L281 HydrophobicContact CD1-CD1 4.32Å; F260-L281 HydrophobicContact CD2-CD1 4.38Å; F260-L281 HydrophobicContact CE1-CB 3.88Å; F260-L281 HydrophobicContact CE1-CD1 4Å; F260-L281 HydrophobicContact CE1-CG 4.35Å; F260-L281 HydrophobicContact CE2-CD1 4.03Å; F260-L281 HydrophobicContact CZ-CD1 3.83Å; F260-L281 HydrophobicContact CZ-CD2 4.49Å; F260-F314 HydrophobicContact CE1-CE2 4.23Å; F260-F314 AromaticContact CE1-CZ 3.88Å; F260-F314 HydrophobicContact CE1-CZ 3.88Å; F260-V351 HydrophobicContact CE1-CG2 3.67Å; F260-V351 HydrophobicContact CZ-CG2 3.78Å; F260-F354 HydrophobicContact CB-CE2 4.31Å
261N98.2Very high90.7Very high47 Ų4772.3 Ų72.325%0.25137%0.369SS..EExtended strand (participates in β ladder)trans-111.7143175.3-70.7-34.6000110.2Y236 Y279 T280 D282Y236-N261 WeakPolarHBondContact CB-OD1 2.98Å; N261-Y279 CarbonylContact O-C 3.6Å; N261-Y279 WeakPolarHBondContact O-CA 3.33Å; N261-T280 PolarHBondContact N-O 3.42Å; N261-T280 PolarHBondContact O-N 3.4Å; N261-D282 WeakPolarHBondContact CB-OD2 3.38Å; N261-D282 PolarHBondContact ND2-OD2 3.4Å
262R97.8Very high89.9Confident85 Ų8569.1 Ų69.132%0.32137%0.37SS..EExtended strand (participates in β ladder)trans-99.4119.5172.3-175.6-176178.5175.9-0.5108.7E234 H235 S277 I278 V318 F354E234-R262 WeakPolarHBondContact O-CD 3.44Å; H235-R262 WeakPolarHBondContact O-CB 3Å; H235-R262 PolarHBondContact O-N 3.26Å; R262-S277 PolarHBondContact NE-OG 2.8Å; R262-S277 PolarHBondContact NH2-OG 2.94Å; R262-I278 CarbonylContact C-O 3.57Å; R262-I278 WeakPolarHBondContact CA-O 3.13Å; R262-V318 HydrophobicContact CG-CG2 4.2Å; R262-F354 HydrophobicContact CB-CD1 4.11Å; R262-F354 HydrophobicContact CB-CD2 4.19Å; R262-F354 HydrophobicContact CB-CE1 3.75Å; R262-F354 HydrophobicContact CB-CE2 3.87Å; R262-F354 HydrophobicContact CB-CG 4.31Å; R262-F354 HydrophobicContact CB-CZ 3.62Å
263M95.7Very high89.3Confident63 Ų6371.1 Ų71.131%0.3139%0.385SS..EExtended strand (participates in β ladder)trans-93.1124.9169.8-67176.1-67.500109.4S277 I278 T280 R315M263-S277 WeakPolarHBondContact O-CA 3.39Å; M263-S277 WeakPolarHBondContact O-CB 3.41Å; M263-I278 HydrophobicContact CE-CB 4.25Å; M263-I278 HydrophobicContact CE-CG2 3.89Å; M263-I278 PolarHBondContact N-O 3.08Å; M263-I278 PolarHBondContact O-N 3.32Å; M263-T280 HydrophobicContact CE-CG2 3.32Å; M263-R315 VanDerWaalsContact CE-NH2 3.32Å; M263-R315 PolarHBondContact SD-NH2 3.04Å
264E93.1Very high88.4Confident119 Ų11973.9 Ų73.956%0.55641%0.405SS*.PPolyproline II helixtrans-69.4145.9169.2-71.8-174.2-166.900110.5H235 N266H235-E264 IonicContact CE1-OE1 2.71Å; E264-N266 PolarHBondContact O-N 3.34Å
265P88.5Confident87.6Confident38 Ų3877.9 Ų77.925%0.24743%0.429CS..PPolyproline II helixtrans-59.9133.5174.128.5-35.6000109.2K267 V275P265-K267 PolarHBondContact O-N 2.99Å; P265-V275 HydrophobicContact CB-CB 3.73Å; P265-V275 HydrophobicContact CB-CG1 3.63Å; P265-V275 WeakPolarHBondContact CB-O 3.44Å; P265-V275 WeakPolarHBondContact CG-O 3.37Å
266N84.2Confident87.3Confident121 Ų12179.5 Ų79.565%0.64744%0.442SS*.  trans-67.4103.3176.1-173.2-2.7000108.9E264 T268E264-N266 PolarHBondContact O-N 3.34Å; N266-T268 PolarHBondContact ND2-OG1 3.24Å; N266-T268 VanDerWaalsContact ND2-OG1 3.11Å; N266-T268 PolarHBondContact O-N 2.92Å; N266-T268 WeakPolarHBondContact OD1-CB 3.4Å; N266-T268 VanDerWaalsContact OD1-CG2 3.3Å; N266-T268 WeakPolarHBondContact OD1-CG2 3.35Å; N266-T268 PolarHBondContact OD1-N 2.86Å; N266-T268 PolarHBondContact OD1-OG1 2.7Å
267K80.9Confident87.1Confident178 Ų17880.2 Ų80.277%0.77445%0.447SS*.THydrogen-bonded Turntrans-64.32.2-177-64.3-178.3-177.7171.70114.5P265 S269P265-K267 PolarHBondContact O-N 2.99Å; K267-S269 VanDerWaalsContact C-N 3.32Å
268T78.9Confident87Confident110 Ų11081.7 Ų81.768%0.67545%0.453SS*.THydrogen-bonded Turntrans-79.1-11.7-17753.50000114.1N266N266-T268 PolarHBondContact ND2-OG1 3.24Å; N266-T268 VanDerWaalsContact ND2-OG1 3.11Å; N266-T268 PolarHBondContact O-N 2.92Å; N266-T268 WeakPolarHBondContact OD1-CB 3.4Å; N266-T268 VanDerWaalsContact OD1-CG2 3.3Å; N266-T268 WeakPolarHBondContact OD1-CG2 3.35Å; N266-T268 PolarHBondContact OD1-N 2.86Å; N266-T268 PolarHBondContact OD1-OG1 2.7Å
269S72.4Confident87Confident74 Ų7481.6 Ų81.652%0.51745%0.453SS..  trans-83.4117.2170.4-172.30000109.6K267 D271K267-S269 VanDerWaalsContact C-N 3.32Å; S269-D271 PolarHBondContact O-N 2.56Å; S269-D271 VanDerWaalsContact OG-CB 3.27Å; S269-D271 WeakPolarHBondContact OG-CB 3.47Å; S269-D271 PolarHBondContact OG-N 2.97Å
270N77.9Confident86.9Confident169 Ų16979.4 Ų79.490%0.90444%0.441SS*.  trans-65.15.7169.7-71.6-38.8000113.1A272N270-A272 PolarHBondContact O-N 2.97Å
271D78.7Confident86.9Confident101 Ų10179.4 Ų79.454%0.5444%0.442SS..  trans-75.3107.3176.9-156.9-3.8000109.3S269 T273S269-D271 PolarHBondContact O-N 2.56Å; S269-D271 VanDerWaalsContact OG-CB 3.27Å; S269-D271 WeakPolarHBondContact OG-CB 3.47Å; S269-D271 PolarHBondContact OG-N 2.97Å; D271-T273 PolarHBondContact O-N 2.93Å
272A70.9Confident86.8Confident97 Ų9779.2 Ų79.280%0.80244%0.44SS*.  trans-67.212-177.400000113.8N270 N274N270-A272 PolarHBondContact O-N 2.97Å; A272-N274 PolarHBondContact O-N 2.78Å
273T78.6Confident86.8Confident83 Ų8376.1 Ų76.151%0.50943%0.432SS..SBendtrans-65124.5168.254.90000109.1D271 V275D271-T273 PolarHBondContact O-N 2.93Å; T273-V275 VanDerWaalsContact C-N 3.26Å; T273-V275 WeakPolarHBondContact O-CG2 3.19Å; T273-V275 PolarHBondContact O-N 2.79Å
274N74.4Confident86.9Confident166 Ų16673.2 Ų73.289%0.88842%0.417SS*.  trans-59.484.4176.6-69.6-44.7000110.8A272 S276A272-N274 PolarHBondContact O-N 2.78Å; N274-S276 PolarHBondContact O-N 3.27Å; N274-S276 VanDerWaalsContact O-N 3.12Å
275V79.1Confident87.1Confident84 Ų8469.4 Ų69.451%0.50940%0.402SS..  trans-72.8107.3175.7-170.90000107.2P265 T273P265-V275 HydrophobicContact CB-CB 3.73Å; P265-V275 HydrophobicContact CB-CG1 3.63Å; P265-V275 WeakPolarHBondContact CB-O 3.44Å; P265-V275 WeakPolarHBondContact CG-O 3.37Å; T273-V275 VanDerWaalsContact C-N 3.26Å; T273-V275 WeakPolarHBondContact O-CG2 3.19Å; T273-V275 PolarHBondContact O-N 2.79Å
276S90.2Very high87.6Confident60 Ų6067.6 Ų67.642%0.4239%0.391SS..  trans-65.8148.1172.445.30000110.1N274N274-S276 PolarHBondContact O-N 3.27Å; N274-S276 VanDerWaalsContact O-N 3.12Å
277S94.8Very high88.2Confident16 Ų1663.3 Ų63.311%0.11237%0.369CS..  trans-55150.4168-52.90000109.8R262 M263 V318R262-S277 PolarHBondContact NE-OG 2.8Å; R262-S277 PolarHBondContact NH2-OG 2.94Å; M263-S277 WeakPolarHBondContact O-CA 3.39Å; M263-S277 WeakPolarHBondContact O-CB 3.41Å; S277-V318 WeakPolarHBondContact O-CB 3.3Å; S277-V318 WeakPolarHBondContact O-CG2 3.14Å; S277-V318 PolarHBondContact O-N 2.74Å
278I96.7Very high88.9Confident55 Ų5554.9 Ų54.928%0.28233%0.332SS..EExtended strand (participates in β ladder)trans-113.5143177.5-64.6171.8000107.6R262 M263 T280 R315 I316R262-I278 CarbonylContact C-O 3.57Å; R262-I278 WeakPolarHBondContact CA-O 3.13Å; M263-I278 HydrophobicContact CE-CB 4.25Å; M263-I278 HydrophobicContact CE-CG2 3.89Å; M263-I278 PolarHBondContact N-O 3.08Å; M263-I278 PolarHBondContact O-N 3.32Å; I278-T280 HydrophobicContact CG2-CG2 4.43Å; I278-R315 HydrophobicContact CG2-CB 3.87Å; I278-I316 CarbonylContact C-O 3.5Å; I278-I316 WeakPolarHBondContact CA-O 2.87Å; I278-I316 WeakPolarHBondContact CG2-O 3.26Å
279Y98Very high89.7Confident0 Ų051.4 Ų51.40%031%0.307CS..EExtended strand (participates in β ladder)trans-113.7152.6166.168.8-88.7000112.3F260 N261 F314 R315 I316 V318 S320 V351 A353 F354F260-Y279 HydrophobicContact CD1-CD2 4.36Å; N261-Y279 CarbonylContact O-C 3.6Å; N261-Y279 WeakPolarHBondContact O-CA 3.33Å; Y279-F314 HydrophobicContact CE2-CE2 4.34Å; Y279-R315 WeakPolarHBondContact O-CA 3.07Å; Y279-I316 HydrophobicContact CD1-CB 4.24Å; Y279-I316 VanDerWaalsContact CD1-O 3.26Å; Y279-I316 WeakPolarHBondContact CD1-O 3.35Å; Y279-I316 HydrophobicContact CD2-CB 4.46Å; Y279-I316 HydrophobicContact CE1-CB 3.7Å; Y279-I316 HydrophobicContact CE1-CG2 3.68Å; Y279-I316 HydrophobicContact CE2-CB 3.95Å; Y279-I316 HydrophobicContact CE2-CG1 4.27Å; Y279-I316 HydrophobicContact CE2-CG2 4.47Å; Y279-I316 PolarHBondContact N-O 2.9Å; Y279-I316 PolarHBondContact O-N 2.9Å; Y279-I316 WeakPolarHBondContact OH-CG2 3.45Å; Y279-V318 HydrophobicContact CD1-CG2 3.99Å; Y279-S320 WeakPolarHBondContact CE1-O 3.06Å; Y279-S320 PolarHBondContact OH-O 2.96Å; Y279-V351 PolarHBondContact OH-O 2.91Å; Y279-A353 HydrophobicContact CD2-CB 3.86Å; Y279-A353 HydrophobicContact CE2-CB 4Å; Y279-A353 HydrophobicContact CG-CB 4.19Å; Y279-F354 VanDerWaalsContact CB-CE2 3.46Å; Y279-F354 HydrophobicContact CD1-CD2 4.4Å; Y279-F354 HydrophobicContact CG-CD2 4.05Å; Y279-F354 HydrophobicContact CG-CE2 4.21Å
280T97.7Very high90.7Very high1 Ų148 Ų481%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-136.3148.1-176.649.20000110.8F260 N261 M263 I278 D282 M312 F314 R315F260-T280 CarbonylContact C-O 3.52Å; F260-T280 WeakPolarHBondContact CA-O 3.13Å; N261-T280 PolarHBondContact N-O 3.42Å; N261-T280 PolarHBondContact O-N 3.4Å; M263-T280 HydrophobicContact CE-CG2 3.32Å; I278-T280 HydrophobicContact CG2-CG2 4.43Å; T280-D282 WeakPolarHBondContact CB-OD1 3.01Å; T280-D282 VanDerWaalsContact OG1-CG 3.31Å; T280-D282 PolarHBondContact OG1-OD1 3.45Å; T280-M312 HydrophobicContact CG2-CG 4.06Å; T280-M312 HydrophobicContact CG2-SD 3.72Å; T280-F314 WeakPolarHBondContact CA-O 3.5Å; T280-F314 WeakPolarHBondContact CG2-O 3.5Å; T280-R315 HydrophobicContact CG2-CB 3.88Å; T280-R315 HydrophobicContact CG2-CG 3.73Å
281L98Very high91.4Very high1 Ų140.7 Ų40.71%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-88.4103.3165.417557.1000108L258 F260 I284 M312 V313 F314L258-L281 HydrophobicContact CB-CD1 4.18Å; F260-L281 HydrophobicContact CD1-CB 4.09Å; F260-L281 HydrophobicContact CD1-CD1 4.32Å; F260-L281 HydrophobicContact CD2-CD1 4.38Å; F260-L281 HydrophobicContact CE1-CB 3.88Å; F260-L281 HydrophobicContact CE1-CD1 4Å; F260-L281 HydrophobicContact CE1-CG 4.35Å; F260-L281 HydrophobicContact CE2-CD1 4.03Å; F260-L281 HydrophobicContact CZ-CD1 3.83Å; F260-L281 HydrophobicContact CZ-CD2 4.49Å; L281-I284 HydrophobicContact CD1-CG1 4.16Å; L281-I284 HydrophobicContact CD2-CD1 3.97Å; L281-I284 HydrophobicContact CD2-CG1 4.3Å; L281-I284 HydrophobicContact CG-CD1 4.38Å; L281-I284 HydrophobicContact CG-CG1 4.27Å; L281-M312 WeakPolarHBondContact O-CA 3.44Å; L281-V313 HydrophobicContact CB-CB 4.24Å; L281-V313 HydrophobicContact CB-CG2 4.38Å; L281-V313 HydrophobicContact CD2-CB 4.13Å; L281-V313 HydrophobicContact CD2-CG2 3.91Å; L281-V313 HydrophobicContact CG-CB 4.29Å; L281-V313 HydrophobicContact CG-CG2 3.95Å; L281-V313 PolarHBondContact O-N 2.67Å; L281-F314 HydrophobicContact CB-CD1 4.47Å; L281-F314 HydrophobicContact CB-CE1 3.86Å; L281-F314 HydrophobicContact CB-CE2 3.97Å; L281-F314 HydrophobicContact CB-CZ 3.57Å; L281-F314 HydrophobicContact CD2-CE1 3.73Å; L281-F314 HydrophobicContact CD2-CZ 3.98Å; L281-F314 HydrophobicContact CG-CE1 4.47Å; L281-F314 HydrophobicContact CG-CZ 4.43Å
