A0A3Q0KFR0_SCHMA Loading...

Large ribosomal subunit protein mL38 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KFR0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 466 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
1M36Very low34.2Very low237 Ų237151.7 Ų151.7100%1.16783%0.828SS**  01310-70.8-166-173.300107.7
2L36Very low34.2Very low161 Ų161144.9 Ų144.984%0.84382%0.819SS**  trans68.1101.7174.7-58.1165.5000115.1
3S32.3Very low34.5Very low101 Ų101143.2 Ų143.271%0.70681%0.814SS**  61.3130.58271.20000112.4
4S36.8Very low34.3Very low100 Ų100147.3 Ų147.370%0.69982%0.818SS**  cis-169.7139.519.241.90000110.7
5N36.2Very low34.4Very low160 Ų160150.5 Ų150.586%0.85682%0.821SS**  trans67.799.2145.9-58.9-9.1000122.2
6L28.4Very low34.6Very low157 Ų157149.6 Ų149.682%0.82281%0.813SS**  trans-57.1146.8144.5-69.5144.6000111.8
7I36.1Very low34.8Very low167 Ų167147.4 Ų147.486%0.85681%0.808SS**  -168116.9121.5-85.3146.4000107.6
8T29.9Very low34.9Very low127 Ų127144.6 Ų144.678%0.77980%0.796SS**  trans-87.7131.7166.846.20000109.4
9C33.6Very low35Very low117 Ų117147.5 Ų147.579%0.79179%0.794SS**  trans-157.1108.4149.9-134.50000112.8
10S35.3Very low34.9Very low92 Ų92150 Ų15064%0.64379%0.793SS**  trans7.6137.2149.9610000122.7
11R35.5Very low35Very low250 Ų250151.7 Ų151.794%0.94379%0.79SS**  trans83.4112.3131.2-76.9171.7176.3-175.6-0.6118.9
12G33.8Very low34.9Very low70 Ų70148.2 Ų148.272%0.72278%0.775SS**  117.755127.700000117.2F14G12-F14 PolarHBondContact O-N 3.37Å
13T38.2Very low34.8Very low122 Ų122148.5 Ų148.575%0.74877%0.774SS**  trans-79.1115.9162.748.10000109.9F15T13-F15 PolarHBondContact O-N 2.94Å; T13-F15 VanDerWaalsContact O-N 3.12Å
14F32.6Very low35Very low201 Ų201154.8 Ų154.888%0.88278%0.782SS**  trans-53.5109.3172.3-84.8-98.9000111.1G12 I16G12-F14 PolarHBondContact O-N 3.37Å; F14-I16 PolarHBondContact O-N 2.96Å
15F35.1Very low34.9Very low195 Ų195159.8 Ų159.886%0.85579%0.792SS**  trans-81.5104.7162.7-92.6-92.3000108.5T13 P17T13-F15 PolarHBondContact O-N 2.94Å; T13-F15 VanDerWaalsContact O-N 3.12Å; F15-P17 WeakPolarHBondContact O-CD 3.41Å
16I38.4Very low34.8Very low137 Ų137156.9 Ų156.970%0.70378%0.784SS**  trans-74.1119.2162.5-62.7165.7000106.4F14 V18F14-I16 PolarHBondContact O-N 2.96Å; I16-V18 PolarHBondContact O-N 3.18Å
17P38.3Very low35.5Very low111 Ų111159.1 Ų159.172%0.72178%0.783SS**  trans-74.898.3173.430.3-29.9000107.8F15 R19F15-P17 WeakPolarHBondContact O-CD 3.41Å; P17-R19 VanDerWaalsContact C-N 3.25Å; P17-R19 PolarHBondContact O-N 3.42Å
18V36Very low36Very low97 Ų97157.7 Ų157.759%0.58878%0.782SS**  trans-65.694162-178.30000106.3I16 Y20I16-V18 PolarHBondContact O-N 3.18Å; V18-Y20 VanDerWaalsContact C-N 3.29Å; V18-Y20 HydrophobicContact CB-CE2 4.16Å; V18-Y20 HydrophobicContact CG1-CD2 4.14Å; V18-Y20 HydrophobicContact CG1-CE1 4.5Å; V18-Y20 HydrophobicContact CG1-CE2 3.89Å; V18-Y20 VanDerWaalsContact O-CD2 3.31Å; V18-Y20 WeakPolarHBondContact O-CD2 3.35Å; V18-Y20 PolarHBondContact O-N 2.71Å
19R36.7Very low36.6Very low200 Ų200154.2 Ų154.276%0.75576%0.761SS**  trans-64.395.7166.6-85.2-173.4175-178.6-0107.5P17 Y21P17-R19 VanDerWaalsContact C-N 3.25Å; P17-R19 PolarHBondContact O-N 3.42Å; R19-Y21 HydrophobicContact CB-CE2 4.4Å; R19-Y21 PolarHBondContact O-N 2.88Å; R19-Y21 VanDerWaalsContact O-N 3.07Å
20Y32.9Very low37.2Very low198 Ų198154.3 Ų154.378%0.77676%0.76SS**  trans-63.2103.5163.8-73-86.1000108.4V18 L22V18-Y20 VanDerWaalsContact C-N 3.29Å; V18-Y20 HydrophobicContact CB-CE2 4.16Å; V18-Y20 HydrophobicContact CG1-CD2 4.14Å; V18-Y20 HydrophobicContact CG1-CE1 4.5Å; V18-Y20 HydrophobicContact CG1-CE2 3.89Å; V18-Y20 VanDerWaalsContact O-CD2 3.31Å; V18-Y20 WeakPolarHBondContact O-CD2 3.35Å; V18-Y20 PolarHBondContact O-N 2.71Å; Y20-L22 PolarHBondContact O-N 3.13Å; Y20-L22 VanDerWaalsContact O-N 3.13Å
21Y37Very low37.7Very low185 Ų185156.9 Ų156.973%0.72577%0.772SS**  trans-72.998.9161.5-66.9-79.7000107.5R19 M23R19-Y21 HydrophobicContact CB-CE2 4.4Å; R19-Y21 PolarHBondContact O-N 2.88Å; R19-Y21 VanDerWaalsContact O-N 3.07Å; Y21-M23 PolarHBondContact O-N 2.86Å
22L34.3Very low38Very low165 Ų165150 Ų15086%0.86475%0.753SS**  trans-6586.3167.5-116.9146.2000108.2Y20 R24Y20-L22 PolarHBondContact O-N 3.13Å; Y20-L22 VanDerWaalsContact O-N 3.13Å; L22-R24 PolarHBondContact O-N 2.77Å
23M32.9Very low38.5Very low167 Ų167154.9 Ų154.982%0.82376%0.757SS**  trans-66.8108.7164.9-77.9-72-167.200107.6Y21 K25Y21-M23 PolarHBondContact O-N 2.86Å; M23-K25 PolarHBondContact O-N 2.73Å
24R37.5Very low38.7Very low233 Ų233155.8 Ų155.888%0.87977%0.765SS**  trans-60.4100.8165.6-89.3-173.5173.3-168.5-0.5108.5L22 S26L22-R24 PolarHBondContact O-N 2.77Å; R24-S26 PolarHBondContact O-N 3.45Å
25K34.3Very low39.4Very low205 Ų205149.7 Ų149.789%0.89176%0.759SS**  trans-75.798.8160.4-81.6-178.6172-179.50108.5M23M23-K25 PolarHBondContact O-N 2.73Å
26S33.5Very low39.7Very low99 Ų99146 Ų14669%0.69275%0.752SS**  trans-168.983161.154.40000111R24R24-S26 PolarHBondContact O-N 3.45Å
27Y44.2Very low40Very low203 Ų203149.1 Ų149.180%0.79676%0.757SS**  trans171.1117.1138.2-165.1-109.5000108.7P29Y27-P29 HydrophobicContact CD1-CB 4.48Å; Y27-P29 HydrophobicContact CD1-CG 4.35Å; Y27-P29 HydrophobicContact CE1-CB 3.81Å; Y27-P29 HydrophobicContact CE1-CG 4.07Å
28V47.4Very low40.4Very low138 Ų138148.1 Ų148.184%0.83675%0.75SS**  trans-123.4105.9169.1179.80000106
29P42.5Very low41.1Very low54 Ų54150 Ų15035%0.35175%0.752SS.*  trans-74.5148.6175.329.1-30000110.2Y27 L32Y27-P29 HydrophobicContact CD1-CB 4.48Å; Y27-P29 HydrophobicContact CD1-CG 4.35Å; Y27-P29 HydrophobicContact CE1-CB 3.81Å; Y27-P29 HydrophobicContact CE1-CG 4.07Å; P29-L32 HydrophobicContact CG-CD1 3.91Å
30P44.3Very low41.7Very low118 Ų118145.7 Ų145.777%0.76675%0.75SS**SBendtrans-78132-179.532.3-31.2000110.2
31V45.9Very low42.5Very low146 Ų146145.3 Ų145.389%0.88575%0.752SS**  trans60.790.8166.8-163.30000115.4
32L43Very low43.3Very low105 Ų105147.6 Ų147.655%0.5576%0.76SS.*  trans-110.9127.7164.4-90.2142.2000108.6P29 P38P29-L32 HydrophobicContact CG-CD1 3.91Å; L32-P38 HydrophobicContact CD2-CG 4.35Å
33E42.9Very low44.4Very low174 Ų174147.4 Ų147.481%0.81376%0.755SS**  trans-59.6141.5171.9-71.1-175.4158.100110.7G35E33-G35 PolarHBondContact O-N 2.91Å
34P43.3Very low45.7Very low140 Ų140143 Ų14391%0.90974%0.737SS**THydrogen-bonded Turntrans-70.499.7-179.427.6-31.5000110.3
35G47.2Very low47.1Very low74 Ų74136 Ų13676%0.76372%0.722SS**THydrogen-bonded Turntrans165.2-21.5170.700000116.8E33E33-G35 PolarHBondContact O-N 2.91Å
36V41.2Very low48.8Very low118 Ų118133.6 Ų133.672%0.71571%0.714SS**  trans-127.794.9-174.5-171.40000110.2P38V36-P38 WeakPolarHBondContact O-CD 3.31Å
37Y45.4Very low50.3Low201 Ų201132.8 Ų132.879%0.78871%0.707SS**  trans-69.7123.2169-93.4-87.5000109.9H39Y37-H39 VanDerWaalsContact C-N 3.3Å; Y37-H39 AromaticContact CD1-CD2 3.9Å; Y37-H39 PolarHBondContact O-N 3.07Å
38P47Very low51.5Low90 Ų90124.4 Ų124.458%0.58468%0.683SS**  trans-95.428.7177.939.3-33.7000111.8L32 V36L32-P38 HydrophobicContact CD2-CG 4.35Å; V36-P38 WeakPolarHBondContact O-CD 3.31Å
39H48.8Very low52.8Low137 Ų137126 Ų12663%0.63467%0.673SS**SBendtrans-80.5127.7164.2-69.3-49.2000107.2Y37 K41Y37-H39 VanDerWaalsContact C-N 3.3Å; Y37-H39 AromaticContact CD1-CD2 3.9Å; Y37-H39 PolarHBondContact O-N 3.07Å; H39-K41 VanDerWaalsContact C-N 3.25Å; H39-K41 PolarHBondContact O-N 2.94Å
40P49.8Very low54.5Low110 Ų110126.4 Ų126.471%0.71467%0.67SS**  trans-57.2105.4158.925-28.9000104.4R42P40-R42 PolarHBondContact O-N 3.17Å
41K49.5Very low56.5Low189 Ų189124.3 Ų124.382%0.82266%0.655SS**  trans-42.9115.4167.2-73.2-180178.8177.60103.5H39 Q43H39-K41 VanDerWaalsContact C-N 3.25Å; H39-K41 PolarHBondContact O-N 2.94Å; K41-Q43 VanDerWaalsContact C-N 3.32Å; K41-Q43 WeakPolarHBondContact O-CA 3.34Å; K41-Q43 PolarHBondContact O-N 3.32Å
42R54.1Low58.3Low234 Ų234124.8 Ų124.888%0.88365%0.645SS**  trans-36.7106.5178-89.7179.2168.9172.2-3.5105.4P40 V44P40-R42 PolarHBondContact O-N 3.17Å; R42-V44 PolarHBondContact O-N 2.71Å
43Q57.8Low60.4Low161 Ų161128.1 Ų128.175%0.75266%0.655SS**  trans-65.4103.2-170.6-76.4-176.8-5.600103.4K41 P45K41-Q43 VanDerWaalsContact C-N 3.32Å; K41-Q43 WeakPolarHBondContact O-CA 3.34Å; K41-Q43 PolarHBondContact O-N 3.32Å; Q43-P45 WeakPolarHBondContact O-CD 3.35Å
44V60.9Low62.4Low74 Ų74124.1 Ų124.145%0.44864%0.637SS.*  trans-60.3119.8175.9-172.60000103R42 G48 R49R42-V44 PolarHBondContact O-N 2.71Å; V44-G48 VanDerWaalsContact CG1-CA 3.49Å; V44-G48 WeakPolarHBondContact CG1-O 3.42Å; V44-R49 HydrophobicContact CB-CG 4.2Å; V44-R49 PolarHBondContact O-NE 3.07Å
45P66.9Low64.2Low86 Ų86122.5 Ų122.556%0.55861%0.612SS**  trans-51.6148.117821-31.4000107.7Q43 C47 G48 R49Q43-P45 WeakPolarHBondContact O-CD 3.35Å; P45-C47 PolarHBondContact O-N 2.99Å; P45-G48 WeakPolarHBondContact O-CA 3.44Å; P45-G48 PolarHBondContact O-N 3.31Å; P45-R49 PolarHBondContact O-N 2.98Å
46E69.4Low66Low155 Ų155123.1 Ų123.172%0.72460%0.597SS**Hα-helixtrans-51.2-33.6-171.2-72.5-179.7154.300112.7G48 R49E46-G48 VanDerWaalsContact C-N 3.29Å; E46-G48 PolarHBondContact O-N 2.89Å; E46-R49 PolarHBondContact O-N 3.12Å; E46-R49 VanDerWaalsContact O-N 3.17Å
47C64.5Low67.9Low81 Ų81124.5 Ų124.555%0.54759%0.594SS.*Hα-helixtrans-60.5-30.1173.260.90000114.9P45 R55P45-C47 PolarHBondContact O-N 2.99Å; C47-R55 WeakPolarHBondContact O-CD 3.37Å; C47-R55 PolarHBondContact O-NE 3.03Å
48G69Low69.5Low28 Ų28119.3 Ų119.329%0.28958%0.577SS.*Hα-helixtrans-89.5-13.1176.400000114.3V44 P45 E46 K50V44-G48 VanDerWaalsContact CG1-CA 3.49Å; V44-G48 WeakPolarHBondContact CG1-O 3.42Å; P45-G48 WeakPolarHBondContact O-CA 3.44Å; P45-G48 PolarHBondContact O-N 3.31Å; E46-G48 VanDerWaalsContact C-N 3.29Å; E46-G48 PolarHBondContact O-N 2.89Å; G48-K50 VanDerWaalsContact C-N 3.31Å
49R75.5Confident71Confident170 Ų170122.4 Ų122.464%0.64259%0.587SS**Hα-helixtrans-72-30170.8-65.6-174.5-177.3-173.80.2111.6V44 P45 E46V44-R49 HydrophobicContact CB-CG 4.2Å; V44-R49 PolarHBondContact O-NE 3.07Å; P45-R49 PolarHBondContact O-N 2.98Å; E46-R49 PolarHBondContact O-N 3.12Å; E46-R49 VanDerWaalsContact O-N 3.17Å
50K78.1Confident72.5Confident64 Ų64119.2 Ų119.228%0.27859%0.585SS.*SBendtrans-66.2133.8179-62.4-177.5-165.4179.60110.9G48 E54 R55 E58G48-K50 VanDerWaalsContact C-N 3.31Å; K50-E54 WeakPolarHBondContact CA-OE2 3.46Å; K50-E54 HydrophobicContact CB-CB 4.02Å; K50-E54 WeakPolarHBondContact CB-OE2 3.4Å; K50-R55 HydrophobicContact CB-CG 3.89Å; K50-R55 PolarHBondContact O-NE 3.37Å; K50-R55 PolarHBondContact O-NH2 3.24Å; K50-E58 WeakPolarHBondContact CD-OE1 3.33Å; K50-E58 WeakPolarHBondContact CD-OE2 3.45Å; K50-E58 WeakPolarHBondContact CE-OE1 3.47Å; K50-E58 IonicContact NZ-OE1 3.17Å; K50-E58 PolarHBondContact NZ-OE1 3.41Å; K50-E58 IonicContact NZ-OE2 3.69Å; K50-E58 PolarHBondContact NZ-OE2 3.08Å
51T86.4Confident73.3Confident73 Ų73117.9 Ų117.945%0.44857%0.57SS.*  trans-61.1157.517363.20000109.9K53 E54 R55T51-K53 PolarHBondContact O-N 2.77Å; T51-E54 PolarHBondContact N-OE2 3.03Å; T51-E54 PolarHBondContact O-N 2.61Å; T51-E54 VanDerWaalsContact O-N 3.14Å; T51-E54 WeakPolarHBondContact OG1-CG 3.44Å; T51-E54 PolarHBondContact OG1-N 2.56Å; T51-E54 PolarHBondContact OG1-OE1 3.06Å; T51-R55 PolarHBondContact O-N 3.27Å
52F83.4Confident74.3Confident156 Ų156115.3 Ų115.368%0.68456%0.559SS**Hα-helixtrans-56.1-35177.6179.5-107.7000112R55 I56F52-R55 PolarHBondContact O-N 3.43Å; F52-I56 HydrophobicContact CD1-CD1 3.82Å; F52-I56 HydrophobicContact CE1-CD1 3.22Å; F52-I56 HydrophobicContact CE1-CG1 4.21Å; F52-I56 HydrophobicContact CE2-CD1 4.15Å; F52-I56 HydrophobicContact CE2-CG1 4.41Å; F52-I56 HydrophobicContact CZ-CD1 3.42Å; F52-I56 VanDerWaalsContact CZ-CD1 3.42Å; F52-I56 HydrophobicContact CZ-CG1 4.15Å; F52-I56 PolarHBondContact O-N 3.36Å
53K87.3Confident74.6Confident176 Ų176110.2 Ų110.277%0.76556%0.556SS**Hα-helixtrans-62.9-47.4175.9-174.9179.9178.7-177.20112.1T51 R55 I56 K57T51-K53 PolarHBondContact O-N 2.77Å; K53-R55 VanDerWaalsContact C-N 3.34Å; K53-R55 PolarHBondContact O-N 3.12Å; K53-I56 PolarHBondContact O-N 3.28Å; K53-K57 PolarHBondContact O-N 3.32Å
54E85.8Confident74.9Confident90 Ų90109.7 Ų109.742%0.42156%0.558SS.*Hα-helixtrans-61.5-42.3176.3-75.5151.2-13800111.6K50 T51 K57 E58K50-E54 WeakPolarHBondContact CA-OE2 3.46Å; K50-E54 HydrophobicContact CB-CB 4.02Å; K50-E54 WeakPolarHBondContact CB-OE2 3.4Å; T51-E54 PolarHBondContact N-OE2 3.03Å; T51-E54 PolarHBondContact O-N 2.61Å; T51-E54 VanDerWaalsContact O-N 3.14Å; T51-E54 WeakPolarHBondContact OG1-CG 3.44Å; T51-E54 PolarHBondContact OG1-N 2.56Å; T51-E54 PolarHBondContact OG1-OE1 3.06Å; E54-K57 WeakPolarHBondContact O-CB 3.18Å; E54-K57 PolarHBondContact O-N 3Å; E54-K57 VanDerWaalsContact O-N 3.17Å; E54-E58 PolarHBondContact O-N 3.29Å
55R81.3Confident75.1Confident106 Ų106109.1 Ų109.140%0.455%0.553SS.*Hα-helixtrans-64-41.9177.8-78.5-174.6-103.4165.7-10.1113.3C47 K50 T51 F52 K53 K57 E58 L59C47-R55 WeakPolarHBondContact O-CD 3.37Å; C47-R55 PolarHBondContact O-NE 3.03Å; K50-R55 HydrophobicContact CB-CG 3.89Å; K50-R55 PolarHBondContact O-NE 3.37Å; K50-R55 PolarHBondContact O-NH2 3.24Å; T51-R55 PolarHBondContact O-N 3.27Å; F52-R55 PolarHBondContact O-N 3.43Å; K53-R55 VanDerWaalsContact C-N 3.34Å; K53-R55 PolarHBondContact O-N 3.12Å; R55-K57 VanDerWaalsContact C-N 3.29Å; R55-E58 PolarHBondContact O-N 3.41Å; R55-L59 WeakPolarHBondContact O-CG 3.41Å; R55-L59 PolarHBondContact O-N 2.85Å
56I84.1Confident75Confident86 Ų86110.2 Ų110.244%0.44155%0.553SS.*Hα-helixtrans-62.1-41.5173.3-73.2178.4000110.4F52 K53 E58 L59 A60F52-I56 HydrophobicContact CD1-CD1 3.82Å; F52-I56 HydrophobicContact CE1-CD1 3.22Å; F52-I56 HydrophobicContact CE1-CG1 4.21Å; F52-I56 HydrophobicContact CE2-CD1 4.15Å; F52-I56 HydrophobicContact CE2-CG1 4.41Å; F52-I56 HydrophobicContact CZ-CD1 3.42Å; F52-I56 VanDerWaalsContact CZ-CD1 3.42Å; F52-I56 HydrophobicContact CZ-CG1 4.15Å; F52-I56 PolarHBondContact O-N 3.36Å; K53-I56 PolarHBondContact O-N 3.28Å; I56-E58 VanDerWaalsContact C-N 3.34Å; I56-E58 PolarHBondContact O-N 3.25Å; I56-L59 PolarHBondContact O-N 3.19Å; I56-A60 VanDerWaalsContact O-CB 3.29Å; I56-A60 WeakPolarHBondContact O-CB 3.35Å; I56-A60 PolarHBondContact O-N 3.05Å
57K81.2Confident74.8Confident148 Ų148107.3 Ų107.364%0.64355%0.55SS**Hα-helixtrans-60.4-44.9179.1-166.9-178.5178.7-171.50111.2K53 E54 R55 A60 M61K53-K57 PolarHBondContact O-N 3.32Å; E54-K57 WeakPolarHBondContact O-CB 3.18Å; E54-K57 PolarHBondContact O-N 3Å; E54-K57 VanDerWaalsContact O-N 3.17Å; R55-K57 VanDerWaalsContact C-N 3.29Å; K57-A60 PolarHBondContact O-N 3.14Å; K57-M61 WeakPolarHBondContact O-CG 3.37Å; K57-M61 PolarHBondContact O-N 3.4Å; K57-M61 VanDerWaalsContact O-N 3.1Å
58E79.1Confident74.7Confident92 Ų92105.3 Ų105.343%0.4354%0.537SS..Hα-helixtrans-64.3-41176.2-73.6-177.3170.500113.1K50 E54 R55 I56 A60 M61K50-E58 WeakPolarHBondContact CD-OE1 3.33Å; K50-E58 WeakPolarHBondContact CD-OE2 3.45Å; K50-E58 WeakPolarHBondContact CE-OE1 3.47Å; K50-E58 IonicContact NZ-OE1 3.17Å; K50-E58 PolarHBondContact NZ-OE1 3.41Å; K50-E58 IonicContact NZ-OE2 3.69Å; K50-E58 PolarHBondContact NZ-OE2 3.08Å; E54-E58 PolarHBondContact O-N 3.29Å; R55-E58 PolarHBondContact O-N 3.41Å; I56-E58 VanDerWaalsContact C-N 3.34Å; I56-E58 PolarHBondContact O-N 3.25Å; E58-A60 VanDerWaalsContact C-N 3.27Å; E58-A60 PolarHBondContact O-N 3.34Å; E58-M61 PolarHBondContact O-N 3.37Å
59L79Confident74.7Confident155 Ų155108.9 Ų108.981%0.81255%0.549SS*.Hα-helixtrans-68.2-28.5176.6-72.1171.6000112.8R55 I56R55-L59 WeakPolarHBondContact O-CG 3.41Å; R55-L59 PolarHBondContact O-N 2.85Å; I56-L59 PolarHBondContact O-N 3.19Å
60A79.3Confident74.8Confident70 Ų70109.3 Ų109.358%0.57956%0.558SS**Hα-helixtrans-82.3-16.9177.900000113.2I56 K57 E58 K62I56-A60 VanDerWaalsContact O-CB 3.29Å; I56-A60 WeakPolarHBondContact O-CB 3.35Å; I56-A60 PolarHBondContact O-N 3.05Å; K57-A60 PolarHBondContact O-N 3.14Å; E58-A60 VanDerWaalsContact C-N 3.27Å; E58-A60 PolarHBondContact O-N 3.34Å; A60-K62 PolarHBondContact O-N 3.49Å; A60-K62 VanDerWaalsContact O-N 3.14Å
61M67.1Low75.1Confident82 Ų82110.2 Ų110.240%0.40457%0.573SS.*  trans-66.5110.9176.6-79.6161.5118.200109.5K57 E58 S68K57-M61 WeakPolarHBondContact O-CG 3.37Å; K57-M61 PolarHBondContact O-N 3.4Å; K57-M61 VanDerWaalsContact O-N 3.1Å; E58-M61 PolarHBondContact O-N 3.37Å; M61-S68 VanDerWaalsContact CE-CB 3.44Å; M61-S68 VanDerWaalsContact CE-O 3.28Å; M61-S68 WeakPolarHBondContact CE-O 3.31Å
62K69.2Low75.3Confident134 Ų134110.2 Ų110.258%0.58357%0.573SS**  trans-72.1141.7166.6-60.7178.8-173.7165.80108.1A60 N64 D65A60-K62 PolarHBondContact O-N 3.49Å; A60-K62 VanDerWaalsContact O-N 3.14Å; K62-N64 PolarHBondContact O-N 3.4Å; K62-D65 HydrophobicContact CB-CB 4.34Å; K62-D65 WeakPolarHBondContact CB-OD2 3.42Å; K62-D65 WeakPolarHBondContact CD-OD2 3.41Å; K62-D65 PolarHBondContact O-N 3.17Å; K62-D65 VanDerWaalsContact O-N 3.12Å
63P61.6Low75.8Confident127 Ų127107.2 Ų107.283%0.82556%0.564SS**THydrogen-bonded Turntrans-60.3-14.6-171.321.2-32.4000115
64N64Low76.1Confident150 Ų15099.8 Ų99.880%0.80253%0.532SS*.THydrogen-bonded Turntrans-124.713.3-178.5-66.2-3.8000113.5K62 L66K62-N64 PolarHBondContact O-N 3.4Å; N64-L66 PolarHBondContact O-N 2.78Å
65D66Low76.5Confident63 Ų6396.3 Ų96.334%0.33752%0.52SS..  trans-75.9116.8176.8-84.3-13.3000109.5K62 S67 S68K62-D65 HydrophobicContact CB-CB 4.34Å; K62-D65 WeakPolarHBondContact CB-OD2 3.42Å; K62-D65 WeakPolarHBondContact CD-OD2 3.41Å; K62-D65 PolarHBondContact O-N 3.17Å; K62-D65 VanDerWaalsContact O-N 3.12Å; D65-S67 PolarHBondContact O-N 3.47Å; D65-S67 VanDerWaalsContact O-N 3.08Å; D65-S68 VanDerWaalsContact O-CB 3.23Å; D65-S68 WeakPolarHBondContact O-CB 3.38Å; D65-S68 PolarHBondContact O-N 2.79Å; D65-S68 PolarHBondContact O-OG 3.14Å
66L64.6Low77.1Confident108 Ų10891.8 Ų91.857%0.56550%0.504SS*.G310 helixtrans-55-27.7179.5-73.7164.5000113.6N64 S68 L69 P137N64-L66 PolarHBondContact O-N 2.78Å; L66-S68 PolarHBondContact O-N 3.14Å; L66-L69 HydrophobicContact CD2-CD1 3.97Å; L66-L69 PolarHBondContact O-N 3.06Å; L66-P137 HydrophobicContact CB-CG 4.13Å
67S64.9Low77.5Confident95 Ų9593.3 Ų93.366%0.66452%0.519SS*.G310 helixtrans-68.3-10.1176.659.10000114.6D65D65-S67 PolarHBondContact O-N 3.47Å; D65-S67 VanDerWaalsContact O-N 3.08Å
68S61.4Low77.9Confident39 Ų3988.2 Ų88.227%0.27350%0.496SS..G310 helixtrans-89.5-14.8179.7740000113.5M61 D65 L66M61-S68 VanDerWaalsContact CE-CB 3.44Å; M61-S68 VanDerWaalsContact CE-O 3.28Å; M61-S68 WeakPolarHBondContact CE-O 3.31Å; D65-S68 VanDerWaalsContact O-CB 3.23Å; D65-S68 WeakPolarHBondContact O-CB 3.38Å; D65-S68 PolarHBondContact O-N 2.79Å; D65-S68 PolarHBondContact O-OG 3.14Å; L66-S68 PolarHBondContact O-N 3.14Å
69L69.7Low78.2Confident102 Ų10289.7 Ų89.753%0.53451%0.512SS..SBendtrans-75.5151.2-178.4-65.8167.6000111.6L66 P138L66-L69 HydrophobicContact CD2-CD1 3.97Å; L66-L69 PolarHBondContact O-N 3.06Å; L69-P138 HydrophobicContact CB-CB 3.99Å; L69-P138 HydrophobicContact CB-CG 3.92Å; L69-P138 HydrophobicContact CD1-CG 4.32Å
70E77.9Confident78.4Confident179 Ų17989.3 Ų89.384%0.83650%0.504SS*.PPolyproline II helixtrans-63.2141171.4-68.1-175.7167.500110.1V72 P138E70-V72 PolarHBondContact O-N 3.38Å; E70-P138 WeakPolarHBondContact O-CB 3.22Å
71S84.5Confident78.5Confident84 Ų8488.6 Ų88.659%0.58749%0.493SS*.PPolyproline II helixtrans-63.3128-179.750.90000111.1P138S71-P138 CarbonylContact C-O 3.52Å; S71-P138 VanDerWaalsContact CA-O 3.24Å; S71-P138 WeakPolarHBondContact CA-O 3.47Å
72V90.3Very high79.1Confident73 Ų7394.1 Ų94.144%0.44252%0.515SS..EExtended strand (participates in β ladder)trans-99.1124.4177.2176.80000108.6E70 I74 P138 I140E70-V72 PolarHBondContact O-N 3.38Å; V72-I74 HydrophobicContact CG1-CG2 4.3Å; V72-P138 HydrophobicContact CG2-CG 4.24Å; V72-P138 PolarHBondContact N-O 3.32Å; V72-I140 PolarHBondContact O-N 3Å; V72-I140 VanDerWaalsContact O-O 3.11Å
73D92.9Very high79.3Confident92 Ų9297.1 Ų97.149%0.49253%0.531SS..EExtended strand (participates in β ladder)trans-81.3113.9173.9-167-4.5000110.1G75 I140 F141D73-G75 PolarHBondContact OD1-N 2.99Å; D73-I140 CarbonylContact C-O 3.57Å; D73-I140 VanDerWaalsContact CA-O 3.22Å; D73-I140 WeakPolarHBondContact CA-O 3.47Å; D73-F141 WeakPolarHBondContact OD1-CA 3.39Å
74I94.4Very high79.5Confident20 Ų2095.9 Ų95.910%0.10353%0.525CS..  trans-99.25.5178.161.7170.5000112.4V72 F135 H139 I140 F141 Y305 P314V72-I74 HydrophobicContact CG1-CG2 4.3Å; I74-F135 HydrophobicContact CD1-CB 4.48Å; I74-F135 HydrophobicContact CD1-CD1 3.72Å; I74-F135 HydrophobicContact CD1-CD2 4.31Å; I74-F135 HydrophobicContact CD1-CE1 3.97Å; I74-F135 HydrophobicContact CD1-CG 3.9Å; I74-F135 HydrophobicContact CD1-CZ 4.38Å; I74-H139 HydrophobicContact CD1-CB 4.21Å; I74-H139 HydrophobicContact CG2-CB 4.32Å; I74-I140 WeakPolarHBondContact CG1-O 3.21Å; I74-I140 PolarHBondContact N-O 3.07Å; I74-F141 HydrophobicContact CG1-CB 4.02Å; I74-F141 HydrophobicContact CG1-CD1 4.44Å; I74-Y305 HydrophobicContact CB-CE1 4.27Å; I74-Y305 HydrophobicContact CD1-CD1 4.33Å; I74-Y305 HydrophobicContact CD1-CE1 3.81Å; I74-Y305 HydrophobicContact CG2-CE1 4.46Å; I74-P314 HydrophobicContact CD1-CG 4.11Å; I74-P314 HydrophobicContact CG1-CG 4Å; I74-P314 WeakPolarHBondContact O-CD 3.34Å; I74-P314 WeakPolarHBondContact O-CG 3.2Å
75G94Very high79.7Confident17 Ų1795.3 Ų95.318%0.17553%0.527CS..SBendtrans-89.3-176.3-174.100000115.8D73D73-G75 PolarHBondContact OD1-N 2.99Å
76L93.3Very high79.8Confident12 Ų1299.6 Ų99.66%0.06355%0.549CS..PPolyproline II helixtrans-63.2144.6164.4-61.1-175.6000111Y78 V144 V145 R272 T313 A315L76-Y78 PolarHBondContact O-N 3.03Å; L76-Y78 VanDerWaalsContact O-N 3.14Å; L76-V144 HydrophobicContact CB-CG2 4.25Å; L76-V145 HydrophobicContact CD1-CG2 4.14Å; L76-R272 VanDerWaalsContact CD2-NH1 3.34Å; L76-R272 VanDerWaalsContact CD2-NH2 3.26Å; L76-T313 HydrophobicContact CD2-CG2 3.68Å; L76-T313 HydrophobicContact CG-CG2 4.31Å; L76-A315 HydrophobicContact CD1-CB 3.53Å; L76-A315 HydrophobicContact CG-CB 4.04Å
77P92.5Very high80.3Confident117 Ų117101.8 Ų101.876%0.7656%0.56SS**PPolyproline II helixtrans-60.6121.317825.1-33.9000110.6
78Y89.7Confident80.9Confident41 Ų41106.4 Ų106.416%0.16157%0.568CS.*PPolyproline II helixtrans-100.3128.7176.9178.8-112.1000111.1L76 F80 P81 N115 P118 V119 V142 V144L76-Y78 PolarHBondContact O-N 3.03Å; L76-Y78 VanDerWaalsContact O-N 3.14Å; Y78-F80 HydrophobicContact CD1-CD1 4.36Å; Y78-F80 HydrophobicContact CD1-CE1 4.23Å; Y78-F80 HydrophobicContact CD1-CE2 4.42Å; Y78-F80 HydrophobicContact CD1-CZ 4.25Å; Y78-F80 AromaticContact CE1-CD1 3.64Å; Y78-F80 HydrophobicContact CE1-CD1 3.64Å; Y78-F80 AromaticContact CE1-CE1 3.71Å; Y78-F80 HydrophobicContact CE1-CE1 3.71Å; Y78-F80 HydrophobicContact CE1-CG 4.09Å; Y78-F80 HydrophobicContact CE1-CZ 4.2Å; Y78-P81 WeakPolarHBondContact OH-CD 3.48Å; Y78-N115 PolarHBondContact OH-O 2.95Å; Y78-N115 VanDerWaalsContact OH-O 3.06Å; Y78-P118 HydrophobicContact CD2-CB 4.32Å; Y78-P118 HydrophobicContact CE2-CB 3.88Å; Y78-P118 HydrophobicContact CE2-CG 3.88Å; Y78-V119 HydrophobicContact CE1-CG2 3.59Å; Y78-V142 HydrophobicContact CD1-CG1 4.13Å; Y78-V142 HydrophobicContact CD2-CG1 4.11Å; Y78-V142 HydrophobicContact CG-CB 4.4Å; Y78-V142 HydrophobicContact CG-CG1 3.81Å; Y78-V144 HydrophobicContact CD2-CG2 4.06Å; Y78-V144 HydrophobicContact CG-CG2 4.47Å
79V86.9Confident82Confident124 Ų124113.5 Ų113.575%0.75259%0.589SS**  trans-104.4120.4174.9-177.40000108.3
80F82.9Confident82.8Confident147 Ų147114.6 Ų114.665%0.64560%0.595SS**PPolyproline II helixtrans-61.5134.4175.7-70.8-82.7000110.7Y78 K82 V119Y78-F80 HydrophobicContact CD1-CD1 4.36Å; Y78-F80 HydrophobicContact CD1-CE1 4.23Å; Y78-F80 HydrophobicContact CD1-CE2 4.42Å; Y78-F80 HydrophobicContact CD1-CZ 4.25Å; Y78-F80 AromaticContact CE1-CD1 3.64Å; Y78-F80 HydrophobicContact CE1-CD1 3.64Å; Y78-F80 AromaticContact CE1-CE1 3.71Å; Y78-F80 HydrophobicContact CE1-CE1 3.71Å; Y78-F80 HydrophobicContact CE1-CG 4.09Å; Y78-F80 HydrophobicContact CE1-CZ 4.2Å; F80-K82 PolarHBondContact O-N 3.39Å; F80-V119 HydrophobicContact CE1-CG2 4.04Å
81P81.3Confident83.2Confident54 Ų54112.6 Ų112.635%0.35159%0.59SS.*PPolyproline II helixtrans-60.4136.1176.225.1-33.1000109.8Y78 N115Y78-P81 WeakPolarHBondContact OH-CD 3.48Å; P81-N115 HydrophobicContact CB-CB 3.72Å; P81-N115 HydrophobicContact CG-CB 3.77Å
82K79.4Confident83.5Confident198 Ų198111.7 Ų111.786%0.86158%0.578SS**PPolyproline II helixtrans-72.9137.5171.5-66180-178.4176.10108.3F80 S84F80-K82 PolarHBondContact O-N 3.39Å; K82-S84 PolarHBondContact O-N 3.01Å
83E72.5Confident83.5Confident198 Ų198112.3 Ų112.393%0.92558%0.576SS**  trans-53.9115.9173.1-69-176.6172.900109.4
84S67.7Low83.5Confident100 Ų100111 Ų11170%0.69957%0.573SS**  trans-80129.4176.1580000109K82 I86K82-S84 PolarHBondContact O-N 3.01Å; S84-I86 PolarHBondContact O-N 2.95Å
85T66.5Low83.4Confident138 Ų138114.2 Ų114.285%0.84759%0.587SS**  trans-69.1100.6172.748.90000108.6L87T85-L87 PolarHBondContact O-N 3.36Å; T85-L87 VanDerWaalsContact O-N 3.12Å
86I68.5Low83.3Confident154 Ų154115.9 Ų115.979%0.7960%0.599SS**  trans-61.9115.1180-57.9171.7000109S84 K88S84-I86 PolarHBondContact O-N 2.95Å; I86-K88 PolarHBondContact O-N 2.94Å
87L74.5Confident83.3Confident154 Ų154124.2 Ų124.281%0.80663%0.63SS**  trans-65.4125.3171.4-77.7165.1000109.3T85 R89T85-L87 PolarHBondContact O-N 3.36Å; T85-L87 VanDerWaalsContact O-N 3.12Å; L87-R89 PolarHBondContact O-N 3Å
88K78.8Confident83.5Confident192 Ų192126.4 Ų126.484%0.83563%0.627SS**  trans-63.7109.6177.5-69.1-178.8179.8178.80109.8I86 L90I86-K88 PolarHBondContact O-N 2.94Å; K88-L90 PolarHBondContact O-N 3.3Å
89R83.5Confident83.6Confident188 Ų188135.6 Ų135.671%0.70966%0.662SS**  trans-87.797.1172.6-68.2-177.5-180166.60.6109.6L87 D91 L92L87-R89 PolarHBondContact O-N 3Å; R89-D91 PolarHBondContact O-N 3.46Å; R89-L92 HydrophobicContact CB-CD1 3.98Å; R89-L92 HydrophobicContact CB-CG 4.08Å; R89-L92 PolarHBondContact O-N 3.41Å
90L86.7Confident84Confident125 Ų125133.7 Ų133.765%0.65465%0.651SS**G310 helixtrans-60-29.5-179.3-65.6173.3000112.4K88 L92 E93 P94K88-L90 PolarHBondContact O-N 3.3Å; L90-L92 VanDerWaalsContact C-N 3.27Å; L90-L92 PolarHBondContact O-N 3.27Å; L90-E93 WeakPolarHBondContact O-CB 3.44Å; L90-E93 PolarHBondContact O-N 2.91Å; L90-P94 VanDerWaalsContact O-CD 3.31Å; L90-P94 WeakPolarHBondContact O-CD 3.14Å
91D87.3Confident84.4Confident136 Ų136130 Ų13073%0.72764%0.637SS**G310 helixtrans-67.3-27.3-177.6-49.1-32.2000113.3R89 P94R89-D91 PolarHBondContact O-N 3.46Å; D91-P94 WeakPolarHBondContact O-CD 3.32Å; D91-P94 WeakPolarHBondContact O-CG 3.49Å
92L89.6Confident84.9Confident65 Ų65135.9 Ų135.934%0.3466%0.66SS.*G310 helixtrans-86.7-19.6-179.2-59-178.7000112.5R89 L90 Q95 A96 L101R89-L92 HydrophobicContact CB-CD1 3.98Å; R89-L92 HydrophobicContact CB-CG 4.08Å; R89-L92 PolarHBondContact O-N 3.41Å; L90-L92 VanDerWaalsContact C-N 3.27Å; L90-L92 PolarHBondContact O-N 3.27Å; L92-Q95 PolarHBondContact O-N 3.04Å; L92-A96 WeakPolarHBondContact O-CB 3.42Å; L92-A96 PolarHBondContact O-N 3.43Å; L92-L101 HydrophobicContact CB-CD1 4.27Å; L92-L101 HydrophobicContact CD2-CD1 3.98Å
93E89.9Confident85.4Confident87 Ų87130.7 Ų130.741%0.40765%0.645SS.*Hα-helixtrans-54.7-49.5178.4-170.6-169.9-166.900113.6L90 Q95 A96 R97L90-E93 WeakPolarHBondContact O-CB 3.44Å; L90-E93 PolarHBondContact O-N 2.91Å; E93-Q95 VanDerWaalsContact C-N 3.3Å; E93-Q95 PolarHBondContact O-N 3.34Å; E93-A96 PolarHBondContact O-N 3.43Å; E93-R97 HydrophobicContact CG-CG 4.37Å; E93-R97 WeakPolarHBondContact O-CG 3.23Å; E93-R97 PolarHBondContact O-N 3.12Å; E93-R97 IonicContact OE1-CZ 3.94Å; E93-R97 IonicContact OE1-NE 2.63Å; E93-R97 PolarHBondContact OE1-NE 2.6Å; E93-R97 VanDerWaalsContact OE1-NE 3.08Å; E93-R97 IonicContact OE1-NH2 3.6Å; E93-R97 PolarHBondContact OE1-NH2 3.08Å; E93-R97 IonicContact OE2-NH2 3.87Å
94P92.9Very high86.2Confident65 Ų65125 Ų12542%0.42263%0.625SS.*Hα-helixtrans-63.4-35.3-179.523.5-34.3000112.7L90 D91 K98L90-P94 VanDerWaalsContact O-CD 3.31Å; L90-P94 WeakPolarHBondContact O-CD 3.14Å; D91-P94 WeakPolarHBondContact O-CD 3.32Å; D91-P94 WeakPolarHBondContact O-CG 3.49Å; P94-K98 WeakPolarHBondContact O-CB 3.36Å; P94-K98 WeakPolarHBondContact O-CG 3.39Å; P94-K98 PolarHBondContact O-N 2.91Å
95Q93.7Very high87.3Confident87 Ų87125.6 Ų125.641%0.40762%0.62SS.*Hα-helixtrans-69.5-41176.2-63-177.5-0.500111.2L92 E93 K98 R99 T100 L101L92-Q95 PolarHBondContact O-N 3.04Å; E93-Q95 VanDerWaalsContact C-N 3.3Å; E93-Q95 PolarHBondContact O-N 3.34Å; Q95-K98 CarbonylContact O-C 3.54Å; Q95-K98 PolarHBondContact O-N 2.95Å; Q95-R99 PolarHBondContact O-N 2.86Å; Q95-T100 PolarHBondContact O-N 3.5Å; Q95-T100 PolarHBondContact O-OG1 3.07Å; Q95-L101 HydrophobicContact CB-CB 4.16Å; Q95-L101 HydrophobicContact CB-CD1 4.15Å; Q95-L101 PolarHBondContact O-N 3.03Å
96A92.2Very high88.4Confident51 Ų51125.8 Ų125.842%0.42162%0.616SS.*Hα-helixtrans-62.3-45.2174.100000111.5L92 E93 K98 R99 L101L92-A96 WeakPolarHBondContact O-CB 3.42Å; L92-A96 PolarHBondContact O-N 3.43Å; E93-A96 PolarHBondContact O-N 3.43Å; A96-K98 VanDerWaalsContact C-N 3.28Å; A96-K98 PolarHBondContact O-N 3.1Å; A96-R99 PolarHBondContact O-N 3.27Å; A96-L101 HydrophobicContact CB-CD2 4.37Å
97R93.2Very high89.3Confident187 Ų187121.4 Ų121.471%0.70660%0.596SS**Hα-helixtrans-60.1-37.6175.8-74.1-177-173.3-176.22112.1E93 R99E93-R97 HydrophobicContact CG-CG 4.37Å; E93-R97 WeakPolarHBondContact O-CG 3.23Å; E93-R97 PolarHBondContact O-N 3.12Å; E93-R97 IonicContact OE1-CZ 3.94Å; E93-R97 IonicContact OE1-NE 2.63Å; E93-R97 PolarHBondContact OE1-NE 2.6Å; E93-R97 VanDerWaalsContact OE1-NE 3.08Å; E93-R97 IonicContact OE1-NH2 3.6Å; E93-R97 PolarHBondContact OE1-NH2 3.08Å; E93-R97 IonicContact OE2-NH2 3.87Å; R97-R99 VanDerWaalsContact C-N 3.3Å
98K95.2Very high90Very high163 Ų163117.2 Ų117.271%0.70957%0.574SS**THydrogen-bonded Turntrans-82.3-2.7176.2-69178.1-178.8-178.60113.9P94 Q95 A96 T100P94-K98 WeakPolarHBondContact O-CB 3.36Å; P94-K98 WeakPolarHBondContact O-CG 3.39Å; P94-K98 PolarHBondContact O-N 2.91Å; Q95-K98 CarbonylContact O-C 3.54Å; Q95-K98 PolarHBondContact O-N 2.95Å; A96-K98 VanDerWaalsContact C-N 3.28Å; A96-K98 PolarHBondContact O-N 3.1Å; K98-T100 HydrophobicContact CB-CG2 4.11Å; K98-T100 PolarHBondContact O-N 3.29Å
99R92.6Very high90.3Very high234 Ų234113.6 Ų113.688%0.88356%0.559SS**THydrogen-bonded Turntrans55.131.4-174-56.5-179.5178.2171.3-1.2113.7Q95 A96 R97Q95-R99 PolarHBondContact O-N 2.86Å; A96-R99 PolarHBondContact O-N 3.27Å; R97-R99 VanDerWaalsContact C-N 3.3Å
100T95Very high90.4Very high85 Ų85105.9 Ų105.952%0.52153%0.534SS..  trans-103.6-117760.20000112.9Q95 K98 Q102Q95-T100 PolarHBondContact O-N 3.5Å; Q95-T100 PolarHBondContact O-OG1 3.07Å; K98-T100 HydrophobicContact CB-CG2 4.11Å; K98-T100 PolarHBondContact O-N 3.29Å; T100-Q102 PolarHBondContact O-N 3.47Å
101L91.6Very high90.1Very high70 Ų70103.2 Ų103.237%0.36652%0.524SS..  trans-67.2121.5-179.9-174.173000109.9L92 Q95 A96L92-L101 HydrophobicContact CB-CD1 4.27Å; L92-L101 HydrophobicContact CD2-CD1 3.98Å; Q95-L101 HydrophobicContact CB-CB 4.16Å; Q95-L101 HydrophobicContact CB-CD1 4.15Å; Q95-L101 PolarHBondContact O-N 3.03Å; A96-L101 HydrophobicContact CB-CD2 4.37Å
102Q91.7Very high89.8Confident177 Ų177101.3 Ų101.383%0.82752%0.522SS*.  trans-103139.4171.7-65.7-177-8.700109T100T100-Q102 PolarHBondContact O-N 3.47Å
103V88.9Confident89.6Confident89 Ų89103.5 Ų103.554%0.53953%0.53SS..  trans-112122.4175.7-166.10000107.6L105 I108V103-L105 PolarHBondContact O-N 2.95Å; V103-I108 HydrophobicContact CB-CD1 4.08Å; V103-I108 HydrophobicContact CG1-CD1 3.32Å; V103-I108 HydrophobicContact CG1-CG1 3.85Å
104P90.8Very high89.4Confident77 Ų77100.6 Ų100.650%0.552%0.518SS..  trans-66.7116.4178.326.2-32.1000109.7V107 I108P104-V107 HydrophobicContact CB-CB 4.22Å; P104-V107 HydrophobicContact CB-CG2 3.9Å; P104-V107 HydrophobicContact CG-CB 3.98Å; P104-V107 HydrophobicContact CG-CG2 3.9Å; P104-V107 PolarHBondContact O-N 3.34Å; P104-I108 WeakPolarHBondContact O-CG1 3.28Å; P104-I108 PolarHBondContact O-N 2.97Å
105L90.6Very high89.1Confident114 Ų114102.2 Ų102.260%0.59752%0.523SS*.Hα-helixtrans-67.8-38.5-175.4-65.5176.3000112.3V103 V107 I108 H109V103-L105 PolarHBondContact O-N 2.95Å; L105-V107 PolarHBondContact O-N 3.2Å; L105-I108 HydrophobicContact CD2-CD1 4.16Å; L105-I108 PolarHBondContact O-N 2.87Å; L105-H109 PolarHBondContact O-CD2 3.02Å; L105-H109 PolarHBondContact O-N 2.93Å
106D88.8Confident88.9Confident142 Ų142104.1 Ų104.176%0.75953%0.532SS*.Hα-helixtrans-61.1-33.9-178.3-50.6-26.1000111.9S110D106-S110 PolarHBondContact O-N 3.41Å; D106-S110 VanDerWaalsContact O-N 3.13Å
107V88.6Confident88.8Confident61 Ų61102.8 Ų102.837%0.3752%0.521SS..Hα-helixtrans-72.3-45.7179.3176.70000110.1P104 L105 H109 S110 E113P104-V107 HydrophobicContact CB-CB 4.22Å; P104-V107 HydrophobicContact CB-CG2 3.9Å; P104-V107 HydrophobicContact CG-CB 3.98Å; P104-V107 HydrophobicContact CG-CG2 3.9Å; P104-V107 PolarHBondContact O-N 3.34Å; L105-V107 PolarHBondContact O-N 3.2Å; V107-H109 VanDerWaalsContact C-N 3.28Å; V107-H109 PolarHBondContact O-N 3Å; V107-S110 VanDerWaalsContact O-CB 3.31Å; V107-S110 WeakPolarHBondContact O-CB 3.29Å; V107-S110 PolarHBondContact O-N 3.02Å; V107-S110 VanDerWaalsContact O-N 3.13Å; V107-S110 PolarHBondContact O-OG 3.08Å; V107-E113 WeakPolarHBondContact CG1-OE1 3.41Å; V107-E113 WeakPolarHBondContact CG1-OE2 3.36Å
108I88.1Confident88.9Confident67 Ų6794.5 Ų94.534%0.34449%0.491SS..Hα-helixtrans-58.8-41176.7-61.6163.8000111.5V103 P104 L105 S110 D114V103-I108 HydrophobicContact CB-CD1 4.08Å; V103-I108 HydrophobicContact CG1-CD1 3.32Å; V103-I108 HydrophobicContact CG1-CG1 3.85Å; P104-I108 WeakPolarHBondContact O-CG1 3.28Å; P104-I108 PolarHBondContact O-N 2.97Å; L105-I108 HydrophobicContact CD2-CD1 4.16Å; L105-I108 PolarHBondContact O-N 2.87Å; I108-S110 VanDerWaalsContact C-N 3.31Å; I108-D114 WeakPolarHBondContact O-CB 3.47Å
109H85.4Confident88.8Confident115 Ų11588.8 Ų88.853%0.53247%0.47SS..THydrogen-bonded Turntrans-87.80.8-177.7-69.1-46.6000113.8L105 V107 D114L105-H109 PolarHBondContact O-CD2 3.02Å; L105-H109 PolarHBondContact O-N 2.93Å; V107-H109 VanDerWaalsContact C-N 3.28Å; V107-H109 PolarHBondContact O-N 3Å; H109-D114 IonicContact ND1-OD2 2.93Å
110S86.3Confident88.8Confident26 Ų2683 Ų8318%0.18245%0.448CS..SBendtrans-63.8138.8175.272.80000110.1D106 V107 I108 S112 E113 D114D106-S110 PolarHBondContact O-N 3.41Å; D106-S110 VanDerWaalsContact O-N 3.13Å; V107-S110 VanDerWaalsContact O-CB 3.31Å; V107-S110 WeakPolarHBondContact O-CB 3.29Å; V107-S110 PolarHBondContact O-N 3.02Å; V107-S110 VanDerWaalsContact O-N 3.13Å; V107-S110 PolarHBondContact O-OG 3.08Å; I108-S110 VanDerWaalsContact C-N 3.31Å; S110-S112 PolarHBondContact O-N 2.9Å; S110-S112 PolarHBondContact OG-OG 2.9Å; S110-E113 PolarHBondContact O-N 2.97Å; S110-E113 WeakPolarHBondContact OG-CG 3.24Å; S110-E113 PolarHBondContact OG-N 2.81Å; S110-D114 WeakPolarHBondContact O-CB 3.36Å; S110-D114 PolarHBondContact O-N 3.36Å
111P80.5Confident88.8Confident69 Ų6980.2 Ų80.245%0.44843%0.428SS..THydrogen-bonded Turntrans-60.2-21.5-178.522.4-32.4000113.1N146P111-N146 HydrophobicContact CB-CB 4.36Å
112S81.3Confident88.9Confident97 Ų9778 Ų7868%0.67842%0.416SS*.THydrogen-bonded Turntrans-77.1-31.8176.530.90000114.3S110S110-S112 PolarHBondContact O-N 2.9Å; S110-S112 PolarHBondContact OG-OG 2.9Å
113E83.5Confident89.1Confident111 Ų11173.7 Ų73.752%0.51940%0.399SS..THydrogen-bonded Turntrans-94.9-30.9178.7-66.9-163.1176.100112.4V107 S110 N115V107-E113 WeakPolarHBondContact CG1-OE1 3.41Å; V107-E113 WeakPolarHBondContact CG1-OE2 3.36Å; S110-E113 PolarHBondContact O-N 2.97Å; S110-E113 WeakPolarHBondContact OG-CG 3.24Å; S110-E113 PolarHBondContact OG-N 2.81Å; E113-N115 PolarHBondContact O-N 2.7Å; E113-N115 PolarHBondContact O-ND2 3Å
114D87.4Confident89.4Confident26 Ų2671.8 Ų71.814%0.13939%0.387CS..  trans-85.168.9-171.1-159.2-12000113.7I108 H109 S110 E116 A117 R120I108-D114 WeakPolarHBondContact O-CB 3.47Å; H109-D114 IonicContact ND1-OD2 2.93Å; S110-D114 WeakPolarHBondContact O-CB 3.36Å; S110-D114 PolarHBondContact O-N 3.36Å; D114-E116 PolarHBondContact O-N 2.88Å; D114-E116 VanDerWaalsContact O-N 3.14Å; D114-A117 HydrophobicContact CB-CB 4.22Å; D114-A117 VanDerWaalsContact O-CB 3.3Å; D114-A117 WeakPolarHBondContact O-CB 3.42Å; D114-A117 PolarHBondContact O-N 3.49Å; D114-A117 VanDerWaalsContact O-N 3.13Å; D114-A117 PolarHBondContact OD1-N 3.22Å; D114-R120 IonicContact OD1-CZ 2.56Å; D114-R120 IonicContact OD1-NH2 2.78Å; D114-R120 PolarHBondContact OD1-NH2 2.85Å; D114-R120 IonicContact OD2-CZ 2.77Å; D114-R120 IonicContact OD2-NH2 3.12Å; D114-R120 PolarHBondContact OD2-NH2 3.4Å
115N86.2Confident89.7Confident99 Ų9968.1 Ų68.153%0.52936%0.363SS..THydrogen-bonded Turntrans-62.6-22.8-175.2-61.9-59.5000114.6Y78 P81 E113Y78-N115 PolarHBondContact OH-O 2.95Å; Y78-N115 VanDerWaalsContact OH-O 3.06Å; P81-N115 HydrophobicContact CB-CB 3.72Å; P81-N115 HydrophobicContact CG-CB 3.77Å; E113-N115 PolarHBondContact O-N 2.7Å; E113-N115 PolarHBondContact O-ND2 3Å
116E88.8Confident89.8Confident127 Ų12766.8 Ų66.859%0.59335%0.354SS*.THydrogen-bonded Turntrans-91.2-4.6-179.3-65.6-175.2175.900113.1D114 P118 V119 R120D114-E116 PolarHBondContact O-N 2.88Å; D114-E116 VanDerWaalsContact O-N 3.14Å; E116-P118 VanDerWaalsContact C-CD 3.44Å; E116-V119 PolarHBondContact O-N 2.97Å; E116-V119 VanDerWaalsContact O-N 3.17Å; E116-R120 PolarHBondContact O-N 3.37Å; E116-R120 VanDerWaalsContact O-N 3.09Å
117A91.2Very high90.1Very high23 Ų2367.4 Ų67.419%0.1935%0.352CS..Hα-helixtrans-53.5-41.6179.400000114D114 V119 R120 R121D114-A117 HydrophobicContact CB-CB 4.22Å; D114-A117 VanDerWaalsContact O-CB 3.3Å; D114-A117 WeakPolarHBondContact O-CB 3.42Å; D114-A117 PolarHBondContact O-N 3.49Å; D114-A117 VanDerWaalsContact O-N 3.13Å; D114-A117 PolarHBondContact OD1-N 3.22Å; A117-V119 PolarHBondContact O-N 3.33Å; A117-R120 PolarHBondContact O-N 2.93Å; A117-R121 WeakPolarHBondContact O-CG 3.42Å; A117-R121 PolarHBondContact O-N 3.28Å
118P93.5Very high90.4Very high13 Ų1367.9 Ų67.98%0.08435%0.348CS..Hα-helixtrans-60.6-41.9177.4-2637.3000113.3Y78 E116 R121 L122 V142 P143Y78-P118 HydrophobicContact CD2-CB 4.32Å; Y78-P118 HydrophobicContact CE2-CB 3.88Å; Y78-P118 HydrophobicContact CE2-CG 3.88Å; E116-P118 VanDerWaalsContact C-CD 3.44Å; P118-R121 PolarHBondContact O-N 3.21Å; P118-L122 PolarHBondContact O-N 3.42Å; P118-V142 HydrophobicContact CB-CG1 3.7Å; P118-P143 WeakPolarHBondContact CB-O 3.44Å
119V93.2Very high90.7Very high43 Ų4365.7 Ų65.726%0.26134%0.342SS..Hα-helixtrans-67.8-40.6179.5-179.20000110.6Y78 F80 E116 A117 L122 N123Y78-V119 HydrophobicContact CE1-CG2 3.59Å; F80-V119 HydrophobicContact CE1-CG2 4.04Å; E116-V119 PolarHBondContact O-N 2.97Å; E116-V119 VanDerWaalsContact O-N 3.17Å; A117-V119 PolarHBondContact O-N 3.33Å; V119-L122 PolarHBondContact O-N 3.44Å; V119-N123 VanDerWaalsContact O-CG 3.29Å; V119-N123 PolarHBondContact O-N 3.17Å; V119-N123 PolarHBondContact O-ND2 3.34Å
120R93.6Very high91.1Very high111 Ų11160.2 Ų60.242%0.41932%0.316SS..Hα-helixtrans-63.5-43.4175-73.8-170.6-75.9128.8-7.1111.9D114 E116 A117 L122 N123 V124D114-R120 IonicContact OD1-CZ 2.56Å; D114-R120 IonicContact OD1-NH2 2.78Å; D114-R120 PolarHBondContact OD1-NH2 2.85Å; D114-R120 IonicContact OD2-CZ 2.77Å; D114-R120 IonicContact OD2-NH2 3.12Å; D114-R120 PolarHBondContact OD2-NH2 3.4Å; E116-R120 PolarHBondContact O-N 3.37Å; E116-R120 VanDerWaalsContact O-N 3.09Å; A117-R120 PolarHBondContact O-N 2.93Å; R120-L122 VanDerWaalsContact C-N 3.34Å; R120-L122 PolarHBondContact O-N 2.94Å; R120-N123 PolarHBondContact O-N 3.16Å; R120-V124 WeakPolarHBondContact O-CB 3.4Å; R120-V124 VanDerWaalsContact O-CG2 3.24Å; R120-V124 WeakPolarHBondContact O-CG2 3.39Å; R120-V124 PolarHBondContact O-N 3.09Å
121R94.2Very high91.5Very high27 Ų2759 Ų5910%0.10231%0.308CS..Hα-helixtrans-61-41.5174.6-75.6-171.4-73.2166.5-4.3112A117 P118 V124 A125 P143 V145A117-R121 WeakPolarHBondContact O-CG 3.42Å; A117-R121 PolarHBondContact O-N 3.28Å; P118-R121 PolarHBondContact O-N 3.21Å; R121-V124 PolarHBondContact O-N 3.45Å; R121-A125 VanDerWaalsContact O-CB 3.32Å; R121-A125 WeakPolarHBondContact O-CB 3.31Å; R121-A125 PolarHBondContact O-N 2.57Å; R121-P143 HydrophobicContact CB-CG 3.5Å; R121-P143 VanDerWaalsContact CB-CG 3.5Å; R121-P143 VanDerWaalsContact CZ-O 3.25Å; R121-P143 PolarHBondContact NH2-O 2.83Å; R121-V145 PolarHBondContact NH1-O 2.88Å; R121-V145 PolarHBondContact NH2-O 3.37Å
122L94.6Very high91.9Very high25 Ų2560.6 Ų60.613%0.13131%0.312CS..Hα-helixtrans-59-49.7173.3174153.4000111.7P118 V119 R120 V124 A125 Q126 I140 V142P118-L122 PolarHBondContact O-N 3.42Å; V119-L122 PolarHBondContact O-N 3.44Å; R120-L122 VanDerWaalsContact C-N 3.34Å; R120-L122 PolarHBondContact O-N 2.94Å; L122-V124 VanDerWaalsContact C-N 3.3Å; L122-V124 PolarHBondContact O-N 3.13Å; L122-A125 PolarHBondContact O-N 2.63Å; L122-Q126 HydrophobicContact CD2-CG 4.29Å; L122-Q126 WeakPolarHBondContact O-CG 3.3Å; L122-Q126 PolarHBondContact O-N 2.99Å; L122-I140 HydrophobicContact CD1-CG2 4.06Å; L122-I140 HydrophobicContact CG-CG2 4.4Å; L122-V142 HydrophobicContact CD1-CB 4.39Å; L122-V142 HydrophobicContact CD1-CG2 3.68Å
123N95.4Very high92.3Very high86 Ų8657.6 Ų57.646%0.4629%0.291SS..Hα-helixtrans-61.7-41.1-179.2-70.4-21.7000111.7V119 R120 Q126 H127V119-N123 VanDerWaalsContact O-CG 3.29Å; V119-N123 PolarHBondContact O-N 3.17Å; V119-N123 PolarHBondContact O-ND2 3.34Å; R120-N123 PolarHBondContact O-N 3.16Å; N123-Q126 PolarHBondContact O-N 3.03Å; N123-H127 WeakPolarHBondContact O-CB 3.32Å; N123-H127 PolarHBondContact O-N 3.13Å
124V96.3Very high92.7Very high48 Ų4852.4 Ų52.429%0.29127%0.267SS..Hα-helixtrans-63.8-48176170.40000110.1R120 R121 L122 Q126 H127 Y128 F319R120-V124 WeakPolarHBondContact O-CB 3.4Å; R120-V124 VanDerWaalsContact O-CG2 3.24Å; R120-V124 WeakPolarHBondContact O-CG2 3.39Å; R120-V124 PolarHBondContact O-N 3.09Å; R121-V124 PolarHBondContact O-N 3.45Å; L122-V124 VanDerWaalsContact C-N 3.3Å; L122-V124 PolarHBondContact O-N 3.13Å; V124-Q126 VanDerWaalsContact C-N 3.31Å; V124-Q126 PolarHBondContact O-N 3.3Å; V124-H127 WeakPolarHBondContact O-CB 3.36Å; V124-H127 PolarHBondContact O-N 3.34Å; V124-H127 VanDerWaalsContact O-N 3.09Å; V124-Y128 HydrophobicContact CG1-CD2 3.86Å; V124-Y128 HydrophobicContact CG1-CE2 3.87Å; V124-Y128 VanDerWaalsContact O-CD2 3.29Å; V124-Y128 WeakPolarHBondContact O-CD2 3.49Å; V124-Y128 PolarHBondContact O-N 3.01Å; V124-F319 HydrophobicContact CG1-CE1 3.93Å; V124-F319 HydrophobicContact CG1-CZ 3.66Å