282D96.5Very high92.1Very high42 Ų4242.9 Ų42.923%0.22525%0.249CC..EExtended strand (participates in β ladder)trans-99-36-168-79.14.8000113.2L259 N261 T280 N310L259-D282 PolarHBondContact O-N 2.7Å; N261-D282 WeakPolarHBondContact CB-OD2 3.38Å; N261-D282 PolarHBondContact ND2-OD2 3.4Å; T280-D282 WeakPolarHBondContact CB-OD1 3.01Å; T280-D282 VanDerWaalsContact OG1-CG 3.31Å; T280-D282 PolarHBondContact OG1-OD1 3.45Å; D282-N310 CarbonylContact O-C 3.57Å; D282-N310 VanDerWaalsContact O-CA 3.26Å; D282-N310 WeakPolarHBondContact O-CA 3.46Å
283S97.5Very high93.2Very high20 Ų2044.8 Ų44.814%0.1425%0.246CC..EExtended strand (participates in β ladder)trans-136.7135.9-178.4-168.60000112.1L259 S309 N310L259-S283 PolarHBondContact N-O 3.36Å; L259-S283 PolarHBondContact O-N 3.13Å; S283-S309 WeakPolarHBondContact CA-O 3.29Å; S283-N310 PolarHBondContact OG-OD1 2.85Å
284I98.3Very high93.8Very high2 Ų242.1 Ų42.11%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-125.3123.1173-57.8179.5000106.7L256 V257 L258 L281 S308 S309 V313 I330 L332 L344L256-I284 HydrophobicContact CD1-CG2 3.98Å; V257-I284 WeakPolarHBondContact O-CA 3.49Å; L258-I284 HydrophobicContact CD2-CB 4.37Å; L258-I284 HydrophobicContact CD2-CD1 4.38Å; L258-I284 HydrophobicContact CD2-CG1 3.92Å; L258-I284 HydrophobicContact CD2-CG2 3.93Å; L281-I284 HydrophobicContact CD1-CG1 4.16Å; L281-I284 HydrophobicContact CD2-CD1 3.97Å; L281-I284 HydrophobicContact CD2-CG1 4.3Å; L281-I284 HydrophobicContact CG-CD1 4.38Å; L281-I284 HydrophobicContact CG-CG1 4.27Å; I284-S308 CarbonylContact O-C 3.55Å; I284-S308 WeakPolarHBondContact O-CA 3.29Å; I284-S308 WeakPolarHBondContact O-CB 3.33Å; I284-S309 PolarHBondContact N-O 2.78Å; I284-S309 PolarHBondContact O-N 3.34Å; I284-V313 HydrophobicContact CD1-CG2 4.1Å; I284-I330 HydrophobicContact CD1-CD1 3.57Å; I284-I330 HydrophobicContact CD1-CG2 4.33Å; I284-L332 HydrophobicContact CB-CD2 3.96Å; I284-L332 HydrophobicContact CG2-CD1 4.2Å; I284-L332 HydrophobicContact CG2-CD2 3.77Å; I284-L344 HydrophobicContact CD1-CD2 3.83Å; I284-L344 HydrophobicContact CG2-CD2 3.8Å
285T98Very high94.7Very high39 Ų3934.2 Ų34.224%0.23919%0.186CC..EExtended strand (participates in β ladder)trans-126.7129177.2-59.90000109.8L256 V257 V307L256-T285 CarbonylContact C-O 3.46Å; L256-T285 WeakPolarHBondContact CA-O 3.17Å; V257-T285 PolarHBondContact N-O 3.49Å; V257-T285 PolarHBondContact O-N 3.08Å; T285-V307 WeakPolarHBondContact CA-O 3.3Å
286L97.9Very high95.5Very high0 Ų033 Ų330%018%0.18CC..EExtended strand (participates in β ladder)trans-115.2123171.6175.673.3000108.9F202 F243 T255 Y288 N306 V307 L332 C342F202-L286 HydrophobicContact CD1-CD1 4.47Å; F202-L286 HydrophobicContact CD1-CD2 3.68Å; F202-L286 HydrophobicContact CE1-CB 4.47Å; F202-L286 HydrophobicContact CE1-CD1 3.89Å; F202-L286 HydrophobicContact CE1-CD2 3.82Å; F202-L286 HydrophobicContact CE1-CG 4.27Å; F202-L286 HydrophobicContact CG-CD2 4.38Å; F202-L286 HydrophobicContact CZ-CD1 3.98Å; F243-L286 HydrophobicContact CE1-CD1 4.32Å; F243-L286 HydrophobicContact CZ-CD1 3.95Å; T255-L286 WeakPolarHBondContact O-CA 3.41Å; L286-Y288 HydrophobicContact CD2-CD1 3.92Å; L286-Y288 HydrophobicContact CG-CD1 4.05Å; L286-N306 WeakPolarHBondContact O-CA 3.34Å; L286-V307 HydrophobicContact CB-CG2 3.78Å; L286-V307 HydrophobicContact CD2-CG2 4.18Å; L286-V307 HydrophobicContact CG-CG2 4.35Å; L286-V307 PolarHBondContact N-O 2.98Å; L286-V307 PolarHBondContact O-N 3.22Å; L286-L332 HydrophobicContact CB-CD1 3.92Å; L286-C342 HydrophobicContact CD2-CB 4.45Å
287T97.2Very high95.7Very high32 Ų3234.6 Ų34.620%0.19618%0.183CC..EExtended strand (participates in β ladder)trans-107.3119.6170.2-60.20000108.3W254 T255 Y304 V305 N306W254-T287 CarbonylContact C-O 3.59Å; W254-T287 VanDerWaalsContact CA-O 3.31Å; W254-T287 WeakPolarHBondContact CA-O 3.34Å; T255-T287 PolarHBondContact N-O 3.28Å; T255-T287 PolarHBondContact O-N 3.28Å; T287-Y304 HydrophobicContact CG2-CD1 3.95Å; T287-V305 WeakPolarHBondContact CA-O 3.37Å; T287-N306 WeakPolarHBondContact CG2-OD1 3.27Å; T287-N306 PolarHBondContact OG1-OD1 2.02Å; T287-N306 VanDerWaalsContact OG1-OD1 3.06Å
288Y95.7Very high95.7Very high0 Ų034 Ų340%018%0.179CC..EExtended strand (participates in β ladder)trans-136.2153.4-177.967.7-86000111.8V204 W254 L286 M290 F295 Y304 V305 V307 N340V204-Y288 HydrophobicContact CG1-CD2 4.48Å; V204-Y288 HydrophobicContact CG1-CE1 4.44Å; V204-Y288 HydrophobicContact CG1-CE2 3.59Å; V204-Y288 WeakPolarHBondContact CG1-OH 3.35Å; V204-Y288 HydrophobicContact CG2-CE1 4.41Å; V204-Y288 HydrophobicContact CG2-CE2 4.35Å; W254-Y288 HydrophobicContact CZ2-CD2 4.47Å; L286-Y288 HydrophobicContact CD2-CD1 3.92Å; L286-Y288 HydrophobicContact CG-CD1 4.05Å; Y288-M290 HydrophobicContact CD2-SD 4.4Å; Y288-M290 HydrophobicContact CE2-CE 4.48Å; Y288-M290 HydrophobicContact CE2-CG 4.32Å; Y288-M290 HydrophobicContact CE2-SD 3.62Å; Y288-F295 HydrophobicContact CD2-CE2 4.34Å; Y288-F295 HydrophobicContact CD2-CZ 4.2Å; Y288-F295 HydrophobicContact CE2-CZ 4.23Å; Y288-Y304 CarbonylContact O-C 3.58Å; Y288-Y304 WeakPolarHBondContact O-CA 3.21Å; Y288-V305 HydrophobicContact CD1-CB 4.4Å; Y288-V305 HydrophobicContact CE1-CB 3.88Å; Y288-V305 HydrophobicContact CE1-CG1 3.88Å; Y288-V305 HydrophobicContact CE2-CB 4.1Å; Y288-V305 HydrophobicContact CE2-CG2 4.45Å; Y288-V305 PolarHBondContact N-O 2.91Å; Y288-V305 PolarHBondContact O-N 2.8Å; Y288-V307 HydrophobicContact CD1-CG2 4.48Å; Y288-V307 HydrophobicContact CE1-CG1 3.99Å; Y288-V307 HydrophobicContact CE1-CG2 4.06Å; Y288-N340 WeakPolarHBondContact OH-CB 3.33Å; Y288-N340 PolarHBondContact OH-ND2 2.88Å
289Y94.9Very high95.5Very high38 Ų3835.5 Ų35.515%0.14919%0.187CC..EExtended strand (participates in β ladder)trans-96.5130.1179.7-172.4-103.7000111.3H252 D291 G302 Y304H252-Y289 HydrophobicContact CB-CD1 3.73Å; H252-Y289 HydrophobicContact CB-CE1 4.42Å; H252-Y289 HydrophobicContact CB-CG 3.92Å; H252-Y289 AromaticContact CD2-CD1 3.44Å; H252-Y289 VanDerWaalsContact CD2-CD1 3.44Å; H252-Y289 WeakPolarHBondContact CD2-CD1 3.12Å; H252-Y289 AromaticContact CD2-CE1 3.28Å; H252-Y289 WeakPolarHBondContact CD2-CE1 3.25Å; H252-Y289 AromaticContact CE1-CE1 3.58Å; H252-Y289 AromaticContact CE1-CZ 3.51Å; H252-Y289 AromaticContact CG-CD1 3.36Å; H252-Y289 AromaticContact CG-CE1 3.57Å; H252-Y289 AromaticContact CG-CG 3.8Å; H252-Y289 AromaticContact ND1-CD1 3.81Å; H252-Y289 AromaticContact ND1-CE1 3.74Å; H252-Y289 AromaticContact ND1-CG 3.99Å; H252-Y289 AromaticContact ND1-CZ 3.83Å; H252-Y289 AromaticContact NE2-CD1 3.93Å; H252-Y289 AromaticContact NE2-CE1 3.28Å; H252-Y289 VanDerWaalsContact NE2-CE1 3.28Å; H252-Y289 WeakPolarHBondContact NE2-CE1 3.31Å; H252-Y289 AromaticContact NE2-CZ 3.63Å; Y289-D291 HydrophobicContact CD1-CB 4.09Å; Y289-D291 HydrophobicContact CE1-CB 4.49Å; Y289-D291 PolarHBondContact O-N 3.16Å; Y289-G302 VanDerWaalsContact CE2-C 3.43Å; Y289-G302 VanDerWaalsContact CE2-O 3.28Å; Y289-G302 WeakPolarHBondContact CE2-O 3.34Å; Y289-G302 VanDerWaalsContact CZ-CA 3.47Å; Y289-G302 WeakPolarHBondContact OH-CA 3.44Å; Y289-G302 PolarHBondContact OH-O 3.2Å; Y289-Y304 HydrophobicContact CD2-CD1 4.21Å; Y289-Y304 AromaticContact CD2-CD2 3.81Å; Y289-Y304 HydrophobicContact CD2-CD2 3.81Å; Y289-Y304 HydrophobicContact CD2-CE1 4.08Å; Y289-Y304 AromaticContact CD2-CE2 3.66Å; Y289-Y304 HydrophobicContact CD2-CE2 3.66Å; Y289-Y304 HydrophobicContact CD2-CG 4.08Å; Y289-Y304 AromaticContact CD2-CZ 3.8Å; Y289-Y304 HydrophobicContact CE2-CD2 4.36Å; Y289-Y304 HydrophobicContact CE2-CE2 4.18Å; Y289-Y304 HydrophobicContact CG-CE1 4.39Å
290M93.5Very high95.3Very high1 Ų137.1 Ų37.11%0.00520%0.197CC..  trans-76.668176.9-70.3-69.6-126.500111.9Y288 K292 F295 T300 G302 Q303 V305 N340Y288-M290 HydrophobicContact CD2-SD 4.4Å; Y288-M290 HydrophobicContact CE2-CE 4.48Å; Y288-M290 HydrophobicContact CE2-CG 4.32Å; Y288-M290 HydrophobicContact CE2-SD 3.62Å; M290-K292 PolarHBondContact O-N 2.67Å; M290-F295 HydrophobicContact SD-CB 4.4Å; M290-F295 HydrophobicContact SD-CD1 4.34Å; M290-F295 HydrophobicContact SD-CD2 3.84Å; M290-F295 HydrophobicContact SD-CE2 4.12Å; M290-F295 HydrophobicContact SD-CG 3.94Å; M290-F295 HydrophobicContact SD-CZ 4.49Å; M290-T300 VanDerWaalsContact CB-O 3.28Å; M290-T300 WeakPolarHBondContact CB-O 3.34Å; M290-G302 PolarHBondContact O-N 3.46Å; M290-Q303 WeakPolarHBondContact CB-O 3.32Å; M290-Q303 PolarHBondContact N-O 3.27Å; M290-V305 HydrophobicContact CE-CG2 4.3Å; M290-V305 HydrophobicContact CG-CG2 3.64Å; M290-V305 HydrophobicContact SD-CG2 4.45Å; M290-N340 WeakPolarHBondContact CE-ND2 3.49Å
291D92.9Very high95.1Very high16 Ų1639.3 Ų39.39%0.08621%0.212CC..  trans-62129.8176.6-167.7-49.6000110.9N249 Y289 N293 L294 F295N249-D291 PolarHBondContact ND2-OD2 2.82Å; Y289-D291 HydrophobicContact CD1-CB 4.09Å; Y289-D291 HydrophobicContact CE1-CB 4.49Å; Y289-D291 PolarHBondContact O-N 3.16Å; D291-N293 PolarHBondContact O-N 2.68Å; D291-N293 VanDerWaalsContact O-N 3.16Å; D291-N293 VanDerWaalsContact OD1-CB 3.26Å; D291-N293 WeakPolarHBondContact OD1-CB 3.02Å; D291-N293 PolarHBondContact OD1-N 3.48Å; D291-N293 PolarHBondContact OD1-ND2 2.04Å; D291-L294 HydrophobicContact CB-CB 4.32Å; D291-L294 HydrophobicContact CB-CD1 4.2Å; D291-L294 HydrophobicContact CB-CG 4.22Å; D291-L294 PolarHBondContact O-N 2.94Å; D291-L294 VanDerWaalsContact O-N 3.1Å; D291-F295 PolarHBondContact O-N 2.88Å
292K93.6Very high94.8Very high148 Ų14840.8 Ų40.864%0.64323%0.227SC*.THydrogen-bonded Turntrans-58.7-27.9179.7-71179.6-179.5178.30113.1M290 P301M290-K292 PolarHBondContact O-N 2.67Å; K292-P301 HydrophobicContact CD-CB 4.44Å; K292-P301 HydrophobicContact CG-CB 3.7Å
293N92.9Very high94.7Very high137 Ų13743.6 Ų43.673%0.73324%0.239SC*.THydrogen-bonded Turntrans-76.5-34.4178.9-57.4-58.9000112.2D291D291-N293 PolarHBondContact O-N 2.68Å; D291-N293 VanDerWaalsContact O-N 3.16Å; D291-N293 VanDerWaalsContact OD1-CB 3.26Å; D291-N293 WeakPolarHBondContact OD1-CB 3.02Å; D291-N293 PolarHBondContact OD1-N 3.48Å; D291-N293 PolarHBondContact OD1-ND2 2.04Å
294L92.5Very high94.5Very high26 Ų2648 Ų4814%0.13625%0.253CS..THydrogen-bonded Turntrans-86.5-34179.8-63.3176.9000111.9Y216 P245 Y246 W254 D291 P296Y216-L294 HydrophobicContact CE1-CD2 3.98Å; Y216-L294 WeakPolarHBondContact OH-CD2 3.38Å; P245-L294 HydrophobicContact CB-CD1 3.89Å; P245-L294 HydrophobicContact CG-CD1 3.68Å; Y246-L294 HydrophobicContact CD2-CD2 4.05Å; Y246-L294 HydrophobicContact CE2-CD2 4.46Å; W254-L294 HydrophobicContact CH2-CD1 4.01Å; W254-L294 HydrophobicContact CZ2-CD1 3.86Å; D291-L294 HydrophobicContact CB-CB 4.32Å; D291-L294 HydrophobicContact CB-CD1 4.2Å; D291-L294 HydrophobicContact CB-CG 4.22Å; D291-L294 PolarHBondContact O-N 2.94Å; D291-L294 VanDerWaalsContact O-N 3.1Å; L294-P296 VanDerWaalsContact O-CD 3.28Å; L294-P296 WeakPolarHBondContact O-CD 3.44Å