125A95.9Very high92.9Very high0 Ų051.4 Ų51.40%026%0.262CS..Hα-helixtrans-61.5-37.5178.500000113.3R121 L122 G129 I130 F131 L317R121-A125 VanDerWaalsContact O-CB 3.32Å; R121-A125 WeakPolarHBondContact O-CB 3.31Å; R121-A125 PolarHBondContact O-N 2.57Å; L122-A125 PolarHBondContact O-N 2.63Å; A125-G129 PolarHBondContact O-N 2.75Å; A125-G129 VanDerWaalsContact O-N 3.16Å; A125-I130 HydrophobicContact CB-CB 4.38Å; A125-I130 HydrophobicContact CB-CD1 4.25Å; A125-I130 PolarHBondContact O-N 3.14Å; A125-F131 HydrophobicContact CB-CD2 4.24Å; A125-F131 HydrophobicContact CB-CE2 3.48Å; A125-F131 VanDerWaalsContact CB-CE2 3.48Å; A125-F131 HydrophobicContact CB-CZ 3.65Å; A125-L317 HydrophobicContact CB-CD2 3.37Å
126Q93.5Very high92.9Very high87 Ų8747.4 Ų47.441%0.40724%0.244SC..Hα-helixtrans-64.3-43.8171.9-74.4-179.7-8.400112L122 N123 V124 Y128 G129 F131L122-Q126 HydrophobicContact CD2-CG 4.29Å; L122-Q126 WeakPolarHBondContact O-CG 3.3Å; L122-Q126 PolarHBondContact O-N 2.99Å; N123-Q126 PolarHBondContact O-N 3.03Å; V124-Q126 VanDerWaalsContact C-N 3.31Å; V124-Q126 PolarHBondContact O-N 3.3Å; Q126-Y128 VanDerWaalsContact C-N 3.32Å; Q126-Y128 PolarHBondContact O-N 3.13Å; Q126-G129 PolarHBondContact O-N 3.29Å; Q126-F131 HydrophobicContact CG-CD2 3.84Å; Q126-F131 HydrophobicContact CG-CE2 3.88Å
127H95.1Very high92.6Very high154 Ų15443.4 Ų43.471%0.71323%0.229SC*.Hα-helixtrans-59.8-42.6177.8174.6-88.3000111.9N123 V124 G129N123-H127 WeakPolarHBondContact O-CB 3.32Å; N123-H127 PolarHBondContact O-N 3.13Å; V124-H127 WeakPolarHBondContact O-CB 3.36Å; V124-H127 PolarHBondContact O-N 3.34Å; V124-H127 VanDerWaalsContact O-N 3.09Å; H127-G129 PolarHBondContact O-N 3.33Å
128Y95Very high92.2Very high71 Ų7143.1 Ų43.128%0.27823%0.225SC..THydrogen-bonded Turntrans-76.6-4175.8-77-84.4000113.5V124 Q126 I130 R265 F319 Q321V124-Y128 HydrophobicContact CG1-CD2 3.86Å; V124-Y128 HydrophobicContact CG1-CE2 3.87Å; V124-Y128 VanDerWaalsContact O-CD2 3.29Å; V124-Y128 WeakPolarHBondContact O-CD2 3.49Å; V124-Y128 PolarHBondContact O-N 3.01Å; Q126-Y128 VanDerWaalsContact C-N 3.32Å; Q126-Y128 PolarHBondContact O-N 3.13Å; Y128-I130 VanDerWaalsContact C-N 3.3Å; Y128-I130 PolarHBondContact O-N 3.18Å; Y128-R265 PolarHBondContact O-NH1 3.42Å; Y128-F319 HydrophobicContact CD1-CE2 4.1Å; Y128-F319 AromaticContact CD2-CE2 3.64Å; Y128-F319 HydrophobicContact CD2-CE2 3.64Å; Y128-F319 AromaticContact CD2-CZ 3.37Å; Y128-F319 HydrophobicContact CD2-CZ 3.37Å; Y128-F319 HydrophobicContact CE1-CE2 4.37Å; Y128-F319 AromaticContact CE2-CE2 3.95Å; Y128-F319 HydrophobicContact CE2-CE2 3.95Å; Y128-F319 AromaticContact CE2-CZ 3.78Å; Y128-F319 HydrophobicContact CE2-CZ 3.78Å; Y128-F319 AromaticContact CG-CE2 3.7Å; Y128-F319 HydrophobicContact CG-CE2 3.7Å; Y128-F319 AromaticContact CG-CZ 3.84Å; Y128-F319 HydrophobicContact CG-CZ 3.84Å; Y128-Q321 VanDerWaalsContact CE1-NE2 3.3Å
129G93.1Very high92.1Very high21 Ų2145.7 Ų45.722%0.21624%0.236CC..THydrogen-bonded Turntrans67.626.4179.800000114.1A125 Q126 H127 S133A125-G129 PolarHBondContact O-N 2.75Å; A125-G129 VanDerWaalsContact O-N 3.16Å; Q126-G129 PolarHBondContact O-N 3.29Å; H127-G129 PolarHBondContact O-N 3.33Å; G129-S133 PolarHBondContact O-N 3.2Å; G129-S133 PolarHBondContact O-OG 3.33Å
130I94.4Very high92.2Very high0 Ų045.2 Ų45.20%023%0.231CC..Hα-helixtrans-63.9-48.3-176.3-71.2176.7000111.5A125 Y128 N132 S133 L134 I267 L317 F319A125-I130 HydrophobicContact CB-CB 4.38Å; A125-I130 HydrophobicContact CB-CD1 4.25Å; A125-I130 PolarHBondContact O-N 3.14Å; Y128-I130 VanDerWaalsContact C-N 3.3Å; Y128-I130 PolarHBondContact O-N 3.18Å; I130-N132 VanDerWaalsContact C-N 3.29Å; I130-N132 PolarHBondContact O-N 3.22Å; I130-S133 PolarHBondContact O-N 3.02Å; I130-S133 PolarHBondContact O-OG 2.86Å; I130-L134 HydrophobicContact CG2-CD1 3.59Å; I130-L134 HydrophobicContact CG2-CG 4.29Å; I130-L134 WeakPolarHBondContact O-CG 3.31Å; I130-L134 PolarHBondContact O-N 3.41Å; I130-I267 HydrophobicContact CB-CD1 4.36Å; I130-I267 HydrophobicContact CD1-CD1 4.36Å; I130-I267 HydrophobicContact CD1-CG1 4.37Å; I130-I267 HydrophobicContact CG1-CD1 3.92Å; I130-I267 HydrophobicContact CG1-CG1 4.45Å; I130-I267 HydrophobicContact CG2-CD1 3.91Å; I130-I267 HydrophobicContact CG2-CG2 4.18Å; I130-L317 HydrophobicContact CD1-CD2 4.42Å; I130-L317 HydrophobicContact CG2-CD1 4.26Å; I130-L317 HydrophobicContact CG2-CD2 4.34Å; I130-F319 HydrophobicContact CD1-CB 4.25Å; I130-F319 HydrophobicContact CD1-CD1 3.32Å; I130-F319 HydrophobicContact CD1-CD2 3.79Å; I130-F319 HydrophobicContact CD1-CE1 3.45Å; I130-F319 VanDerWaalsContact CD1-CE1 3.45Å; I130-F319 HydrophobicContact CD1-CE2 3.89Å; I130-F319 HydrophobicContact CD1-CG 3.51Å; I130-F319 HydrophobicContact CD1-CZ 3.74Å
131F93.9Very high92.3Very high2 Ų240 Ų401%0.00921%0.211CC..Hα-helixtrans-62.2-40.3-177.7-60.5-59.8000112.2A125 Q126 S133 L134 F135 G136 H139 I140 F141 L317A125-F131 HydrophobicContact CB-CD2 4.24Å; A125-F131 HydrophobicContact CB-CE2 3.48Å; A125-F131 VanDerWaalsContact CB-CE2 3.48Å; A125-F131 HydrophobicContact CB-CZ 3.65Å; Q126-F131 HydrophobicContact CG-CD2 3.84Å; Q126-F131 HydrophobicContact CG-CE2 3.88Å; F131-S133 VanDerWaalsContact C-N 3.31Å; F131-S133 PolarHBondContact O-N 3.46Å; F131-L134 PolarHBondContact O-N 2.9Å; F131-F135 HydrophobicContact CD1-CD2 4.37Å; F131-F135 PolarHBondContact O-N 3.02Å; F131-G136 PolarHBondContact O-N 2.98Å; F131-H139 WeakPolarHBondContact CB-O 3.44Å; F131-I140 HydrophobicContact CD2-CG2 3.96Å; F131-I140 HydrophobicContact CE2-CG2 3.86Å; F131-I140 HydrophobicContact CG-CG2 4.37Å; F131-I140 HydrophobicContact CZ-CG2 4.18Å; F131-F141 HydrophobicContact CD1-CD1 4.08Å; F131-F141 HydrophobicContact CD1-CE1 4.18Å; F131-F141 AromaticContact CE1-CD1 3.55Å; F131-F141 HydrophobicContact CE1-CD1 3.55Å; F131-F141 AromaticContact CE1-CE1 3.61Å; F131-F141 HydrophobicContact CE1-CE1 3.61Å; F131-F141 HydrophobicContact CE1-CG 4.19Å; F131-F141 HydrophobicContact CE1-CZ 4.27Å; F131-F141 WeakPolarHBondContact CZ-O 3.23Å; F131-L317 HydrophobicContact CZ-CD2 4.4Å
132N90.1Very high92.3Very high101 Ų10139.4 Ų39.454%0.5421%0.211SC..Hα-helixtrans-65-35.4178.4-66.2-15.5000112.3I130 G136I130-N132 VanDerWaalsContact C-N 3.29Å; I130-N132 PolarHBondContact O-N 3.22Å; N132-G136 WeakPolarHBondContact O-CA 3.43Å; N132-G136 PolarHBondContact O-N 3.38Å
133S90Very high92.3Very high34 Ų3438.2 Ų38.224%0.23821%0.205CC..Hα-helixtrans-77.8-37.9179.149.60000113.1G129 I130 F131G129-S133 PolarHBondContact O-N 3.2Å; G129-S133 PolarHBondContact O-OG 3.33Å; I130-S133 PolarHBondContact O-N 3.02Å; I130-S133 PolarHBondContact O-OG 2.86Å; F131-S133 VanDerWaalsContact C-N 3.31Å; F131-S133 PolarHBondContact O-N 3.46Å
134L92.3Very high92.2Very high3 Ų336.5 Ų36.52%0.01620%0.197CC..Hα-helixtrans-87.2-51.5-173.5-61.4178.2000112.9I130 F131 P212 E226 I267 I269 T301 L302I130-L134 HydrophobicContact CG2-CD1 3.59Å; I130-L134 HydrophobicContact CG2-CG 4.29Å; I130-L134 WeakPolarHBondContact O-CG 3.31Å; I130-L134 PolarHBondContact O-N 3.41Å; F131-L134 PolarHBondContact O-N 2.9Å; L134-P212 HydrophobicContact CD2-CB 4.46Å; L134-E226 WeakPolarHBondContact CD2-OE2 3.15Å; L134-I267 HydrophobicContact CD1-CD1 4.05Å; L134-I267 HydrophobicContact CD1-CG2 3.95Å; L134-I267 HydrophobicContact CD2-CD1 4.22Å; L134-I267 HydrophobicContact CG-CD1 4.28Å; L134-I269 HydrophobicContact CD1-CD1 3.62Å; L134-I269 HydrophobicContact CD1-CG1 4.25Å; L134-T301 WeakPolarHBondContact CA-OG1 3.4Å; L134-T301 HydrophobicContact CD2-CG2 4.3Å; L134-T301 PolarHBondContact O-OG1 3.06Å; L134-L302 WeakPolarHBondContact O-CB 3.46Å; L134-L302 PolarHBondContact O-N 3.5Å
135F91.2Very high92Very high5 Ų534.8 Ų34.82%0.02219%0.187CC..THydrogen-bonded Turntrans-103.5-13.8-174.2-55.9-77.1000112.6I74 F131 H139 F141 I269 L302 Y305I74-F135 HydrophobicContact CD1-CB 4.48Å; I74-F135 HydrophobicContact CD1-CD1 3.72Å; I74-F135 HydrophobicContact CD1-CD2 4.31Å; I74-F135 HydrophobicContact CD1-CE1 3.97Å; I74-F135 HydrophobicContact CD1-CG 3.9Å; I74-F135 HydrophobicContact CD1-CZ 4.38Å; F131-F135 HydrophobicContact CD1-CD2 4.37Å; F131-F135 PolarHBondContact O-N 3.02Å; F135-H139 HydrophobicContact CB-CB 3.74Å; F135-H139 PolarHBondContact O-CD2 3.01Å; F135-H139 VanDerWaalsContact O-CD2 3.32Å; F135-F141 HydrophobicContact CE2-CD1 4.13Å; F135-F141 AromaticContact CE2-CE1 3.72Å; F135-F141 HydrophobicContact CE2-CE1 3.72Å; F135-F141 HydrophobicContact CZ-CE1 4.09Å; F135-I269 HydrophobicContact CZ-CD1 4.11Å; F135-L302 WeakPolarHBondContact O-CD1 2.95Å; F135-Y305 HydrophobicContact CD1-CD1 4.2Å; F135-Y305 HydrophobicContact CD1-CG 4.42Å; F135-Y305 HydrophobicContact CE1-CD1 4.31Å; F135-Y305 HydrophobicContact CE1-CG 4.14Å
136G85.6Confident91.7Very high14 Ų1437 Ų3714%0.14420%0.199CC..  trans75.6153.9-172.300000112.7F131 N132 H139F131-G136 PolarHBondContact O-N 2.98Å; N132-G136 WeakPolarHBondContact O-CA 3.43Å; N132-G136 PolarHBondContact O-N 3.38Å; G136-H139 PolarHBondContact O-N 2.88Å; G136-H139 VanDerWaalsContact O-N 3.08Å
137P82.3Confident91.6Very high43 Ų4333.2 Ų33.228%0.27918%0.181SC..THydrogen-bonded Turntrans-64.1135.5170.626.3-30.8000109.5L66L66-P137 HydrophobicContact CB-CG 4.13Å
138P83.4Confident91.5Very high18 Ų1829.7 Ų29.712%0.11717%0.165CC..THydrogen-bonded Turncis-108.822.816.142.1-37000115.3L69 E70 S71 V72L69-P138 HydrophobicContact CB-CB 3.99Å; L69-P138 HydrophobicContact CB-CG 3.92Å; L69-P138 HydrophobicContact CD1-CG 4.32Å; E70-P138 WeakPolarHBondContact O-CB 3.22Å; S71-P138 CarbonylContact C-O 3.52Å; S71-P138 VanDerWaalsContact CA-O 3.24Å; S71-P138 WeakPolarHBondContact CA-O 3.47Å; V72-P138 HydrophobicContact CG2-CG 4.24Å; V72-P138 PolarHBondContact N-O 3.32Å
139H91.9Very high91.4Very high67 Ų6726.4 Ų26.431%0.3115%0.152SC..EExtended strand (participates in β ladder)trans-80.9132.9-168.9-55.1-62.3000112.8I74 F131 F135 G136I74-H139 HydrophobicContact CD1-CB 4.21Å; I74-H139 HydrophobicContact CG2-CB 4.32Å; F131-H139 WeakPolarHBondContact CB-O 3.44Å; F135-H139 HydrophobicContact CB-CB 3.74Å; F135-H139 PolarHBondContact O-CD2 3.01Å; F135-H139 VanDerWaalsContact O-CD2 3.32Å; G136-H139 PolarHBondContact O-N 2.88Å; G136-H139 VanDerWaalsContact O-N 3.08Å
140I94Very high91.4Very high32 Ų3228.1 Ų28.116%0.16415%0.154CC..EExtended strand (participates in β ladder)trans-140.1155.3179.8-55.2-176.6000107.6V72 D73 I74 L122 F131V72-I140 PolarHBondContact O-N 3Å; V72-I140 VanDerWaalsContact O-O 3.11Å; D73-I140 CarbonylContact C-O 3.57Å; D73-I140 VanDerWaalsContact CA-O 3.22Å; D73-I140 WeakPolarHBondContact CA-O 3.47Å; I74-I140 WeakPolarHBondContact CG1-O 3.21Å; I74-I140 PolarHBondContact N-O 3.07Å; L122-I140 HydrophobicContact CD1-CG2 4.06Å; L122-I140 HydrophobicContact CG-CG2 4.4Å; F131-I140 HydrophobicContact CD2-CG2 3.96Å; F131-I140 HydrophobicContact CE2-CG2 3.86Å; F131-I140 HydrophobicContact CG-CG2 4.37Å; F131-I140 HydrophobicContact CZ-CG2 4.18Å
141F95.2Very high91.3Very high1 Ų128.1 Ų28.10%0.00416%0.155CC..  trans-141.4154.2164.471.1-88.4000112.3D73 I74 F131 F135 P143 I269 P314 L317D73-F141 WeakPolarHBondContact OD1-CA 3.39Å; I74-F141 HydrophobicContact CG1-CB 4.02Å; I74-F141 HydrophobicContact CG1-CD1 4.44Å; F131-F141 HydrophobicContact CD1-CD1 4.08Å; F131-F141 HydrophobicContact CD1-CE1 4.18Å; F131-F141 AromaticContact CE1-CD1 3.55Å; F131-F141 HydrophobicContact CE1-CD1 3.55Å; F131-F141 AromaticContact CE1-CE1 3.61Å; F131-F141 HydrophobicContact CE1-CE1 3.61Å; F131-F141 HydrophobicContact CE1-CG 4.19Å; F131-F141 HydrophobicContact CE1-CZ 4.27Å; F131-F141 WeakPolarHBondContact CZ-O 3.23Å; F135-F141 HydrophobicContact CE2-CD1 4.13Å; F135-F141 AromaticContact CE2-CE1 3.72Å; F135-F141 HydrophobicContact CE2-CE1 3.72Å; F135-F141 HydrophobicContact CZ-CE1 4.09Å; F141-P143 HydrophobicContact CE2-CB 4.07Å; F141-P143 WeakPolarHBondContact O-CD 3.22Å; F141-I269 HydrophobicContact CZ-CG2 4.45Å; F141-P314 HydrophobicContact CB-CG 4.34Å; F141-P314 HydrophobicContact CD1-CB 3.89Å; F141-P314 HydrophobicContact CD1-CG 4Å; F141-P314 HydrophobicContact CD2-CB 4.07Å; F141-P314 HydrophobicContact CD2-CG 4.47Å; F141-P314 HydrophobicContact CE1-CB 3.83Å; F141-P314 HydrophobicContact CE1-CG 4.42Å; F141-P314 HydrophobicContact CE2-CB 4.03Å; F141-P314 HydrophobicContact CG-CB 4.02Å; F141-P314 HydrophobicContact CG-CG 4.04Å; F141-P314 HydrophobicContact CZ-CB 3.92Å; F141-L317 HydrophobicContact CE2-CB 4.32Å; F141-L317 HydrophobicContact CZ-CB 4.07Å; F141-L317 HydrophobicContact CZ-CD1 4.34Å
142V95.3Very high91.1Very high15 Ų1533.1 Ų33.19%0.09118%0.181CC..  trans-85118.5170.7-173.40000108.8Y78 P118 L122 V144Y78-V142 HydrophobicContact CD1-CG1 4.13Å; Y78-V142 HydrophobicContact CD2-CG1 4.11Å; Y78-V142 HydrophobicContact CG-CB 4.4Å; Y78-V142 HydrophobicContact CG-CG1 3.81Å; P118-V142 HydrophobicContact CB-CG1 3.7Å; L122-V142 HydrophobicContact CD1-CB 4.39Å; L122-V142 HydrophobicContact CD1-CG2 3.68Å; V142-V144 VanDerWaalsContact C-N 3.31Å; V142-V144 HydrophobicContact CB-CG2 4.38Å; V142-V144 HydrophobicContact CG1-CG2 4.25Å; V142-V144 WeakPolarHBondContact O-CG2 3.34Å; V142-V144 PolarHBondContact O-N 2.88Å
143P95.3Very high90.5Very high0 Ų031.8 Ų31.80%017%0.17CC..  trans-74.587.8175.330-32.6000109.2P118 R121 F141 A315 L317P118-P143 WeakPolarHBondContact CB-O 3.44Å; R121-P143 HydrophobicContact CB-CG 3.5Å; R121-P143 VanDerWaalsContact CB-CG 3.5Å; R121-P143 VanDerWaalsContact CZ-O 3.25Å; R121-P143 PolarHBondContact NH2-O 2.83Å; F141-P143 HydrophobicContact CE2-CB 4.07Å; F141-P143 WeakPolarHBondContact O-CD 3.22Å; P143-A315 CarbonylContact C-O 3.59Å; P143-A315 WeakPolarHBondContact CA-O 3.23Å; P143-L317 HydrophobicContact CB-CB 3.82Å; P143-L317 HydrophobicContact CG-CB 4.35Å
144V93Very high89.4Confident50 Ų5033.4 Ų33.430%0.30318%0.18SC..  trans-72.7-44.4-178.1-176.50000110.7L76 Y78 V142 A315L76-V144 HydrophobicContact CB-CG2 4.25Å; Y78-V144 HydrophobicContact CD2-CG2 4.06Å; Y78-V144 HydrophobicContact CG-CG2 4.47Å; V142-V144 VanDerWaalsContact C-N 3.31Å; V142-V144 HydrophobicContact CB-CG2 4.38Å; V142-V144 HydrophobicContact CG1-CG2 4.25Å; V142-V144 WeakPolarHBondContact O-CG2 3.34Å; V142-V144 PolarHBondContact O-N 2.88Å; V144-A315 PolarHBondContact N-O 2.75Å
145V92Very high87.9Confident13 Ų1338.6 Ų38.68%0.07921%0.208CC..SBendtrans-79128.7-175.9179.90000109.5L76 R121 A199 W205 L270 A315L76-V145 HydrophobicContact CD1-CG2 4.14Å; R121-V145 PolarHBondContact NH1-O 2.88Å; R121-V145 PolarHBondContact NH2-O 3.37Å; V145-A199 HydrophobicContact CG1-CB 3.77Å; V145-W205 HydrophobicContact CG1-CH2 4.41Å; V145-W205 HydrophobicContact CG2-CH2 3.89Å; V145-W205 HydrophobicContact CG2-CZ3 4.12Å; V145-L270 HydrophobicContact CG1-CD2 4.04Å; V145-A315 HydrophobicContact CB-CB 4.26Å; V145-A315 HydrophobicContact CG2-CB 3.88Å; V145-A315 PolarHBondContact N-O 3.28Å
146N90.1Very high86.2Confident47 Ų4743.2 Ų43.225%0.25123%0.232SC..  trans-90137169.7-163.726000109.6P111 A198P111-N146 HydrophobicContact CB-CB 4.36Å; N146-A198 HydrophobicContact CB-CB 4.45Å
147F91.3Very high84.4Confident7 Ų750.7 Ų50.73%0.03126%0.264CS..  trans-145.3140171.568.2-72.2000107.7I149 I194 L196 L207 F268 L270 A318F147-I149 HydrophobicContact CD2-CD1 4.16Å; F147-I149 HydrophobicContact CD2-CG1 3.84Å; F147-I149 HydrophobicContact CE2-CD1 3.51Å; F147-I149 HydrophobicContact CE2-CG1 3.73Å; F147-I149 HydrophobicContact CZ-CD1 4.26Å; F147-I194 HydrophobicContact CD2-CG2 4.33Å; F147-L196 HydrophobicContact CB-CD2 3.74Å; F147-L196 HydrophobicContact CG-CD2 4.46Å; F147-L207 HydrophobicContact CE2-CD1 3.7Å; F147-L207 HydrophobicContact CZ-CD1 4.26Å; F147-F268 HydrophobicContact CE2-CB 4.16Å; F147-F268 HydrophobicContact CZ-CB 4.01Å; F147-L270 HydrophobicContact CB-CD2 4.23Å; F147-L270 HydrophobicContact CD1-CB 4.06Å; F147-L270 HydrophobicContact CD1-CD2 3.95Å; F147-L270 HydrophobicContact CE1-CB 3.77Å; F147-L270 HydrophobicContact CE2-CB 4.45Å; F147-L270 HydrophobicContact CG-CD2 4.06Å; F147-L270 HydrophobicContact CZ-CB 3.99Å; F147-A318 HydrophobicContact CE1-CB 4.19Å; F147-A318 HydrophobicContact CE2-CB 4.29Å; F147-A318 HydrophobicContact CZ-CB 3.79Å
148E91.2Very high82.5Confident80 Ų8053.6 Ų53.637%0.37428%0.282SS..EExtended strand (participates in β ladder)trans-104.1138.2-175.9-56.8164.7164.700108.3N195E148-N195 HydrophobicContact CB-CB 4.14Å; E148-N195 PolarHBondContact N-O 2.91Å; E148-N195 VanDerWaalsContact N-O 3.13Å; E148-N195 PolarHBondContact O-N 3.05Å; E148-N195 PolarHBondContact OE2-ND2 2.95Å
149I93.5Very high80.6Confident1 Ų159.5 Ų59.51%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-123.3132.5177.8-53.1171000106.8F147 P176 V177 P192 F193 F268 A318F147-I149 HydrophobicContact CD2-CD1 4.16Å; F147-I149 HydrophobicContact CD2-CG1 3.84Å; F147-I149 HydrophobicContact CE2-CD1 3.51Å; F147-I149 HydrophobicContact CE2-CG1 3.73Å; F147-I149 HydrophobicContact CZ-CD1 4.26Å; I149-P176 CarbonylContact O-C 3.46Å; I149-P176 WeakPolarHBondContact O-CA 3.3Å; I149-V177 HydrophobicContact CB-CB 3.91Å; I149-V177 HydrophobicContact CB-CG2 3.89Å; I149-V177 HydrophobicContact CG2-CB 4.33Å; I149-V177 HydrophobicContact CG2-CG2 3.73Å; I149-V177 PolarHBondContact O-N 3.32Å; I149-P192 HydrophobicContact CG2-CB 3.4Å; I149-P192 HydrophobicContact CG2-CG 3.59Å; I149-F193 WeakPolarHBondContact CA-O 3.19Å; I149-F268 HydrophobicContact CD1-CB 3.57Å; I149-F268 HydrophobicContact CD1-CD1 3.78Å; I149-F268 HydrophobicContact CD1-CD2 3.24Å; I149-F268 HydrophobicContact CD1-CE1 4.21Å; I149-F268 HydrophobicContact CD1-CE2 3.7Å; I149-F268 HydrophobicContact CD1-CG 3.26Å; I149-F268 HydrophobicContact CD1-CZ 4.18Å; I149-F268 HydrophobicContact CG2-CE2 4.29Å; I149-F268 HydrophobicContact CG2-CZ 4.27Å; I149-A318 HydrophobicContact CD1-CB 3.92Å
150E93.4Very high78.6Confident57 Ų5765.1 Ų65.127%0.26634%0.343SS..EExtended strand (participates in β ladder)trans-134120.5-169.7-79.1-177.3-179.800109.9V174 P192 F193E150-V174 HydrophobicContact CB-CG1 3.46Å; E150-V174 VanDerWaalsContact CB-CG1 3.46Å; E150-V174 HydrophobicContact CG-CG1 3.66Å; E150-P192 CarbonylContact O-C 3.59Å; E150-P192 WeakPolarHBondContact O-CA 3.24Å; E150-P192 WeakPolarHBondContact O-CB 3.16Å; E150-F193 HydrophobicContact CB-CB 4.31Å; E150-F193 HydrophobicContact CB-CD1 4.47Å; E150-F193 PolarHBondContact N-O 2.69Å; E150-F193 PolarHBondContact O-N 2.83Å
151Y92.9Very high76.2Confident1 Ų167.9 Ų67.90%0.00437%0.366CS..EExtended strand (participates in β ladder)trans-91.1129.9171.4-76.6-78.7000110.2K153 Q175 V177 I183 A188 N190 P192 Y252 F320Y151-K153 PolarHBondContact O-N 3.34Å; Y151-Q175 PolarHBondContact N-O 3.15Å; Y151-Q175 PolarHBondContact O-N 2.9Å; Y151-V177 HydrophobicContact CD2-CG2 3.77Å; Y151-V177 HydrophobicContact CE2-CG2 3.69Å; Y151-I183 HydrophobicContact CD2-CD1 4.04Å; Y151-I183 HydrophobicContact CD2-CG2 4.4Å; Y151-I183 HydrophobicContact CE2-CD1 4.3Å; Y151-A188 HydrophobicContact CD1-CB 4.09Å; Y151-A188 HydrophobicContact CE1-CB 3.68Å; Y151-A188 HydrophobicContact CE2-CB 4.27Å; Y151-N190 WeakPolarHBondContact CE1-O 3.45Å; Y151-P192 HydrophobicContact CD1-CB 3.77Å; Y151-P192 HydrophobicContact CD2-CB 4.2Å; Y151-P192 HydrophobicContact CE1-CB 3.63Å; Y151-P192 HydrophobicContact CE1-CG 3.88Å; Y151-P192 HydrophobicContact CE2-CB 4.06Å; Y151-P192 HydrophobicContact CE2-CG 4.39Å; Y151-P192 HydrophobicContact CG-CB 4.07Å; Y151-Y252 WeakPolarHBondContact CE1-OH 3.28Å; Y151-Y252 PolarHBondContact OH-OH 3.47Å; Y151-F320 AromaticContact CE2-CE1 3.95Å; Y151-F320 HydrophobicContact CE2-CE1 3.95Å; Y151-F320 HydrophobicContact CE2-CZ 4.2Å
152L88.7Confident73.9Confident106 Ų10675.1 Ų75.156%0.55541%0.405SS*.EExtended strand (participates in β ladder)trans-78.8120.5172-64.9170.1000108.4P154 V174L152-P154 WeakPolarHBondContact O-CD 3.48Å; L152-V174 HydrophobicContact CD2-CG2 4.19Å
153K78.7Confident71.4Confident74 Ų7484.5 Ų84.532%0.32245%0.447SS..PPolyproline II helixtrans-74.2122.9171.6-165-178.1174.4-163.50107.8Y151 D155 D156 Y173 I187Y151-K153 PolarHBondContact O-N 3.34Å; K153-D155 PolarHBondContact O-N 2.95Å; K153-D156 WeakPolarHBondContact CE-OD2 3.47Å; K153-D156 IonicContact NZ-OD1 3.68Å; K153-D156 IonicContact NZ-OD2 3.58Å; K153-D156 PolarHBondContact NZ-OD2 2.96Å; K153-Y173 WeakPolarHBondContact CB-O 3.34Å; K153-Y173 PolarHBondContact N-O 2.94Å; K153-I187 HydrophobicContact CG-CG1 4.38Å
154P66.7Low68.7Low67 Ų6787.8 Ų87.844%0.43548%0.481SS..PPolyproline II helixtrans-60.6131.4168.325.2-30000107.6L152 D156L152-P154 WeakPolarHBondContact O-CD 3.48Å; P154-D156 PolarHBondContact O-N 2.85Å; P154-D156 VanDerWaalsContact O-N 3.07Å
155D60.5Low66.3Low113 Ų11395.3 Ų95.360%0.60451%0.51SS*.PPolyproline II helixtrans-50.4120.2177.7-67.5-36.3000108K153 E157K153-D155 PolarHBondContact O-N 2.95Å; D155-E157 PolarHBondContact O-N 3.05Å
156D55.2Low63.5Low101 Ų101100 Ų10054%0.5454%0.542SS..PPolyproline II helixtrans-57.4134166.6-65.3-45.2000105.8K153 P154K153-D156 WeakPolarHBondContact CE-OD2 3.47Å; K153-D156 IonicContact NZ-OD1 3.68Å; K153-D156 IonicContact NZ-OD2 3.58Å; K153-D156 PolarHBondContact NZ-OD2 2.96Å; P154-D156 PolarHBondContact O-N 2.85Å; P154-D156 VanDerWaalsContact O-N 3.07Å
157E48.6Very low60.9Low171 Ų171105.2 Ų105.280%0.79957%0.57SS**  trans-38.5127.8170.8-75.7-75.3151.300108.5D155 D159D155-E157 PolarHBondContact O-N 3.05Å; E157-D159 PolarHBondContact O-N 3.09Å
158P42.2Very low58.6Low104 Ų104114 Ų11468%0.67561%0.611SS**  trans-53.8116-17122.7-32.9000108.1I160P158-I160 PolarHBondContact O-N 3.23Å
159D42.8Very low56.5Low143 Ų143121.4 Ų121.477%0.76564%0.636SS**  trans-46.7118.4172.5-78.9-38.2000106.9E157 S161E157-D159 PolarHBondContact O-N 3.09Å; D159-S161 PolarHBondContact O-N 2.87Å
160I49.7Very low54.3Low184 Ų184126.2 Ų126.294%0.94467%0.669SS**THydrogen-bonded Turntrans-69.953.2-175.5-58.4163.8000109.8P158P158-I160 PolarHBondContact O-N 3.23Å
161S44.9Very low52.3Low90 Ų90128.1 Ų128.163%0.62969%0.685SS**THydrogen-bonded Turntrans-136.23.8-172.264.50000116.1D159D159-S161 PolarHBondContact O-N 2.87Å
162D45.4Very low51.2Low154 Ų154132.5 Ų132.582%0.82471%0.712SS**  trans-135.879.9168.8-85.5-33.9000112.5G164D162-G164 PolarHBondContact O-N 3.39Å
163E42.5Very low50.8Low211 Ų211135 Ų13599%0.98672%0.715SS**THydrogen-bonded Turntrans-64.897.3157-69.5-169.5170.100109
164G40.4Very low51.3Low69 Ų69134.4 Ų134.471%0.71172%0.717SS**THydrogen-bonded Turntrans144.325.8157.900000120.7D162D162-G164 PolarHBondContact O-N 3.39Å
165K42.2Very low52.5Low208 Ų208134.4 Ų134.490%0.90471%0.711SS**  trans-132.1111.4161.4-82-172.5179175.70113.2
166C31.9Very low54Low112 Ų112130.9 Ų130.976%0.75770%0.695SS**  trans-74.7133.7175.1-46.90000111
167N36.5Very low56Low156 Ų156126.6 Ų126.683%0.83467%0.672SS**  trans65.272.3150.4-51.3-14.9000118.1
168E43.1Very low58Low191 Ų191124.8 Ų124.889%0.89366%0.662SS**  trans-127.1134.9152.7-70.8-178.5172.500108.4S170E168-S170 PolarHBondContact O-N 3.41Å
169R46.3Very low60.4Low237 Ų237121.7 Ų121.789%0.89464%0.643SS**  trans-37127.7-168.9-71166.8178.2157.5-1.4112.2T171R169-T171 PolarHBondContact O-N 2.95Å
170S47.2Very low62.8Low101 Ų101115.4 Ų115.471%0.70661%0.612SS**  trans-44.3100.9167.4-49.50000109E168 T172E168-S170 PolarHBondContact O-N 3.41Å; S170-T172 VanDerWaalsContact C-N 3.31Å; S170-T172 PolarHBondContact O-N 3.28Å
171T52.5Low65Low97 Ų97108.2 Ų108.260%0.59558%0.575SS**  trans-75.291.5179.1420000106.4R169 Y173R169-T171 PolarHBondContact O-N 2.95Å; T171-Y173 WeakPolarHBondContact O-CD2 3.4Å; T171-Y173 PolarHBondContact O-N 3.48Å
172T69.1Low67.5Low93 Ų93108.6 Ų108.657%0.57157%0.57SS**  trans-59.9107.5172.432.70000108.1S170 V174S170-T172 VanDerWaalsContact C-N 3.31Å; S170-T172 PolarHBondContact O-N 3.28Å; T172-V174 PolarHBondContact O-N 2.91Å
173Y80.8Confident69.8Low160 Ų160101.4 Ų101.463%0.62753%0.531SS*.  trans-71.3122.1174.9-77.6-84.4000108.7K153 T171K153-Y173 WeakPolarHBondContact CB-O 3.34Å; K153-Y173 PolarHBondContact N-O 2.94Å; T171-Y173 WeakPolarHBondContact O-CD2 3.4Å; T171-Y173 PolarHBondContact O-N 3.48Å
174V88.5Confident72.2Confident60 Ų6093 Ų9336%0.36450%0.496SS..EExtended strand (participates in β ladder)trans-107.5130.4178.1-172.40000108.5E150 L152 T172 P176E150-V174 HydrophobicContact CB-CG1 3.46Å; E150-V174 VanDerWaalsContact CB-CG1 3.46Å; E150-V174 HydrophobicContact CG-CG1 3.66Å; L152-V174 HydrophobicContact CD2-CG2 4.19Å; T172-V174 PolarHBondContact O-N 2.91Å; V174-P176 WeakPolarHBondContact O-CD 3.32Å
175Q91.7Very high74.8Confident68 Ų6889.8 Ų89.832%0.31846%0.462SS..EExtended strand (participates in β ladder)trans-103.7102.5175.6-17561.455.300109.2Y151 I183 I187Y151-Q175 PolarHBondContact N-O 3.15Å; Y151-Q175 PolarHBondContact O-N 2.9Å; Q175-I183 HydrophobicContact CG-CD1 4.41Å; Q175-I183 HydrophobicContact CG-CG1 4.25Å; Q175-I183 HydrophobicContact CG-CG2 4.45Å; Q175-I187 HydrophobicContact CB-CG2 4.04Å; Q175-I187 HydrophobicContact CG-CG2 4.46Å
176P93.8Very high77.2Confident39 Ų3983.5 Ų83.525%0.25344%0.438SS..EExtended strand (participates in β ladder)trans-71.8147.9177.428.8-34.6000111.5I149 V174 F178 N181I149-P176 CarbonylContact O-C 3.46Å; I149-P176 WeakPolarHBondContact O-CA 3.3Å; V174-P176 WeakPolarHBondContact O-CD 3.32Å; P176-F178 HydrophobicContact CB-CE1 4.45Å; P176-F178 HydrophobicContact CB-CE2 4.09Å; P176-F178 HydrophobicContact CB-CZ 3.96Å; P176-F178 HydrophobicContact CG-CD2 4.45Å; P176-F178 HydrophobicContact CG-CE2 3.59Å; P176-F178 HydrophobicContact CG-CZ 3.69Å; P176-N181 PolarHBondContact O-ND2 2.71Å
177V95.3Very high80Confident10 Ų1079.4 Ų79.46%0.06141%0.409CS..EExtended strand (participates in β ladder)trans-94123.9169.7179.50000108.1I149 Y151 I183 F268 A318 F320I149-V177 HydrophobicContact CB-CB 3.91Å; I149-V177 HydrophobicContact CB-CG2 3.89Å; I149-V177 HydrophobicContact CG2-CB 4.33Å; I149-V177 HydrophobicContact CG2-CG2 3.73Å; I149-V177 PolarHBondContact O-N 3.32Å; Y151-V177 HydrophobicContact CD2-CG2 3.77Å; Y151-V177 HydrophobicContact CE2-CG2 3.69Å; V177-I183 HydrophobicContact CB-CD1 4.33Å; V177-I183 HydrophobicContact CG2-CD1 3.6Å; V177-F268 HydrophobicContact CG1-CD2 4.49Å; V177-F268 HydrophobicContact CG1-CE2 4.47Å; V177-A318 HydrophobicContact CG1-CB 4.44Å; V177-F320 HydrophobicContact CG1-CB 4.13Å; V177-F320 HydrophobicContact CG1-CD1 3.98Å; V177-F320 HydrophobicContact CG2-CD1 4.23Å
178F92.5Very high82.8Confident133 Ų13372 Ų7258%0.58337%0.369SS*.  trans-107.8-134.8174.8-65.1-65.8000109.7P176 N181 F319P176-F178 HydrophobicContact CB-CE1 4.45Å; P176-F178 HydrophobicContact CB-CE2 4.09Å; P176-F178 HydrophobicContact CB-CZ 3.96Å; P176-F178 HydrophobicContact CG-CD2 4.45Å; P176-F178 HydrophobicContact CG-CE2 3.59Å; P176-F178 HydrophobicContact CG-CZ 3.69Å; F178-N181 HydrophobicContact CB-CB 4.48Å; F178-N181 PolarHBondContact N-OD1 3.32Å; F178-F319 CarbonylContact C-O 3.53Å; F178-F319 PolarHBondContact O-N 3.22Å
179S92.3Very high85.1Confident40 Ų4065.7 Ų65.728%0.2834%0.341SS..EExtended strand (participates in β ladder)trans-118.288.7176.5-57.50000109.4
180G93.4Very high87.2Confident11 Ų1159.3 Ų59.311%0.11332%0.324CS..EExtended strand (participates in β ladder)trans9215.2176.700000115.2F319G180-F319 PolarHBondContact N-O 3.34Å
181N95.3Very high89.3Confident32 Ų3258 Ų5817%0.17131%0.313CS..EExtended strand (participates in β ladder)trans-69.3159.4172.365.7-45000111.6P176 F178 F320 Q321P176-N181 PolarHBondContact O-ND2 2.71Å; F178-N181 HydrophobicContact CB-CB 4.48Å; F178-N181 PolarHBondContact N-OD1 3.32Å; N181-F320 CarbonylContact O-C 3.53Å; N181-F320 WeakPolarHBondContact O-CA 3.15Å; N181-F320 WeakPolarHBondContact O-CB 3.32Å; N181-Q321 PolarHBondContact O-N 2.99Å
182L96.2Very high91.3Very high99 Ų9953.8 Ų53.852%0.51829%0.287SS..EExtended strand (participates in β ladder)trans-93.1126.6-179.4-169.6145.2000110.8Y263 Q321 V323L182-Y263 HydrophobicContact CD1-CD1 3.99Å; L182-Y263 HydrophobicContact CD1-CE1 3.48Å; L182-Y263 VanDerWaalsContact CD1-CE1 3.48Å; L182-Q321 CarbonylContact C-O 3.56Å; L182-Q321 WeakPolarHBondContact CA-O 3.3Å; L182-V323 HydrophobicContact CD1-CG2 4.21Å
183I95Very high92.3Very high2 Ų251.6 Ų51.61%0.0127%0.27CS..  trans-128.8128.1176.2-55.5-179.8000107.8Y151 Q175 V177 I187 A188 F320 Q321 S322Y151-I183 HydrophobicContact CD2-CD1 4.04Å; Y151-I183 HydrophobicContact CD2-CG2 4.4Å; Y151-I183 HydrophobicContact CE2-CD1 4.3Å; Q175-I183 HydrophobicContact CG-CD1 4.41Å; Q175-I183 HydrophobicContact CG-CG1 4.25Å; Q175-I183 HydrophobicContact CG-CG2 4.45Å; V177-I183 HydrophobicContact CB-CD1 4.33Å; V177-I183 HydrophobicContact CG2-CD1 3.6Å; I183-I187 HydrophobicContact CG2-CB 4.22Å; I183-I187 HydrophobicContact CG2-CG2 4.25Å; I183-A188 HydrophobicContact CG2-CB 4.33Å; I183-F320 HydrophobicContact CB-CD2 3.63Å; I183-F320 HydrophobicContact CB-CE2 4.04Å; I183-F320 HydrophobicContact CB-CG 4.25Å; I183-F320 HydrophobicContact CD1-CB 3.76Å; I183-F320 HydrophobicContact CD1-CD1 4.19Å; I183-F320 HydrophobicContact CD1-CD2 4.03Å; I183-F320 HydrophobicContact CD1-CG 3.75Å; I183-F320 HydrophobicContact CG1-CB 4Å; I183-F320 HydrophobicContact CG1-CD2 4.03Å; I183-F320 HydrophobicContact CG1-CG 4.14Å; I183-Q321 PolarHBondContact N-O 2.97Å; I183-S322 WeakPolarHBondContact O-CA 3.32Å; I183-S322 WeakPolarHBondContact O-CB 3.45Å
184S93.4Very high92.8Very high36 Ų3644.4 Ų44.425%0.25224%0.243SC..  trans-72.1147.817859.50000111N186 I187 A188S184-N186 PolarHBondContact O-N 3.01Å; S184-I187 PolarHBondContact O-N 3.24Å; S184-I187 VanDerWaalsContact O-N 3.14Å; S184-I187 VanDerWaalsContact OG-CD1 3.3Å; S184-I187 WeakPolarHBondContact OG-CD1 3.46Å; S184-I187 VanDerWaalsContact OG-CG1 3.32Å; S184-I187 WeakPolarHBondContact OG-CG1 3.48Å; S184-A188 PolarHBondContact O-N 3.48Å
185A93.5Very high92.8Very high0 Ų043.6 Ų43.60%024%0.236CC..THydrogen-bonded Turntrans-60.6-31.218000000112.3A188 M189 P255 D325 V328A185-A188 CarbonylContact O-C 3.6Å; A185-A188 PolarHBondContact O-N 3.24Å; A185-M189 WeakPolarHBondContact O-CG 3.45Å; A185-M189 PolarHBondContact O-N 3.4Å; A185-P255 HydrophobicContact CB-CG 4.25Å; A185-D325 HydrophobicContact CB-CB 4.48Å; A185-V328 HydrophobicContact CB-CG2 3.53Å
186N92.3Very high92.6Very high76 Ų7640.6 Ų40.641%0.40622%0.222SC..THydrogen-bonded Turntrans-60.7-43.8175.4-169.822.9000113S184 A188 M189 D325 S327S184-N186 PolarHBondContact O-N 3.01Å; N186-A188 VanDerWaalsContact C-N 3.29Å; N186-A188 PolarHBondContact O-N 3.21Å; N186-M189 WeakPolarHBondContact O-CB 3.43Å; N186-M189 VanDerWaalsContact O-CG 3.24Å; N186-M189 WeakPolarHBondContact O-CG 3.37Å; N186-M189 PolarHBondContact O-N 3.39Å; N186-D325 WeakPolarHBondContact CB-OD2 3.42Å; N186-S327 WeakPolarHBondContact CA-OG 3.06Å; N186-S327 PolarHBondContact N-OG 3.11Å; N186-S327 VanDerWaalsContact N-OG 3.16Å
187I91.7Very high92.1Very high26 Ų2642.8 Ų42.813%0.13324%0.238CC..G310 helixtrans-66.7-36.7177.9-63.8168.8000110.5K153 Q175 I183 S184 M189K153-I187 HydrophobicContact CG-CG1 4.38Å; Q175-I187 HydrophobicContact CB-CG2 4.04Å; Q175-I187 HydrophobicContact CG-CG2 4.46Å; I183-I187 HydrophobicContact CG2-CB 4.22Å; I183-I187 HydrophobicContact CG2-CG2 4.25Å; S184-I187 PolarHBondContact O-N 3.24Å; S184-I187 VanDerWaalsContact O-N 3.14Å; S184-I187 VanDerWaalsContact OG-CD1 3.3Å; S184-I187 WeakPolarHBondContact OG-CD1 3.46Å; S184-I187 VanDerWaalsContact OG-CG1 3.32Å; S184-I187 WeakPolarHBondContact OG-CG1 3.48Å; I187-M189 VanDerWaalsContact C-N 3.27Å; I187-M189 PolarHBondContact O-N 3.24Å
188A94.1Very high91.5Very high0 Ų044.8 Ų44.80%026%0.256CS..G310 helixtrans-86.920.7-178.700000114.2Y151 I183 S184 A185 N186 N190 Y252 P255 F320Y151-A188 HydrophobicContact CD1-CB 4.09Å; Y151-A188 HydrophobicContact CE1-CB 3.68Å; Y151-A188 HydrophobicContact CE2-CB 4.27Å; I183-A188 HydrophobicContact CG2-CB 4.33Å; S184-A188 PolarHBondContact O-N 3.48Å; A185-A188 CarbonylContact O-C 3.6Å; A185-A188 PolarHBondContact O-N 3.24Å; N186-A188 VanDerWaalsContact C-N 3.29Å; N186-A188 PolarHBondContact O-N 3.21Å; A188-N190 VanDerWaalsContact C-N 3.33Å; A188-N190 PolarHBondContact O-N 3.45Å; A188-Y252 PolarHBondContact O-OH 2.98Å; A188-P255 HydrophobicContact CB-CG 3.5Å; A188-P255 VanDerWaalsContact CB-CG 3.5Å; A188-P255 VanDerWaalsContact O-CD 3.28Å; A188-P255 WeakPolarHBondContact O-CD 3.27Å; A188-F320 HydrophobicContact CB-CZ 4.48Å
189M91.4Very high91.2Very high60 Ų6038.6 Ų38.630%0.29623%0.23SC..G310 helixtrans-67-34.4178.3-76.7-64.8-74.400113.2A185 N186 I187 P254 Y331A185-M189 WeakPolarHBondContact O-CG 3.45Å; A185-M189 PolarHBondContact O-N 3.4Å; N186-M189 WeakPolarHBondContact O-CB 3.43Å; N186-M189 VanDerWaalsContact O-CG 3.24Å; N186-M189 WeakPolarHBondContact O-CG 3.37Å; N186-M189 PolarHBondContact O-N 3.39Å; I187-M189 VanDerWaalsContact C-N 3.27Å; I187-M189 PolarHBondContact O-N 3.24Å; M189-P254 HydrophobicContact SD-CB 4.04Å; M189-P254 HydrophobicContact SD-CG 4.23Å; M189-Y331 HydrophobicContact CE-CD2 4.25Å
190N91.3Very high90.9Very high103 Ų10339.8 Ų39.855%0.55124%0.236SC*.SBendtrans-100.5154.6178.9-65.9-32.3000110.4Y151 A188 Y252Y151-N190 WeakPolarHBondContact CE1-O 3.45Å; A188-N190 VanDerWaalsContact C-N 3.33Å; A188-N190 PolarHBondContact O-N 3.45Å; N190-Y252 VanDerWaalsContact C-CE1 3.48Å
191P92.2Very high90.5Very high72 Ų7243.7 Ų43.747%0.46826%0.255SS..PPolyproline II helixtrans-59.6140.117624.7-33.9000110.7W230 Y252P191-W230 HydrophobicContact CB-CH2 4.47Å; P191-W230 HydrophobicContact CB-CZ2 4.38Å; P191-Y252 HydrophobicContact CB-CD1 4.1Å; P191-Y252 HydrophobicContact CB-CD2 4.03Å; P191-Y252 HydrophobicContact CB-CG 3.77Å
192P93Very high90Very high9 Ų949.2 Ų49.26%0.05828%0.284CS..PPolyproline II helixtrans-74.2157.3179.730.5-33.2000111.6I149 E150 Y151 W230 F268I149-P192 HydrophobicContact CG2-CB 3.4Å; I149-P192 HydrophobicContact CG2-CG 3.59Å; E150-P192 CarbonylContact O-C 3.59Å; E150-P192 WeakPolarHBondContact O-CA 3.24Å; E150-P192 WeakPolarHBondContact O-CB 3.16Å; Y151-P192 HydrophobicContact CD1-CB 3.77Å; Y151-P192 HydrophobicContact CD2-CB 4.2Å; Y151-P192 HydrophobicContact CE1-CB 3.63Å; Y151-P192 HydrophobicContact CE1-CG 3.88Å; Y151-P192 HydrophobicContact CE2-CB 4.06Å; Y151-P192 HydrophobicContact CE2-CG 4.39Å; Y151-P192 HydrophobicContact CG-CB 4.07Å; P192-W230 HydrophobicContact CG-CZ3 3.93Å; P192-F268 HydrophobicContact CG-CE1 4.35Å; P192-F268 HydrophobicContact CG-CZ 4.13Å
193F91Very high89.8Confident47 Ų4747.7 Ų47.721%0.20627%0.273CS..EExtended strand (participates in β ladder)trans-75.6138.2164.1-179.9-110.4000110.1I149 E150 N195 V242I149-F193 WeakPolarHBondContact CA-O 3.19Å; E150-F193 HydrophobicContact CB-CB 4.31Å; E150-F193 HydrophobicContact CB-CD1 4.47Å; E150-F193 PolarHBondContact N-O 2.69Å; E150-F193 PolarHBondContact O-N 2.83Å; F193-N195 HydrophobicContact CE1-CB 4.04Å; F193-V242 HydrophobicContact CD1-CG1 4.01Å; F193-V242 HydrophobicContact CD2-CG1 4.17Å; F193-V242 HydrophobicContact CE1-CG1 3.34Å; F193-V242 HydrophobicContact CE2-CB 4.3Å; F193-V242 HydrophobicContact CE2-CG1 3.61Å; F193-V242 WeakPolarHBondContact CE2-O 3.42Å; F193-V242 HydrophobicContact CG-CG1 4.39Å; F193-V242 HydrophobicContact CZ-CB 3.95Å; F193-V242 HydrophobicContact CZ-CG1 3.14Å
194I90.6Very high89.6Confident10 Ų1050.2 Ų50.25%0.05128%0.283CS..EExtended strand (participates in β ladder)trans-119.4124.9-179.5-52.6148.6000108.7F147 L196 L207 W230 V244F147-I194 HydrophobicContact CD2-CG2 4.33Å; I194-L196 HydrophobicContact CG2-CD2 4.15Å; I194-L196 HydrophobicContact CG2-CG 4.08Å; I194-L207 HydrophobicContact CD1-CD2 3.28Å; I194-L207 HydrophobicContact CG1-CD2 3.89Å; I194-W230 HydrophobicContact CD1-CH2 3.44Å; I194-W230 VanDerWaalsContact CD1-CH2 3.44Å; I194-W230 HydrophobicContact CD1-CZ3 3.61Å; I194-W230 HydrophobicContact CG1-CH2 4.29Å; I194-W230 HydrophobicContact CG1-CZ3 4.2Å; I194-V244 HydrophobicContact CB-CG2 3.96Å; I194-V244 HydrophobicContact CG2-CG2 4.37Å; I194-V244 WeakPolarHBondContact O-CG2 3.15Å
195N88.9Confident89.7Confident43 Ų4348.5 Ų48.523%0.2327%0.271CS..EExtended strand (participates in β ladder)trans-105.2113.4174.2-176.85.6000110.1E148 F193 S197E148-N195 HydrophobicContact CB-CB 4.14Å; E148-N195 PolarHBondContact N-O 2.91Å; E148-N195 VanDerWaalsContact N-O 3.13Å; E148-N195 PolarHBondContact O-N 3.05Å; E148-N195 PolarHBondContact OE2-ND2 2.95Å; F193-N195 HydrophobicContact CE1-CB 4.04Å; N195-S197 PolarHBondContact ND2-OG 3.25Å; N195-S197 WeakPolarHBondContact OD1-CB 3.47Å; N195-S197 PolarHBondContact OD1-N 2.97Å; N195-S197 PolarHBondContact OD1-OG 3.03Å
196L87.4Confident89.7Confident5 Ų548.5 Ų48.53%0.02627%0.271CS..  trans-10416.9177.1-65.2176.5000113F147 I194 A198 A199 L235 S237 V244 L270F147-L196 HydrophobicContact CB-CD2 3.74Å; F147-L196 HydrophobicContact CG-CD2 4.46Å; I194-L196 HydrophobicContact CG2-CD2 4.15Å; I194-L196 HydrophobicContact CG2-CG 4.08Å; L196-A198 PolarHBondContact O-N 3.44Å; L196-A198 VanDerWaalsContact O-N 3.15Å; L196-A199 HydrophobicContact CB-CB 4.38Å; L196-A199 WeakPolarHBondContact O-CB 3.41Å; L196-A199 PolarHBondContact O-N 3.1Å; L196-L235 HydrophobicContact CD1-CB 4.17Å; L196-S237 PolarHBondContact O-OG 3.19Å; L196-V244 HydrophobicContact CD1-CG1 3.78Å; L196-V244 HydrophobicContact CD1-CG2 4.27Å; L196-V244 HydrophobicContact CG-CG2 4.45Å; L196-L270 HydrophobicContact CD2-CD1 4.06Å; L196-L270 HydrophobicContact CD2-CD2 3.82Å
197S84Confident89.9Confident84 Ų8445 Ų4559%0.58725%0.252SS*.THydrogen-bonded Turntrans-58.1-28.5-177.454.20000114.5N195N195-S197 PolarHBondContact ND2-OG 3.25Å; N195-S197 WeakPolarHBondContact OD1-CB 3.47Å; N195-S197 PolarHBondContact OD1-N 2.97Å; N195-S197 PolarHBondContact OD1-OG 3.03Å
198A82.9Confident90.1Very high52 Ų5243.7 Ų43.743%0.4325%0.246SC..THydrogen-bonded Turntrans-82.9-10.3176.600000113.8N146 L196N146-A198 HydrophobicContact CB-CB 4.45Å; L196-A198 PolarHBondContact O-N 3.44Å; L196-A198 VanDerWaalsContact O-N 3.15Å
199A85.2Confident90.2Very high4 Ų443.7 Ų43.73%0.03325%0.246CC..SBendtrans-85.6147.2-178.800000111.5V145 L196 N201 W205V145-A199 HydrophobicContact CG1-CB 3.77Å; L196-A199 HydrophobicContact CB-CB 4.38Å; L196-A199 WeakPolarHBondContact O-CB 3.41Å; L196-A199 PolarHBondContact O-N 3.1Å; A199-N201 PolarHBondContact O-N 2.71Å; A199-N201 PolarHBondContact O-OD1 3.22Å; A199-W205 HydrophobicContact CB-CZ2 3.9Å
200P85.9Confident90.4Very high64 Ų6440.9 Ų40.942%0.41623%0.232SC..  trans-61.5128.7175.3-15.821.4000112.9N202 F203 W205P200-N202 PolarHBondContact O-N 3.24Å; P200-F203 HydrophobicContact CB-CD2 4.16Å; P200-W205 HydrophobicContact CG-CZ2 4.3Å; P200-W205 PolarHBondContact O-NE1 3.11Å
201N84.2Confident90.5Very high94 Ų9436 Ų3650%0.50321%0.205SC..THydrogen-bonded Turntrans-72.4-10.4-176.1-62.1-4.9000114.8A199 F203 S237A199-N201 PolarHBondContact O-N 2.71Å; A199-N201 PolarHBondContact O-OD1 3.22Å; N201-F203 VanDerWaalsContact C-N 3.31Å; N201-S237 VanDerWaalsContact OD1-CB 3.31Å; N201-S237 WeakPolarHBondContact OD1-CB 3.34Å; N201-S237 PolarHBondContact OD1-OG 2.95Å
202N86.8Confident90.5Very high147 Ų14733.8 Ų33.879%0.78619%0.191SC*.THydrogen-bonded Turntrans-80.3-14.7-174.9-62.7-10.4000113.3P200P200-N202 PolarHBondContact O-N 3.24Å
203F90.2Very high90.4Very high68 Ų6835.3 Ų35.330%0.29820%0.199SC..SBendtrans-112.6154.6-175.8-60.8-78.7000110.8P200 N201 W205 R272P200-F203 HydrophobicContact CB-CD2 4.16Å; N201-F203 VanDerWaalsContact C-N 3.31Å; F203-W205 HydrophobicContact CB-CZ2 4.13Å; F203-W205 PolarHBondContact O-NE1 3.03Å; F203-R272 HydrophobicContact CB-CG 3.78Å; F203-R272 HydrophobicContact CD1-CG 4.14Å; F203-R272 HydrophobicContact CD2-CG 4.41Å; F203-R272 HydrophobicContact CG-CG 3.86Å
204Y92.4Very high90.2Very high55 Ų5533.1 Ų33.122%0.21619%0.189CC..EExtended strand (participates in β ladder)trans-89.8152.7166.5-65.9-91.3000109.6N234 L235 Q236 Q273 K277Y204-N234 HydrophobicContact CD1-CB 4.36Å; Y204-L235 WeakPolarHBondContact CA-O 3.37Å; Y204-Q236 HydrophobicContact CD1-CG 3.56Å; Y204-Q236 VanDerWaalsContact CE1-CD 3.48Å; Y204-Q236 HydrophobicContact CE1-CG 3.49Å; Y204-Q236 VanDerWaalsContact CE1-CG 3.49Å; Y204-Q236 PolarHBondContact OH-NE2 3.47Å; Y204-Q273 WeakPolarHBondContact O-CB 3.49Å; Y204-Q273 PolarHBondContact O-N 3.11Å; Y204-K277 HydrophobicContact CD1-CG 3.91Å; Y204-K277 HydrophobicContact CD2-CG 4.2Å; Y204-K277 HydrophobicContact CE1-CD 4.02Å; Y204-K277 HydrophobicContact CE1-CG 3.51Å; Y204-K277 HydrophobicContact CE2-CG 3.89Å; Y204-K277 HydrophobicContact CG-CG 4.22Å; Y204-K277 WeakPolarHBondContact OH-CE 3.5Å
205W94Very high89.8Confident0 Ų033.5 Ų33.50%019%0.192CC..EExtended strand (participates in β ladder)trans-123.8148.4-177-52.387.2000111.1V145 A199 P200 F203 N234 L235 L270 Y271 R272 A315V145-W205 HydrophobicContact CG1-CH2 4.41Å; V145-W205 HydrophobicContact CG2-CH2 3.89Å; V145-W205 HydrophobicContact CG2-CZ3 4.12Å; A199-W205 HydrophobicContact CB-CZ2 3.9Å; P200-W205 HydrophobicContact CG-CZ2 4.3Å; P200-W205 PolarHBondContact O-NE1 3.11Å; F203-W205 HydrophobicContact CB-CZ2 4.13Å; F203-W205 PolarHBondContact O-NE1 3.03Å; W205-N234 PolarHBondContact O-N 3.42Å; W205-N234 VanDerWaalsContact O-N 3.13Å; W205-L235 HydrophobicContact CB-CB 4.05Å; W205-L235 PolarHBondContact N-O 3.02Å; W205-L235 WeakPolarHBondContact O-CB 3.12Å; W205-L235 PolarHBondContact O-N 3.19Å; W205-L270 HydrophobicContact CB-CD1 3.86Å; W205-L270 HydrophobicContact CB-CG 4.41Å; W205-L270 HydrophobicContact CD2-CD2 4.28Å; W205-L270 HydrophobicContact CD2-CG 4.47Å; W205-L270 HydrophobicContact CE3-CD2 3.79Å; W205-L270 HydrophobicContact CE3-CG 3.85Å; W205-L270 HydrophobicContact CZ3-CD2 4.28Å; W205-Y271 CarbonylContact C-O 3.4Å; W205-Y271 VanDerWaalsContact CA-O 3.28Å; W205-Y271 WeakPolarHBondContact CA-O 3.46Å; W205-R272 HydrophobicContact CE3-CB 3.93Å; W205-R272 HydrophobicContact CE3-CG 4.22Å; W205-R272 HydrophobicContact CH2-CB 4.04Å; W205-R272 HydrophobicContact CH2-CG 3.76Å; W205-R272 HydrophobicContact CZ2-CG 4.3Å; W205-R272 HydrophobicContact CZ3-CB 3.48Å; W205-R272 VanDerWaalsContact CZ3-CB 3.48Å; W205-R272 HydrophobicContact CZ3-CG 3.71Å; W205-A315 HydrophobicContact CZ3-CB 3.68Å
206T95.1Very high89.1Confident0 Ų034.7 Ų34.70%020%0.198CC..EExtended strand (participates in β ladder)trans-118.4122.6169.1-63.80000108.4M231 V232 T233 Y271 Q273 L280T206-M231 HydrophobicContact CG2-CE 4.2Å; T206-V232 CarbonylContact C-O 3.58Å; T206-V232 WeakPolarHBondContact CA-O 3.39Å; T206-T233 HydrophobicContact CG2-CG2 3.72Å; T206-Y271 PolarHBondContact N-O 3.26Å; T206-Y271 PolarHBondContact O-N 2.83Å; T206-Q273 PolarHBondContact OG1-NE2 3Å; T206-L280 HydrophobicContact CG2-CD1 4.5Å