295F93.9Very high94.4Very high1 Ų148 Ų480%0.00425%0.253CS..SBendtrans-121.866.7-176.4-51.7-76.4000111V204 Y206 Y216 W254 Y288 M290 D291 D297 S298V204-F295 HydrophobicContact CB-CE1 4Å; V204-F295 HydrophobicContact CB-CZ 4.35Å; V204-F295 HydrophobicContact CG1-CE1 3.65Å; V204-F295 HydrophobicContact CG1-CZ 4.04Å; Y206-F295 AromaticContact CD1-CD1 3.54Å; Y206-F295 HydrophobicContact CD1-CD1 3.54Å; Y206-F295 HydrophobicContact CD1-CE1 4.23Å; Y206-F295 HydrophobicContact CD1-CG 4.48Å; Y206-F295 HydrophobicContact CD2-CB 4.3Å; Y206-F295 HydrophobicContact CE1-CB 4.38Å; Y206-F295 AromaticContact CE1-CD1 3.61Å; Y206-F295 HydrophobicContact CE1-CD1 3.61Å; Y206-F295 HydrophobicContact CE1-CE1 4.47Å; Y206-F295 HydrophobicContact CE1-CG 4.48Å; Y206-F295 HydrophobicContact CE2-CB 4.1Å; Y206-F295 HydrophobicContact CG-CD1 4.1Å; Y216-F295 HydrophobicContact CD1-CE1 4.42Å; Y216-F295 HydrophobicContact CG-CE1 4.4Å; W254-F295 HydrophobicContact CH2-CE2 4.09Å; W254-F295 AromaticContact CH2-CZ 3.88Å; W254-F295 HydrophobicContact CH2-CZ 3.88Å; W254-F295 AromaticContact CZ2-CE2 3.86Å; W254-F295 HydrophobicContact CZ2-CE2 3.86Å; W254-F295 HydrophobicContact CZ2-CZ 4.11Å; Y288-F295 HydrophobicContact CD2-CE2 4.34Å; Y288-F295 HydrophobicContact CD2-CZ 4.2Å; Y288-F295 HydrophobicContact CE2-CZ 4.23Å; M290-F295 HydrophobicContact SD-CB 4.4Å; M290-F295 HydrophobicContact SD-CD1 4.34Å; M290-F295 HydrophobicContact SD-CD2 3.84Å; M290-F295 HydrophobicContact SD-CE2 4.12Å; M290-F295 HydrophobicContact SD-CG 3.94Å; M290-F295 HydrophobicContact SD-CZ 4.49Å; D291-F295 PolarHBondContact O-N 2.88Å; F295-D297 PolarHBondContact O-N 3.17Å; F295-S298 VanDerWaalsContact O-CB 3.28Å; F295-S298 WeakPolarHBondContact O-CB 3.31Å; F295-S298 PolarHBondContact O-N 2.86Å
296P94.3Very high94.3Very high59 Ų5950.5 Ų50.538%0.38327%0.265SS..THydrogen-bonded Turntrans-62.3137.318027.3-35.3000110.7Y206 K214 L294 S298Y206-P296 PolarHBondContact OH-O 2.96Å; K214-P296 PolarHBondContact NZ-O 3.49Å; L294-P296 VanDerWaalsContact O-CD 3.28Å; L294-P296 WeakPolarHBondContact O-CD 3.44Å; P296-S298 PolarHBondContact O-N 3.01Å
297D94.4Very high94.3Very high93 Ų9350.5 Ų50.550%0.49727%0.265SS..THydrogen-bonded Turntrans65.712.8-176.8-39.9-50.1000115.1S208 H209 K214 F295 L299S208-D297 CarbonylContact C-O 3.36Å; S208-D297 WeakPolarHBondContact CA-O 3.46Å; H209-D297 PolarHBondContact CD2-O 2.93Å; H209-D297 VanDerWaalsContact CD2-O 3.27Å; H209-D297 PolarHBondContact N-O 3.06Å; K214-D297 IonicContact NZ-OD2 3.7Å; K214-D297 PolarHBondContact NZ-OD2 2.88Å; F295-D297 PolarHBondContact O-N 3.17Å; D297-L299 PolarHBondContact O-N 3.11Å
298S94.5Very high94.3Very high3 Ų351.1 Ų51.12%0.02127%0.271CS..BIsolated β-bridgetrans-54.2137.5174.3176.80000111.1H209 F295 P296 T300 P301H209-S298 PolarHBondContact NE2-O 3.4Å; F295-S298 VanDerWaalsContact O-CB 3.28Å; F295-S298 WeakPolarHBondContact O-CB 3.31Å; F295-S298 PolarHBondContact O-N 2.86Å; P296-S298 PolarHBondContact O-N 3.01Å; S298-T300 PolarHBondContact O-N 2.89Å; S298-T300 PolarHBondContact OG-N 2.94Å; S298-P301 VanDerWaalsContact O-CD 3.29Å; S298-P301 WeakPolarHBondContact O-CD 3.07Å
299L93.8Very high94.3Very high86 Ų8651.6 Ų51.645%0.4527%0.274SS..SBendtrans-62.8-23.5175.8-71.4179.9000113.3N207 H209 D297 P301N207-L299 HydrophobicContact CB-CD1 3.62Å; N207-L299 HydrophobicContact CB-CG 4.18Å; N207-L299 PolarHBondContact O-N 3.14Å; H209-L299 HydrophobicContact CB-CD2 4.42Å; D297-L299 PolarHBondContact O-N 3.11Å; L299-P301 VanDerWaalsContact C-CD 3.5Å
300T92.5Very high94.3Very high34 Ų3455.4 Ų55.421%0.20930%0.297CS..SBendtrans-129.761.3-175.959.20000110.9M290 S298M290-T300 VanDerWaalsContact CB-O 3.28Å; M290-T300 WeakPolarHBondContact CB-O 3.34Å; S298-T300 PolarHBondContact O-N 2.89Å; S298-T300 PolarHBondContact OG-N 2.94Å
301P93.4Very high94.3Very high48 Ų4861.2 Ų61.231%0.31233%0.328SS..THydrogen-bonded Turntrans-73147.3-17932.1-29.6000110.1K292 S298 L299K292-P301 HydrophobicContact CD-CB 4.44Å; K292-P301 HydrophobicContact CG-CB 3.7Å; S298-P301 VanDerWaalsContact O-CD 3.29Å; S298-P301 WeakPolarHBondContact O-CD 3.07Å; L299-P301 VanDerWaalsContact C-CD 3.5Å
302G93.2Very high94.2Very high32 Ų3265.1 Ų65.133%0.3335%0.347SS..THydrogen-bonded Turntrans77.317.6174.600000115.5Y289 M290Y289-G302 VanDerWaalsContact CE2-C 3.43Å; Y289-G302 VanDerWaalsContact CE2-O 3.28Å; Y289-G302 WeakPolarHBondContact CE2-O 3.34Å; Y289-G302 VanDerWaalsContact CZ-CA 3.47Å; Y289-G302 WeakPolarHBondContact OH-CA 3.44Å; Y289-G302 PolarHBondContact OH-O 3.2Å; M290-G302 PolarHBondContact O-N 3.46Å
303Q93.6Very high94.1Very high100 Ų10060.1 Ų60.147%0.46733%0.329SS..  trans-115.8151177.2-64-176.3-1.400111.3M290M290-Q303 WeakPolarHBondContact CB-O 3.32Å; M290-Q303 PolarHBondContact N-O 3.27Å
304Y94.6Very high94.3Very high112 Ų11254.2 Ų54.244%0.43930%0.297SS..EExtended strand (participates in β ladder)trans-79136.8166.5-77.9-81.9000110.3E251 T287 Y288 Y289E251-Y304 PolarHBondContact O-OH 2.79Å; T287-Y304 HydrophobicContact CG2-CD1 3.95Å; Y288-Y304 CarbonylContact O-C 3.58Å; Y288-Y304 WeakPolarHBondContact O-CA 3.21Å; Y289-Y304 HydrophobicContact CD2-CD1 4.21Å; Y289-Y304 AromaticContact CD2-CD2 3.81Å; Y289-Y304 HydrophobicContact CD2-CD2 3.81Å; Y289-Y304 HydrophobicContact CD2-CE1 4.08Å; Y289-Y304 AromaticContact CD2-CE2 3.66Å; Y289-Y304 HydrophobicContact CD2-CE2 3.66Å; Y289-Y304 HydrophobicContact CD2-CG 4.08Å; Y289-Y304 AromaticContact CD2-CZ 3.8Å; Y289-Y304 HydrophobicContact CE2-CD2 4.36Å; Y289-Y304 HydrophobicContact CE2-CE2 4.18Å; Y289-Y304 HydrophobicContact CG-CE1 4.39Å
305V95.3Very high94.5Very high3 Ų359.6 Ų59.62%0.01832%0.315CS..EExtended strand (participates in β ladder)trans-121.2131.3176.9-178.30000108.2T287 Y288 M290 V307 I338 N340T287-V305 WeakPolarHBondContact CA-O 3.37Å; Y288-V305 HydrophobicContact CD1-CB 4.4Å; Y288-V305 HydrophobicContact CE1-CB 3.88Å; Y288-V305 HydrophobicContact CE1-CG1 3.88Å; Y288-V305 HydrophobicContact CE2-CB 4.1Å; Y288-V305 HydrophobicContact CE2-CG2 4.45Å; Y288-V305 PolarHBondContact N-O 2.91Å; Y288-V305 PolarHBondContact O-N 2.8Å; M290-V305 HydrophobicContact CE-CG2 4.3Å; M290-V305 HydrophobicContact CG-CG2 3.64Å; M290-V305 HydrophobicContact SD-CG2 4.45Å; V305-V307 HydrophobicContact CG1-CG1 4.15Å; V305-I338 HydrophobicContact CG1-CG2 4.2Å; V305-I338 HydrophobicContact CG2-CD1 4.31Å; V305-I338 HydrophobicContact CG2-CG2 4.35Å; V305-N340 HydrophobicContact CG1-CB 4.31Å
306N96.4Very high94.6Very high91 Ų9159.7 Ų59.749%0.48732%0.316SS..EExtended strand (participates in β ladder)trans-106.5124.1174.1-62.3-6.7000108.2L286 T287L286-N306 WeakPolarHBondContact O-CA 3.34Å; T287-N306 WeakPolarHBondContact CG2-OD1 3.27Å; T287-N306 PolarHBondContact OG1-OD1 2.02Å; T287-N306 VanDerWaalsContact OG1-OD1 3.06Å
307V97Very high94.7Very high0 Ų059 Ų590%031%0.311CS..EExtended strand (participates in β ladder)trans-121.2139.3171.9-62.60000108.5T285 L286 Y288 V305 L332 K333 C342T285-V307 WeakPolarHBondContact CA-O 3.3Å; L286-V307 HydrophobicContact CB-CG2 3.78Å; L286-V307 HydrophobicContact CD2-CG2 4.18Å; L286-V307 HydrophobicContact CG-CG2 4.35Å; L286-V307 PolarHBondContact N-O 2.98Å; L286-V307 PolarHBondContact O-N 3.22Å; Y288-V307 HydrophobicContact CD1-CG2 4.48Å; Y288-V307 HydrophobicContact CE1-CG1 3.99Å; Y288-V307 HydrophobicContact CE1-CG2 4.06Å; V305-V307 HydrophobicContact CG1-CG1 4.15Å; V307-L332 HydrophobicContact CB-CB 3.89Å; V307-L332 HydrophobicContact CG2-CB 3.78Å; V307-L332 HydrophobicContact CG2-CD1 4.01Å; V307-K333 CarbonylContact C-O 3.5Å; V307-K333 WeakPolarHBondContact CA-O 3.49Å; V307-C342 HydrophobicContact CG2-CB 3.75Å
308S97.2Very high94.9Very high46 Ų4656.1 Ų56.132%0.32230%0.297SS..EExtended strand (participates in β ladder)trans-143.3161.2-179.262.70000113.3I284 K333I284-S308 CarbonylContact O-C 3.55Å; I284-S308 WeakPolarHBondContact O-CA 3.29Å; I284-S308 WeakPolarHBondContact O-CB 3.33Å; S308-K333 PolarHBondContact N-O 2.92Å; S308-K333 PolarHBondContact O-N 2.98Å
309S96.7Very high95Very high9 Ų958 Ų586%0.06332%0.317CS..EExtended strand (participates in β ladder)trans-133.4129.6167.8174.60000108S283 I284 N311S283-S309 WeakPolarHBondContact CA-O 3.29Å; I284-S309 PolarHBondContact N-O 2.78Å; I284-S309 PolarHBondContact O-N 3.34Å; S309-N311 PolarHBondContact OG-N 3.37Å
310N95.1Very high95.1Very high118 Ų11854.6 Ų54.663%0.63130%0.3SS*.  trans-106.219.5174.1-62.7-29.8000111.5D282 S283D282-N310 CarbonylContact O-C 3.57Å; D282-N310 VanDerWaalsContact O-CA 3.26Å; D282-N310 WeakPolarHBondContact O-CA 3.46Å; S283-N310 PolarHBondContact OG-OD1 2.85Å
311N92.1Very high95.4Very high123 Ų12354.4 Ų54.466%0.65830%0.296SS*.SBendtrans-84125.8176.8-65-21.3000108.6S309 V313S309-N311 PolarHBondContact OG-N 3.37Å; N311-V313 PolarHBondContact O-N 3.36Å
312M91.6Very high95.6Very high98 Ų9853.1 Ų53.148%0.48329%0.285SS..  trans-56.7121.8171.6178.7179.459.700110.2T280 L281 R315T280-M312 HydrophobicContact CG2-CG 4.06Å; T280-M312 HydrophobicContact CG2-SD 3.72Å; L281-M312 WeakPolarHBondContact O-CA 3.44Å; M312-R315 HydrophobicContact CE-CG 4.14Å; M312-R315 HydrophobicContact CG-CG 4.29Å; M312-R315 VanDerWaalsContact SD-CD 3.55Å; M312-R315 HydrophobicContact SD-CG 3.51Å; M312-R315 VanDerWaalsContact SD-CG 3.51Å; M312-R315 PolarHBondContact SD-NE 2.95Å
313V92.1Very high95.8Very high43 Ų4352.1 Ų52.126%0.26127%0.273SS..  trans-87.9-44.6-175.2-172.70000112L281 I284 N311 V327 I330L281-V313 HydrophobicContact CB-CB 4.24Å; L281-V313 HydrophobicContact CB-CG2 4.38Å; L281-V313 HydrophobicContact CD2-CB 4.13Å; L281-V313 HydrophobicContact CD2-CG2 3.91Å; L281-V313 HydrophobicContact CG-CB 4.29Å; L281-V313 HydrophobicContact CG-CG2 3.95Å; L281-V313 PolarHBondContact O-N 2.67Å; I284-V313 HydrophobicContact CD1-CG2 4.1Å; N311-V313 PolarHBondContact O-N 3.36Å; V313-V327 HydrophobicContact CG1-CG1 4.31Å; V313-I330 HydrophobicContact CB-CD1 4.49Å; V313-I330 HydrophobicContact CG1-CD1 3.82Å; V313-I330 HydrophobicContact CG2-CD1 3.76Å