207L95.3Very high87.9Confident1 Ų137.5 Ų37.51%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-99.6134.6174.2-176.872.6000109.3F147 I194 W230 M231 V232 L235 F268 L270F147-L207 HydrophobicContact CE2-CD1 3.7Å; F147-L207 HydrophobicContact CZ-CD1 4.26Å; I194-L207 HydrophobicContact CD1-CD2 3.28Å; I194-L207 HydrophobicContact CG1-CD2 3.89Å; L207-W230 HydrophobicContact CD2-CE3 3.99Å; L207-W230 HydrophobicContact CD2-CH2 4.47Å; L207-W230 HydrophobicContact CD2-CZ3 3.73Å; L207-M231 WeakPolarHBondContact O-CA 3.3Å; L207-V232 PolarHBondContact N-O 3.26Å; L207-V232 PolarHBondContact O-N 3.36Å; L207-L235 HydrophobicContact CB-CD1 3.54Å; L207-F268 HydrophobicContact CD1-CB 4.2Å; L207-F268 HydrophobicContact CD1-CD1 4.24Å; L207-F268 HydrophobicContact CD2-CD1 4.33Å; L207-F268 HydrophobicContact CG-CD1 4.43Å; L207-L270 HydrophobicContact CB-CD1 4.41Å; L207-L270 HydrophobicContact CD1-CD1 4.22Å
208L95.7Very high86.5Confident0 Ų035.3 Ų35.30%021%0.213CC..EExtended strand (participates in β ladder)trans-132.2130.1177.2173.3141.9000109.4T210 I228 F268 I269 Y271 F299 T301 F304L208-T210 HydrophobicContact CD2-CG2 3.41Å; L208-T210 VanDerWaalsContact CD2-CG2 3.41Å; L208-T210 HydrophobicContact CG-CG2 4Å; L208-I228 HydrophobicContact CD1-CD1 3.65Å; L208-I228 HydrophobicContact CG-CD1 4.02Å; L208-F268 CarbonylContact O-C 3.55Å; L208-F268 VanDerWaalsContact O-CA 3.26Å; L208-F268 WeakPolarHBondContact O-CA 3.34Å; L208-I269 HydrophobicContact CD2-CB 4.35Å; L208-I269 HydrophobicContact CD2-CD1 3.79Å; L208-I269 HydrophobicContact CD2-CG1 4.15Å; L208-I269 PolarHBondContact N-O 2.89Å; L208-I269 PolarHBondContact O-N 3.2Å; L208-Y271 HydrophobicContact CB-CE2 4.32Å; L208-F299 HydrophobicContact CD1-CE1 3.67Å; L208-F299 HydrophobicContact CD1-CZ 3.82Å; L208-T301 HydrophobicContact CD1-CG2 4.42Å; L208-T301 HydrophobicContact CD2-CG2 3.69Å; L208-F304 HydrophobicContact CD1-CD1 4.38Å; L208-F304 HydrophobicContact CD1-CE1 4.32Å
209M96.3Very high84.8Confident0 Ų040.7 Ų40.70%024%0.235CC..EExtended strand (participates in β ladder)trans-112.2119.1174.8-173.9-173.4171.500109.3H229 W230 Y252 Y266 I267 F268 F320M209-H229 HydrophobicContact CB-CB 4.21Å; M209-H229 HydrophobicContact CE-CB 4.06Å; M209-H229 HydrophobicContact CG-CB 3.86Å; M209-H229 PolarHBondContact O-N 3.13Å; M209-H229 HydrophobicContact SD-CB 3.69Å; M209-W230 HydrophobicContact CB-CB 3.79Å; M209-W230 PolarHBondContact N-O 2.96Å; M209-W230 PolarHBondContact O-N 2.82Å; M209-W230 HydrophobicContact SD-CB 4.32Å; M209-Y252 HydrophobicContact CE-CE2 4.33Å; M209-Y252 HydrophobicContact SD-CD2 4.37Å; M209-Y252 HydrophobicContact SD-CE2 3.72Å; M209-Y266 HydrophobicContact CE-CD1 3.64Å; M209-Y266 HydrophobicContact CE-CE1 4.49Å; M209-Y266 HydrophobicContact CE-CG 4.22Å; M209-I267 CarbonylContact C-O 3.57Å; M209-I267 VanDerWaalsContact CA-O 3.27Å; M209-I267 WeakPolarHBondContact CA-O 3.42Å; M209-F268 HydrophobicContact CB-CD1 3.7Å; M209-F268 HydrophobicContact CB-CE1 3.6Å; M209-F268 HydrophobicContact CB-CZ 4.44Å; M209-F268 HydrophobicContact CE-CZ 4.02Å; M209-F268 HydrophobicContact CG-CD1 3.83Å; M209-F268 HydrophobicContact CG-CE1 3.43Å; M209-F268 VanDerWaalsContact CG-CE1 3.43Å; M209-F268 HydrophobicContact CG-CE2 4.45Å; M209-F268 HydrophobicContact CG-CG 4.48Å; M209-F268 HydrophobicContact CG-CZ 3.79Å; M209-F268 HydrophobicContact SD-CD1 4.46Å; M209-F268 HydrophobicContact SD-CE1 3.49Å; M209-F268 WeakPolarHBondContact SD-CE1 3.49Å; M209-F268 HydrophobicContact SD-CZ 3.55Å; M209-F268 VanDerWaalsContact SD-CZ 3.55Å; M209-F320 HydrophobicContact CE-CE1 4.11Å; M209-F320 HydrophobicContact CE-CZ 4.04Å
210T95.4Very high82.8Confident0 Ų043.3 Ų43.30%025%0.252CS..EExtended strand (participates in β ladder)trans-132.8152.6-177.244.60000112.8L208 Y227 I228 I267 F299 T301L208-T210 HydrophobicContact CD2-CG2 3.41Å; L208-T210 VanDerWaalsContact CD2-CG2 3.41Å; L208-T210 HydrophobicContact CG-CG2 4Å; T210-Y227 CarbonylContact C-O 3.56Å; T210-Y227 VanDerWaalsContact CA-O 3.3Å; T210-Y227 WeakPolarHBondContact CA-O 3.08Å; T210-I228 HydrophobicContact CG2-CB 4.2Å; T210-I228 HydrophobicContact CG2-CD1 4.34Å; T210-I228 HydrophobicContact CG2-CG1 4.12Å; T210-I267 PolarHBondContact N-O 2.81Å; T210-I267 PolarHBondContact O-N 3.13Å; T210-F299 HydrophobicContact CG2-CD1 4.07Å; T210-F299 HydrophobicContact CG2-CE1 4.43Å; T210-T301 HydrophobicContact CG2-CG2 4.08Å
211C94.6Very high80.8Confident0 Ų046.9 Ų46.90%028%0.277CS..EExtended strand (participates in β ladder)trans-121.8105174.1-175.40000108.7D213 E226 Y227 Y266C211-D213 PolarHBondContact O-N 2.85Å; C211-E226 WeakPolarHBondContact O-CA 3.46Å; C211-E226 WeakPolarHBondContact O-CB 3.41Å; C211-Y227 PolarHBondContact N-O 3.18Å; C211-Y227 PolarHBondContact O-N 3Å; C211-Y266 HydrophobicContact CB-CD1 4.15Å; C211-Y266 HydrophobicContact CB-CE1 3.93Å
212P92.2Very high79.1Confident26 Ų2648.7 Ų48.717%0.16928%0.283CS..THydrogen-bonded Turntrans-76.5-9.3177.630.8-37000113.8L134 E214 R265 I267L134-P212 HydrophobicContact CD2-CB 4.46Å; P212-E214 VanDerWaalsContact C-N 3.34Å; P212-R265 WeakPolarHBondContact CD-O 3.36Å; P212-I267 HydrophobicContact CG-CD1 3.68Å
213D91Very high77.3Confident42 Ų4248.2 Ų48.223%0.22529%0.288CS..THydrogen-bonded Turntrans-89.1-4.5-177-56-32.9000111.9C211 I216 H264 R265C211-D213 PolarHBondContact O-N 2.85Å; D213-I216 VanDerWaalsContact O-CG1 3.31Å; D213-I216 WeakPolarHBondContact O-CG1 3.33Å; D213-H264 HydrophobicContact CB-CB 4.4Å; D213-H264 WeakPolarHBondContact OD2-CA 3.44Å; D213-R265 IonicContact OD1-CZ 3.77Å; D213-R265 IonicContact OD1-NE 3.5Å; D213-R265 PolarHBondContact OD1-NE 3.36Å; D213-R265 IonicContact OD1-NH2 3.66Å; D213-R265 PolarHBondContact OD1-NH2 3.4Å; D213-R265 WeakPolarHBondContact OD2-CB 2.89Å; D213-R265 WeakPolarHBondContact OD2-CG 3.34Å; D213-R265 PolarHBondContact OD2-N 2.79Å; D213-R265 IonicContact OD2-NE 2.7Å; D213-R265 PolarHBondContact OD2-NE 2.86Å
214E86.5Confident75.6Confident0 Ų046.8 Ų46.80%029%0.287CS..  trans-128.5142.5178.3-65.3172.7-152.300110.9P212 E226 Y227 I256 Y258 H264 Y266P212-E214 VanDerWaalsContact C-N 3.34Å; E214-E226 CarbonylContact O-C 3.42Å; E214-E226 WeakPolarHBondContact O-CA 3.46Å; E214-Y227 HydrophobicContact CB-CD2 3.54Å; E214-Y227 HydrophobicContact CB-CE2 4Å; E214-Y227 HydrophobicContact CB-CG 4.11Å; E214-Y227 PolarHBondContact O-N 3.24Å; E214-Y227 VanDerWaalsContact O-N 3.11Å; E214-Y227 WeakPolarHBondContact OE2-CD2 2.99Å; E214-I256 WeakPolarHBondContact OE2-CG1 3.49Å; E214-Y258 HydrophobicContact CG-CE2 4.49Å; E214-H264 WeakPolarHBondContact CG-ND1 3.37Å; E214-H264 IonicContact OE1-CE1 3.86Å; E214-H264 PolarHBondContact OE1-CE1 3.16Å; E214-H264 IonicContact OE1-CG 3.87Å; E214-H264 IonicContact OE1-ND1 2.78Å; E214-H264 PolarHBondContact OE1-ND1 3Å; E214-Y266 PolarHBondContact OE1-OH 2.67Å; E214-Y266 VanDerWaalsContact OE1-OH 3.05Å
215P81.7Confident74.6Confident18 Ų1846.6 Ų46.612%0.11729%0.289CS..  cis-83.8143.23.427.5-27.4000114.4G217 N225 Y227 Q294P215-G217 PolarHBondContact O-N 3.42Å; P215-N225 VanDerWaalsContact CD-O 3.24Å; P215-N225 WeakPolarHBondContact CD-O 3.39Å; P215-N225 HydrophobicContact CG-CB 4.16Å; P215-Y227 HydrophobicContact CB-CE1 4Å; P215-Y227 HydrophobicContact CB-CE2 4.22Å; P215-Y227 WeakPolarHBondContact CB-OH 3.37Å; P215-Y227 HydrophobicContact CG-CD1 4.46Å; P215-Y227 HydrophobicContact CG-CE1 3.73Å; P215-Q294 HydrophobicContact CG-CG 4.17Å
216I74.5Confident74.4Confident69 Ų6946.8 Ų46.835%0.35429%0.29SS..THydrogen-bonded Turntrans-84.3115.8172.6-63.2167.7000108.1D213 Y258 T261 F343D213-I216 VanDerWaalsContact O-CG1 3.31Å; D213-I216 WeakPolarHBondContact O-CG1 3.33Å; I216-Y258 HydrophobicContact CB-CD2 4.43Å; I216-Y258 HydrophobicContact CB-CE2 4.3Å; I216-Y258 HydrophobicContact CD1-CD2 3.93Å; I216-Y258 HydrophobicContact CD1-CE2 4.4Å; I216-Y258 HydrophobicContact CG1-CD2 4.46Å; I216-Y258 HydrophobicContact CG1-CE2 4.46Å; I216-T261 HydrophobicContact CD1-CG2 3.38Å; I216-F343 HydrophobicContact CB-CZ 4.31Å; I216-F343 HydrophobicContact CG2-CE1 3.94Å; I216-F343 HydrophobicContact CG2-CZ 4.11Å
217G61.6Low74.2Confident64 Ų6447.1 Ų47.166%0.6629%0.291SS*.THydrogen-bonded Turntrans114.317.7172.800000116.7P215 D219P215-G217 PolarHBondContact O-N 3.42Å; G217-D219 PolarHBondContact O-N 3.43Å; G217-D219 VanDerWaalsContact O-N 3.07Å
218S54.9Low74.2Confident38 Ų3847.1 Ų47.127%0.26629%0.291SS..  trans-72.9101165.6670000109.6S220S218-S220 PolarHBondContact O-N 3.01Å; S218-S220 VanDerWaalsContact O-N 3.07Å
219D47.4Very low74.1Confident165 Ų16547.1 Ų47.188%0.88229%0.291SS*.  trans-62.1-7.4176.5-75.9-27.4000113.5G217 C221G217-D219 PolarHBondContact O-N 3.43Å; G217-D219 VanDerWaalsContact O-N 3.07Å; D219-C221 PolarHBondContact O-N 3.03Å
220S44.2Very low74.1Confident58 Ų5848.1 Ų48.141%0.40630%0.295SS..SBendtrans-67.7125.8173.943.40000110.2S218 E222S218-S220 PolarHBondContact O-N 3.01Å; S218-S220 VanDerWaalsContact O-N 3.07Å; S220-E222 PolarHBondContact O-N 3.33Å
221C42Very low74Confident139 Ų13948.1 Ų48.194%0.93930%0.295SS*.SBendtrans-60.120.7169.8-72.80000114.5D219D219-C221 PolarHBondContact O-N 3.03Å
222E48.8Very low74Confident132 Ų13248.5 Ų48.562%0.61730%0.298SS*.  trans-92118172.1-66.6-167.6169.800108.6S220 S224S220-E222 PolarHBondContact O-N 3.33Å; E222-S224 PolarHBondContact O-N 3.32Å
223P49.1Very low74.1Confident137 Ų13747.3 Ų47.389%0.8929%0.29SS*.SBendtrans-74.16.3-166.728.9-35.5000115.1
224S55.3Low74.2Confident39 Ų3945.7 Ų45.727%0.27328%0.281SS..  trans-152.982.3-170.256.80000112.2E222E222-S224 PolarHBondContact O-N 3.32Å
225N70.6Confident74.4Confident50 Ų5045.9 Ų45.927%0.26728%0.282SS..  trans-107111.8150.8-76.2-40.8000105.9P215P215-N225 VanDerWaalsContact CD-O 3.24Å; P215-N225 WeakPolarHBondContact CD-O 3.39Å; P215-N225 HydrophobicContact CG-CB 4.16Å
226E89.6Confident74.5Confident4 Ų449 Ų492%0.01930%0.295CS..EExtended strand (participates in β ladder)trans-112.4156.7174.151.2176.3-157.500108.9L134 C211 E214 F299 T301L134-E226 WeakPolarHBondContact CD2-OE2 3.15Å; C211-E226 WeakPolarHBondContact O-CA 3.46Å; C211-E226 WeakPolarHBondContact O-CB 3.41Å; E214-E226 CarbonylContact O-C 3.42Å; E214-E226 WeakPolarHBondContact O-CA 3.46Å; E226-F299 HydrophobicContact CG-CB 4.46Å; E226-F299 HydrophobicContact CG-CD1 4.49Å; E226-F299 WeakPolarHBondContact CG-O 3.13Å; E226-F299 PolarHBondContact N-O 3.07Å; E226-F299 VanDerWaalsContact N-O 3.14Å; E226-F299 PolarHBondContact O-N 3.35Å; E226-F299 VanDerWaalsContact OE1-CD1 3.31Å; E226-F299 WeakPolarHBondContact OE1-CD1 3.29Å; E226-T301 VanDerWaalsContact CD-OG1 3.23Å; E226-T301 WeakPolarHBondContact OE1-CA 3.31Å; E226-T301 WeakPolarHBondContact OE1-CB 3.46Å; E226-T301 WeakPolarHBondContact OE1-CG2 3.48Å; E226-T301 PolarHBondContact OE1-N 2.79Å; E226-T301 PolarHBondContact OE1-OG1 3.47Å; E226-T301 PolarHBondContact OE2-OG1 3.04Å; E226-T301 VanDerWaalsContact OE2-OG1 3.1Å
227Y91.9Very high74.4Confident8 Ų846.8 Ų46.83%0.03129%0.286CS..EExtended strand (participates in β ladder)trans-94.9129.4173.3-76.1-12.9000112T210 C211 E214 P215 L293 Q294 R297T210-Y227 CarbonylContact C-O 3.56Å; T210-Y227 VanDerWaalsContact CA-O 3.3Å; T210-Y227 WeakPolarHBondContact CA-O 3.08Å; C211-Y227 PolarHBondContact N-O 3.18Å; C211-Y227 PolarHBondContact O-N 3Å; E214-Y227 HydrophobicContact CB-CD2 3.54Å; E214-Y227 HydrophobicContact CB-CE2 4Å; E214-Y227 HydrophobicContact CB-CG 4.11Å; E214-Y227 PolarHBondContact O-N 3.24Å; E214-Y227 VanDerWaalsContact O-N 3.11Å; E214-Y227 WeakPolarHBondContact OE2-CD2 2.99Å; P215-Y227 HydrophobicContact CB-CE1 4Å; P215-Y227 HydrophobicContact CB-CE2 4.22Å; P215-Y227 WeakPolarHBondContact CB-OH 3.37Å; P215-Y227 HydrophobicContact CG-CD1 4.46Å; P215-Y227 HydrophobicContact CG-CE1 3.73Å; Y227-L293 HydrophobicContact CE2-CD2 3.94Å; Y227-L293 HydrophobicContact CE2-CG 4.2Å; Y227-Q294 HydrophobicContact CE1-CB 4.36Å; Y227-Q294 HydrophobicContact CE1-CG 4.33Å; Y227-Q294 WeakPolarHBondContact OH-CA 3.32Å; Y227-Q294 WeakPolarHBondContact OH-CB 3.48Å; Y227-R297 WeakPolarHBondContact CA-O 3.18Å; Y227-R297 HydrophobicContact CD1-CB 4.17Å; Y227-R297 HydrophobicContact CG-CB 4.38Å
228I93.9Very high74.7Confident0 Ų046.9 Ų46.90%027%0.27CS..EExtended strand (participates in β ladder)trans-89.8117.7170.1-167.6152.7000110.3L208 T210 M231 I250 K285 R297 F299L208-I228 HydrophobicContact CD1-CD1 3.65Å; L208-I228 HydrophobicContact CG-CD1 4.02Å; T210-I228 HydrophobicContact CG2-CB 4.2Å; T210-I228 HydrophobicContact CG2-CD1 4.34Å; T210-I228 HydrophobicContact CG2-CG1 4.12Å; I228-M231 HydrophobicContact CD1-CB 4.22Å; I228-M231 HydrophobicContact CD1-SD 4.43Å; I228-I250 HydrophobicContact CB-CD1 4.39Å; I228-I250 HydrophobicContact CD1-CD1 3.56Å; I228-I250 HydrophobicContact CG1-CD1 3.87Å; I228-I250 HydrophobicContact CG2-CD1 3.65Å; I228-I250 HydrophobicContact CG2-CG2 4.37Å; I228-K285 HydrophobicContact CG2-CD 4.38Å; I228-R297 WeakPolarHBondContact CG2-O 3.45Å; I228-R297 PolarHBondContact N-O 3.49Å; I228-R297 WeakPolarHBondContact O-CD 3.32Å; I228-R297 PolarHBondContact O-NH1 2.83Å; I228-F299 HydrophobicContact CB-CB 3.78Å; I228-F299 HydrophobicContact CB-CD1 4.21Å; I228-F299 HydrophobicContact CB-CD2 4.49Å; I228-F299 HydrophobicContact CB-CG 3.92Å; I228-F299 HydrophobicContact CD1-CD1 3.85Å; I228-F299 HydrophobicContact CD1-CD2 3.99Å; I228-F299 HydrophobicContact CD1-CE1 3.83Å; I228-F299 HydrophobicContact CD1-CE2 3.96Å; I228-F299 HydrophobicContact CD1-CG 3.92Å; I228-F299 HydrophobicContact CD1-CZ 3.85Å; I228-F299 HydrophobicContact CG2-CB 3.84Å; I228-F299 HydrophobicContact CG2-CD2 4.37Å; I228-F299 HydrophobicContact CG2-CG 4.15Å
229H94.6Very high74.7Confident0 Ų050 Ų500%029%0.292CS..EExtended strand (participates in β ladder)trans-88.5-38.8-178.9-78.6-93.3000111.4M209 P251 Y252 M253 P254 Y266 R297M209-H229 HydrophobicContact CB-CB 4.21Å; M209-H229 HydrophobicContact CE-CB 4.06Å; M209-H229 HydrophobicContact CG-CB 3.86Å; M209-H229 PolarHBondContact O-N 3.13Å; M209-H229 HydrophobicContact SD-CB 3.69Å; H229-P251 VanDerWaalsContact O-O 3.11Å; H229-Y252 CarbonylContact O-C 3.53Å; H229-Y252 WeakPolarHBondContact O-CA 3.31Å; H229-M253 WeakPolarHBondContact CB-O 3.11Å; H229-M253 PolarHBondContact ND1-O 3.04Å; H229-M253 PolarHBondContact O-N 2.96Å; H229-P254 PolarHBondContact CE1-O 3.28Å; H229-P254 PolarHBondContact ND1-O 3.38Å; H229-Y266 AromaticContact CD2-CE1 3.83Å; H229-Y266 AromaticContact CE1-CE1 3.56Å; H229-Y266 AromaticContact ND1-CE1 3.94Å; H229-Y266 AromaticContact NE2-CE1 3.46Å; H229-Y266 WeakPolarHBondContact NE2-CE1 3.45Å; H229-R297 PolarHBondContact O-NH1 2.83Å
230W95.2Very high74.8Confident21 Ų2151.1 Ų51.18%0.0829%0.292CS..EExtended strand (participates in β ladder)trans-156.3143.4-174.8-165.634.8000111.4P191 P192 I194 L207 M209 V232 E248 I250 Y252 F268P191-W230 HydrophobicContact CB-CH2 4.47Å; P191-W230 HydrophobicContact CB-CZ2 4.38Å; P192-W230 HydrophobicContact CG-CZ3 3.93Å; I194-W230 HydrophobicContact CD1-CH2 3.44Å; I194-W230 VanDerWaalsContact CD1-CH2 3.44Å; I194-W230 HydrophobicContact CD1-CZ3 3.61Å; I194-W230 HydrophobicContact CG1-CH2 4.29Å; I194-W230 HydrophobicContact CG1-CZ3 4.2Å; L207-W230 HydrophobicContact CD2-CE3 3.99Å; L207-W230 HydrophobicContact CD2-CH2 4.47Å; L207-W230 HydrophobicContact CD2-CZ3 3.73Å; M209-W230 HydrophobicContact CB-CB 3.79Å; M209-W230 PolarHBondContact N-O 2.96Å; M209-W230 PolarHBondContact O-N 2.82Å; M209-W230 HydrophobicContact SD-CB 4.32Å; W230-V232 HydrophobicContact CD2-CG2 3.93Å; W230-V232 HydrophobicContact CG-CG2 4.37Å; W230-V232 HydrophobicContact CH2-CG2 4.31Å; W230-V232 HydrophobicContact CZ2-CG2 3.48Å; W230-V232 VanDerWaalsContact CZ2-CG2 3.48Å; W230-V232 VanDerWaalsContact NE1-CG2 3.33Å; W230-E248 PolarHBondContact NE1-OE1 2.83Å; W230-I250 VanDerWaalsContact CD1-O 3.22Å; W230-Y252 HydrophobicContact CB-CD2 3.92Å; W230-Y252 AromaticContact CD2-CD2 3.95Å; W230-Y252 HydrophobicContact CD2-CD2 3.95Å; W230-Y252 HydrophobicContact CE3-CD2 4.17Å; W230-Y252 AromaticContact CG-CD2 3.86Å; W230-Y252 HydrophobicContact CG-CD2 3.86Å; W230-F268 HydrophobicContact CE3-CE1 4.34Å
231M95.1Very high74.9Confident0 Ų050.2 Ų50.20%029%0.292CS..EExtended strand (participates in β ladder)trans-146.6120.3174.5-171.8-176.7178.500110T206 L207 I228 T233 I249 I250 L280 F304T206-M231 HydrophobicContact CG2-CE 4.2Å; L207-M231 WeakPolarHBondContact O-CA 3.3Å; I228-M231 HydrophobicContact CD1-CB 4.22Å; I228-M231 HydrophobicContact CD1-SD 4.43Å; M231-T233 HydrophobicContact CE-CG2 3.9Å; M231-T233 HydrophobicContact CG-CG2 4.47Å; M231-I249 HydrophobicContact CG-CB 4.44Å; M231-I249 PolarHBondContact O-N 3.18Å; M231-I249 HydrophobicContact SD-CB 4.32Å; M231-I249 HydrophobicContact SD-CG2 4.23Å; M231-I250 HydrophobicContact CB-CB 3.75Å; M231-I250 HydrophobicContact CB-CD1 3.9Å; M231-I250 HydrophobicContact CB-CG1 3.84Å; M231-I250 PolarHBondContact N-O 2.99Å; M231-I250 PolarHBondContact O-N 2.88Å; M231-I250 HydrophobicContact SD-CD1 4Å; M231-I250 HydrophobicContact SD-CG1 4.33Å; M231-L280 HydrophobicContact CE-CB 4.33Å; M231-L280 HydrophobicContact CE-CD1 3.74Å; M231-F304 HydrophobicContact CE-CE2 3.49Å; M231-F304 VanDerWaalsContact CE-CE2 3.49Å; M231-F304 HydrophobicContact CE-CZ 3.5Å
232V94.1Very high75.4Confident9 Ų949.6 Ų49.66%0.05528%0.284CS..EExtended strand (participates in β ladder)trans-127.8129.1177.2-163.50000109.2T206 L207 W230 L235 D247T206-V232 CarbonylContact C-O 3.58Å; T206-V232 WeakPolarHBondContact CA-O 3.39Å; L207-V232 PolarHBondContact N-O 3.26Å; L207-V232 PolarHBondContact O-N 3.36Å; W230-V232 HydrophobicContact CD2-CG2 3.93Å; W230-V232 HydrophobicContact CG-CG2 4.37Å; W230-V232 HydrophobicContact CH2-CG2 4.31Å; W230-V232 HydrophobicContact CZ2-CG2 3.48Å; W230-V232 VanDerWaalsContact CZ2-CG2 3.48Å; W230-V232 VanDerWaalsContact NE1-CG2 3.33Å; V232-L235 HydrophobicContact CB-CD1 4.38Å; V232-L235 HydrophobicContact CB-CD2 4.1Å; V232-L235 HydrophobicContact CB-CG 4.38Å; V232-L235 HydrophobicContact CG1-CD2 3.55Å; V232-L235 HydrophobicContact CG1-CG 4.14Å; V232-D247 WeakPolarHBondContact CA-O 3.26Å; V232-D247 WeakPolarHBondContact CG1-O 3.49Å
233T93.7Very high75.7Confident1 Ų145 Ų451%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-113.2163.4-173.957.20000110.7T206 M231 L235 G246 D247 I249 L280T206-T233 HydrophobicContact CG2-CG2 3.72Å; M231-T233 HydrophobicContact CE-CG2 3.9Å; M231-T233 HydrophobicContact CG-CG2 4.47Å; T233-L235 PolarHBondContact O-N 3.01Å; T233-G246 CarbonylContact O-C 3.56Å; T233-G246 WeakPolarHBondContact O-CA 3.48Å; T233-D247 PolarHBondContact N-O 3.09Å; T233-D247 PolarHBondContact O-N 3.13Å; T233-D247 PolarHBondContact OG1-O 2.65Å; T233-I249 HydrophobicContact CG2-CG1 3.56Å; T233-I249 WeakPolarHBondContact OG1-CG1 3.42Å; T233-L280 HydrophobicContact CG2-CB 4.08Å; T233-L280 HydrophobicContact CG2-CD1 3.38Å; T233-L280 HydrophobicContact CG2-CG 4.24Å
234N92.5Very high76.5Confident8 Ų840.3 Ų40.34%0.04324%0.24CC..EExtended strand (participates in β ladder)trans5831.2174.5-51.6-35000113.6Y204 W205 D247 Q273 K277 I278Y204-N234 HydrophobicContact CD1-CB 4.36Å; W205-N234 PolarHBondContact O-N 3.42Å; W205-N234 VanDerWaalsContact O-N 3.13Å; N234-D247 PolarHBondContact ND2-OD2 2.82Å; N234-Q273 PolarHBondContact OD1-NE2 3.03Å; N234-Q273 PolarHBondContact OD1-OE1 3.14Å; N234-K277 HydrophobicContact CB-CG 4.42Å; N234-I278 PolarHBondContact ND2-O 2.82Å; N234-I278 VanDerWaalsContact ND2-O 3.11Å; N234-I278 PolarHBondContact OD1-N 3.43Å; N234-I278 PolarHBondContact OD1-O 2.83Å
235L91.4Very high77.4Confident3 Ų344.3 Ų44.32%0.01626%0.257CS..EExtended strand (participates in β ladder)trans-64.8131.8177.1-66.3168.7000110.1L196 Y204 W205 L207 V232 T233 V244 I245L196-L235 HydrophobicContact CD1-CB 4.17Å; Y204-L235 WeakPolarHBondContact CA-O 3.37Å; W205-L235 HydrophobicContact CB-CB 4.05Å; W205-L235 PolarHBondContact N-O 3.02Å; W205-L235 WeakPolarHBondContact O-CB 3.12Å; W205-L235 PolarHBondContact O-N 3.19Å; L207-L235 HydrophobicContact CB-CD1 3.54Å; V232-L235 HydrophobicContact CB-CD1 4.38Å; V232-L235 HydrophobicContact CB-CD2 4.1Å; V232-L235 HydrophobicContact CB-CG 4.38Å; V232-L235 HydrophobicContact CG1-CD2 3.55Å; V232-L235 HydrophobicContact CG1-CG 4.14Å; T233-L235 PolarHBondContact O-N 3.01Å; L235-V244 HydrophobicContact CB-CG1 3.68Å; L235-V244 HydrophobicContact CD2-CB 3.88Å; L235-V244 HydrophobicContact CD2-CG1 3.29Å; L235-V244 HydrophobicContact CG-CG1 3.99Å; L235-I245 WeakPolarHBondContact CA-O 3.43Å
236Q84.6Confident78.1Confident85 Ų8543.2 Ų43.240%0.39726%0.258SS..EExtended strand (participates in β ladder)trans-115139.8172.5-70.8-174.4-28.700111Y204 I238 V244 I245Y204-Q236 HydrophobicContact CD1-CG 3.56Å; Y204-Q236 VanDerWaalsContact CE1-CD 3.48Å; Y204-Q236 HydrophobicContact CE1-CG 3.49Å; Y204-Q236 VanDerWaalsContact CE1-CG 3.49Å; Y204-Q236 PolarHBondContact OH-NE2 3.47Å; Q236-I238 PolarHBondContact O-N 3.29Å; Q236-V244 WeakPolarHBondContact O-CG1 3.25Å; Q236-I245 PolarHBondContact N-O 2.86Å
237S72.1Confident78.1Confident22 Ų2247 Ų4715%0.15428%0.279CS..  trans-72114.9170.4-178.60000109.2L196 N201L196-S237 PolarHBondContact O-OG 3.19Å; N201-S237 VanDerWaalsContact OD1-CB 3.31Å; N201-S237 WeakPolarHBondContact OD1-CB 3.34Å; N201-S237 PolarHBondContact OD1-OG 2.95Å
238I66.7Low78.1Confident65 Ų6551 Ų5133%0.33330%0.298SS..  trans-97.8117.3175.6-58.3173.4000107.2Q236 E240 I245Q236-I238 PolarHBondContact O-N 3.29Å; I238-E240 PolarHBondContact O-N 2.77Å; I238-I245 HydrophobicContact CD1-CB 4.07Å; I238-I245 HydrophobicContact CD1-CD1 3.38Å; I238-I245 HydrophobicContact CD1-CG1 3.47Å; I238-I245 VanDerWaalsContact CD1-CG1 3.47Å
239S55.6Low78Confident104 Ų10451.2 Ų51.273%0.72730%0.299SS*.THydrogen-bonded Turntrans-68.2-15.9-176.744.70000114.4
240E49.4Very low77.9Confident188 Ų18851.2 Ų51.288%0.87930%0.299SS*.THydrogen-bonded Turntrans-127.214.2-169.8-62.2-172.3172.700114.4I238I238-E240 PolarHBondContact O-N 2.77Å
241G46.2Very low77.8Confident40 Ų4051.3 Ų51.341%0.41230%0.302SS..  trans-146.6134.7178.300000112.3G243G241-G243 PolarHBondContact O-N 2.83Å
242V53.6Low77.8Confident125 Ų12552.6 Ų52.676%0.75831%0.307SS*.SBendtrans-74.258.2174.3-172.70000108.5F193F193-V242 HydrophobicContact CD1-CG1 4.01Å; F193-V242 HydrophobicContact CD2-CG1 4.17Å; F193-V242 HydrophobicContact CE1-CG1 3.34Å; F193-V242 HydrophobicContact CE2-CB 4.3Å; F193-V242 HydrophobicContact CE2-CG1 3.61Å; F193-V242 WeakPolarHBondContact CE2-O 3.42Å; F193-V242 HydrophobicContact CG-CG1 4.39Å; F193-V242 HydrophobicContact CZ-CB 3.95Å; F193-V242 HydrophobicContact CZ-CG1 3.14Å
243G54.5Low77.7Confident35 Ų3552.1 Ų52.136%0.36130%0.304SS..  trans-164.2136.9-173.400000111G241G241-G243 PolarHBondContact O-N 2.83Å
244V66.4Low77.8Confident39 Ų3952.4 Ų52.424%0.23631%0.306CS..  trans-101.7126.5173-158.60000108.4I194 L196 L235 Q236I194-V244 HydrophobicContact CB-CG2 3.96Å; I194-V244 HydrophobicContact CG2-CG2 4.37Å; I194-V244 WeakPolarHBondContact O-CG2 3.15Å; L196-V244 HydrophobicContact CD1-CG1 3.78Å; L196-V244 HydrophobicContact CD1-CG2 4.27Å; L196-V244 HydrophobicContact CG-CG2 4.45Å; L235-V244 HydrophobicContact CB-CG1 3.68Å; L235-V244 HydrophobicContact CD2-CB 3.88Å; L235-V244 HydrophobicContact CD2-CG1 3.29Å; L235-V244 HydrophobicContact CG-CG1 3.99Å; Q236-V244 WeakPolarHBondContact O-CG1 3.25Å
245I74.4Confident77.9Confident123 Ų12352.1 Ų52.163%0.63131%0.305SS*.EExtended strand (participates in β ladder)trans-90.8122.7171.1-62.2171.9000107L235 Q236 I238L235-I245 WeakPolarHBondContact CA-O 3.43Å; Q236-I245 PolarHBondContact N-O 2.86Å; I238-I245 HydrophobicContact CD1-CB 4.07Å; I238-I245 HydrophobicContact CD1-CD1 3.38Å; I238-I245 HydrophobicContact CD1-CG1 3.47Å; I238-I245 VanDerWaalsContact CD1-CG1 3.47Å
246G84.2Confident78Confident28 Ų2852 Ų5229%0.28930%0.304SS..EExtended strand (participates in β ladder)trans-158.4167.7175.500000111.1T233T233-G246 CarbonylContact O-C 3.56Å; T233-G246 WeakPolarHBondContact O-CA 3.48Å
247D89.3Confident78.4Confident83 Ų8348 Ų4844%0.44429%0.285SS..EExtended strand (participates in β ladder)trans-89.3114.1179.3-58.4-43.5000108.8V232 T233 N234 I249V232-D247 WeakPolarHBondContact CA-O 3.26Å; V232-D247 WeakPolarHBondContact CG1-O 3.49Å; T233-D247 PolarHBondContact N-O 3.09Å; T233-D247 PolarHBondContact O-N 3.13Å; T233-D247 PolarHBondContact OG1-O 2.65Å; N234-D247 PolarHBondContact ND2-OD2 2.82Å; D247-I249 PolarHBondContact O-N 2.93Å
248E91.4Very high79.4Confident92 Ų9247.7 Ų47.743%0.4328%0.281SS..EExtended strand (participates in β ladder)trans-76.4112175.8-169.8172.6-147.100109.7W230 P251 Y252 R284W230-E248 PolarHBondContact NE1-OE1 2.83Å; E248-P251 VanDerWaalsContact OE1-CA 3.3Å; E248-P251 WeakPolarHBondContact OE1-CA 3.41Å; E248-Y252 PolarHBondContact OE1-N 3.25Å; E248-Y252 VanDerWaalsContact OE1-N 3.17Å; E248-R284 PolarHBondContact O-NH2 2.9Å
249I92.8Very high80.7Confident4 Ų447.6 Ų47.62%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-90.8-41.9179.7-58.2-60.9000110.3M231 T233 D247 L280 W283 R284 K285M231-I249 HydrophobicContact CG-CB 4.44Å; M231-I249 PolarHBondContact O-N 3.18Å; M231-I249 HydrophobicContact SD-CB 4.32Å; M231-I249 HydrophobicContact SD-CG2 4.23Å; T233-I249 HydrophobicContact CG2-CG1 3.56Å; T233-I249 WeakPolarHBondContact OG1-CG1 3.42Å; D247-I249 PolarHBondContact O-N 2.93Å; I249-L280 HydrophobicContact CD1-CB 4.48Å; I249-L280 HydrophobicContact CG1-CB 4.34Å; I249-W283 HydrophobicContact CG2-CB 4.38Å; I249-R284 HydrophobicContact CG2-CB 4.1Å; I249-R284 WeakPolarHBondContact O-CA 3.34Å; I249-K285 PolarHBondContact O-N 2.77Å
250I93.2Very high82.4Confident0 Ų044.5 Ų44.50%026%0.263CS..EExtended strand (participates in β ladder)trans-123.8119.8177.1-56.9178.7000107.4I228 W230 M231 K285 R297I228-I250 HydrophobicContact CB-CD1 4.39Å; I228-I250 HydrophobicContact CD1-CD1 3.56Å; I228-I250 HydrophobicContact CG1-CD1 3.87Å; I228-I250 HydrophobicContact CG2-CD1 3.65Å; I228-I250 HydrophobicContact CG2-CG2 4.37Å; W230-I250 VanDerWaalsContact CD1-O 3.22Å; M231-I250 HydrophobicContact CB-CB 3.75Å; M231-I250 HydrophobicContact CB-CD1 3.9Å; M231-I250 HydrophobicContact CB-CG1 3.84Å; M231-I250 PolarHBondContact N-O 2.99Å; M231-I250 PolarHBondContact O-N 2.88Å; M231-I250 HydrophobicContact SD-CD1 4Å; M231-I250 HydrophobicContact SD-CG1 4.33Å; I250-K285 HydrophobicContact CD1-CD 3.86Å; I250-K285 HydrophobicContact CG1-CB 4.17Å; I250-K285 HydrophobicContact CG1-CD 4.38Å; I250-K285 HydrophobicContact CG2-CB 4.4Å; I250-R297 VanDerWaalsContact CG2-NH1 3.29Å
251P93.3Very high84.5Confident24 Ų2437.5 Ų37.516%0.15623%0.234CC..  trans-67.3145.2-176.626.5-32.6000111.8H229 E248 M253 K285 N287 R297H229-P251 VanDerWaalsContact O-O 3.11Å; E248-P251 VanDerWaalsContact OE1-CA 3.3Å; E248-P251 WeakPolarHBondContact OE1-CA 3.41Å; P251-M253 PolarHBondContact O-N 2.74Å; P251-K285 WeakPolarHBondContact CD-O 3.3Å; P251-N287 WeakPolarHBondContact CB-OD1 3.42Å; P251-N287 WeakPolarHBondContact CG-OD1 3.45Å; P251-R297 PolarHBondContact O-NH1 2.8Å; P251-R297 VanDerWaalsContact O-NH1 3.1Å; P251-R297 PolarHBondContact O-NH2 3.26Å
252Y94.2Very high86.7Confident26 Ų2637.2 Ų37.210%0.10223%0.231CC..  trans-54.6127.8-179.8-177.5-99000112.2Y151 A188 N190 P191 M209 H229 W230 E248 P254Y151-Y252 WeakPolarHBondContact CE1-OH 3.28Å; Y151-Y252 PolarHBondContact OH-OH 3.47Å; A188-Y252 PolarHBondContact O-OH 2.98Å; N190-Y252 VanDerWaalsContact C-CE1 3.48Å; P191-Y252 HydrophobicContact CB-CD1 4.1Å; P191-Y252 HydrophobicContact CB-CD2 4.03Å; P191-Y252 HydrophobicContact CB-CG 3.77Å; M209-Y252 HydrophobicContact CE-CE2 4.33Å; M209-Y252 HydrophobicContact SD-CD2 4.37Å; M209-Y252 HydrophobicContact SD-CE2 3.72Å; H229-Y252 CarbonylContact O-C 3.53Å; H229-Y252 WeakPolarHBondContact O-CA 3.31Å; W230-Y252 HydrophobicContact CB-CD2 3.92Å; W230-Y252 AromaticContact CD2-CD2 3.95Å; W230-Y252 HydrophobicContact CD2-CD2 3.95Å; W230-Y252 HydrophobicContact CE3-CD2 4.17Å; W230-Y252 AromaticContact CG-CD2 3.86Å; W230-Y252 HydrophobicContact CG-CD2 3.86Å; E248-Y252 PolarHBondContact OE1-N 3.25Å; E248-Y252 VanDerWaalsContact OE1-N 3.17Å; Y252-P254 HydrophobicContact CE1-CB 4.16Å
253M92.9Very high88.6Confident0 Ų038 Ų380%022%0.221CC..  trans-117126.5170178.8-175.1174.900108.5H229 P251 I256 P288 L293 R297 Y331H229-M253 WeakPolarHBondContact CB-O 3.11Å; H229-M253 PolarHBondContact ND1-O 3.04Å; H229-M253 PolarHBondContact O-N 2.96Å; P251-M253 PolarHBondContact O-N 2.74Å; M253-I256 HydrophobicContact CE-CD1 3.23Å; M253-I256 HydrophobicContact CE-CG1 3.64Å; M253-I256 HydrophobicContact CE-CG2 4.13Å; M253-P288 HydrophobicContact SD-CG 4.43Å; M253-L293 HydrophobicContact CE-CD1 3.56Å; M253-L293 HydrophobicContact CE-CD2 4.3Å; M253-L293 HydrophobicContact SD-CD1 3.94Å; M253-R297 HydrophobicContact SD-CG 3.97Å; M253-Y331 HydrophobicContact CE-CE1 4.11Å
254P94.4Very high90.6Very high6 Ų636.5 Ų36.54%0.03921%0.205CC..  trans-63.5159.4179.129.6-36000111.5M189 H229 Y252 I256 Y331M189-P254 HydrophobicContact SD-CB 4.04Å; M189-P254 HydrophobicContact SD-CG 4.23Å; H229-P254 PolarHBondContact CE1-O 3.28Å; H229-P254 PolarHBondContact ND1-O 3.38Å; Y252-P254 HydrophobicContact CE1-CB 4.16Å; P254-I256 PolarHBondContact O-N 2.8Å; P254-Y331 HydrophobicContact CG-CD2 3.57Å; P254-Y331 HydrophobicContact CG-CE1 4.4Å; P254-Y331 HydrophobicContact CG-CE2 3.31Å; P254-Y331 HydrophobicContact CG-CG 4.23Å
255P94.8Very high91.9Very high2 Ų236.2 Ų36.21%0.01320%0.199CC..  trans-62.5134.1172.727.7-34.2000110.6A185 A188 Y266A185-P255 HydrophobicContact CB-CG 4.25Å; A188-P255 HydrophobicContact CB-CG 3.5Å; A188-P255 VanDerWaalsContact CB-CG 3.5Å; A188-P255 VanDerWaalsContact O-CD 3.28Å; A188-P255 WeakPolarHBondContact O-CD 3.27Å; P255-Y266 VanDerWaalsContact CA-CE1 3.45Å; P255-Y266 VanDerWaalsContact CA-CZ 3.49Å; P255-Y266 VanDerWaalsContact CA-OH 3.31Å; P255-Y266 WeakPolarHBondContact CA-OH 3.24Å; P255-Y266 HydrophobicContact CB-CD1 3.92Å; P255-Y266 HydrophobicContact CB-CD2 4.08Å; P255-Y266 HydrophobicContact CB-CE1 3.36Å; P255-Y266 HydrophobicContact CB-CE2 3.62Å; P255-Y266 HydrophobicContact CB-CG 4.22Å; P255-Y266 WeakPolarHBondContact CB-OH 3.47Å
256I93.2Very high93Very high1 Ų130.3 Ų30.31%0.00517%0.169CC..  trans-12852.9-177.252.7152.5000112.5E214 M253 P254 Y258 Y266 L293 V328 Y331 F332E214-I256 WeakPolarHBondContact OE2-CG1 3.49Å; M253-I256 HydrophobicContact CE-CD1 3.23Å; M253-I256 HydrophobicContact CE-CG1 3.64Å; M253-I256 HydrophobicContact CE-CG2 4.13Å; P254-I256 PolarHBondContact O-N 2.8Å; I256-Y258 HydrophobicContact CD1-CE1 4.29Å; I256-Y258 WeakPolarHBondContact O-CD1 3.34Å; I256-Y258 PolarHBondContact O-N 2.77Å; I256-Y266 PolarHBondContact N-OH 2.81Å; I256-L293 HydrophobicContact CD1-CD2 3.76Å; I256-V328 HydrophobicContact CB-CG1 4.11Å; I256-V328 HydrophobicContact CG2-CG1 4.4Å; I256-Y331 HydrophobicContact CG2-CD1 3.63Å; I256-Y331 HydrophobicContact CG2-CE1 4.02Å; I256-Y331 HydrophobicContact CG2-CG 4.31Å; I256-F332 HydrophobicContact CB-CE2 4.16Å; I256-F332 HydrophobicContact CB-CZ 4.47Å; I256-F332 HydrophobicContact CD1-CZ 4.01Å
257P94.6Very high93.6Very high0 Ų029 Ų290%016%0.156CC..PPolyproline II helixtrans-57.3127.9178.225.5-34.6000111.3H264 V323 W324 V328P257-H264 HydrophobicContact CB-CB 4.17Å; P257-V323 WeakPolarHBondContact CG-O 3.33Å; P257-W324 VanDerWaalsContact O-CD1 3.31Å; P257-V328 HydrophobicContact CG-CG2 4.26Å
258Y92.4Very high94Very high16 Ų1625 Ų256%0.06313%0.134CC..PPolyproline II helixtrans-72.6149.5-176.1-52.2-32.7000112.1E214 I216 I256 G260 T261 F332 P341 F343E214-Y258 HydrophobicContact CG-CE2 4.49Å; I216-Y258 HydrophobicContact CB-CD2 4.43Å; I216-Y258 HydrophobicContact CB-CE2 4.3Å; I216-Y258 HydrophobicContact CD1-CD2 3.93Å; I216-Y258 HydrophobicContact CD1-CE2 4.4Å; I216-Y258 HydrophobicContact CG1-CD2 4.46Å; I216-Y258 HydrophobicContact CG1-CE2 4.46Å; I256-Y258 HydrophobicContact CD1-CE1 4.29Å; I256-Y258 WeakPolarHBondContact O-CD1 3.34Å; I256-Y258 PolarHBondContact O-N 2.77Å; Y258-G260 PolarHBondContact O-N 2.83Å; Y258-T261 HydrophobicContact CD2-CG2 4.35Å; Y258-T261 PolarHBondContact O-N 3.28Å; Y258-T261 PolarHBondContact O-OG1 3.47Å; Y258-F332 HydrophobicContact CD1-CE2 4.29Å; Y258-F332 HydrophobicContact CD1-CZ 4.03Å; Y258-F332 HydrophobicContact CE1-CE2 4.42Å; Y258-F332 AromaticContact CE1-CZ 3.75Å; Y258-F332 HydrophobicContact CE1-CZ 3.75Å; Y258-P341 HydrophobicContact CD1-CG 3.69Å; Y258-P341 HydrophobicContact CD2-CG 4.15Å; Y258-P341 HydrophobicContact CE1-CG 3.96Å; Y258-P341 HydrophobicContact CE2-CG 4.35Å; Y258-P341 HydrophobicContact CG-CG 3.81Å; Y258-F343 HydrophobicContact CD2-CD2 4.21Å; Y258-F343 AromaticContact CD2-CE2 3.37Å; Y258-F343 HydrophobicContact CD2-CE2 3.37Å; Y258-F343 HydrophobicContact CD2-CZ 4.04Å; Y258-F343 HydrophobicContact CE2-CE2 4.26Å; Y258-F343 HydrophobicContact CG-CD2 4.4Å; Y258-F343 AromaticContact CG-CE2 3.83Å; Y258-F343 HydrophobicContact CG-CE2 3.83Å
259Q94.4Very high94.2Very high63 Ų6320.7 Ų20.729%0.29411%0.114SC..BIsolated β-bridgetrans-62.3127.9-179.9-165.8173.921.800110.6W324 V342 F343Q259-W324 HydrophobicContact CB-CD2 4.05Å; Q259-W324 HydrophobicContact CB-CG 3.9Å; Q259-W324 HydrophobicContact CG-CD2 3.85Å; Q259-W324 HydrophobicContact CG-CE3 4.23Å; Q259-W324 HydrophobicContact CG-CG 4.15Å; Q259-W324 HydrophobicContact CG-CZ2 4.33Å; Q259-V342 HydrophobicContact CB-CG1 4.23Å; Q259-V342 HydrophobicContact CB-CG2 4.36Å; Q259-V342 HydrophobicContact CG-CG1 4.32Å; Q259-F343 WeakPolarHBondContact O-CB 3.34Å; Q259-F343 PolarHBondContact O-N 3.07Å
260G91.4Very high94.4Very high39 Ų3920.5 Ų20.540%0.40211%0.113SC..THydrogen-bonded Turntrans82.64.8175.400000116.7Y258 F343Y258-G260 PolarHBondContact O-N 2.83Å; G260-F343 WeakPolarHBondContact CA-O 3.44Å
261T92.2Very high94.5Very high41 Ų4120.5 Ų20.525%0.25211%0.113SC..SBendtrans-87.5-21.8176.456.50000113.5I216 Y258 H264 F343I216-T261 HydrophobicContact CD1-CG2 3.38Å; Y258-T261 HydrophobicContact CD2-CG2 4.35Å; Y258-T261 PolarHBondContact O-N 3.28Å; Y258-T261 PolarHBondContact O-OG1 3.47Å; T261-H264 WeakPolarHBondContact CB-NE2 3.38Å; T261-H264 PolarHBondContact OG1-NE2 2.84Å; T261-F343 HydrophobicContact CG2-CB 3.94Å; T261-F343 HydrophobicContact CG2-CD2 3.39Å; T261-F343 HydrophobicContact CG2-CE2 4.03Å; T261-F343 HydrophobicContact CG2-CG 3.72Å
262G92.5Very high94.6Very high34 Ų3421.9 Ų21.935%0.35112%0.115SC..  trans102.5-131.9177.200000112.1
263Y94.7Very high94.6Very high141 Ų14120.7 Ų20.755%0.55311%0.111SC*.EExtended strand (participates in β ladder)trans-99.3125-176.5-60.6-85.9000110.1L182 S322 V323L182-Y263 HydrophobicContact CD1-CD1 3.99Å; L182-Y263 HydrophobicContact CD1-CE1 3.48Å; L182-Y263 VanDerWaalsContact CD1-CE1 3.48Å; Y263-S322 WeakPolarHBondContact CA-O 3.34Å; Y263-V323 HydrophobicContact CD1-CG2 3.15Å; Y263-V323 HydrophobicContact CE1-CG2 3.15Å; Y263-V323 HydrophobicContact CG-CG2 4.1Å
264H95.1Very high94.4Very high5 Ų523.1 Ų23.12%0.02312%0.124CC..EExtended strand (participates in β ladder)trans-104.3139.7174.8-71.7-166.3000110.4D213 E214 P257 T261 Y266 Q321 S322D213-H264 HydrophobicContact CB-CB 4.4Å; D213-H264 WeakPolarHBondContact OD2-CA 3.44Å; E214-H264 WeakPolarHBondContact CG-ND1 3.37Å; E214-H264 IonicContact OE1-CE1 3.86Å; E214-H264 PolarHBondContact OE1-CE1 3.16Å; E214-H264 IonicContact OE1-CG 3.87Å; E214-H264 IonicContact OE1-ND1 2.78Å; E214-H264 PolarHBondContact OE1-ND1 3Å; P257-H264 HydrophobicContact CB-CB 4.17Å; T261-H264 WeakPolarHBondContact CB-NE2 3.38Å; T261-H264 PolarHBondContact OG1-NE2 2.84Å; H264-Y266 HydrophobicContact CB-CD2 4.47Å; H264-Y266 HydrophobicContact CB-CE2 3.69Å; H264-Q321 CarbonylContact O-C 3.54Å; H264-Q321 VanDerWaalsContact O-CA 3.3Å; H264-Q321 WeakPolarHBondContact O-CA 3.48Å; H264-S322 PolarHBondContact N-O 3.27Å; H264-S322 PolarHBondContact O-N 2.89Å
265R95.6Very high94.2Very high32 Ų3230 Ų3012%0.12116%0.155CC..EExtended strand (participates in β ladder)trans-93.1123.7-178.5-59.8172.9-661509.1109.7Y128 P212 D213 I267Y128-R265 PolarHBondContact O-NH1 3.42Å; P212-R265 WeakPolarHBondContact CD-O 3.36Å; D213-R265 IonicContact OD1-CZ 3.77Å; D213-R265 IonicContact OD1-NE 3.5Å; D213-R265 PolarHBondContact OD1-NE 3.36Å; D213-R265 IonicContact OD1-NH2 3.66Å; D213-R265 PolarHBondContact OD1-NH2 3.4Å; D213-R265 WeakPolarHBondContact OD2-CB 2.89Å; D213-R265 WeakPolarHBondContact OD2-CG 3.34Å; D213-R265 PolarHBondContact OD2-N 2.79Å; D213-R265 IonicContact OD2-NE 2.7Å; D213-R265 PolarHBondContact OD2-NE 2.86Å; R265-I267 HydrophobicContact CB-CG1 4.44Å
266Y96.9Very high93.9Very high0 Ų030.9 Ų30.90%016%0.164CC..EExtended strand (participates in β ladder)trans-110.6115.3175.8-72.3-91.1000108.9M209 C211 E214 H229 P255 I256 H264 F319 F320 S322M209-Y266 HydrophobicContact CE-CD1 3.64Å; M209-Y266 HydrophobicContact CE-CE1 4.49Å; M209-Y266 HydrophobicContact CE-CG 4.22Å; C211-Y266 HydrophobicContact CB-CD1 4.15Å; C211-Y266 HydrophobicContact CB-CE1 3.93Å; E214-Y266 PolarHBondContact OE1-OH 2.67Å; E214-Y266 VanDerWaalsContact OE1-OH 3.05Å; H229-Y266 AromaticContact CD2-CE1 3.83Å; H229-Y266 AromaticContact CE1-CE1 3.56Å; H229-Y266 AromaticContact ND1-CE1 3.94Å; H229-Y266 AromaticContact NE2-CE1 3.46Å; H229-Y266 WeakPolarHBondContact NE2-CE1 3.45Å; P255-Y266 VanDerWaalsContact CA-CE1 3.45Å; P255-Y266 VanDerWaalsContact CA-CZ 3.49Å; P255-Y266 VanDerWaalsContact CA-OH 3.31Å; P255-Y266 WeakPolarHBondContact CA-OH 3.24Å; P255-Y266 HydrophobicContact CB-CD1 3.92Å; P255-Y266 HydrophobicContact CB-CD2 4.08Å; P255-Y266 HydrophobicContact CB-CE1 3.36Å; P255-Y266 HydrophobicContact CB-CE2 3.62Å; P255-Y266 HydrophobicContact CB-CG 4.22Å; P255-Y266 WeakPolarHBondContact CB-OH 3.47Å; I256-Y266 PolarHBondContact N-OH 2.81Å; H264-Y266 HydrophobicContact CB-CD2 4.47Å; H264-Y266 HydrophobicContact CB-CE2 3.69Å; Y266-F319 CarbonylContact O-C 3.58Å; Y266-F319 WeakPolarHBondContact O-CA 3.16Å; Y266-F319 VanDerWaalsContact O-CB 3.25Å; Y266-F319 WeakPolarHBondContact O-CB 3.19Å; Y266-F320 VanDerWaalsContact CB-CE1 3.48Å; Y266-F320 VanDerWaalsContact CB-CZ 3.48Å; Y266-F320 HydrophobicContact CD2-CE2 4.04Å; Y266-F320 HydrophobicContact CD2-CZ 4.29Å; Y266-F320 HydrophobicContact CG-CE1 4.32Å; Y266-F320 HydrophobicContact CG-CE2 4.05Å; Y266-F320 AromaticContact CG-CZ 3.83Å; Y266-F320 HydrophobicContact CG-CZ 3.83Å; Y266-F320 PolarHBondContact N-O 2.74Å; Y266-F320 PolarHBondContact O-N 3.44Å; Y266-S322 WeakPolarHBondContact CD2-OG 3.08Å; Y266-S322 WeakPolarHBondContact CE2-OG 3.46Å
267I97Very high93.8Very high0 Ų037.1 Ų37.10%019%0.191CC..EExtended strand (participates in β ladder)trans-115.2124.1-165.1-54.2165.2000109.4I130 L134 M209 T210 P212 R265 I269 L317 F319I130-I267 HydrophobicContact CB-CD1 4.36Å; I130-I267 HydrophobicContact CD1-CD1 4.36Å; I130-I267 HydrophobicContact CD1-CG1 4.37Å; I130-I267 HydrophobicContact CG1-CD1 3.92Å; I130-I267 HydrophobicContact CG1-CG1 4.45Å; I130-I267 HydrophobicContact CG2-CD1 3.91Å; I130-I267 HydrophobicContact CG2-CG2 4.18Å; L134-I267 HydrophobicContact CD1-CD1 4.05Å; L134-I267 HydrophobicContact CD1-CG2 3.95Å; L134-I267 HydrophobicContact CD2-CD1 4.22Å; L134-I267 HydrophobicContact CG-CD1 4.28Å; M209-I267 CarbonylContact C-O 3.57Å; M209-I267 VanDerWaalsContact CA-O 3.27Å; M209-I267 WeakPolarHBondContact CA-O 3.42Å; T210-I267 PolarHBondContact N-O 2.81Å; T210-I267 PolarHBondContact O-N 3.13Å; P212-I267 HydrophobicContact CG-CD1 3.68Å; R265-I267 HydrophobicContact CB-CG1 4.44Å; I267-I269 HydrophobicContact CG2-CG1 4.17Å; I267-L317 HydrophobicContact CG2-CD1 3.54Å; I267-F319 HydrophobicContact CB-CB 4.24Å; I267-F319 HydrophobicContact CG1-CB 3.98Å; I267-F319 HydrophobicContact CG2-CB 4.28Å
268F97.2Very high93.6Very high0 Ų037.7 Ų37.70%019%0.194CC..EExtended strand (participates in β ladder)trans-99.5121.7170.7-64.1-84.7000110.2F147 I149 V177 P192 L207 L208 M209 W230 L317 A318 F320F147-F268 HydrophobicContact CE2-CB 4.16Å; F147-F268 HydrophobicContact CZ-CB 4.01Å; I149-F268 HydrophobicContact CD1-CB 3.57Å; I149-F268 HydrophobicContact CD1-CD1 3.78Å; I149-F268 HydrophobicContact CD1-CD2 3.24Å; I149-F268 HydrophobicContact CD1-CE1 4.21Å; I149-F268 HydrophobicContact CD1-CE2 3.7Å; I149-F268 HydrophobicContact CD1-CG 3.26Å; I149-F268 HydrophobicContact CD1-CZ 4.18Å; I149-F268 HydrophobicContact CG2-CE2 4.29Å; I149-F268 HydrophobicContact CG2-CZ 4.27Å; V177-F268 HydrophobicContact CG1-CD2 4.49Å; V177-F268 HydrophobicContact CG1-CE2 4.47Å; P192-F268 HydrophobicContact CG-CE1 4.35Å; P192-F268 HydrophobicContact CG-CZ 4.13Å; L207-F268 HydrophobicContact CD1-CB 4.2Å; L207-F268 HydrophobicContact CD1-CD1 4.24Å; L207-F268 HydrophobicContact CD2-CD1 4.33Å; L207-F268 HydrophobicContact CG-CD1 4.43Å; L208-F268 CarbonylContact O-C 3.55Å; L208-F268 VanDerWaalsContact O-CA 3.26Å; L208-F268 WeakPolarHBondContact O-CA 3.34Å; M209-F268 HydrophobicContact CB-CD1 3.7Å; M209-F268 HydrophobicContact CB-CE1 3.6Å; M209-F268 HydrophobicContact CB-CZ 4.44Å; M209-F268 HydrophobicContact CE-CZ 4.02Å; M209-F268 HydrophobicContact CG-CD1 3.83Å; M209-F268 HydrophobicContact CG-CE1 3.43Å; M209-F268 VanDerWaalsContact CG-CE1 3.43Å; M209-F268 HydrophobicContact CG-CE2 4.45Å; M209-F268 HydrophobicContact CG-CG 4.48Å; M209-F268 HydrophobicContact CG-CZ 3.79Å; M209-F268 HydrophobicContact SD-CD1 4.46Å; M209-F268 HydrophobicContact SD-CE1 3.49Å; M209-F268 WeakPolarHBondContact SD-CE1 3.49Å; M209-F268 HydrophobicContact SD-CZ 3.55Å; M209-F268 VanDerWaalsContact SD-CZ 3.55Å; W230-F268 HydrophobicContact CE3-CE1 4.34Å; F268-L317 WeakPolarHBondContact O-CA 3.43Å; F268-A318 WeakPolarHBondContact CA-O 3.21Å; F268-A318 HydrophobicContact CB-CB 4.39Å; F268-A318 WeakPolarHBondContact CB-O 3.5Å; F268-A318 PolarHBondContact N-O 3.33Å; F268-A318 PolarHBondContact O-N 2.66Å; F268-A318 VanDerWaalsContact O-O 3.11Å; F268-F320 AromaticContact CE2-CD1 3.84Å; F268-F320 HydrophobicContact CE2-CD1 3.84Å; F268-F320 AromaticContact CE2-CE1 3.56Å; F268-F320 HydrophobicContact CE2-CE1 3.56Å; F268-F320 HydrophobicContact CZ-CE1 4.12Å