314F95.8Very high96Very high13 Ų1347.4 Ų47.46%0.05725%0.251CS..  trans-154.6165.3179.452.1-103.3000110.7F260 Y279 T280 L281 I316 Y322 L349 V351F260-F314 HydrophobicContact CE1-CE2 4.23Å; F260-F314 AromaticContact CE1-CZ 3.88Å; F260-F314 HydrophobicContact CE1-CZ 3.88Å; Y279-F314 HydrophobicContact CE2-CE2 4.34Å; T280-F314 WeakPolarHBondContact CA-O 3.5Å; T280-F314 WeakPolarHBondContact CG2-O 3.5Å; L281-F314 HydrophobicContact CB-CD1 4.47Å; L281-F314 HydrophobicContact CB-CE1 3.86Å; L281-F314 HydrophobicContact CB-CE2 3.97Å; L281-F314 HydrophobicContact CB-CZ 3.57Å; L281-F314 HydrophobicContact CD2-CE1 3.73Å; L281-F314 HydrophobicContact CD2-CZ 3.98Å; L281-F314 HydrophobicContact CG-CE1 4.47Å; L281-F314 HydrophobicContact CG-CZ 4.43Å; F314-I316 HydrophobicContact CD2-CD1 4.47Å; F314-I316 HydrophobicContact CD2-CG1 3.74Å; F314-I316 HydrophobicContact CE2-CG1 4.32Å; F314-Y322 HydrophobicContact CB-CE1 4.14Å; F314-Y322 HydrophobicContact CB-CE2 4.18Å; F314-Y322 AromaticContact CD1-CD1 3.65Å; F314-Y322 HydrophobicContact CD1-CD1 3.65Å; F314-Y322 AromaticContact CD1-CE1 3.35Å; F314-Y322 HydrophobicContact CD1-CE1 3.35Å; F314-Y322 HydrophobicContact CD1-CG 4.48Å; F314-Y322 AromaticContact CD1-CZ 3.97Å; F314-Y322 HydrophobicContact CD2-CD1 4.21Å; F314-Y322 HydrophobicContact CD2-CG 4.33Å; F314-Y322 AromaticContact CE1-CD1 3.78Å; F314-Y322 HydrophobicContact CE1-CD1 3.78Å; F314-Y322 AromaticContact CE1-CE1 3.83Å; F314-Y322 HydrophobicContact CE1-CE1 3.83Å; F314-Y322 HydrophobicContact CE2-CD1 4.3Å; F314-Y322 AromaticContact CG-CD1 3.89Å; F314-Y322 HydrophobicContact CG-CD1 3.89Å; F314-Y322 AromaticContact CG-CE1 3.76Å; F314-Y322 HydrophobicContact CG-CE1 3.76Å; F314-Y322 HydrophobicContact CG-CE2 4.46Å; F314-Y322 HydrophobicContact CG-CG 4.28Å; F314-Y322 HydrophobicContact CZ-CD1 4.1Å; F314-L349 HydrophobicContact CE1-CD2 3.98Å; F314-V351 HydrophobicContact CE1-CG1 4.43Å; F314-V351 HydrophobicContact CE2-CG1 3.99Å; F314-V351 HydrophobicContact CZ-CG1 3.6Å
315R96.1Very high96Very high140 Ų14047 Ų4753%0.52826%0.256SS..EExtended strand (participates in β ladder)trans-133.4127.6178.5-39.3-176.679.5178.83.8110M263 I278 Y279 T280 M312M263-R315 VanDerWaalsContact CE-NH2 3.32Å; M263-R315 PolarHBondContact SD-NH2 3.04Å; I278-R315 HydrophobicContact CG2-CB 3.87Å; Y279-R315 WeakPolarHBondContact O-CA 3.07Å; T280-R315 HydrophobicContact CG2-CB 3.88Å; T280-R315 HydrophobicContact CG2-CG 3.73Å; M312-R315 HydrophobicContact CE-CG 4.14Å; M312-R315 HydrophobicContact CG-CG 4.29Å; M312-R315 VanDerWaalsContact SD-CD 3.55Å; M312-R315 HydrophobicContact SD-CG 3.51Å; M312-R315 VanDerWaalsContact SD-CG 3.51Å; M312-R315 PolarHBondContact SD-NE 2.95Å
316I97.1Very high95.7Very high2 Ų250.8 Ų50.81%0.0128%0.279CS..EExtended strand (participates in β ladder)trans-138.1135.9-170.8-51.9-70.2000110.2I278 Y279 F314 V318 Y322 T367I278-I316 CarbonylContact C-O 3.5Å; I278-I316 WeakPolarHBondContact CA-O 2.87Å; I278-I316 WeakPolarHBondContact CG2-O 3.26Å; Y279-I316 HydrophobicContact CD1-CB 4.24Å; Y279-I316 VanDerWaalsContact CD1-O 3.26Å; Y279-I316 WeakPolarHBondContact CD1-O 3.35Å; Y279-I316 HydrophobicContact CD2-CB 4.46Å; Y279-I316 HydrophobicContact CE1-CB 3.7Å; Y279-I316 HydrophobicContact CE1-CG2 3.68Å; Y279-I316 HydrophobicContact CE2-CB 3.95Å; Y279-I316 HydrophobicContact CE2-CG1 4.27Å; Y279-I316 HydrophobicContact CE2-CG2 4.47Å; Y279-I316 PolarHBondContact N-O 2.9Å; Y279-I316 PolarHBondContact O-N 2.9Å; Y279-I316 WeakPolarHBondContact OH-CG2 3.45Å; F314-I316 HydrophobicContact CD2-CD1 4.47Å; F314-I316 HydrophobicContact CD2-CG1 3.74Å; F314-I316 HydrophobicContact CE2-CG1 4.32Å; I316-V318 PolarHBondContact O-N 3Å; I316-Y322 HydrophobicContact CD1-CD2 3.32Å; I316-Y322 HydrophobicContact CD1-CE2 4.11Å; I316-Y322 HydrophobicContact CD1-CG 3.86Å; I316-Y322 HydrophobicContact CG1-CD2 4.2Å; I316-Y322 HydrophobicContact CG1-CG 4.27Å; I316-T367 HydrophobicContact CD1-CG2 3.74Å
317P96.8Very high95.4Very high45 Ų4546.8 Ų46.829%0.29226%0.258SS..EExtended strand (participates in β ladder)trans-59136.8171.5-23.835.1000112G319 S320P317-G319 PolarHBondContact O-N 2.86Å; P317-S320 VanDerWaalsContact O-CB 3.31Å; P317-S320 WeakPolarHBondContact O-CB 3.17Å; P317-S320 PolarHBondContact O-N 2.82Å
318V97.1Very high95.1Very high33 Ų3350.4 Ų50.420%0.228%0.281CS..THydrogen-bonded Turntrans-59.8135.4169.6173.50000108.9R262 S277 Y279 I316 F354R262-V318 HydrophobicContact CG-CG2 4.2Å; S277-V318 WeakPolarHBondContact O-CB 3.3Å; S277-V318 WeakPolarHBondContact O-CG2 3.14Å; S277-V318 PolarHBondContact O-N 2.74Å; Y279-V318 HydrophobicContact CD1-CG2 3.99Å; I316-V318 PolarHBondContact O-N 3Å; V318-F354 HydrophobicContact CG1-CB 4.36Å; V318-F354 HydrophobicContact CG2-CB 4.47Å
319G96.7Very high95Very high43 Ų4352.2 Ų52.244%0.44329%0.285SS..THydrogen-bonded Turntrans86.28.5-169.600000114P317 G364 N365P317-G319 PolarHBondContact O-N 2.86Å; G319-G364 WeakPolarHBondContact O-CA 3.49Å; G319-N365 PolarHBondContact O-N 3.24Å
320S97.7Very high95Very high13 Ų1352.6 Ų52.69%0.09129%0.286CS..EExtended strand (participates in β ladder)trans-124.3152.2169.5-57.10000109.9Y279 P317 N365Y279-S320 WeakPolarHBondContact CE1-O 3.06Å; Y279-S320 PolarHBondContact OH-O 2.96Å; P317-S320 VanDerWaalsContact O-CB 3.31Å; P317-S320 WeakPolarHBondContact O-CB 3.17Å; P317-S320 PolarHBondContact O-N 2.82Å; S320-N365 CarbonylContact C-O 3.17Å; S320-N365 WeakPolarHBondContact CA-O 3.47Å; S320-N365 WeakPolarHBondContact CB-O 2.91Å
321Y98.4Very high95.1Very high30 Ų3049.8 Ų49.812%0.11827%0.273CS..EExtended strand (participates in β ladder)trans-110.4143.1173.673.5-92.5000110.6K350 V351 F362 G364 N365 E366 T367Y321-K350 HydrophobicContact CE2-CD 4.38Å; Y321-V351 CarbonylContact C-O 3.51Å; Y321-V351 VanDerWaalsContact CA-O 3.3Å; Y321-V351 WeakPolarHBondContact CA-O 2.96Å; Y321-V351 WeakPolarHBondContact CB-O 3.37Å; Y321-F362 HydrophobicContact CD1-CB 3.91Å; Y321-F362 HydrophobicContact CD2-CB 4.35Å; Y321-F362 HydrophobicContact CD2-CD1 4.3Å; Y321-F362 HydrophobicContact CD2-CG 4.44Å; Y321-F362 HydrophobicContact CE1-CB 4.1Å; Y321-F362 HydrophobicContact CG-CB 4.04Å; Y321-F362 HydrophobicContact CG-CD1 4.13Å; Y321-F362 HydrophobicContact CG-CG 4.39Å; Y321-G364 WeakPolarHBondContact CD1-O 3.41Å; Y321-G364 WeakPolarHBondContact CE1-O 3.4Å; Y321-N365 PolarHBondContact N-O 3.27Å; Y321-E366 HydrophobicContact CD2-CG 4.37Å; Y321-E366 HydrophobicContact CE1-CB 3.8Å; Y321-E366 HydrophobicContact CE1-CG 4.38Å; Y321-E366 HydrophobicContact CE2-CB 3.93Å; Y321-E366 HydrophobicContact CE2-CG 3.56Å; Y321-E366 VanDerWaalsContact CZ-CB 3.44Å; Y321-E366 WeakPolarHBondContact OH-CB 3.49Å; Y321-E366 VanDerWaalsContact OH-CD 3.26Å; Y321-E366 PolarHBondContact OH-OE2 3.42Å; Y321-T367 PolarHBondContact O-N 3.11Å
322Y98.1Very high95.4Very high22 Ų2244 Ų449%0.08624%0.242CC..EExtended strand (participates in β ladder)trans-84.2140.3173.2-172.1-126.9000110.3F314 I316 C324 L349 K350 V351 T367 C369F314-Y322 HydrophobicContact CB-CE1 4.14Å; F314-Y322 HydrophobicContact CB-CE2 4.18Å; F314-Y322 AromaticContact CD1-CD1 3.65Å; F314-Y322 HydrophobicContact CD1-CD1 3.65Å; F314-Y322 AromaticContact CD1-CE1 3.35Å; F314-Y322 HydrophobicContact CD1-CE1 3.35Å; F314-Y322 HydrophobicContact CD1-CG 4.48Å; F314-Y322 AromaticContact CD1-CZ 3.97Å; F314-Y322 HydrophobicContact CD2-CD1 4.21Å; F314-Y322 HydrophobicContact CD2-CG 4.33Å; F314-Y322 AromaticContact CE1-CD1 3.78Å; F314-Y322 HydrophobicContact CE1-CD1 3.78Å; F314-Y322 AromaticContact CE1-CE1 3.83Å; F314-Y322 HydrophobicContact CE1-CE1 3.83Å; F314-Y322 HydrophobicContact CE2-CD1 4.3Å; F314-Y322 AromaticContact CG-CD1 3.89Å; F314-Y322 HydrophobicContact CG-CD1 3.89Å; F314-Y322 AromaticContact CG-CE1 3.76Å; F314-Y322 HydrophobicContact CG-CE1 3.76Å; F314-Y322 HydrophobicContact CG-CE2 4.46Å; F314-Y322 HydrophobicContact CG-CG 4.28Å; F314-Y322 HydrophobicContact CZ-CD1 4.1Å; I316-Y322 HydrophobicContact CD1-CD2 3.32Å; I316-Y322 HydrophobicContact CD1-CE2 4.11Å; I316-Y322 HydrophobicContact CD1-CG 3.86Å; I316-Y322 HydrophobicContact CG1-CD2 4.2Å; I316-Y322 HydrophobicContact CG1-CG 4.27Å; Y322-C324 HydrophobicContact CE1-CB 3.96Å; Y322-L349 HydrophobicContact CD1-CD2 3.82Å; Y322-L349 HydrophobicContact CD1-CG 4.36Å; Y322-L349 HydrophobicContact CE1-CD2 3.81Å; Y322-K350 CarbonylContact O-C 3.55Å; Y322-K350 WeakPolarHBondContact O-CA 3.15Å; Y322-V351 HydrophobicContact CD1-CG1 4.2Å; Y322-V351 PolarHBondContact N-O 3.29Å; Y322-V351 PolarHBondContact O-N 2.95Å; Y322-T367 WeakPolarHBondContact CA-O 3.46Å; Y322-T367 WeakPolarHBondContact CD2-O 3.25Å; Y322-C369 HydrophobicContact CE1-CB 4.49Å; Y322-C369 HydrophobicContact CE2-CB 3.66Å; Y322-C369 VanDerWaalsContact CZ-CB 3.49Å; Y322-C369 WeakPolarHBondContact OH-CB 3.5Å
323S97.4Very high95.5Very high10 Ų1045.9 Ų45.97%0.0725%0.248CC..EExtended strand (participates in β ladder)trans-137.3123.7179.6-168.40000109.2L349 E366 T367 L368 C369S323-L349 CarbonylContact C-O 3.51Å; S323-L349 VanDerWaalsContact CA-O 3.31Å; S323-L349 WeakPolarHBondContact CA-O 3.27Å; S323-E366 WeakPolarHBondContact CB-OE1 3.42Å; S323-E366 PolarHBondContact OG-OE1 2.75Å; S323-T367 PolarHBondContact N-O 3.26Å; S323-L368 WeakPolarHBondContact O-CA 3.44Å; S323-C369 PolarHBondContact O-N 3.33Å; S323-C369 VanDerWaalsContact O-N 3.08Å
324C96.5Very high95.5Very high2 Ų245 Ų451%0.01425%0.246CC..EExtended strand (participates in β ladder)trans-148.3119.7-178.3-1630000111.8Y322 T326 V327 N348 L349 C369 D372Y322-C324 HydrophobicContact CE1-CB 3.96Å; C324-T326 VanDerWaalsContact SG-C 3.51Å; C324-T326 PolarHBondContact SG-O 3.35Å; C324-V327 HydrophobicContact CB-CG2 4.03Å; C324-N348 CarbonylContact O-C 3.56Å; C324-N348 WeakPolarHBondContact O-CA 3.21Å; C324-N348 PolarHBondContact O-N 2.86Å; C324-L349 HydrophobicContact CB-CB 4.4Å; C324-L349 PolarHBondContact N-O 2.84Å; C324-L349 PolarHBondContact O-N 2.86Å; C324-C369 WeakPolarHBondContact CA-SG 3.48Å; C324-C369 HydrophobicContact CB-CB 3.54Å; C324-C369 WeakPolarHBondContact CB-SG 3.25Å; C324-C369 WeakPolarHBondContact SG-CB 3.48Å; C324-C369 CovalentContact SG-SG 2.04Å; C324-C369 PolarHBondContact SG-SG 3.39Å; C324-D372 VanDerWaalsContact CA-OD2 3.25Å; C324-D372 WeakPolarHBondContact CA-OD2 3.13Å
325L94.4Very high95Very high104 Ų10448.3 Ų48.355%0.54527%0.265SS..EExtended strand (participates in β ladder)trans-66.8-42.5177.5-63.9171.1000110.1K347 N348 D372L325-K347 CarbonylContact O-C 3.58Å; L325-K347 VanDerWaalsContact O-CA 3.25Å; L325-K347 WeakPolarHBondContact O-CA 3.29Å; L325-N348 PolarHBondContact O-N 3.24Å; L325-D372 WeakPolarHBondContact CB-OD1 3.23Å; L325-D372 VanDerWaalsContact CG-OD2 3.31Å; L325-D372 WeakPolarHBondContact CG-OD2 3.44Å; L325-D372 VanDerWaalsContact N-CG 3.28Å; L325-D372 PolarHBondContact N-OD1 2.91Å; L325-D372 VanDerWaalsContact N-OD1 3.16Å; L325-D372 PolarHBondContact N-OD2 3.46Å
326T89.9Confident94.1Very high82 Ų8251.3 Ų51.350%0.50329%0.285SS..EExtended strand (participates in β ladder)trans-135.8107.1176.7-54.80000110.8C324C324-T326 VanDerWaalsContact SG-C 3.51Å; C324-T326 PolarHBondContact SG-O 3.35Å
327V90.2Very high92.9Very high7 Ų760.4 Ų60.44%0.04233%0.325CS..PPolyproline II helixtrans-75.4141.2172.8-173.50000109.1V313 C324 M346 L349V313-V327 HydrophobicContact CG1-CG1 4.31Å; C324-V327 HydrophobicContact CB-CG2 4.03Å; V327-M346 HydrophobicContact CB-CB 4.05Å; V327-M346 HydrophobicContact CB-CE 4.47Å; V327-M346 HydrophobicContact CG1-CE 4.03Å; V327-M346 HydrophobicContact CG2-CB 3.83Å; V327-M346 HydrophobicContact CG2-CE 4.49Å; V327-M346 PolarHBondContact N-O 3.38Å; V327-L349 HydrophobicContact CG2-CB 3.71Å; V327-L349 HydrophobicContact CG2-CD2 3.49Å; V327-L349 VanDerWaalsContact CG2-CD2 3.49Å; V327-L349 HydrophobicContact CG2-CG 4.23Å
328P91.4Very high91.6Very high76 Ų7659.3 Ų59.349%0.49432%0.316SS..PPolyproline II helixtrans-50.7145.9169.5-27.835.2000112.1I330P328-I330 PolarHBondContact O-N 3.04Å
329E94.4Very high90.6Very high83 Ų8361.6 Ų61.639%0.38833%0.332SS..PPolyproline II helixtrans-59.6125.5177.6-177-164.7118.300110.8K343 F345E329-K343 HydrophobicContact CG-CB 3.97Å; E329-K343 HydrophobicContact CG-CD 4.3Å; E329-K343 HydrophobicContact CG-CG 4.19Å; E329-K343 WeakPolarHBondContact OE1-CD 3.37Å; E329-K343 WeakPolarHBondContact OE1-CE 3.46Å; E329-K343 WeakPolarHBondContact OE1-CG 3.41Å; E329-K343 IonicContact OE1-NZ 2.95Å; E329-K343 PolarHBondContact OE1-NZ 2.94Å; E329-K343 IonicContact OE2-NZ 3.92Å; E329-K343 PolarHBondContact OE2-NZ 3.26Å; E329-F345 HydrophobicContact CB-CD1 4.35Å; E329-F345 HydrophobicContact CB-CE1 4Å; E329-F345 HydrophobicContact CG-CD1 4.18Å; E329-F345 HydrophobicContact CG-CE1 3.59Å; E329-F345 HydrophobicContact CG-CZ 3.85Å
330I96.6Very high89.9Confident18 Ų1859.8 Ų59.89%0.09231%0.312CS..EExtended strand (participates in β ladder)trans-101.1119.6178-52.9176.8000109I284 V313 P328 L332 K343 L344 M346I284-I330 HydrophobicContact CD1-CD1 3.57Å; I284-I330 HydrophobicContact CD1-CG2 4.33Å; V313-I330 HydrophobicContact CB-CD1 4.49Å; V313-I330 HydrophobicContact CG1-CD1 3.82Å; V313-I330 HydrophobicContact CG2-CD1 3.76Å; P328-I330 PolarHBondContact O-N 3.04Å; I330-L332 HydrophobicContact CG2-CD2 4.06Å; I330-K343 WeakPolarHBondContact O-CA 3.5Å; I330-L344 HydrophobicContact CB-CB 4.27Å; I330-L344 HydrophobicContact CD1-CD2 4.34Å; I330-L344 PolarHBondContact N-O 3.05Å; I330-L344 PolarHBondContact O-N 2.88Å; I330-M346 HydrophobicContact CD1-CE 3.55Å
331T97Very high89.6Confident59 Ų5962.4 Ų62.436%0.36232%0.324SS..EExtended strand (participates in β ladder)trans-87.5116.1173.8-61.40000110.5K333T331-K333 HydrophobicContact CG2-CG 4.41Å
332L97.3Very high89.5Confident0 Ų061 Ų610%032%0.319CS..EExtended strand (participates in β ladder)trans-91.7129.2169.8-46.8-180000109I284 L286 V307 I330 N341 C342 L344I284-L332 HydrophobicContact CB-CD2 3.96Å; I284-L332 HydrophobicContact CG2-CD1 4.2Å; I284-L332 HydrophobicContact CG2-CD2 3.77Å; L286-L332 HydrophobicContact CB-CD1 3.92Å; V307-L332 HydrophobicContact CB-CB 3.89Å; V307-L332 HydrophobicContact CG2-CB 3.78Å; V307-L332 HydrophobicContact CG2-CD1 4.01Å; I330-L332 HydrophobicContact CG2-CD2 4.06Å; L332-N341 WeakPolarHBondContact O-CA 3.48Å; L332-C342 HydrophobicContact CB-CB 4.21Å; L332-C342 WeakPolarHBondContact CB-O 3.41Å; L332-C342 HydrophobicContact CD1-CB 4.42Å; L332-C342 PolarHBondContact N-O 2.83Å; L332-C342 PolarHBondContact O-N 3.47Å; L332-L344 HydrophobicContact CD1-CB 4.47Å
333K95.6Very high89.5Confident139 Ų13962.7 Ų62.760%0.60433%0.327SS*.EExtended strand (participates in β ladder)trans-104.9137.7-178.6-65.4-177-180179.90110.5V307 S308 T331V307-K333 CarbonylContact C-O 3.5Å; V307-K333 WeakPolarHBondContact CA-O 3.49Å; S308-K333 PolarHBondContact N-O 2.92Å; S308-K333 PolarHBondContact O-N 2.98Å; T331-K333 HydrophobicContact CG2-CG 4.41Å
334G91.5Very high89.5Confident23 Ų2362.3 Ų62.324%0.23732%0.324CS..  trans-73.4-178.4170.200000112.8N340G334-N340 WeakPolarHBondContact CA-O 3.15Å; G334-N340 PolarHBondContact N-O 2.87Å
335N85.5Confident89.4Confident83 Ų8364.2 Ų64.244%0.44433%0.332SS..  trans-75.1162.4171.262.721000111.3K337 I338N335-K337 PolarHBondContact O-N 2.77Å; N335-K337 PolarHBondContact OD1-N 2.76Å; N335-I338 CarbonylContact O-C 3.6Å; N335-I338 PolarHBondContact O-N 2.89Å; N335-I338 WeakPolarHBondContact OD1-CB 3.41Å; N335-I338 PolarHBondContact OD1-N 2.84Å
336E76.2Confident89.5Confident203 Ų20359.5 Ų59.595%0.94931%0.307SS*.THydrogen-bonded Turntrans-56.7-26.9-179.4-64.3-179.7172.200113.5I338E336-I338 VanDerWaalsContact C-N 3.34Å
337K72.4Confident89.8Confident194 Ų19460.5 Ų60.584%0.84331%0.305SS*.THydrogen-bonded Turntrans-74.4-26.3180-63.6-174.6179.8-178.30112.7N335N335-K337 PolarHBondContact O-N 2.77Å; N335-K337 PolarHBondContact OD1-N 2.76Å
338I69.3Low90.1Very high22 Ų2262.6 Ų62.611%0.11332%0.316CS..SBendtrans-134.692.1-175.3-53.1178.6000106.6V305 N335 E336 N340V305-I338 HydrophobicContact CG1-CG2 4.2Å; V305-I338 HydrophobicContact CG2-CD1 4.31Å; V305-I338 HydrophobicContact CG2-CG2 4.35Å; N335-I338 CarbonylContact O-C 3.6Å; N335-I338 PolarHBondContact O-N 2.89Å; N335-I338 WeakPolarHBondContact OD1-CB 3.41Å; N335-I338 PolarHBondContact OD1-N 2.84Å; E336-I338 VanDerWaalsContact C-N 3.34Å; I338-N340 HydrophobicContact CG2-CB 4.06Å; I338-N340 VanDerWaalsContact CG2-CG 3.43Å; I338-N340 WeakPolarHBondContact CG2-ND2 3.29Å; I338-N340 PolarHBondContact O-N 2.9Å
339P77.3Confident90.4Very high81 Ų8159 Ų5953%0.52629%0.293SS..  trans-74.536-176.534.4-38.1000112.1
340N80.3Confident90.6Very high5 Ų558.1 Ų58.13%0.02729%0.287CS..  trans-72.9135.5171.9-66.1-17.4000108.1F205 Y288 M290 V305 G334 I338F205-N340 WeakPolarHBondContact O-CB 3.44Å; Y288-N340 WeakPolarHBondContact OH-CB 3.33Å; Y288-N340 PolarHBondContact OH-ND2 2.88Å; M290-N340 WeakPolarHBondContact CE-ND2 3.49Å; V305-N340 HydrophobicContact CG1-CB 4.31Å; G334-N340 WeakPolarHBondContact CA-O 3.15Å; G334-N340 PolarHBondContact N-O 2.87Å; I338-N340 HydrophobicContact CG2-CB 4.06Å; I338-N340 VanDerWaalsContact CG2-CG 3.43Å; I338-N340 WeakPolarHBondContact CG2-ND2 3.29Å; I338-N340 PolarHBondContact O-N 2.9Å
341N91.6Very high90.7Very high67 Ų6757.2 Ų57.236%0.35828%0.283SS..EExtended strand (participates in β ladder)trans-114.8149.3172.4-61.9-47.4000107.7F205 L332F205-N341 WeakPolarHBondContact CB-O 3.05Å; F205-N341 WeakPolarHBondContact CD2-O 3.27Å; F205-N341 PolarHBondContact N-O 2.93Å; L332-N341 WeakPolarHBondContact O-CA 3.48Å
342C96.6Very high90.7Very high0 Ų054.7 Ų54.70%027%0.267CS..EExtended strand (participates in β ladder)trans-127.5131.9170.4-176.20000108.5Q203 V204 L286 V307 L332Q203-C342 CarbonylContact O-C 3.56Å; Q203-C342 WeakPolarHBondContact O-CA 3.16Å; V204-C342 HydrophobicContact CG2-CB 4.31Å; L286-C342 HydrophobicContact CD2-CB 4.45Å; V307-C342 HydrophobicContact CG2-CB 3.75Å; L332-C342 HydrophobicContact CB-CB 4.21Å; L332-C342 WeakPolarHBondContact CB-O 3.41Å; L332-C342 HydrophobicContact CD1-CB 4.42Å; L332-C342 PolarHBondContact N-O 2.83Å; L332-C342 PolarHBondContact O-N 3.47Å
343K97.3Very high90.8Very high59 Ų5954.7 Ų54.726%0.25727%0.267SS..EExtended strand (participates in β ladder)trans-94.8128.1169.4-64.1172.7168-132.40108.6F202 Q203 F205 E329 I330 F345F202-K343 CarbonylContact C-O 3.48Å; F202-K343 WeakPolarHBondContact CA-O 3.45Å; Q203-K343 HydrophobicContact CB-CB 4.24Å; Q203-K343 PolarHBondContact N-O 2.87Å; Q203-K343 PolarHBondContact O-N 2.9Å; F205-K343 HydrophobicContact CE2-CB 4.27Å; F205-K343 HydrophobicContact CE2-CD 3.5Å; F205-K343 HydrophobicContact CE2-CG 3.64Å; F205-K343 HydrophobicContact CZ-CD 3.68Å; F205-K343 HydrophobicContact CZ-CG 4.33Å; E329-K343 HydrophobicContact CG-CB 3.97Å; E329-K343 HydrophobicContact CG-CD 4.3Å; E329-K343 HydrophobicContact CG-CG 4.19Å; E329-K343 WeakPolarHBondContact OE1-CD 3.37Å; E329-K343 WeakPolarHBondContact OE1-CE 3.46Å; E329-K343 WeakPolarHBondContact OE1-CG 3.41Å; E329-K343 IonicContact OE1-NZ 2.95Å; E329-K343 PolarHBondContact OE1-NZ 2.94Å; E329-K343 IonicContact OE2-NZ 3.92Å; E329-K343 PolarHBondContact OE2-NZ 3.26Å; I330-K343 WeakPolarHBondContact O-CA 3.5Å; K343-F345 HydrophobicContact CB-CE2 3.66Å; K343-F345 HydrophobicContact CB-CZ 3.88Å; K343-F345 HydrophobicContact CD-CZ 4.23Å
344L97.4Very high90.9Very high1 Ų149.2 Ų49.21%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-103.3128.7174.5169.265.7000109I200 F202 I284 I330 L332 M346I200-L344 HydrophobicContact CG2-CD1 3.6Å; F202-L344 HydrophobicContact CD1-CD1 3.96Å; F202-L344 HydrophobicContact CE1-CD1 3.66Å; F202-L344 HydrophobicContact CZ-CD1 4.12Å; I284-L344 HydrophobicContact CD1-CD2 3.83Å; I284-L344 HydrophobicContact CG2-CD2 3.8Å; I330-L344 HydrophobicContact CB-CB 4.27Å; I330-L344 HydrophobicContact CD1-CD2 4.34Å; I330-L344 PolarHBondContact N-O 3.05Å; I330-L344 PolarHBondContact O-N 2.88Å; L332-L344 HydrophobicContact CD1-CB 4.47Å; L344-M346 HydrophobicContact CD1-CG 4.16Å; L344-M346 HydrophobicContact CD2-CE 4.24Å; L344-M346 HydrophobicContact CD2-CG 4.5Å; L344-M346 HydrophobicContact CD2-SD 4.29Å; L344-M346 HydrophobicContact CG-CG 4.22Å
345F96.3Very high91.2Very high43 Ų4349 Ų4919%0.18924%0.236CC..EExtended strand (participates in β ladder)trans-117.8129.5174.9-55.3-91000108.5M201 Q203 E329 K343M201-F345 HydrophobicContact CB-CB 4.28Å; M201-F345 HydrophobicContact CE-CB 3.94Å; M201-F345 HydrophobicContact CE-CD1 4.37Å; M201-F345 HydrophobicContact CE-CD2 3.47Å; M201-F345 VanDerWaalsContact CE-CD2 3.47Å; M201-F345 HydrophobicContact CE-CE2 4.03Å; M201-F345 HydrophobicContact CE-CG 3.66Å; M201-F345 PolarHBondContact N-O 2.74Å; M201-F345 PolarHBondContact O-N 2.93Å; Q203-F345 HydrophobicContact CB-CE2 3.97Å; E329-F345 HydrophobicContact CB-CD1 4.35Å; E329-F345 HydrophobicContact CB-CE1 4Å; E329-F345 HydrophobicContact CG-CD1 4.18Å; E329-F345 HydrophobicContact CG-CE1 3.59Å; E329-F345 HydrophobicContact CG-CZ 3.85Å; K343-F345 HydrophobicContact CB-CE2 3.66Å; K343-F345 HydrophobicContact CB-CZ 3.88Å; K343-F345 HydrophobicContact CD-CZ 4.23Å
346M96.3Very high91.7Very high4 Ų451 Ų512%0.0225%0.246CC..EExtended strand (participates in β ladder)trans-123.6125.8176.2-67.9-176.9-69.400109F196 S198 D199 I200 V327 I330 L344 L349F196-M346 HydrophobicContact CZ-SD 4.37Å; S198-M346 WeakPolarHBondContact OG-CB 3.35Å; D199-M346 WeakPolarHBondContact O-CA 3.14Å; I200-M346 HydrophobicContact CG1-CG 4.26Å; V327-M346 HydrophobicContact CB-CB 4.05Å; V327-M346 HydrophobicContact CB-CE 4.47Å; V327-M346 HydrophobicContact CG1-CE 4.03Å; V327-M346 HydrophobicContact CG2-CB 3.83Å; V327-M346 HydrophobicContact CG2-CE 4.49Å; V327-M346 PolarHBondContact N-O 3.38Å; I330-M346 HydrophobicContact CD1-CE 3.55Å; L344-M346 HydrophobicContact CD1-CG 4.16Å; L344-M346 HydrophobicContact CD2-CE 4.24Å; L344-M346 HydrophobicContact CD2-CG 4.5Å; L344-M346 HydrophobicContact CD2-SD 4.29Å; L344-M346 HydrophobicContact CG-CG 4.22Å; M346-L349 HydrophobicContact CE-CD2 4.43Å; M346-L349 HydrophobicContact SD-CD1 4.5Å