269I96.4Very high93.5Very high0 Ų043.2 Ų43.20%023%0.225CC..EExtended strand (participates in β ladder)trans-111.3127.4174-47.1174000107.8L134 F135 F141 L208 I267 Y271 T301 P314 L317L134-I269 HydrophobicContact CD1-CD1 3.62Å; L134-I269 HydrophobicContact CD1-CG1 4.25Å; F135-I269 HydrophobicContact CZ-CD1 4.11Å; F141-I269 HydrophobicContact CZ-CG2 4.45Å; L208-I269 HydrophobicContact CD2-CB 4.35Å; L208-I269 HydrophobicContact CD2-CD1 3.79Å; L208-I269 HydrophobicContact CD2-CG1 4.15Å; L208-I269 PolarHBondContact N-O 2.89Å; L208-I269 PolarHBondContact O-N 3.2Å; I267-I269 HydrophobicContact CG2-CG1 4.17Å; I269-Y271 HydrophobicContact CB-CD2 4.43Å; I269-Y271 HydrophobicContact CB-CE2 3.87Å; I269-Y271 HydrophobicContact CD1-CE2 4.46Å; I269-Y271 HydrophobicContact CG2-CD2 3.98Å; I269-Y271 HydrophobicContact CG2-CE1 4.08Å; I269-Y271 HydrophobicContact CG2-CE2 3.51Å; I269-Y271 HydrophobicContact CG2-CG 4.46Å; I269-T301 HydrophobicContact CD1-CG2 4.11Å; I269-P314 HydrophobicContact CG2-CB 4.46Å; I269-L317 HydrophobicContact CG1-CD1 4.31Å
270L95.8Very high93.3Very high0 Ų040.3 Ų40.30%021%0.211CC..EExtended strand (participates in β ladder)trans-103.5114.9172.4-17073.7000108.7V145 F147 L196 W205 L207 A315 G316V145-L270 HydrophobicContact CG1-CD2 4.04Å; F147-L270 HydrophobicContact CB-CD2 4.23Å; F147-L270 HydrophobicContact CD1-CB 4.06Å; F147-L270 HydrophobicContact CD1-CD2 3.95Å; F147-L270 HydrophobicContact CE1-CB 3.77Å; F147-L270 HydrophobicContact CE2-CB 4.45Å; F147-L270 HydrophobicContact CG-CD2 4.06Å; F147-L270 HydrophobicContact CZ-CB 3.99Å; L196-L270 HydrophobicContact CD2-CD1 4.06Å; L196-L270 HydrophobicContact CD2-CD2 3.82Å; W205-L270 HydrophobicContact CB-CD1 3.86Å; W205-L270 HydrophobicContact CB-CG 4.41Å; W205-L270 HydrophobicContact CD2-CD2 4.28Å; W205-L270 HydrophobicContact CD2-CG 4.47Å; W205-L270 HydrophobicContact CE3-CD2 3.79Å; W205-L270 HydrophobicContact CE3-CG 3.85Å; W205-L270 HydrophobicContact CZ3-CD2 4.28Å; L207-L270 HydrophobicContact CB-CD1 4.41Å; L207-L270 HydrophobicContact CD1-CD1 4.22Å; L270-A315 PolarHBondContact O-N 3.39Å; L270-G316 PolarHBondContact N-O 3.14Å; L270-G316 PolarHBondContact O-N 3.44Å
271Y96Very high93.1Very high0 Ų043 Ų430%022%0.217CC..EExtended strand (participates in β ladder)trans-97.1137.3174.2-66.1-83000110.5W205 T206 L208 I269 F304 Y305 I312 T313 P314W205-Y271 CarbonylContact C-O 3.4Å; W205-Y271 VanDerWaalsContact CA-O 3.28Å; W205-Y271 WeakPolarHBondContact CA-O 3.46Å; T206-Y271 PolarHBondContact N-O 3.26Å; T206-Y271 PolarHBondContact O-N 2.83Å; L208-Y271 HydrophobicContact CB-CE2 4.32Å; I269-Y271 HydrophobicContact CB-CD2 4.43Å; I269-Y271 HydrophobicContact CB-CE2 3.87Å; I269-Y271 HydrophobicContact CD1-CE2 4.46Å; I269-Y271 HydrophobicContact CG2-CD2 3.98Å; I269-Y271 HydrophobicContact CG2-CE1 4.08Å; I269-Y271 HydrophobicContact CG2-CE2 3.51Å; I269-Y271 HydrophobicContact CG2-CG 4.46Å; Y271-F304 HydrophobicContact CE2-CE1 4.2Å; Y271-Y305 HydrophobicContact CD1-CD2 4.5Å; Y271-Y305 AromaticContact CE1-CD2 3.8Å; Y271-Y305 HydrophobicContact CE1-CD2 3.8Å; Y271-Y305 HydrophobicContact CE1-CE2 4.25Å; Y271-I312 HydrophobicContact CD1-CB 4.3Å; Y271-I312 HydrophobicContact CD1-CD1 3.89Å; Y271-I312 HydrophobicContact CD1-CG1 4.14Å; Y271-I312 HydrophobicContact CE1-CD1 4.19Å; Y271-I312 HydrophobicContact CG-CB 4.48Å; Y271-I312 HydrophobicContact CG-CD1 4.08Å; Y271-T313 CarbonylContact C-O 3.57Å; Y271-T313 WeakPolarHBondContact CA-O 3.08Å; Y271-P314 HydrophobicContact CD1-CB 3.97Å; Y271-P314 HydrophobicContact CE1-CB 3.81Å; Y271-P314 HydrophobicContact CE1-CG 4.39Å
272R94.8Very high92.9Very high54 Ų5448 Ų4820%0.20424%0.237CC..EExtended strand (participates in β ladder)trans-86.4131167.8-166.4178.371.4-173.9-0.9108.9L76 F203 W205 D274 I312 T313 A315L76-R272 VanDerWaalsContact CD2-NH1 3.34Å; L76-R272 VanDerWaalsContact CD2-NH2 3.26Å; F203-R272 HydrophobicContact CB-CG 3.78Å; F203-R272 HydrophobicContact CD1-CG 4.14Å; F203-R272 HydrophobicContact CD2-CG 4.41Å; F203-R272 HydrophobicContact CG-CG 3.86Å; W205-R272 HydrophobicContact CE3-CB 3.93Å; W205-R272 HydrophobicContact CE3-CG 4.22Å; W205-R272 HydrophobicContact CH2-CB 4.04Å; W205-R272 HydrophobicContact CH2-CG 3.76Å; W205-R272 HydrophobicContact CZ2-CG 4.3Å; W205-R272 HydrophobicContact CZ3-CB 3.48Å; W205-R272 VanDerWaalsContact CZ3-CB 3.48Å; W205-R272 HydrophobicContact CZ3-CG 3.71Å; R272-D274 IonicContact CZ-OD1 3.08Å; R272-D274 IonicContact NE-OD1 2.62Å; R272-D274 PolarHBondContact NE-OD1 3.2Å; R272-D274 IonicContact NH2-OD1 2.61Å; R272-D274 PolarHBondContact NH2-OD1 3.41Å; R272-D274 IonicContact NH2-OD2 3.1Å; R272-I312 WeakPolarHBondContact O-CA 3.36Å; R272-T313 PolarHBondContact N-O 2.63Å; R272-T313 PolarHBondContact O-N 3.29Å; R272-A315 HydrophobicContact CB-CB 4.3Å
273Q94.6Very high92.6Very high1 Ų149.2 Ų49.21%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-91.2116171.8-57.1-178.8-30.300109Y204 T206 N234 G276 I278 I312Y204-Q273 WeakPolarHBondContact O-CB 3.49Å; Y204-Q273 PolarHBondContact O-N 3.11Å; T206-Q273 PolarHBondContact OG1-NE2 3Å; N234-Q273 PolarHBondContact OD1-NE2 3.03Å; N234-Q273 PolarHBondContact OD1-OE1 3.14Å; Q273-G276 VanDerWaalsContact CB-O 3.3Å; Q273-G276 WeakPolarHBondContact CB-O 3.3Å; Q273-G276 PolarHBondContact OE1-O 3.22Å; Q273-G276 VanDerWaalsContact OE1-O 3.07Å; Q273-I278 HydrophobicContact CB-CD1 3.95Å; Q273-I278 HydrophobicContact CB-CG1 4.36Å; Q273-I278 HydrophobicContact CG-CD1 3.67Å; Q273-I278 HydrophobicContact CG-CG1 4.19Å; Q273-I312 HydrophobicContact CG-CG2 4.32Å
274D89.6Confident92.2Very high51 Ų5150 Ų5027%0.27323%0.233SC..SBendtrans-84-28.7-171.7-71.3-34.5000112.7R272 E311 T313R272-D274 IonicContact CZ-OD1 3.08Å; R272-D274 IonicContact NE-OD1 2.62Å; R272-D274 PolarHBondContact NE-OD1 3.2Å; R272-D274 IonicContact NH2-OD1 2.61Å; R272-D274 PolarHBondContact NH2-OD1 3.41Å; R272-D274 IonicContact NH2-OD2 3.1Å; D274-E311 PolarHBondContact N-O 3.27Å; D274-T313 PolarHBondContact OD2-OG1 3.32Å
275H89.6Confident91.7Very high150 Ų15051.8 Ų51.869%0.69424%0.241SC*.SBendtrans-102.811.7-175.3-62.9-41.6000114.7D310H275-D310 PolarHBondContact CD2-O 3.45Å; H275-D310 PolarHBondContact NE2-O 3.29Å
276G88.5Confident90.9Very high20 Ų2052.5 Ų52.521%0.20626%0.259CS..SBendtrans99.5-151-178.700000112.3Q273Q273-G276 VanDerWaalsContact CB-O 3.3Å; Q273-G276 WeakPolarHBondContact CB-O 3.3Å; Q273-G276 PolarHBondContact OE1-O 3.22Å; Q273-G276 VanDerWaalsContact OE1-O 3.07Å
277K91.1Very high90Very high132 Ų13257.6 Ų57.657%0.57429%0.285SS*.  trans-68.2138.3-178.6-68.8-172.9175-170.30110.9Y204 N234Y204-K277 HydrophobicContact CD1-CG 3.91Å; Y204-K277 HydrophobicContact CD2-CG 4.2Å; Y204-K277 HydrophobicContact CE1-CD 4.02Å; Y204-K277 HydrophobicContact CE1-CG 3.51Å; Y204-K277 HydrophobicContact CE2-CG 3.89Å; Y204-K277 HydrophobicContact CG-CG 4.22Å; Y204-K277 WeakPolarHBondContact OH-CE 3.5Å; N234-K277 HydrophobicContact CB-CG 4.42Å
278I90.5Very high88.9Confident12 Ų1258 Ų586%0.06229%0.289CS..  trans-117.9135.3179.4-52.5173.9000109N234 Q273 L280 E311 I312N234-I278 PolarHBondContact ND2-O 2.82Å; N234-I278 VanDerWaalsContact ND2-O 3.11Å; N234-I278 PolarHBondContact OD1-N 3.43Å; N234-I278 PolarHBondContact OD1-O 2.83Å; Q273-I278 HydrophobicContact CB-CD1 3.95Å; Q273-I278 HydrophobicContact CB-CG1 4.36Å; Q273-I278 HydrophobicContact CG-CD1 3.67Å; Q273-I278 HydrophobicContact CG-CG1 4.19Å; I278-L280 HydrophobicContact CB-CG 4.41Å; I278-L280 HydrophobicContact CG2-CD1 4.29Å; I278-L280 HydrophobicContact CG2-CD2 3.82Å; I278-L280 HydrophobicContact CG2-CG 3.78Å; I278-E311 HydrophobicContact CD1-CB 3.73Å; I278-E311 VanDerWaalsContact CG2-OE2 3.23Å; I278-E311 WeakPolarHBondContact CG2-OE2 3.31Å; I278-I312 HydrophobicContact CD1-CG2 3.45Å; I278-I312 VanDerWaalsContact CD1-CG2 3.45Å
279D90.2Very high87.5Confident133 Ų13363 Ų6371%0.71132%0.319SS*.  trans-91.9100.3175.3-75.7-15.3000110.3
280L88.9Confident86.1Confident2 Ų264.2 Ų64.21%0.0133%0.331CS..  trans-100.825-177.2-66.2170.1000113.4T206 M231 T233 I249 I278 Q282 W283 F304 L308T206-L280 HydrophobicContact CG2-CD1 4.5Å; M231-L280 HydrophobicContact CE-CB 4.33Å; M231-L280 HydrophobicContact CE-CD1 3.74Å; T233-L280 HydrophobicContact CG2-CB 4.08Å; T233-L280 HydrophobicContact CG2-CD1 3.38Å; T233-L280 HydrophobicContact CG2-CG 4.24Å; I249-L280 HydrophobicContact CD1-CB 4.48Å; I249-L280 HydrophobicContact CG1-CB 4.34Å; I278-L280 HydrophobicContact CB-CG 4.41Å; I278-L280 HydrophobicContact CG2-CD1 4.29Å; I278-L280 HydrophobicContact CG2-CD2 3.82Å; I278-L280 HydrophobicContact CG2-CG 3.78Å; L280-Q282 PolarHBondContact O-N 3.35Å; L280-Q282 VanDerWaalsContact O-N 3.09Å; L280-W283 PolarHBondContact O-N 3.04Å; L280-F304 HydrophobicContact CD1-CZ 4.44Å; L280-F304 HydrophobicContact CD2-CE2 4.44Å; L280-L308 HydrophobicContact CD2-CD1 3.47Å; L280-L308 VanDerWaalsContact CD2-CD1 3.47Å; L280-L308 HydrophobicContact CD2-CD2 3.98Å; L280-L308 HydrophobicContact CD2-CG 4.37Å
281N87Confident84.5Confident96 Ų9669.8 Ų69.851%0.51337%0.369SS..G310 helixtrans-60-23-178.4-72.6-39.4000113.9W283 R284N281-W283 PolarHBondContact O-N 2.83Å; N281-R284 WeakPolarHBondContact O-CB 2.88Å; N281-R284 PolarHBondContact O-N 3Å; N281-R284 VanDerWaalsContact O-N 3.13Å
282Q88.5Confident83.3Confident146 Ų14671 Ų7168%0.68238%0.381SS*.G310 helixtrans-61-28.1174.369.2-176.9-8.300113.1L280L280-Q282 PolarHBondContact O-N 3.35Å; L280-Q282 VanDerWaalsContact O-N 3.09Å
283W86Confident82.6Confident59 Ų5969.2 Ų69.222%0.22338%0.376CS..G310 helixtrans-94.72.5180-60.8103.9000112.7I249 L280 N281 K285 F299 F304I249-W283 HydrophobicContact CG2-CB 4.38Å; L280-W283 PolarHBondContact O-N 3.04Å; N281-W283 PolarHBondContact O-N 2.83Å; W283-K285 PolarHBondContact O-N 3.17Å; W283-F299 HydrophobicContact CE3-CD2 4.47Å; W283-F299 AromaticContact CE3-CE2 3.91Å; W283-F299 HydrophobicContact CE3-CE2 3.91Å; W283-F299 HydrophobicContact CZ3-CE2 4.08Å; W283-F304 HydrophobicContact CD2-CD2 4.1Å; W283-F304 AromaticContact CE2-CD2 3.77Å; W283-F304 HydrophobicContact CG-CD2 4.4Å; W283-F304 HydrophobicContact CG-CE2 4.49Å; W283-F304 HydrophobicContact CH2-CB 4.46Å; W283-F304 HydrophobicContact CZ2-CD2 4.07Å; W283-F304 AromaticContact NE1-CD2 3.8Å; W283-F304 AromaticContact NE1-CE2 3.98Å
284R86.9Confident81.9Confident156 Ų15673.4 Ų73.459%0.58940%0.395SS*.  trans-61.1124.6-177.8179.4175.3-94.3-104.9-6.7110.1E248 I249 N281E248-R284 PolarHBondContact O-NH2 2.9Å; I249-R284 HydrophobicContact CG2-CB 4.1Å; I249-R284 WeakPolarHBondContact O-CA 3.34Å; N281-R284 WeakPolarHBondContact O-CB 2.88Å; N281-R284 PolarHBondContact O-N 3Å; N281-R284 VanDerWaalsContact O-N 3.13Å
285K84.8Confident81.6Confident43 Ų4376.2 Ų76.219%0.18742%0.419CS..  trans-123.1146.4178.9-74.2159.1160.8-140.40109.8I228 I249 I250 P251 W283 E296 G298I228-K285 HydrophobicContact CG2-CD 4.38Å; I249-K285 PolarHBondContact O-N 2.77Å; I250-K285 HydrophobicContact CD1-CD 3.86Å; I250-K285 HydrophobicContact CG1-CB 4.17Å; I250-K285 HydrophobicContact CG1-CD 4.38Å; I250-K285 HydrophobicContact CG2-CB 4.4Å; P251-K285 WeakPolarHBondContact CD-O 3.3Å; W283-K285 PolarHBondContact O-N 3.17Å; K285-E296 WeakPolarHBondContact CD-O 3.34Å; K285-E296 WeakPolarHBondContact CE-O 3.48Å; K285-E296 PolarHBondContact NZ-O 2.94Å; K285-G298 PolarHBondContact NZ-O 3.33Å
286G79.3Confident81.4Confident48 Ų4872 Ų7250%0.49540%0.399SS..  trans-77.2176.6177.400000113.1
287N77.2Confident81.4Confident106 Ų10671 Ų7157%0.56739%0.389SS*.  trans-67.7135.7163.5-79.2-33.1000109.3P251 T289P251-N287 WeakPolarHBondContact CB-OD1 3.42Å; P251-N287 WeakPolarHBondContact CG-OD1 3.45Å; N287-T289 PolarHBondContact O-N 2.87Å
288P75Confident81.3Confident10 Ų1065.7 Ų65.77%0.06537%0.372CS..  trans-68.3134.5-176.327.6-32.5000110.5M253 L293 E296 L336M253-P288 HydrophobicContact SD-CG 4.43Å; P288-L293 HydrophobicContact CB-CD1 3.86Å; P288-L293 HydrophobicContact CG-CD1 4.08Å; P288-E296 WeakPolarHBondContact CA-OE2 3.34Å; P288-E296 WeakPolarHBondContact CB-OE2 3.5Å; P288-L336 HydrophobicContact CB-CD2 4Å; P288-L336 HydrophobicContact CG-CD2 3.88Å
289T66.2Low81.3Confident105 Ų10565.6 Ų65.664%0.64437%0.372SS*.  trans-128.7121.417751.10000110.7N287 E296N287-T289 PolarHBondContact O-N 2.87Å; T289-E296 PolarHBondContact N-OE2 3.13Å
290G66.9Low81.3Confident24 Ų2459.9 Ų59.925%0.24734%0.342CS..G310 helixtrans76.1-150.5176.700000114.5G292 L336G290-G292 PolarHBondContact O-N 2.92Å; G290-G292 VanDerWaalsContact O-N 3.15Å; G290-L336 CarbonylContact C-O 3.58Å; G290-L336 WeakPolarHBondContact CA-O 3.34Å; G290-L336 PolarHBondContact N-O 3.25Å
291C62.6Low81.5Confident118 Ų11859.8 Ų59.880%0.79734%0.341SS*.G310 helixtrans-733.3-178.4-64.40000115L293C291-L293 VanDerWaalsContact C-N 3.28Å; C291-L293 PolarHBondContact O-N 3.1Å
292G71.4Confident81.8Confident25 Ų2558.1 Ų58.126%0.25833%0.332SS..G310 helixtrans-81.35.2-174.800000115.8G290 Q294 S295 E296G290-G292 PolarHBondContact O-N 2.92Å; G290-G292 VanDerWaalsContact O-N 3.15Å; G292-Q294 VanDerWaalsContact C-N 3.27Å; G292-Q294 PolarHBondContact O-N 2.87Å; G292-Q294 VanDerWaalsContact O-N 3.11Å; G292-S295 PolarHBondContact O-N 3.19Å; G292-E296 PolarHBondContact O-N 2.77Å
293L80.6Confident81.9Confident16 Ų1657 Ų578%0.08433%0.327CS..Hα-helixtrans-50.1-44.8-168.7-177.666.9000113.2Y227 M253 I256 P288 C291 E296 R297 L336Y227-L293 HydrophobicContact CE2-CD2 3.94Å; Y227-L293 HydrophobicContact CE2-CG 4.2Å; M253-L293 HydrophobicContact CE-CD1 3.56Å; M253-L293 HydrophobicContact CE-CD2 4.3Å; M253-L293 HydrophobicContact SD-CD1 3.94Å; I256-L293 HydrophobicContact CD1-CD2 3.76Å; P288-L293 HydrophobicContact CB-CD1 3.86Å; P288-L293 HydrophobicContact CG-CD1 4.08Å; C291-L293 VanDerWaalsContact C-N 3.28Å; C291-L293 PolarHBondContact O-N 3.1Å; L293-E296 PolarHBondContact O-N 2.94Å; L293-R297 HydrophobicContact CD1-CB 4.3Å; L293-R297 HydrophobicContact CD1-CG 3.78Å; L293-R297 WeakPolarHBondContact O-CB 3.43Å; L293-R297 PolarHBondContact O-N 2.88Å; L293-L336 HydrophobicContact CD1-CD2 4.19Å; L293-L336 HydrophobicContact CD2-CD1 4.21Å
294Q80Confident82.3Confident90 Ų9054.2 Ų54.242%0.42132%0.316SS..Hα-helixtrans-65.8-41.3-177.7-175.5171.13.500112.9P215 Y227 G292 G298P215-Q294 HydrophobicContact CG-CG 4.17Å; Y227-Q294 HydrophobicContact CE1-CB 4.36Å; Y227-Q294 HydrophobicContact CE1-CG 4.33Å; Y227-Q294 WeakPolarHBondContact OH-CA 3.32Å; Y227-Q294 WeakPolarHBondContact OH-CB 3.48Å; G292-Q294 VanDerWaalsContact C-N 3.27Å; G292-Q294 PolarHBondContact O-N 2.87Å; G292-Q294 VanDerWaalsContact O-N 3.11Å; Q294-G298 WeakPolarHBondContact O-CA 3.46Å; Q294-G298 PolarHBondContact O-N 2.81Å
295S81.3Confident82.6Confident109 Ų10947.8 Ų47.876%0.76229%0.292SS*.Hα-helixtrans-71.7-37.8-179.8-54.50000111.6G292G292-S295 PolarHBondContact O-N 3.19Å
296E85.7Confident83Confident61 Ų6154.7 Ų54.729%0.28532%0.317SS..Hα-helixtrans-78.9-37.7-176.9-67.9173.6152.300111.6K285 P288 T289 G292 L293K285-E296 WeakPolarHBondContact CD-O 3.34Å; K285-E296 WeakPolarHBondContact CE-O 3.48Å; K285-E296 PolarHBondContact NZ-O 2.94Å; P288-E296 WeakPolarHBondContact CA-OE2 3.34Å; P288-E296 WeakPolarHBondContact CB-OE2 3.5Å; T289-E296 PolarHBondContact N-OE2 3.13Å; G292-E296 PolarHBondContact O-N 2.77Å; L293-E296 PolarHBondContact O-N 2.94Å
297R89.4Confident83.7Confident0 Ų055.5 Ų55.50%032%0.315CS..Hα-helixtrans-106.7-9.4-176.1-60.5-56.2-169.3131.2-8.8114.9Y227 I228 H229 I250 P251 M253 L293 F299Y227-R297 WeakPolarHBondContact CA-O 3.18Å; Y227-R297 HydrophobicContact CD1-CB 4.17Å; Y227-R297 HydrophobicContact CG-CB 4.38Å; I228-R297 WeakPolarHBondContact CG2-O 3.45Å; I228-R297 PolarHBondContact N-O 3.49Å; I228-R297 WeakPolarHBondContact O-CD 3.32Å; I228-R297 PolarHBondContact O-NH1 2.83Å; H229-R297 PolarHBondContact O-NH1 2.83Å; I250-R297 VanDerWaalsContact CG2-NH1 3.29Å; P251-R297 PolarHBondContact O-NH1 2.8Å; P251-R297 VanDerWaalsContact O-NH1 3.1Å; P251-R297 PolarHBondContact O-NH2 3.26Å; M253-R297 HydrophobicContact SD-CG 3.97Å; L293-R297 HydrophobicContact CD1-CB 4.3Å; L293-R297 HydrophobicContact CD1-CG 3.78Å; L293-R297 WeakPolarHBondContact O-CB 3.43Å; L293-R297 PolarHBondContact O-N 2.88Å; R297-F299 PolarHBondContact O-N 2.97Å
298G88.7Confident84.5Confident21 Ų2151 Ų5122%0.21629%0.291CS..EExtended strand (participates in β ladder)trans-58.8125.7171.800000111.4K285 Q294K285-G298 PolarHBondContact NZ-O 3.33Å; Q294-G298 WeakPolarHBondContact O-CA 3.46Å; Q294-G298 PolarHBondContact O-N 2.81Å
299F90.2Very high85.2Confident10 Ų1055.8 Ų55.84%0.04431%0.313CS..EExtended strand (participates in β ladder)trans-144161.6-173.3-172.5-105.9000109.9L208 T210 E226 I228 W283 R297 T301 F304L208-F299 HydrophobicContact CD1-CE1 3.67Å; L208-F299 HydrophobicContact CD1-CZ 3.82Å; T210-F299 HydrophobicContact CG2-CD1 4.07Å; T210-F299 HydrophobicContact CG2-CE1 4.43Å; E226-F299 HydrophobicContact CG-CB 4.46Å; E226-F299 HydrophobicContact CG-CD1 4.49Å; E226-F299 WeakPolarHBondContact CG-O 3.13Å; E226-F299 PolarHBondContact N-O 3.07Å; E226-F299 VanDerWaalsContact N-O 3.14Å; E226-F299 PolarHBondContact O-N 3.35Å; E226-F299 VanDerWaalsContact OE1-CD1 3.31Å; E226-F299 WeakPolarHBondContact OE1-CD1 3.29Å; I228-F299 HydrophobicContact CB-CB 3.78Å; I228-F299 HydrophobicContact CB-CD1 4.21Å; I228-F299 HydrophobicContact CB-CD2 4.49Å; I228-F299 HydrophobicContact CB-CG 3.92Å; I228-F299 HydrophobicContact CD1-CD1 3.85Å; I228-F299 HydrophobicContact CD1-CD2 3.99Å; I228-F299 HydrophobicContact CD1-CE1 3.83Å; I228-F299 HydrophobicContact CD1-CE2 3.96Å; I228-F299 HydrophobicContact CD1-CG 3.92Å; I228-F299 HydrophobicContact CD1-CZ 3.85Å; I228-F299 HydrophobicContact CG2-CB 3.84Å; I228-F299 HydrophobicContact CG2-CD2 4.37Å; I228-F299 HydrophobicContact CG2-CG 4.15Å; W283-F299 HydrophobicContact CE3-CD2 4.47Å; W283-F299 AromaticContact CE3-CE2 3.91Å; W283-F299 HydrophobicContact CE3-CE2 3.91Å; W283-F299 HydrophobicContact CZ3-CE2 4.08Å; R297-F299 PolarHBondContact O-N 2.97Å; F299-T301 HydrophobicContact CD1-CG2 4.23Å; F299-T301 HydrophobicContact CE1-CG2 3.74Å; F299-F304 HydrophobicContact CE1-CB 4.01Å; F299-F304 HydrophobicContact CE1-CG 4.35Å; F299-F304 HydrophobicContact CE2-CB 3.99Å; F299-F304 HydrophobicContact CE2-CD2 4.24Å; F299-F304 HydrophobicContact CE2-CG 4.24Å; F299-F304 HydrophobicContact CZ-CB 3.33Å; F299-F304 HydrophobicContact CZ-CD1 4.07Å; F299-F304 AromaticContact CZ-CD2 3.85Å; F299-F304 HydrophobicContact CZ-CD2 3.85Å; F299-F304 AromaticContact CZ-CG 3.48Å; F299-F304 HydrophobicContact CZ-CG 3.48Å; F299-F304 VanDerWaalsContact CZ-CG 3.48Å
300S91.1Very high86.5Confident12 Ų1257.5 Ų57.58%0.08432%0.318CS..  trans-139.2106172.6175.80000108.6L302 E303 F304S300-L302 PolarHBondContact O-N 3.07Å; S300-E303 PolarHBondContact O-N 3.05Å; S300-E303 PolarHBondContact OG-N 3.47Å; S300-F304 WeakPolarHBondContact O-CB 3.19Å; S300-F304 PolarHBondContact O-N 2.73Å
301T93.4Very high87.8Confident1 Ų160 Ų601%0.00632%0.323CS..Hα-helixtrans-59.9-36.4177.531.60000110.9L134 L208 T210 E226 I269 F299 Y305L134-T301 WeakPolarHBondContact CA-OG1 3.4Å; L134-T301 HydrophobicContact CD2-CG2 4.3Å; L134-T301 PolarHBondContact O-OG1 3.06Å; L208-T301 HydrophobicContact CD1-CG2 4.42Å; L208-T301 HydrophobicContact CD2-CG2 3.69Å; T210-T301 HydrophobicContact CG2-CG2 4.08Å; E226-T301 VanDerWaalsContact CD-OG1 3.23Å; E226-T301 WeakPolarHBondContact OE1-CA 3.31Å; E226-T301 WeakPolarHBondContact OE1-CB 3.46Å; E226-T301 WeakPolarHBondContact OE1-CG2 3.48Å; E226-T301 PolarHBondContact OE1-N 2.79Å; E226-T301 PolarHBondContact OE1-OG1 3.47Å; E226-T301 PolarHBondContact OE2-OG1 3.04Å; E226-T301 VanDerWaalsContact OE2-OG1 3.1Å; I269-T301 HydrophobicContact CD1-CG2 4.11Å; F299-T301 HydrophobicContact CD1-CG2 4.23Å; F299-T301 HydrophobicContact CE1-CG2 3.74Å; T301-Y305 VanDerWaalsContact O-CB 3.22Å; T301-Y305 WeakPolarHBondContact O-CB 3.3Å; T301-Y305 PolarHBondContact O-N 3.2Å
302L91.9Very high89.3Confident61 Ų6154.4 Ų54.432%0.31929%0.285SS..Hα-helixtrans-59.1-52.1174.6-171.5158.3000111.2L134 F135 S300 Y305 R306L134-L302 WeakPolarHBondContact O-CB 3.46Å; L134-L302 PolarHBondContact O-N 3.5Å; F135-L302 WeakPolarHBondContact O-CD1 2.95Å; S300-L302 PolarHBondContact O-N 3.07Å; L302-Y305 PolarHBondContact O-N 2.85Å; L302-R306 WeakPolarHBondContact O-CB 3.02Å; L302-R306 PolarHBondContact O-N 2.83Å
303E91.9Very high90.5Very high123 Ų12354.2 Ų54.258%0.57528%0.279SS*.Hα-helixtrans-67.1-40.6-179.3-69.4-175.5168.900111.9S300 R306 S307S300-E303 PolarHBondContact O-N 3.05Å; S300-E303 PolarHBondContact OG-N 3.47Å; E303-R306 PolarHBondContact O-N 3.1Å; E303-S307 PolarHBondContact O-N 3.31Å
304F93.2Very high91.2Very high0 Ų053.5 Ų53.50%028%0.275CS..Hα-helixtrans-58-52174.4170.5-101.8000111.4L208 M231 Y271 L280 W283 F299 S300 R306 S307 L308 I312L208-F304 HydrophobicContact CD1-CD1 4.38Å; L208-F304 HydrophobicContact CD1-CE1 4.32Å; M231-F304 HydrophobicContact CE-CE2 3.49Å; M231-F304 VanDerWaalsContact CE-CE2 3.49Å; M231-F304 HydrophobicContact CE-CZ 3.5Å; Y271-F304 HydrophobicContact CE2-CE1 4.2Å; L280-F304 HydrophobicContact CD1-CZ 4.44Å; L280-F304 HydrophobicContact CD2-CE2 4.44Å; W283-F304 HydrophobicContact CD2-CD2 4.1Å; W283-F304 AromaticContact CE2-CD2 3.77Å; W283-F304 HydrophobicContact CG-CD2 4.4Å; W283-F304 HydrophobicContact CG-CE2 4.49Å; W283-F304 HydrophobicContact CH2-CB 4.46Å; W283-F304 HydrophobicContact CZ2-CD2 4.07Å; W283-F304 AromaticContact NE1-CD2 3.8Å; W283-F304 AromaticContact NE1-CE2 3.98Å; F299-F304 HydrophobicContact CE1-CB 4.01Å; F299-F304 HydrophobicContact CE1-CG 4.35Å; F299-F304 HydrophobicContact CE2-CB 3.99Å; F299-F304 HydrophobicContact CE2-CD2 4.24Å; F299-F304 HydrophobicContact CE2-CG 4.24Å; F299-F304 HydrophobicContact CZ-CB 3.33Å; F299-F304 HydrophobicContact CZ-CD1 4.07Å; F299-F304 AromaticContact CZ-CD2 3.85Å; F299-F304 HydrophobicContact CZ-CD2 3.85Å; F299-F304 AromaticContact CZ-CG 3.48Å; F299-F304 HydrophobicContact CZ-CG 3.48Å; F299-F304 VanDerWaalsContact CZ-CG 3.48Å; S300-F304 WeakPolarHBondContact O-CB 3.19Å; S300-F304 PolarHBondContact O-N 2.73Å; F304-R306 VanDerWaalsContact C-N 3.35Å; F304-R306 PolarHBondContact O-N 3.3Å; F304-S307 PolarHBondContact O-N 3.08Å; F304-S307 PolarHBondContact O-OG 3.37Å; F304-L308 HydrophobicContact CD2-CD1 3.9Å; F304-L308 HydrophobicContact CE1-CD1 4.25Å; F304-L308 HydrophobicContact CE2-CD1 3.3Å; F304-L308 HydrophobicContact CZ-CD1 3.5Å; F304-L308 VanDerWaalsContact CZ-CD1 3.5Å; F304-L308 PolarHBondContact O-N 2.94Å; F304-I312 HydrophobicContact CD1-CD1 4.33Å; F304-I312 HydrophobicContact CE1-CD1 3.52Å; F304-I312 HydrophobicContact CZ-CD1 3.9Å