347K95.6Very high92.7Very high104 Ų10443.5 Ų43.545%0.45221%0.213SC..EExtended strand (participates in β ladder)trans-118.9148.9176.2-66.7-178.2178.6-177.70110.4S198 D199 L325 L349S198-K347 PolarHBondContact OG-O 2.97Å; D199-K347 HydrophobicContact CB-CB 4.18Å; D199-K347 PolarHBondContact N-O 2.81Å; D199-K347 PolarHBondContact O-N 2.83Å; L325-K347 CarbonylContact O-C 3.58Å; L325-K347 VanDerWaalsContact O-CA 3.25Å; L325-K347 WeakPolarHBondContact O-CA 3.29Å; K347-L349 PolarHBondContact O-N 2.89Å
348N95.9Very high93.9Very high51 Ų5139 Ų3927%0.27321%0.206SC..EExtended strand (participates in β ladder)trans50.640.9-177.5-53.8-60.4000111.9V181 C324 L325 K350V181-N348 HydrophobicContact CG2-CB 4.05Å; C324-N348 CarbonylContact O-C 3.56Å; C324-N348 WeakPolarHBondContact O-CA 3.21Å; C324-N348 PolarHBondContact O-N 2.86Å; L325-N348 PolarHBondContact O-N 3.24Å; N348-K350 PolarHBondContact O-N 2.82Å
349L97.6Very high95.3Very high1 Ų142 Ų421%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-67.7121.5-179.9175.264.1000109.1F196 Q197 F314 Y322 S323 C324 V327 M346 K347F196-L349 HydrophobicContact CD2-CD1 4.07Å; F196-L349 HydrophobicContact CE2-CD1 3.41Å; F196-L349 VanDerWaalsContact CE2-CD1 3.41Å; F196-L349 HydrophobicContact CZ-CD1 3.88Å; Q197-L349 CarbonylContact O-C 3.52Å; Q197-L349 VanDerWaalsContact O-CA 3.29Å; Q197-L349 WeakPolarHBondContact O-CA 3.44Å; F314-L349 HydrophobicContact CE1-CD2 3.98Å; Y322-L349 HydrophobicContact CD1-CD2 3.82Å; Y322-L349 HydrophobicContact CD1-CG 4.36Å; Y322-L349 HydrophobicContact CE1-CD2 3.81Å; S323-L349 CarbonylContact C-O 3.51Å; S323-L349 VanDerWaalsContact CA-O 3.31Å; S323-L349 WeakPolarHBondContact CA-O 3.27Å; C324-L349 HydrophobicContact CB-CB 4.4Å; C324-L349 PolarHBondContact N-O 2.84Å; C324-L349 PolarHBondContact O-N 2.86Å; V327-L349 HydrophobicContact CG2-CB 3.71Å; V327-L349 HydrophobicContact CG2-CD2 3.49Å; V327-L349 VanDerWaalsContact CG2-CD2 3.49Å; V327-L349 HydrophobicContact CG2-CG 4.23Å; M346-L349 HydrophobicContact CE-CD2 4.43Å; M346-L349 HydrophobicContact SD-CD1 4.5Å; K347-L349 PolarHBondContact O-N 2.89Å
350K98.2Very high96.3Very high63 Ų6341.2 Ų41.227%0.27422%0.215SC..EExtended strand (participates in β ladder)trans-125.7131.1162.7-60.7-169.6174.5-157.10109.9F196 Q197 Y321 Y322 N348 F362F196-K350 CarbonylContact C-O 3.37Å; F196-K350 WeakPolarHBondContact CA-O 3.37Å; Q197-K350 HydrophobicContact CB-CB 4.24Å; Q197-K350 PolarHBondContact N-O 3.05Å; Q197-K350 PolarHBondContact O-N 2.96Å; Y321-K350 HydrophobicContact CE2-CD 4.38Å; Y322-K350 CarbonylContact O-C 3.55Å; Y322-K350 WeakPolarHBondContact O-CA 3.15Å; N348-K350 PolarHBondContact O-N 2.82Å; K350-F362 HydrophobicContact CB-CD2 4.43Å; K350-F362 HydrophobicContact CB-CE1 3.9Å; K350-F362 HydrophobicContact CB-CE2 3.81Å; K350-F362 HydrophobicContact CB-CZ 3.51Å; K350-F362 HydrophobicContact CD-CD2 4.32Å; K350-F362 HydrophobicContact CD-CE2 4.23Å
351V98.6Very high97.1Very high0 Ų042.7 Ų42.70%023%0.227CC..EExtended strand (participates in β ladder)trans-145.9135.9178.957.70000111.4F194 L195 F196 F260 Y279 F314 Y321 Y322F194-V351 HydrophobicContact CE2-CG2 3.67Å; F194-V351 HydrophobicContact CZ-CG2 3.93Å; L195-V351 WeakPolarHBondContact O-CA 3.47Å; F196-V351 HydrophobicContact CD2-CB 4.07Å; F196-V351 HydrophobicContact CD2-CG2 4.03Å; F260-V351 HydrophobicContact CE1-CG2 3.67Å; F260-V351 HydrophobicContact CZ-CG2 3.78Å; Y279-V351 PolarHBondContact OH-O 2.91Å; F314-V351 HydrophobicContact CE1-CG1 4.43Å; F314-V351 HydrophobicContact CE2-CG1 3.99Å; F314-V351 HydrophobicContact CZ-CG1 3.6Å; Y321-V351 CarbonylContact C-O 3.51Å; Y321-V351 VanDerWaalsContact CA-O 3.3Å; Y321-V351 WeakPolarHBondContact CA-O 2.96Å; Y321-V351 WeakPolarHBondContact CB-O 3.37Å; Y322-V351 HydrophobicContact CD1-CG1 4.2Å; Y322-V351 PolarHBondContact N-O 3.29Å; Y322-V351 PolarHBondContact O-N 2.95Å
352E98.6Very high97.4Very high5 Ų541.6 Ų41.62%0.02322%0.219CC..EExtended strand (participates in β ladder)trans-136.5120.1173.4-171171.9176.200108F194 L195 M355 F362 I363 G364F194-E352 CarbonylContact C-O 3.47Å; F194-E352 WeakPolarHBondContact CA-O 3.46Å; L195-E352 PolarHBondContact N-O 2.96Å; L195-E352 PolarHBondContact O-N 3.06Å; E352-M355 HydrophobicContact CB-CE 3.77Å; E352-M355 HydrophobicContact CG-CE 3.53Å; E352-M355 WeakPolarHBondContact OE2-CE 3.35Å; E352-F362 HydrophobicContact CB-CD1 3.84Å; E352-F362 HydrophobicContact CB-CE1 4.17Å; E352-F362 VanDerWaalsContact OE2-CA 3.27Å; E352-F362 WeakPolarHBondContact OE2-CA 3.43Å; E352-I363 PolarHBondContact OE2-N 2.79Å; E352-I363 VanDerWaalsContact OE2-N 3.11Å; E352-G364 PolarHBondContact OE1-N 2.84Å
353A98.3Very high97.4Very high0 Ų046 Ų460%024%0.242CC..EExtended strand (participates in β ladder)trans-116.1158.2-178.200000111F194 Y279 M355F194-A353 HydrophobicContact CD2-CB 3.67Å; F194-A353 HydrophobicContact CE2-CB 4.01Å; Y279-A353 HydrophobicContact CD2-CB 3.86Å; Y279-A353 HydrophobicContact CE2-CB 4Å; Y279-A353 HydrophobicContact CG-CB 4.19Å; A353-M355 PolarHBondContact O-N 2.79Å
354F98Very high97.4Very high24 Ų2443.9 Ų43.911%0.10524%0.237CC..EExtended strand (participates in β ladder)trans59.433178.9-48.8-82.1000113.3C193 T237 F260 R262 Y279 V318C193-F354 PolarHBondContact O-N 2.85Å; T237-F354 WeakPolarHBondContact OG1-CE1 3.47Å; F260-F354 HydrophobicContact CB-CE2 4.31Å; R262-F354 HydrophobicContact CB-CD1 4.11Å; R262-F354 HydrophobicContact CB-CD2 4.19Å; R262-F354 HydrophobicContact CB-CE1 3.75Å; R262-F354 HydrophobicContact CB-CE2 3.87Å; R262-F354 HydrophobicContact CB-CG 4.31Å; R262-F354 HydrophobicContact CB-CZ 3.62Å; Y279-F354 VanDerWaalsContact CB-CE2 3.46Å; Y279-F354 HydrophobicContact CD1-CD2 4.4Å; Y279-F354 HydrophobicContact CG-CD2 4.05Å; Y279-F354 HydrophobicContact CG-CE2 4.21Å; V318-F354 HydrophobicContact CG1-CB 4.36Å; V318-F354 HydrophobicContact CG2-CB 4.47Å
355M97.2Very high97.4Very high18 Ų1849.8 Ų49.89%0.08927%0.269CS..EExtended strand (participates in β ladder)trans-78.9164.2173.853.2159.658.300111.6Y192 C193 L195 E352 A353Y192-M355 CarbonylContact O-C 3.57Å; Y192-M355 VanDerWaalsContact O-CG 3.29Å; Y192-M355 WeakPolarHBondContact O-CG 3.32Å; C193-M355 WeakPolarHBondContact CA-O 3.47Å; C193-M355 WeakPolarHBondContact O-CG 3.46Å; C193-M355 PolarHBondContact O-N 2.75Å; C193-M355 VanDerWaalsContact O-N 3.08Å; L195-M355 HydrophobicContact CB-CE 4.34Å; L195-M355 HydrophobicContact CD1-CE 3.6Å; L195-M355 HydrophobicContact CD1-SD 4.11Å; L195-M355 HydrophobicContact CG-CE 3.69Å; L195-M355 HydrophobicContact CG-SD 3.81Å; E352-M355 HydrophobicContact CB-CE 3.77Å; E352-M355 HydrophobicContact CG-CE 3.53Å; E352-M355 WeakPolarHBondContact OE2-CE 3.35Å; A353-M355 PolarHBondContact O-N 2.79Å
356N97Very high97.4Very high125 Ų12552.2 Ų52.267%0.66828%0.281SS*.EExtended strand (participates in β ladder)trans-141.361.3172.6-175.618.6000109.2S191S191-N356 WeakPolarHBondContact CB-OD1 3.37Å; S191-N356 PolarHBondContact OG-OD1 2.68Å
357N97Very high97.4Very high47 Ų4754.1 Ų54.125%0.25129%0.293SS..EExtended strand (participates in β ladder)trans-116.8143.3-173.6-66.6-34.3000110.5S191 Y192 V359 I363S191-N357 CarbonylContact C-O 3.52Å; S191-N357 WeakPolarHBondContact CA-O 3.46Å; Y192-N357 PolarHBondContact N-O 3.29Å; Y192-N357 PolarHBondContact O-N 3.3Å; N357-V359 VanDerWaalsContact C-N 3.28Å; N357-I363 HydrophobicContact CB-CD1 3.76Å; N357-I363 WeakPolarHBondContact ND2-CD1 3.15Å
358S97.5Very high97.4Very high99 Ų9953.4 Ų53.469%0.69229%0.293SS*.SBendtrans-77.2-16.6174.755.10000113.2
359V98Very high97.3Very high84 Ų8451.2 Ų51.251%0.50928%0.282SS..SBendtrans-103.1135.5-175.1-176.40000110.4N357 A361 I363N357-V359 VanDerWaalsContact C-N 3.28Å; V359-A361 HydrophobicContact CG1-CB 3.89Å; V359-A361 PolarHBondContact O-N 2.73Å; V359-I363 HydrophobicContact CB-CD1 4.34Å
360E97.9Very high97Very high66 Ų6658.3 Ų58.331%0.30832%0.32SS..SBendtrans-8055.3178.1-158.3-173.5166.500112.5K183 S185 Y192 L195K183-E360 PolarHBondContact NZ-O 2.81Å; K183-E360 IonicContact NZ-OE1 2.67Å; S185-E360 VanDerWaalsContact CB-OE1 3.23Å; S185-E360 WeakPolarHBondContact CB-OE1 3.35Å; S185-E360 PolarHBondContact OG-OE1 2.95Å; Y192-E360 HydrophobicContact CD1-CB 4.45Å; Y192-E360 HydrophobicContact CD1-CG 4.02Å; Y192-E360 HydrophobicContact CD2-CB 4.06Å; Y192-E360 HydrophobicContact CD2-CG 4.5Å; Y192-E360 HydrophobicContact CE1-CB 3.94Å; Y192-E360 HydrophobicContact CE1-CG 3.56Å; Y192-E360 HydrophobicContact CE2-CB 3.51Å; Y192-E360 HydrophobicContact CE2-CG 4.1Å; Y192-E360 HydrophobicContact CG-CB 4.49Å; Y192-E360 HydrophobicContact CG-CG 4.46Å; Y192-E360 VanDerWaalsContact CZ-CB 3.42Å; Y192-E360 PolarHBondContact OH-OE2 2.83Å; L195-E360 HydrophobicContact CD2-CG 3.58Å
361A98.1Very high96.4Very high36 Ų3658.6 Ų58.630%0.29833%0.33SS..SBendtrans-132.4149.9-178.200000111L195 V359 I363L195-A361 VanDerWaalsContact CD1-O 3.3Å; L195-A361 WeakPolarHBondContact CD1-O 3.04Å; V359-A361 HydrophobicContact CG1-CB 3.89Å; V359-A361 PolarHBondContact O-N 2.73Å; A361-I363 HydrophobicContact CB-CG1 4.32Å; A361-I363 PolarHBondContact O-N 3.38Å
362F98.2Very high95.8Very high43 Ų4360 Ų6019%0.18934%0.337CS..  trans-69.9108167.9-63-75.8000108L195 Q197 Y321 K350 E352L195-F362 HydrophobicContact CB-CD1 4.27Å; L195-F362 HydrophobicContact CB-CE1 3.67Å; L195-F362 HydrophobicContact CB-CZ 3.97Å; L195-F362 HydrophobicContact CD1-CD1 4.37Å; L195-F362 HydrophobicContact CD1-CE1 4.49Å; Q197-F362 HydrophobicContact CB-CE2 4.23Å; Q197-F362 HydrophobicContact CB-CZ 4Å; Y321-F362 HydrophobicContact CD1-CB 3.91Å; Y321-F362 HydrophobicContact CD2-CB 4.35Å; Y321-F362 HydrophobicContact CD2-CD1 4.3Å; Y321-F362 HydrophobicContact CD2-CG 4.44Å; Y321-F362 HydrophobicContact CE1-CB 4.1Å; Y321-F362 HydrophobicContact CG-CB 4.04Å; Y321-F362 HydrophobicContact CG-CD1 4.13Å; Y321-F362 HydrophobicContact CG-CG 4.39Å; K350-F362 HydrophobicContact CB-CD2 4.43Å; K350-F362 HydrophobicContact CB-CE1 3.9Å; K350-F362 HydrophobicContact CB-CE2 3.81Å; K350-F362 HydrophobicContact CB-CZ 3.51Å; K350-F362 HydrophobicContact CD-CD2 4.32Å; K350-F362 HydrophobicContact CD-CE2 4.23Å; E352-F362 HydrophobicContact CB-CD1 3.84Å; E352-F362 HydrophobicContact CB-CE1 4.17Å; E352-F362 VanDerWaalsContact OE2-CA 3.27Å; E352-F362 WeakPolarHBondContact OE2-CA 3.43Å
363I97Very high94.8Very high92 Ų9263.4 Ų63.447%0.47236%0.358SS..  trans-107.8-30.1-172.4-69.5160.7000111E352 N357 V359 A361E352-I363 PolarHBondContact OE2-N 2.79Å; E352-I363 VanDerWaalsContact OE2-N 3.11Å; N357-I363 HydrophobicContact CB-CD1 3.76Å; N357-I363 WeakPolarHBondContact ND2-CD1 3.15Å; V359-I363 HydrophobicContact CB-CD1 4.34Å; A361-I363 HydrophobicContact CB-CG1 4.32Å; A361-I363 PolarHBondContact O-N 3.38Å
364G95.8Very high93.2Very high15 Ų1569.4 Ų69.416%0.15539%0.391CS..SBendtrans-60.6172.3179.900000114.1G319 Y321 E352G319-G364 WeakPolarHBondContact O-CA 3.49Å; Y321-G364 WeakPolarHBondContact CD1-O 3.41Å; Y321-G364 WeakPolarHBondContact CE1-O 3.4Å; E352-G364 PolarHBondContact OE1-N 2.84Å
365N97.2Very high91.4Very high125 Ų12574 Ų7467%0.66842%0.42SS*.EExtended strand (participates in β ladder)trans-66.8137.1172.3-66.2-32000110.3G319 S320 Y321 T367G319-N365 PolarHBondContact O-N 3.24Å; S320-N365 CarbonylContact C-O 3.17Å; S320-N365 WeakPolarHBondContact CA-O 3.47Å; S320-N365 WeakPolarHBondContact CB-O 2.91Å; Y321-N365 PolarHBondContact N-O 3.27Å; N365-T367 PolarHBondContact O-N 2.9Å
366E97.4Very high89.6Confident94 Ų9477.4 Ų77.444%0.43944%0.439SS..EExtended strand (participates in β ladder)trans-71.6127.4177.1-171.3164.6-14800110.6Y321 S323 L368Y321-E366 HydrophobicContact CD2-CG 4.37Å; Y321-E366 HydrophobicContact CE1-CB 3.8Å; Y321-E366 HydrophobicContact CE1-CG 4.38Å; Y321-E366 HydrophobicContact CE2-CB 3.93Å; Y321-E366 HydrophobicContact CE2-CG 3.56Å; Y321-E366 VanDerWaalsContact CZ-CB 3.44Å; Y321-E366 WeakPolarHBondContact OH-CB 3.49Å; Y321-E366 VanDerWaalsContact OH-CD 3.26Å; Y321-E366 PolarHBondContact OH-OE2 3.42Å; S323-E366 WeakPolarHBondContact CB-OE1 3.42Å; S323-E366 PolarHBondContact OG-OE1 2.75Å; E366-L368 HydrophobicContact CG-CD2 4.19Å; E366-L368 HydrophobicContact CG-CG 4.47Å
367T96.6Very high88.3Confident45 Ų4576.1 Ų76.128%0.27643%0.432SS..EExtended strand (participates in β ladder)trans-113.3111.6168.8-55.30000108.5I316 Y321 Y322 S323 N365I316-T367 HydrophobicContact CD1-CG2 3.74Å; Y321-T367 PolarHBondContact O-N 3.11Å; Y322-T367 WeakPolarHBondContact CA-O 3.46Å; Y322-T367 WeakPolarHBondContact CD2-O 3.25Å; S323-T367 PolarHBondContact N-O 3.26Å; N365-T367 PolarHBondContact O-N 2.9Å
368L95.5Very high87.5Confident89 Ų8980.7 Ų80.747%0.46645%0.453SS..EExtended strand (participates in β ladder)trans-77.8150.1178.7-64.7170.8000111.1S323 E366S323-L368 WeakPolarHBondContact O-CA 3.44Å; E366-L368 HydrophobicContact CG-CD2 4.19Å; E366-L368 HydrophobicContact CG-CG 4.47Å
369C94.3Very high86.8Confident4 Ų480.6 Ų80.63%0.02745%0.449CS..  trans-77.7152172.2690000112.7Y322 S323 C324 S371 D372 V373Y322-C369 HydrophobicContact CE1-CB 4.49Å; Y322-C369 HydrophobicContact CE2-CB 3.66Å; Y322-C369 VanDerWaalsContact CZ-CB 3.49Å; Y322-C369 WeakPolarHBondContact OH-CB 3.5Å; S323-C369 PolarHBondContact O-N 3.33Å; S323-C369 VanDerWaalsContact O-N 3.08Å; C324-C369 WeakPolarHBondContact CA-SG 3.48Å; C324-C369 HydrophobicContact CB-CB 3.54Å; C324-C369 WeakPolarHBondContact CB-SG 3.25Å; C324-C369 WeakPolarHBondContact SG-CB 3.48Å; C324-C369 CovalentContact SG-SG 2.04Å; C324-C369 PolarHBondContact SG-SG 3.39Å; C369-S371 PolarHBondContact O-N 3.26Å; C369-S371 VanDerWaalsContact O-N 3.08Å; C369-D372 PolarHBondContact O-N 3.29Å; C369-D372 PolarHBondContact SG-OD1 3.08Å; C369-V373 PolarHBondContact O-N 3.21Å; C369-V373 VanDerWaalsContact O-N 3.09Å
370D90.6Very high86.4Confident150 Ų15080.5 Ų80.580%0.80245%0.45SS*.THydrogen-bonded Turntrans-58.1-25.9178.6-64-28000113.1D372D370-D372 VanDerWaalsContact C-N 3.34Å
371S85.6Confident85.8Confident70 Ų7082.2 Ų82.249%0.4946%0.46SS..THydrogen-bonded Turntrans-73.2-26.1177-57.70000113.3C369C369-S371 PolarHBondContact O-N 3.26Å; C369-S371 VanDerWaalsContact O-N 3.08Å
372D85.1Confident85.5Confident28 Ų2882.3 Ų82.315%0.1546%0.464CS..THydrogen-bonded Turntrans-94.7-20.3178.7-77.39.1000112.8C324 L325 C369 D370 N374C324-D372 VanDerWaalsContact CA-OD2 3.25Å; C324-D372 WeakPolarHBondContact CA-OD2 3.13Å; L325-D372 WeakPolarHBondContact CB-OD1 3.23Å; L325-D372 VanDerWaalsContact CG-OD2 3.31Å; L325-D372 WeakPolarHBondContact CG-OD2 3.44Å; L325-D372 VanDerWaalsContact N-CG 3.28Å; L325-D372 PolarHBondContact N-OD1 2.91Å; L325-D372 VanDerWaalsContact N-OD1 3.16Å; L325-D372 PolarHBondContact N-OD2 3.46Å; C369-D372 PolarHBondContact O-N 3.29Å; C369-D372 PolarHBondContact SG-OD1 3.08Å; D370-D372 VanDerWaalsContact C-N 3.34Å; D372-N374 PolarHBondContact O-N 2.88Å
373V78.2Confident85.3Confident78 Ų7884.1 Ų84.147%0.47348%0.479SS..SBendtrans-65.288.4166.4-178.80000105.1C369 V375C369-V373 PolarHBondContact O-N 3.21Å; C369-V373 VanDerWaalsContact O-N 3.09Å; V373-V375 PolarHBondContact O-N 2.85Å; V373-V375 VanDerWaalsContact O-N 3.09Å
374N64Low85.2Confident126 Ų12681.2 Ų81.267%0.67447%0.471SS*.  trans-21.8115.9-177-80.3-30.2000108.4D372 N376D372-N374 PolarHBondContact O-N 2.88Å; N374-N376 VanDerWaalsContact O-CA 3.23Å; N374-N376 WeakPolarHBondContact O-CA 3.34Å; N374-N376 PolarHBondContact O-N 2.94Å; N374-N376 PolarHBondContact O-OD1 2.87Å
375V60.4Low85.2Confident119 Ų11985.2 Ų85.272%0.72149%0.488SS*.  trans-39.8106153.5-104.60000103.1V373 N377V373-V375 PolarHBondContact O-N 2.85Å; V373-V375 VanDerWaalsContact O-N 3.09Å; V375-N377 PolarHBondContact O-N 2.99Å; V375-N377 PolarHBondContact O-OD1 2.82Å
376N60.3Low85.2Confident91 Ų9181.8 Ų81.849%0.48748%0.477SS..  trans-70.985.2-162.7-86-52.5000103.5N374 M378 V379N374-N376 VanDerWaalsContact O-CA 3.23Å; N374-N376 WeakPolarHBondContact O-CA 3.34Å; N374-N376 PolarHBondContact O-N 2.94Å; N374-N376 PolarHBondContact O-OD1 2.87Å; N376-M378 HydrophobicContact CB-CB 4.15Å; N376-M378 PolarHBondContact O-N 3.41Å; N376-V379 PolarHBondContact O-N 2.98Å
377N69.4Low85.1Confident98 Ų9882.3 Ų82.352%0.52448%0.482SS..THydrogen-bonded Turntrans-58-14.9172.3-70.2-22.6000107.5V375 V379 P380 I381V375-N377 PolarHBondContact O-N 2.99Å; V375-N377 PolarHBondContact O-OD1 2.82Å; N377-V379 PolarHBondContact O-N 2.96Å; N377-P380 VanDerWaalsContact O-CD 3.22Å; N377-P380 WeakPolarHBondContact O-CD 3.2Å; N377-P380 WeakPolarHBondContact O-CG 3.48Å; N377-I381 HydrophobicContact CB-CD1 3.86Å; N377-I381 HydrophobicContact CB-CG1 4.47Å; N377-I381 WeakPolarHBondContact O-CB 3.37Å; N377-I381 VanDerWaalsContact O-CD1 3.3Å; N377-I381 WeakPolarHBondContact O-CD1 3.4Å; N377-I381 WeakPolarHBondContact O-CG1 3.46Å; N377-I381 PolarHBondContact O-N 3.3Å
378M79.4Confident85.1Confident142 Ų14285.1 Ų85.170%0.749%0.494SS*.Hα-helixtrans-43.7-37.7161.3-160.2169.482.900114.4N376 G382N376-M378 HydrophobicContact CB-CB 4.15Å; N376-M378 PolarHBondContact O-N 3.41Å; M378-G382 WeakPolarHBondContact O-CA 3.43Å; M378-G382 PolarHBondContact O-N 3.44Å
379V84.5Confident85.2Confident98 Ų9884.9 Ų84.959%0.59450%0.496SS*.Hα-helixtrans-70.1-59.8176.8179.70000111.4N376 N377 I381 G382 V383N376-V379 PolarHBondContact O-N 2.98Å; N377-V379 PolarHBondContact O-N 2.96Å; V379-I381 VanDerWaalsContact C-N 3.3Å; V379-I381 PolarHBondContact O-N 3.34Å; V379-G382 PolarHBondContact O-N 2.95Å; V379-G382 VanDerWaalsContact O-N 3.13Å; V379-V383 WeakPolarHBondContact O-CG2 3.47Å; V379-V383 PolarHBondContact O-N 3.32Å
380P88.1Confident85.4Confident82 Ų8288.6 Ų88.653%0.53252%0.521SS..Hα-helixtrans-62.3-34.5177.221-31000113.1N377 V383 G384N377-P380 VanDerWaalsContact O-CD 3.22Å; N377-P380 WeakPolarHBondContact O-CD 3.2Å; N377-P380 WeakPolarHBondContact O-CG 3.48Å; P380-V383 PolarHBondContact O-N 2.83Å; P380-G384 PolarHBondContact O-N 2.87Å
381I86.4Confident85.7Confident102 Ų10286 Ų8652%0.52351%0.507SS..Hα-helixtrans-64-44.9173-67.1165.9000110.1N377 V379 G384 I385N377-I381 HydrophobicContact CB-CD1 3.86Å; N377-I381 HydrophobicContact CB-CG1 4.47Å; N377-I381 WeakPolarHBondContact O-CB 3.37Å; N377-I381 VanDerWaalsContact O-CD1 3.3Å; N377-I381 WeakPolarHBondContact O-CD1 3.4Å; N377-I381 WeakPolarHBondContact O-CG1 3.46Å; N377-I381 PolarHBondContact O-N 3.3Å; V379-I381 VanDerWaalsContact C-N 3.3Å; V379-I381 PolarHBondContact O-N 3.34Å; I381-G384 PolarHBondContact O-N 2.93Å; I381-I385 HydrophobicContact CG2-CD1 3.92Å; I381-I385 WeakPolarHBondContact O-CG1 3.27Å; I381-I385 PolarHBondContact O-N 2.85Å
382G90.5Very high86.3Confident37 Ų3785.6 Ų85.638%0.38150%0.501SS..Hα-helixtrans-62.6-43.9177.400000112.7M378 V379 I385 A386M378-G382 WeakPolarHBondContact O-CA 3.43Å; M378-G382 PolarHBondContact O-N 3.44Å; V379-G382 PolarHBondContact O-N 2.95Å; V379-G382 VanDerWaalsContact O-N 3.13Å; G382-I385 PolarHBondContact O-N 3.32Å; G382-A386 WeakPolarHBondContact O-CB 3.04Å; G382-A386 PolarHBondContact O-N 2.81Å
383V94.4Very high86.8Confident82 Ų8288.1 Ų88.150%0.49752%0.517SS..Hα-helixtrans-63.9-41.7174.61750000110.8V379 P380 A386 L387V379-V383 WeakPolarHBondContact O-CG2 3.47Å; V379-V383 PolarHBondContact O-N 3.32Å; P380-V383 PolarHBondContact O-N 2.83Å; V383-A386 PolarHBondContact O-N 3.24Å; V383-L387 HydrophobicContact CG1-CD1 4.35Å; V383-L387 WeakPolarHBondContact O-CG 3.39Å; V383-L387 PolarHBondContact O-N 2.99Å
384G95.1Very high87.8Confident30 Ų3087.3 Ų87.331%0.30952%0.518SS..Hα-helixtrans-58.7-48175.900000112.5P380 I381 L387 I388P380-G384 PolarHBondContact O-N 2.87Å; I381-G384 PolarHBondContact O-N 2.93Å; G384-L387 PolarHBondContact O-N 2.95Å; G384-I388 WeakPolarHBondContact O-CG1 3.31Å; G384-I388 PolarHBondContact O-N 3.42Å; G384-I388 VanDerWaalsContact O-N 3.11Å
385I95.9Very high89.4Confident100 Ų10084.7 Ų84.751%0.51350%0.504SS..Hα-helixtrans-64.1-43177.8-65.7167.2000111.1I381 G382 L387 I388 V389I381-I385 HydrophobicContact CG2-CD1 3.92Å; I381-I385 WeakPolarHBondContact O-CG1 3.27Å; I381-I385 PolarHBondContact O-N 2.85Å; G382-I385 PolarHBondContact O-N 3.32Å; I385-L387 PolarHBondContact O-N 3.35Å; I385-I388 PolarHBondContact O-N 3.18Å; I385-V389 WeakPolarHBondContact O-CG2 3.24Å; I385-V389 PolarHBondContact O-N 3.03Å
386A96.4Very high91.1Very high53 Ų5382.7 Ų82.744%0.43849%0.492SS..Hα-helixtrans-61.3-42.2178.300000112.2G382 V383 V389 C390G382-A386 WeakPolarHBondContact O-CB 3.04Å; G382-A386 PolarHBondContact O-N 2.81Å; V383-A386 PolarHBondContact O-N 3.24Å; A386-V389 PolarHBondContact O-N 2.83Å; A386-C390 WeakPolarHBondContact O-CB 3.31Å; A386-C390 PolarHBondContact O-N 3.4Å; A386-C390 PolarHBondContact O-SG 2.85Å; A386-C390 VanDerWaalsContact O-SG 3.4Å
387L97.1Very high92.8Very high105 Ų10581.7 Ų81.755%0.5549%0.489SS..Hα-helixtrans-62.9-43175.7-76.4178.8000112.2V383 G384 I385 V389 C390 I391V383-L387 HydrophobicContact CG1-CD1 4.35Å; V383-L387 WeakPolarHBondContact O-CG 3.39Å; V383-L387 PolarHBondContact O-N 2.99Å; G384-L387 PolarHBondContact O-N 2.95Å; I385-L387 PolarHBondContact O-N 3.35Å; L387-V389 VanDerWaalsContact C-N 3.35Å; L387-V389 PolarHBondContact O-N 2.94Å; L387-C390 PolarHBondContact O-N 2.82Å; L387-I391 VanDerWaalsContact O-CG1 3.24Å; L387-I391 WeakPolarHBondContact O-CG1 3.42Å; L387-I391 PolarHBondContact O-N 3.01Å
388I96.5Very high94.1Very high104 Ų10483.4 Ų83.453%0.53349%0.492SS..Hα-helixtrans-60.2-45.9176.8-67.9167.7000110.5G384 I385 I391 V392G384-I388 WeakPolarHBondContact O-CG1 3.31Å; G384-I388 PolarHBondContact O-N 3.42Å; G384-I388 VanDerWaalsContact O-N 3.11Å; I385-I388 PolarHBondContact O-N 3.18Å; I388-I391 PolarHBondContact O-N 2.85Å; I388-V392 WeakPolarHBondContact O-CG2 3.48Å; I388-V392 PolarHBondContact O-N 2.71Å
389V97.2Very high94.8Very high83 Ų8381.1 Ų81.150%0.50348%0.482SS..Hα-helixtrans-62.8-44.4177.6174.50000111.3I385 A386 L387 I391 V392 V393I385-V389 WeakPolarHBondContact O-CG2 3.24Å; I385-V389 PolarHBondContact O-N 3.03Å; A386-V389 PolarHBondContact O-N 2.83Å; L387-V389 VanDerWaalsContact C-N 3.35Å; L387-V389 PolarHBondContact O-N 2.94Å; V389-I391 VanDerWaalsContact C-N 3.33Å; V389-I391 PolarHBondContact O-N 3.28Å; V389-V392 PolarHBondContact O-N 3.2Å; V389-V393 HydrophobicContact CG1-CG2 4.42Å; V389-V393 WeakPolarHBondContact O-CG2 3.12Å; V389-V393 PolarHBondContact O-N 2.9Å
390C97.5Very high95.3Very high82 Ų8281 Ų8155%0.55448%0.481SS*.Hα-helixtrans-59.5-41.8175.9-76.50000112.4A386 L387 V393 A394A386-C390 WeakPolarHBondContact O-CB 3.31Å; A386-C390 PolarHBondContact O-N 3.4Å; A386-C390 PolarHBondContact O-SG 2.85Å; A386-C390 VanDerWaalsContact O-SG 3.4Å; L387-C390 PolarHBondContact O-N 2.82Å; C390-V393 PolarHBondContact O-N 3.44Å; C390-A394 VanDerWaalsContact O-CB 3.32Å; C390-A394 WeakPolarHBondContact O-CB 3.35Å; C390-A394 PolarHBondContact O-N 2.8Å
391I97.7Very high95.5Very high97 Ų9784 Ų8450%0.49749%0.486SS..Hα-helixtrans-64.2-46.5177-69.4164.7000110.6L387 I388 V389 V393 A394 I395L387-I391 VanDerWaalsContact O-CG1 3.24Å; L387-I391 WeakPolarHBondContact O-CG1 3.42Å; L387-I391 PolarHBondContact O-N 3.01Å; I388-I391 PolarHBondContact O-N 2.85Å; V389-I391 VanDerWaalsContact C-N 3.33Å; V389-I391 PolarHBondContact O-N 3.28Å; I391-V393 VanDerWaalsContact C-N 3.33Å; I391-V393 PolarHBondContact O-N 3.17Å; I391-A394 PolarHBondContact O-N 2.71Å; I391-I395 HydrophobicContact CG2-CD1 3.66Å; I391-I395 HydrophobicContact CG2-CG1 4.35Å; I391-I395 WeakPolarHBondContact O-CB 3.29Å; I391-I395 VanDerWaalsContact O-CG1 3.26Å; I391-I395 WeakPolarHBondContact O-CG1 3.28Å; I391-I395 PolarHBondContact O-N 3.31Å
392V97.3Very high95.8Very high61 Ų6182.4 Ų82.437%0.3748%0.478SS..Hα-helixtrans-61.1-42.2178.3171.70000111.3I388 V389 T396I388-V392 WeakPolarHBondContact O-CG2 3.48Å; I388-V392 PolarHBondContact O-N 2.71Å; V389-V392 PolarHBondContact O-N 3.2Å; V392-T396 WeakPolarHBondContact O-CB 3.28Å; V392-T396 PolarHBondContact O-N 3.46Å; V392-T396 PolarHBondContact O-OG1 3.3Å
393V97.3Very high95.8Very high81 Ų8186.4 Ų86.449%0.49149%0.485SS..Hα-helixtrans-64.8-46.6175.8172.60000111V389 C390 I391 I395 T396 V397V389-V393 HydrophobicContact CG1-CG2 4.42Å; V389-V393 WeakPolarHBondContact O-CG2 3.12Å; V389-V393 PolarHBondContact O-N 2.9Å; C390-V393 PolarHBondContact O-N 3.44Å; I391-V393 VanDerWaalsContact C-N 3.33Å; I391-V393 PolarHBondContact O-N 3.17Å; V393-I395 VanDerWaalsContact C-N 3.34Å; V393-I395 PolarHBondContact O-N 3.5Å; V393-T396 PolarHBondContact O-N 3.43Å; V393-V397 HydrophobicContact CG1-CG2 4.31Å; V393-V397 WeakPolarHBondContact O-CB 3.44Å; V393-V397 VanDerWaalsContact O-CG2 3.28Å; V393-V397 WeakPolarHBondContact O-CG2 2.85Å; V393-V397 PolarHBondContact O-N 3.26Å
394A97.7Very high95.4Very high60 Ų6092 Ų9250%0.49650%0.497SS..Hα-helixtrans-59.7-43.6178.300000112C390 I391 V397 F398C390-A394 VanDerWaalsContact O-CB 3.32Å; C390-A394 WeakPolarHBondContact O-CB 3.35Å; C390-A394 PolarHBondContact O-N 2.8Å; I391-A394 PolarHBondContact O-N 2.71Å; A394-V397 PolarHBondContact O-N 3.27Å; A394-F398 VanDerWaalsContact O-CB 3.29Å; A394-F398 WeakPolarHBondContact O-CB 3.28Å; A394-F398 PolarHBondContact O-N 3.18Å
395I97.7Very high94.9Very high71 Ų7194.9 Ų94.936%0.36451%0.506SS..Hα-helixtrans-62.7-46.5175.3-69.2169.2000110.7I391 V393 V397 F398 I399I391-I395 HydrophobicContact CG2-CD1 3.66Å; I391-I395 HydrophobicContact CG2-CG1 4.35Å; I391-I395 WeakPolarHBondContact O-CB 3.29Å; I391-I395 VanDerWaalsContact O-CG1 3.26Å; I391-I395 WeakPolarHBondContact O-CG1 3.28Å; I391-I395 PolarHBondContact O-N 3.31Å; V393-I395 VanDerWaalsContact C-N 3.34Å; V393-I395 PolarHBondContact O-N 3.5Å; I395-V397 VanDerWaalsContact C-N 3.34Å; I395-V397 PolarHBondContact O-N 3.35Å; I395-F398 PolarHBondContact O-N 3.45Å; I395-I399 HydrophobicContact CG2-CD1 3.7Å; I395-I399 HydrophobicContact CG2-CG1 4.37Å; I395-I399 VanDerWaalsContact O-CG1 3.27Å; I395-I399 WeakPolarHBondContact O-CG1 3.44Å; I395-I399 PolarHBondContact O-N 3.39Å
396T96.3Very high94.2Very high78 Ų7899.7 Ų99.748%0.47952%0.517SS..Hα-helixtrans-60.6-44.9179.9-56.50000111.2V392 V393 I399 V400V392-T396 WeakPolarHBondContact O-CB 3.28Å; V392-T396 PolarHBondContact O-N 3.46Å; V392-T396 PolarHBondContact O-OG1 3.3Å; V393-T396 PolarHBondContact O-N 3.43Å; T396-I399 PolarHBondContact O-N 3.1Å; T396-V400 WeakPolarHBondContact O-CG2 3.44Å; T396-V400 PolarHBondContact O-N 3.45Å
397V96.8Very high93.3Very high69 Ų69106 Ų10642%0.41853%0.53SS..Hα-helixtrans-63-47.4176.3171.90000110.7V393 A394 I395 I399 V400 F401V393-V397 HydrophobicContact CG1-CG2 4.31Å; V393-V397 WeakPolarHBondContact O-CB 3.44Å; V393-V397 VanDerWaalsContact O-CG2 3.28Å; V393-V397 WeakPolarHBondContact O-CG2 2.85Å; V393-V397 PolarHBondContact O-N 3.26Å; A394-V397 PolarHBondContact O-N 3.27Å; I395-V397 VanDerWaalsContact C-N 3.34Å; I395-V397 PolarHBondContact O-N 3.35Å; V397-I399 VanDerWaalsContact C-N 3.33Å; V397-I399 PolarHBondContact O-N 2.82Å; V397-V400 PolarHBondContact O-N 2.9Å; V397-V400 VanDerWaalsContact O-N 3.17Å; V397-F401 HydrophobicContact CG1-CD2 3.47Å; V397-F401 VanDerWaalsContact CG1-CD2 3.47Å; V397-F401 HydrophobicContact CG1-CE2 3.54Å; V397-F401 WeakPolarHBondContact O-CD2 3.26Å; V397-F401 PolarHBondContact O-N 2.9Å
398F96.3Very high92.2Very high134 Ų134104.9 Ų104.959%0.58853%0.531SS*.Hα-helixtrans-57.5-43.5177.3-180-104.4000112.4A394 I395 F401 N402A394-F398 VanDerWaalsContact O-CB 3.29Å; A394-F398 WeakPolarHBondContact O-CB 3.28Å; A394-F398 PolarHBondContact O-N 3.18Å; I395-F398 PolarHBondContact O-N 3.45Å; F398-F401 PolarHBondContact O-N 3.43Å; F398-N402 WeakPolarHBondContact CD1-ND2 3.28Å; F398-N402 WeakPolarHBondContact CE1-ND2 3.44Å; F398-N402 VanDerWaalsContact CE2-ND2 3.35Å; F398-N402 WeakPolarHBondContact CE2-ND2 3.28Å; F398-N402 WeakPolarHBondContact CZ-ND2 3.17Å; F398-N402 WeakPolarHBondContact O-CB 3.45Å; F398-N402 PolarHBondContact O-N 2.82Å; F398-N402 PolarHBondContact O-ND2 2.87Å
399I94.9Very high91.2Very high94 Ų94108.5 Ų108.548%0.48254%0.539SS..Hα-helixtrans-62.6-44.4176.5-68.5168.1000111I395 T396 V397 K403I395-I399 HydrophobicContact CG2-CD1 3.7Å; I395-I399 HydrophobicContact CG2-CG1 4.37Å; I395-I399 VanDerWaalsContact O-CG1 3.27Å; I395-I399 WeakPolarHBondContact O-CG1 3.44Å; I395-I399 PolarHBondContact O-N 3.39Å; T396-I399 PolarHBondContact O-N 3.1Å; V397-I399 VanDerWaalsContact C-N 3.33Å; V397-I399 PolarHBondContact O-N 2.82Å; I399-K403 WeakPolarHBondContact O-CB 3.28Å; I399-K403 PolarHBondContact O-N 3.1Å
400V93.5Very high90Very high96 Ų96110 Ų11058%0.58255%0.549SS*.Hα-helixtrans-65.7-44.3179.1172.30000111.6T396 V397 K403 R404T396-V400 WeakPolarHBondContact O-CG2 3.44Å; T396-V400 PolarHBondContact O-N 3.45Å; V397-V400 PolarHBondContact O-N 2.9Å; V397-V400 VanDerWaalsContact O-N 3.17Å; V400-K403 PolarHBondContact O-N 2.79Å; V400-R404 PolarHBondContact O-N 3.16Å
401F93.1Very high88.6Confident145 Ų145112.1 Ų112.164%0.63656%0.559SS**Hα-helixtrans-63.3-45.6177.2-90.5-79.3000112V397 F398 K403 R404 N405V397-F401 HydrophobicContact CG1-CD2 3.47Å; V397-F401 VanDerWaalsContact CG1-CD2 3.47Å; V397-F401 HydrophobicContact CG1-CE2 3.54Å; V397-F401 WeakPolarHBondContact O-CD2 3.26Å; V397-F401 PolarHBondContact O-N 2.9Å; F398-F401 PolarHBondContact O-N 3.43Å; F401-K403 VanDerWaalsContact C-N 3.31Å; F401-K403 PolarHBondContact O-N 3.21Å; F401-R404 PolarHBondContact O-N 3.36Å; F401-N405 PolarHBondContact O-N 3.25Å
402N92Very high86.7Confident68 Ų68118.6 Ų118.636%0.36459%0.594SS.*Hα-helixtrans-63.5-35.8177-79.6-26000112.6F398 R404 N405 R406F398-N402 WeakPolarHBondContact CD1-ND2 3.28Å; F398-N402 WeakPolarHBondContact CE1-ND2 3.44Å; F398-N402 VanDerWaalsContact CE2-ND2 3.35Å; F398-N402 WeakPolarHBondContact CE2-ND2 3.28Å; F398-N402 WeakPolarHBondContact CZ-ND2 3.17Å; F398-N402 WeakPolarHBondContact O-CB 3.45Å; F398-N402 PolarHBondContact O-N 2.82Å; F398-N402 PolarHBondContact O-ND2 2.87Å; N402-R404 VanDerWaalsContact C-N 3.33Å; N402-R404 PolarHBondContact O-N 3.34Å; N402-N405 PolarHBondContact O-N 3.31Å; N402-R406 PolarHBondContact O-N 2.91Å
403K90.2Very high86.2Confident121 Ų121121.5 Ų121.553%0.52661%0.605SS.*Hα-helixtrans-65.8-34.3176.2-171.3174.3-179.4175.10112.4I399 V400 F401I399-K403 WeakPolarHBondContact O-CB 3.28Å; I399-K403 PolarHBondContact O-N 3.1Å; V400-K403 PolarHBondContact O-N 2.79Å; F401-K403 VanDerWaalsContact C-N 3.31Å; F401-K403 PolarHBondContact O-N 3.21Å
404R87.6Confident85.6Confident200 Ų200123.6 Ų123.676%0.75561%0.611SS**Hα-helixtrans-69.7-41.3176.2-171.6173.9178.3165.4-1.6111.6V400 F401 N402 R406 R407V400-R404 PolarHBondContact O-N 3.16Å; F401-R404 PolarHBondContact O-N 3.36Å; N402-R404 VanDerWaalsContact C-N 3.33Å; N402-R404 PolarHBondContact O-N 3.34Å; R404-R406 VanDerWaalsContact C-N 3.29Å; R404-R406 PolarHBondContact O-N 3.12Å; R404-R407 PolarHBondContact O-N 3.01Å
405N83.6Confident85Confident91 Ų91127.2 Ų127.249%0.48762%0.617SS.*Hα-helixtrans-66.2-31.2-177.3-153.317.2000112.8F401 N402 R407 S408 Y409F401-N405 PolarHBondContact O-N 3.25Å; N402-N405 PolarHBondContact O-N 3.31Å; N405-R407 VanDerWaalsContact C-N 3.28Å; N405-R407 PolarHBondContact O-N 2.87Å; N405-S408 PolarHBondContact O-N 3.33Å; N405-Y409 WeakPolarHBondContact O-CD2 3.43Å
406R81.9Confident84.2Confident200 Ų200130.5 Ų130.576%0.75563%0.632SS**Hα-helixtrans-66.9-23.9175.8-72.2-170.9179-168.70.6114.3N402 R404 S408N402-R406 PolarHBondContact O-N 2.91Å; R404-R406 VanDerWaalsContact C-N 3.29Å; R404-R406 PolarHBondContact O-N 3.12Å; R406-S408 VanDerWaalsContact C-N 3.31Å; R406-S408 PolarHBondContact O-N 3.27Å
407R77.9Confident83.4Confident187 Ų187133.8 Ų133.871%0.70664%0.642SS**Hα-helixtrans-74.1-21.8-179.9-70.9-175.1177.3173.5-1.9113.2R404 N405 Y409R404-R407 PolarHBondContact O-N 3.01Å; N405-R407 VanDerWaalsContact C-N 3.28Å; N405-R407 PolarHBondContact O-N 2.87Å; R407-Y409 VanDerWaalsContact C-N 3.32Å; R407-Y409 PolarHBondContact O-N 3.47Å
408S73.3Confident82.6Confident81 Ų81138.1 Ų138.157%0.56666%0.657SS**THydrogen-bonded Turntrans-77.7-15-177.1-58.20000113.8N405 R406N405-S408 PolarHBondContact O-N 3.33Å; R406-S408 VanDerWaalsContact C-N 3.31Å; R406-S408 PolarHBondContact O-N 3.27Å
409Y75.8Confident81.6Confident179 Ų179138.4 Ų138.470%0.70266%0.662SS**THydrogen-bonded Turntrans-97.53.1-176.6-64.7-74.5000114.5N405 R407N405-Y409 WeakPolarHBondContact O-CD2 3.43Å; R407-Y409 VanDerWaalsContact C-N 3.32Å; R407-Y409 PolarHBondContact O-N 3.47Å
410T70.9Confident80.5Confident115 Ų115141.8 Ų141.871%0.70668%0.676SS**SBendtrans-102.517.2-178.7-340000113.5
411T68.9Low79.5Confident127 Ų127145.6 Ų145.678%0.77968%0.683SS**  trans-125.626.1-179.645.20000114.5
412L58.5Low78.2Confident233 Ų233145.6 Ų145.6100%1.2269%0.688SS**  trans-117.10161.4-91.4147.7000107.7

Retrieved 412 of 412 residues in 277.6 ms (Link to these results)