305Y94Very high91.9Very high21 Ų2149.2 Ų49.28%0.08226%0.255CS..Hα-helixtrans-62.8-43.6179.8-178-114.3000111.1I74 F135 Y271 T301 L302 S307 L308 E309 I312 P314I74-Y305 HydrophobicContact CB-CE1 4.27Å; I74-Y305 HydrophobicContact CD1-CD1 4.33Å; I74-Y305 HydrophobicContact CD1-CE1 3.81Å; I74-Y305 HydrophobicContact CG2-CE1 4.46Å; F135-Y305 HydrophobicContact CD1-CD1 4.2Å; F135-Y305 HydrophobicContact CD1-CG 4.42Å; F135-Y305 HydrophobicContact CE1-CD1 4.31Å; F135-Y305 HydrophobicContact CE1-CG 4.14Å; Y271-Y305 HydrophobicContact CD1-CD2 4.5Å; Y271-Y305 AromaticContact CE1-CD2 3.8Å; Y271-Y305 HydrophobicContact CE1-CD2 3.8Å; Y271-Y305 HydrophobicContact CE1-CE2 4.25Å; T301-Y305 VanDerWaalsContact O-CB 3.22Å; T301-Y305 WeakPolarHBondContact O-CB 3.3Å; T301-Y305 PolarHBondContact O-N 3.2Å; L302-Y305 PolarHBondContact O-N 2.85Å; Y305-S307 PolarHBondContact O-N 3.14Å; Y305-L308 CarbonylContact O-C 3.41Å; Y305-L308 PolarHBondContact O-N 2.91Å; Y305-E309 HydrophobicContact CE1-CG 4.26Å; Y305-E309 WeakPolarHBondContact O-CA 3.43Å; Y305-E309 PolarHBondContact O-N 2.92Å; Y305-I312 HydrophobicContact CD2-CD1 4.32Å; Y305-I312 HydrophobicContact CD2-CG1 4.18Å; Y305-I312 HydrophobicContact CE2-CG1 4.34Å; Y305-I312 WeakPolarHBondContact CE2-O 3.28Å; Y305-P314 HydrophobicContact CE2-CG 4.42Å
306R92.9Very high92.6Very high187 Ų18744 Ų4471%0.70622%0.219SC*.Hα-helixtrans-59.6-31.7177.2-170.5176.7-171.6171.23.6113.2L302 E303 F304 L308L302-R306 WeakPolarHBondContact O-CB 3.02Å; L302-R306 PolarHBondContact O-N 2.83Å; E303-R306 PolarHBondContact O-N 3.1Å; F304-R306 VanDerWaalsContact C-N 3.35Å; F304-R306 PolarHBondContact O-N 3.3Å; R306-L308 VanDerWaalsContact C-N 3.33Å
307S93.6Very high93.1Very high66 Ų6641.3 Ų41.346%0.46221%0.207SC..Hα-helixtrans-75.9-21.2177.571.60000113.8E303 F304 Y305E303-S307 PolarHBondContact O-N 3.31Å; F304-S307 PolarHBondContact O-N 3.08Å; F304-S307 PolarHBondContact O-OG 3.37Å; Y305-S307 PolarHBondContact O-N 3.14Å
308L93.7Very high93.4Very high12 Ų1241.7 Ų41.76%0.06321%0.21CC..Hα-helixtrans-125.515.5-172.2-63.7165.7000112.7L280 F304 Y305 R306 D310 E311 I312L280-L308 HydrophobicContact CD2-CD1 3.47Å; L280-L308 VanDerWaalsContact CD2-CD1 3.47Å; L280-L308 HydrophobicContact CD2-CD2 3.98Å; L280-L308 HydrophobicContact CD2-CG 4.37Å; F304-L308 HydrophobicContact CD2-CD1 3.9Å; F304-L308 HydrophobicContact CE1-CD1 4.25Å; F304-L308 HydrophobicContact CE2-CD1 3.3Å; F304-L308 HydrophobicContact CZ-CD1 3.5Å; F304-L308 VanDerWaalsContact CZ-CD1 3.5Å; F304-L308 PolarHBondContact O-N 2.94Å; Y305-L308 CarbonylContact O-C 3.41Å; Y305-L308 PolarHBondContact O-N 2.91Å; R306-L308 VanDerWaalsContact C-N 3.33Å; L308-D310 PolarHBondContact O-N 3.47Å; L308-E311 PolarHBondContact O-N 2.99Å; L308-I312 HydrophobicContact CB-CD1 3.78Å; L308-I312 HydrophobicContact CB-CG1 3.74Å; L308-I312 HydrophobicContact CD1-CD1 4.03Å; L308-I312 WeakPolarHBondContact O-CG1 3.38Å; L308-I312 PolarHBondContact O-N 2.68Å
309E91.6Very high93.8Very high109 Ų10940.7 Ų40.751%0.50920%0.199SC..THydrogen-bonded Turntrans-55.1-32.6-172.9-172.5177.5174.700112.3Y305Y305-E309 HydrophobicContact CE1-CG 4.26Å; Y305-E309 WeakPolarHBondContact O-CA 3.43Å; Y305-E309 PolarHBondContact O-N 2.92Å
310D92.4Very high94.1Very high142 Ų14240.2 Ų40.276%0.75920%0.197SC*.THydrogen-bonded Turntrans-75.8-23.3178.1-64.3-33.8000113.5H275 L308H275-D310 PolarHBondContact CD2-O 3.45Å; H275-D310 PolarHBondContact NE2-O 3.29Å; L308-D310 PolarHBondContact O-N 3.47Å
311E93.9Very high94.4Very high75 Ų7541.5 Ų41.535%0.3520%0.202SC..THydrogen-bonded Turntrans-105.3-31.1-172-59.6-173.3167.900113.7D274 I278 L308D274-E311 PolarHBondContact N-O 3.27Å; I278-E311 HydrophobicContact CD1-CB 3.73Å; I278-E311 VanDerWaalsContact CG2-OE2 3.23Å; I278-E311 WeakPolarHBondContact CG2-OE2 3.31Å; L308-E311 PolarHBondContact O-N 2.99Å
312I94.6Very high94.5Very high1 Ų141.5 Ų41.51%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-122.1137.5-175.767175.8000112.2Y271 R272 Q273 I278 F304 Y305 L308Y271-I312 HydrophobicContact CD1-CB 4.3Å; Y271-I312 HydrophobicContact CD1-CD1 3.89Å; Y271-I312 HydrophobicContact CD1-CG1 4.14Å; Y271-I312 HydrophobicContact CE1-CD1 4.19Å; Y271-I312 HydrophobicContact CG-CB 4.48Å; Y271-I312 HydrophobicContact CG-CD1 4.08Å; R272-I312 WeakPolarHBondContact O-CA 3.36Å; Q273-I312 HydrophobicContact CG-CG2 4.32Å; I278-I312 HydrophobicContact CD1-CG2 3.45Å; I278-I312 VanDerWaalsContact CD1-CG2 3.45Å; F304-I312 HydrophobicContact CD1-CD1 4.33Å; F304-I312 HydrophobicContact CE1-CD1 3.52Å; F304-I312 HydrophobicContact CZ-CD1 3.9Å; Y305-I312 HydrophobicContact CD2-CD1 4.32Å; Y305-I312 HydrophobicContact CD2-CG1 4.18Å; Y305-I312 HydrophobicContact CE2-CG1 4.34Å; Y305-I312 WeakPolarHBondContact CE2-O 3.28Å; L308-I312 HydrophobicContact CB-CD1 3.78Å; L308-I312 HydrophobicContact CB-CG1 3.74Å; L308-I312 HydrophobicContact CD1-CD1 4.03Å; L308-I312 WeakPolarHBondContact O-CG1 3.38Å; L308-I312 PolarHBondContact O-N 2.68Å
313T95.8Very high94.7Very high22 Ų2241 Ų4114%0.13520%0.201CC..EExtended strand (participates in β ladder)trans-123.3126.6174.7-54.50000110.5L76 Y271 R272 D274 A315L76-T313 HydrophobicContact CD2-CG2 3.68Å; L76-T313 HydrophobicContact CG-CG2 4.31Å; Y271-T313 CarbonylContact C-O 3.57Å; Y271-T313 WeakPolarHBondContact CA-O 3.08Å; R272-T313 PolarHBondContact N-O 2.63Å; R272-T313 PolarHBondContact O-N 3.29Å; D274-T313 PolarHBondContact OD2-OG1 3.32Å; T313-A315 PolarHBondContact O-N 3.48Å
314P96.4Very high94.9Very high0 Ų038.3 Ų38.30%019%0.186CC..EExtended strand (participates in β ladder)trans-65.3128.2177.226.5-33.9000110.6I74 F141 I269 Y271 Y305I74-P314 HydrophobicContact CD1-CG 4.11Å; I74-P314 HydrophobicContact CG1-CG 4Å; I74-P314 WeakPolarHBondContact O-CD 3.34Å; I74-P314 WeakPolarHBondContact O-CG 3.2Å; F141-P314 HydrophobicContact CB-CG 4.34Å; F141-P314 HydrophobicContact CD1-CB 3.89Å; F141-P314 HydrophobicContact CD1-CG 4Å; F141-P314 HydrophobicContact CD2-CB 4.07Å; F141-P314 HydrophobicContact CD2-CG 4.47Å; F141-P314 HydrophobicContact CE1-CB 3.83Å; F141-P314 HydrophobicContact CE1-CG 4.42Å; F141-P314 HydrophobicContact CE2-CB 4.03Å; F141-P314 HydrophobicContact CG-CB 4.02Å; F141-P314 HydrophobicContact CG-CG 4.04Å; F141-P314 HydrophobicContact CZ-CB 3.92Å; I269-P314 HydrophobicContact CG2-CB 4.46Å; Y271-P314 HydrophobicContact CD1-CB 3.97Å; Y271-P314 HydrophobicContact CE1-CB 3.81Å; Y271-P314 HydrophobicContact CE1-CG 4.39Å; Y305-P314 HydrophobicContact CE2-CG 4.42Å
315A94.9Very high94.9Very high0 Ų040.8 Ų40.80%020%0.199CC..EExtended strand (participates in β ladder)trans-126.1-35.2-169.600000113.2L76 P143 V144 V145 W205 L270 R272 T313L76-A315 HydrophobicContact CD1-CB 3.53Å; L76-A315 HydrophobicContact CG-CB 4.04Å; P143-A315 CarbonylContact C-O 3.59Å; P143-A315 WeakPolarHBondContact CA-O 3.23Å; V144-A315 PolarHBondContact N-O 2.75Å; V145-A315 HydrophobicContact CB-CB 4.26Å; V145-A315 HydrophobicContact CG2-CB 3.88Å; V145-A315 PolarHBondContact N-O 3.28Å; W205-A315 HydrophobicContact CZ3-CB 3.68Å; L270-A315 PolarHBondContact O-N 3.39Å; R272-A315 HydrophobicContact CB-CB 4.3Å; T313-A315 PolarHBondContact O-N 3.48Å
316G94.6Very high94.9Very high0 Ų045.9 Ų45.90%022%0.224CC..EExtended strand (participates in β ladder)trans-131.4150-178.700000111.7L270L270-G316 PolarHBondContact N-O 3.14Å; L270-G316 PolarHBondContact O-N 3.44Å
317L96.2Very high94.9Very high5 Ų537.5 Ų37.53%0.02619%0.194CC..EExtended strand (participates in β ladder)trans-138131.3173.5-173.574.3000110A125 I130 F131 F141 P143 I267 F268 I269A125-L317 HydrophobicContact CB-CD2 3.37Å; I130-L317 HydrophobicContact CD1-CD2 4.42Å; I130-L317 HydrophobicContact CG2-CD1 4.26Å; I130-L317 HydrophobicContact CG2-CD2 4.34Å; F131-L317 HydrophobicContact CZ-CD2 4.4Å; F141-L317 HydrophobicContact CE2-CB 4.32Å; F141-L317 HydrophobicContact CZ-CB 4.07Å; F141-L317 HydrophobicContact CZ-CD1 4.34Å; P143-L317 HydrophobicContact CB-CB 3.82Å; P143-L317 HydrophobicContact CG-CB 4.35Å; I267-L317 HydrophobicContact CG2-CD1 3.54Å; F268-L317 WeakPolarHBondContact O-CA 3.43Å; I269-L317 HydrophobicContact CG1-CD1 4.31Å
318A96Very high94.9Very high7 Ų734.4 Ų34.46%0.05817%0.172CC..EExtended strand (participates in β ladder)trans-139.4146.4168.300000108.2F147 I149 V177 F268F147-A318 HydrophobicContact CE1-CB 4.19Å; F147-A318 HydrophobicContact CE2-CB 4.29Å; F147-A318 HydrophobicContact CZ-CB 3.79Å; I149-A318 HydrophobicContact CD1-CB 3.92Å; V177-A318 HydrophobicContact CG1-CB 4.44Å; F268-A318 WeakPolarHBondContact CA-O 3.21Å; F268-A318 HydrophobicContact CB-CB 4.39Å; F268-A318 WeakPolarHBondContact CB-O 3.5Å; F268-A318 PolarHBondContact N-O 3.33Å; F268-A318 PolarHBondContact O-N 2.66Å; F268-A318 VanDerWaalsContact O-O 3.11Å
319F97Very high94.9Very high1 Ų138.1 Ų38.10%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-158.2152.7179.170.5-82.2000111V124 Y128 I130 F178 G180 Y266 I267V124-F319 HydrophobicContact CG1-CE1 3.93Å; V124-F319 HydrophobicContact CG1-CZ 3.66Å; Y128-F319 HydrophobicContact CD1-CE2 4.1Å; Y128-F319 AromaticContact CD2-CE2 3.64Å; Y128-F319 HydrophobicContact CD2-CE2 3.64Å; Y128-F319 AromaticContact CD2-CZ 3.37Å; Y128-F319 HydrophobicContact CD2-CZ 3.37Å; Y128-F319 HydrophobicContact CE1-CE2 4.37Å; Y128-F319 AromaticContact CE2-CE2 3.95Å; Y128-F319 HydrophobicContact CE2-CE2 3.95Å; Y128-F319 AromaticContact CE2-CZ 3.78Å; Y128-F319 HydrophobicContact CE2-CZ 3.78Å; Y128-F319 AromaticContact CG-CE2 3.7Å; Y128-F319 HydrophobicContact CG-CE2 3.7Å; Y128-F319 AromaticContact CG-CZ 3.84Å; Y128-F319 HydrophobicContact CG-CZ 3.84Å; I130-F319 HydrophobicContact CD1-CB 4.25Å; I130-F319 HydrophobicContact CD1-CD1 3.32Å; I130-F319 HydrophobicContact CD1-CD2 3.79Å; I130-F319 HydrophobicContact CD1-CE1 3.45Å; I130-F319 VanDerWaalsContact CD1-CE1 3.45Å; I130-F319 HydrophobicContact CD1-CE2 3.89Å; I130-F319 HydrophobicContact CD1-CG 3.51Å; I130-F319 HydrophobicContact CD1-CZ 3.74Å; F178-F319 CarbonylContact C-O 3.53Å; F178-F319 PolarHBondContact O-N 3.22Å; G180-F319 PolarHBondContact N-O 3.34Å; Y266-F319 CarbonylContact O-C 3.58Å; Y266-F319 WeakPolarHBondContact O-CA 3.16Å; Y266-F319 VanDerWaalsContact O-CB 3.25Å; Y266-F319 WeakPolarHBondContact O-CB 3.19Å; I267-F319 HydrophobicContact CB-CB 4.24Å; I267-F319 HydrophobicContact CG1-CB 3.98Å; I267-F319 HydrophobicContact CG2-CB 4.28Å
320F97.4Very high95Very high0 Ų035 Ų350%018%0.176CC..EExtended strand (participates in β ladder)trans-131.2167.1174.866.3-85.4000110.8Y151 V177 N181 I183 A188 M209 Y266 F268Y151-F320 AromaticContact CE2-CE1 3.95Å; Y151-F320 HydrophobicContact CE2-CE1 3.95Å; Y151-F320 HydrophobicContact CE2-CZ 4.2Å; V177-F320 HydrophobicContact CG1-CB 4.13Å; V177-F320 HydrophobicContact CG1-CD1 3.98Å; V177-F320 HydrophobicContact CG2-CD1 4.23Å; N181-F320 CarbonylContact O-C 3.53Å; N181-F320 WeakPolarHBondContact O-CA 3.15Å; N181-F320 WeakPolarHBondContact O-CB 3.32Å; I183-F320 HydrophobicContact CB-CD2 3.63Å; I183-F320 HydrophobicContact CB-CE2 4.04Å; I183-F320 HydrophobicContact CB-CG 4.25Å; I183-F320 HydrophobicContact CD1-CB 3.76Å; I183-F320 HydrophobicContact CD1-CD1 4.19Å; I183-F320 HydrophobicContact CD1-CD2 4.03Å; I183-F320 HydrophobicContact CD1-CG 3.75Å; I183-F320 HydrophobicContact CG1-CB 4Å; I183-F320 HydrophobicContact CG1-CD2 4.03Å; I183-F320 HydrophobicContact CG1-CG 4.14Å; A188-F320 HydrophobicContact CB-CZ 4.48Å; M209-F320 HydrophobicContact CE-CE1 4.11Å; M209-F320 HydrophobicContact CE-CZ 4.04Å; Y266-F320 VanDerWaalsContact CB-CE1 3.48Å; Y266-F320 VanDerWaalsContact CB-CZ 3.48Å; Y266-F320 HydrophobicContact CD2-CE2 4.04Å; Y266-F320 HydrophobicContact CD2-CZ 4.29Å; Y266-F320 HydrophobicContact CG-CE1 4.32Å; Y266-F320 HydrophobicContact CG-CE2 4.05Å; Y266-F320 AromaticContact CG-CZ 3.83Å; Y266-F320 HydrophobicContact CG-CZ 3.83Å; Y266-F320 PolarHBondContact N-O 2.74Å; Y266-F320 PolarHBondContact O-N 3.44Å; F268-F320 AromaticContact CE2-CD1 3.84Å; F268-F320 HydrophobicContact CE2-CD1 3.84Å; F268-F320 AromaticContact CE2-CE1 3.56Å; F268-F320 HydrophobicContact CE2-CE1 3.56Å; F268-F320 HydrophobicContact CZ-CE1 4.12Å
321Q97.1Very high95Very high39 Ų3929.4 Ų29.418%0.18214%0.144CC..EExtended strand (participates in β ladder)trans-106.4140.8170.8-61.2-167.8-45.700109.6Y128 N181 L182 I183 H264Y128-Q321 VanDerWaalsContact CE1-NE2 3.3Å; N181-Q321 PolarHBondContact O-N 2.99Å; L182-Q321 CarbonylContact C-O 3.56Å; L182-Q321 WeakPolarHBondContact CA-O 3.3Å; I183-Q321 PolarHBondContact N-O 2.97Å; H264-Q321 CarbonylContact O-C 3.54Å; H264-Q321 VanDerWaalsContact O-CA 3.3Å; H264-Q321 WeakPolarHBondContact O-CA 3.48Å
322S96.2Very high94.9Very high0 Ų026.3 Ų26.30%013%0.129CC..EExtended strand (participates in β ladder)trans-128.4158170.671.80000111.5I183 Y263 H264 Y266I183-S322 WeakPolarHBondContact O-CA 3.32Å; I183-S322 WeakPolarHBondContact O-CB 3.45Å; Y263-S322 WeakPolarHBondContact CA-O 3.34Å; H264-S322 PolarHBondContact N-O 3.27Å; H264-S322 PolarHBondContact O-N 2.89Å; Y266-S322 WeakPolarHBondContact CD2-OG 3.08Å; Y266-S322 WeakPolarHBondContact CE2-OG 3.46Å
323V95.4Very high94.8Very high51 Ų5132.7 Ų32.731%0.30915%0.153SC..EExtended strand (participates in β ladder)trans-124.9153.5179.1-176.70000107.9L182 P257 Y263 D325L182-V323 HydrophobicContact CD1-CG2 4.21Å; P257-V323 WeakPolarHBondContact CG-O 3.33Å; Y263-V323 HydrophobicContact CD1-CG2 3.15Å; Y263-V323 HydrophobicContact CE1-CG2 3.15Å; Y263-V323 HydrophobicContact CG-CG2 4.1Å; V323-D325 PolarHBondContact O-N 2.78Å
324W95.5Very high94.5Very high66 Ų6641 Ų4125%0.2518%0.184CC..  trans-51.1137.7171.4179.888.5000111.7P257 Q259P257-W324 VanDerWaalsContact O-CD1 3.31Å; Q259-W324 HydrophobicContact CB-CD2 4.05Å; Q259-W324 HydrophobicContact CB-CG 3.9Å; Q259-W324 HydrophobicContact CG-CD2 3.85Å; Q259-W324 HydrophobicContact CG-CE3 4.23Å; Q259-W324 HydrophobicContact CG-CG 4.15Å; Q259-W324 HydrophobicContact CG-CZ2 4.33Å
325D93.8Very high94.2Very high52 Ų5248.1 Ų48.128%0.27822%0.215SC..  trans-145.3168.8177.4-166.17.3000109.1A185 N186 V323 S327 V328A185-D325 HydrophobicContact CB-CB 4.48Å; N186-D325 WeakPolarHBondContact CB-OD2 3.42Å; V323-D325 PolarHBondContact O-N 2.78Å; D325-S327 PolarHBondContact O-N 3.4Å; D325-V328 WeakPolarHBondContact O-CB 3.29Å; D325-V328 PolarHBondContact O-N 3.15Å
326E93.9Very high93.9Very high128 Ų12848.1 Ų48.160%0.59822%0.215SC*.Hα-helixtrans-62.5-26.2-177.2-60.5-174.217700113.4V328 R329 S330E326-V328 VanDerWaalsContact C-N 3.28Å; E326-V328 PolarHBondContact O-N 3.35Å; E326-R329 WeakPolarHBondContact O-CB 3.13Å; E326-R329 PolarHBondContact O-N 3.27Å; E326-S330 PolarHBondContact O-N 3.16Å; E326-S330 VanDerWaalsContact O-N 3.16Å
327S93.1Very high93.5Very high11 Ų1154.7 Ų54.78%0.07725%0.25CC..Hα-helixtrans-64-31.7174.459.80000112.8N186 D325 S330 Y331N186-S327 WeakPolarHBondContact CA-OG 3.06Å; N186-S327 PolarHBondContact N-OG 3.11Å; N186-S327 VanDerWaalsContact N-OG 3.16Å; D325-S327 PolarHBondContact O-N 3.4Å; S327-S330 PolarHBondContact O-N 3.37Å; S327-S330 PolarHBondContact O-OG 2.94Å; S327-Y331 WeakPolarHBondContact O-CB 3.36Å; S327-Y331 PolarHBondContact O-N 3.08Å
328V94.2Very high93.1Very high2 Ų255.4 Ų55.41%0.01226%0.255CS..Hα-helixtrans-66.3-45.4177.1179.80000109.5A185 I256 P257 D325 E326 S330 Y331 F332A185-V328 HydrophobicContact CB-CG2 3.53Å; I256-V328 HydrophobicContact CB-CG1 4.11Å; I256-V328 HydrophobicContact CG2-CG1 4.4Å; P257-V328 HydrophobicContact CG-CG2 4.26Å; D325-V328 WeakPolarHBondContact O-CB 3.29Å; D325-V328 PolarHBondContact O-N 3.15Å; E326-V328 VanDerWaalsContact C-N 3.28Å; E326-V328 PolarHBondContact O-N 3.35Å; V328-S330 VanDerWaalsContact C-N 3.33Å; V328-S330 PolarHBondContact O-N 3.23Å; V328-Y331 WeakPolarHBondContact O-CB 3.24Å; V328-Y331 PolarHBondContact O-N 3.06Å; V328-Y331 VanDerWaalsContact O-N 3.16Å; V328-F332 HydrophobicContact CG1-CD2 3.81Å; V328-F332 HydrophobicContact CG1-CE2 3.65Å; V328-F332 VanDerWaalsContact O-CD2 3.3Å; V328-F332 WeakPolarHBondContact O-CD2 3.08Å; V328-F332 PolarHBondContact O-N 3.39Å
329R93.9Very high92.7Very high89 Ų8960.7 Ų60.734%0.33629%0.289SS..Hα-helixtrans-58.9-44176.4179.3172.169169.5-1.7112.2E326 Y331 F332 R333 E340E326-R329 WeakPolarHBondContact O-CB 3.13Å; E326-R329 PolarHBondContact O-N 3.27Å; R329-Y331 VanDerWaalsContact C-N 3.32Å; R329-F332 PolarHBondContact O-N 3.34Å; R329-R333 WeakPolarHBondContact O-CG 3.13Å; R329-R333 PolarHBondContact O-N 3.25Å; R329-R333 VanDerWaalsContact O-N 3.15Å; R329-E340 WeakPolarHBondContact CA-OE2 3.24Å; R329-E340 WeakPolarHBondContact CB-OE2 3.5Å; R329-E340 WeakPolarHBondContact CD-OE1 3.43Å; R329-E340 VanDerWaalsContact CG-OE1 3.25Å; R329-E340 WeakPolarHBondContact CG-OE1 3.38Å; R329-E340 VanDerWaalsContact CG-OE2 3.32Å; R329-E340 WeakPolarHBondContact CG-OE2 3.48Å
330S92.8Very high92.4Very high44 Ų4462.6 Ų62.631%0.30830%0.298SS..Hα-helixtrans-66.1-37.717870.80000111.1E326 S327 V328 R333 Y334E326-S330 PolarHBondContact O-N 3.16Å; E326-S330 VanDerWaalsContact O-N 3.16Å; S327-S330 PolarHBondContact O-N 3.37Å; S327-S330 PolarHBondContact O-OG 2.94Å; V328-S330 VanDerWaalsContact C-N 3.33Å; V328-S330 PolarHBondContact O-N 3.23Å; S330-R333 PolarHBondContact O-N 2.56Å; S330-Y334 WeakPolarHBondContact O-CB 3.41Å; S330-Y334 WeakPolarHBondContact O-CD2 3.49Å; S330-Y334 PolarHBondContact O-N 3.43Å
331Y92.5Very high92Very high25 Ų2564.7 Ų64.710%0.09831%0.312CS..Hα-helixtrans-60.9-47.7174.3-169.4-92.5000112.4M189 M253 P254 I256 S327 V328 R329 R333 K335 L336M189-Y331 HydrophobicContact CE-CD2 4.25Å; M253-Y331 HydrophobicContact CE-CE1 4.11Å; P254-Y331 HydrophobicContact CG-CD2 3.57Å; P254-Y331 HydrophobicContact CG-CE1 4.4Å; P254-Y331 HydrophobicContact CG-CE2 3.31Å; P254-Y331 HydrophobicContact CG-CG 4.23Å; I256-Y331 HydrophobicContact CG2-CD1 3.63Å; I256-Y331 HydrophobicContact CG2-CE1 4.02Å; I256-Y331 HydrophobicContact CG2-CG 4.31Å; S327-Y331 WeakPolarHBondContact O-CB 3.36Å; S327-Y331 PolarHBondContact O-N 3.08Å; V328-Y331 WeakPolarHBondContact O-CB 3.24Å; V328-Y331 PolarHBondContact O-N 3.06Å; V328-Y331 VanDerWaalsContact O-N 3.16Å; R329-Y331 VanDerWaalsContact C-N 3.32Å; Y331-R333 VanDerWaalsContact C-N 3.35Å; Y331-R333 PolarHBondContact O-N 3.38Å; Y331-K335 HydrophobicContact CD1-CB 4.43Å; Y331-K335 HydrophobicContact CD2-CB 3.95Å; Y331-K335 HydrophobicContact CD2-CG 3.79Å; Y331-K335 HydrophobicContact CE1-CB 4.33Å; Y331-K335 HydrophobicContact CE2-CB 3.83Å; Y331-K335 HydrophobicContact CE2-CG 3.78Å; Y331-K335 HydrophobicContact CG-CB 4.25Å; Y331-K335 HydrophobicContact CG-CG 4.48Å; Y331-K335 WeakPolarHBondContact O-CA 3.46Å; Y331-K335 VanDerWaalsContact O-CB 3.32Å; Y331-K335 WeakPolarHBondContact O-CB 3.19Å; Y331-K335 PolarHBondContact O-N 3.08Å; Y331-L336 HydrophobicContact CD1-CD1 3.88Å; Y331-L336 HydrophobicContact CD1-CG 3.99Å; Y331-L336 HydrophobicContact CE1-CD1 3.78Å; Y331-L336 HydrophobicContact CE1-CD2 4.06Å; Y331-L336 HydrophobicContact CE1-CG 3.7Å; Y331-L336 PolarHBondContact O-N 3.27Å
332F91.7Very high91.7Very high9 Ų967.1 Ų67.14%0.03933%0.329CS..Hα-helixtrans-56.5-47.7175.9-88.5-75.8000112.5I256 Y258 V328 R329 L336 D337 S338 E340I256-F332 HydrophobicContact CB-CE2 4.16Å; I256-F332 HydrophobicContact CB-CZ 4.47Å; I256-F332 HydrophobicContact CD1-CZ 4.01Å; Y258-F332 HydrophobicContact CD1-CE2 4.29Å; Y258-F332 HydrophobicContact CD1-CZ 4.03Å; Y258-F332 HydrophobicContact CE1-CE2 4.42Å; Y258-F332 AromaticContact CE1-CZ 3.75Å; Y258-F332 HydrophobicContact CE1-CZ 3.75Å; V328-F332 HydrophobicContact CG1-CD2 3.81Å; V328-F332 HydrophobicContact CG1-CE2 3.65Å; V328-F332 VanDerWaalsContact O-CD2 3.3Å; V328-F332 WeakPolarHBondContact O-CD2 3.08Å; V328-F332 PolarHBondContact O-N 3.39Å; R329-F332 PolarHBondContact O-N 3.34Å; F332-L336 HydrophobicContact CD1-CD1 3.67Å; F332-L336 HydrophobicContact CE1-CD1 3.66Å; F332-L336 HydrophobicContact CG-CD1 4.3Å; F332-L336 HydrophobicContact CZ-CD1 4.29Å; F332-L336 CarbonylContact O-C 3.59Å; F332-L336 PolarHBondContact O-N 3.25Å; F332-D337 PolarHBondContact O-N 3.48Å; F332-S338 CarbonylContact C-O 3.58Å; F332-S338 PolarHBondContact O-N 3.16Å; F332-E340 HydrophobicContact CB-CB 4.04Å; F332-E340 HydrophobicContact CD2-CB 4Å; F332-E340 HydrophobicContact CG-CB 3.93Å
333R91.7Very high91.6Very high135 Ų13570.6 Ų70.651%0.50934%0.344SS..Hα-helixtrans-70.2-44.7-176.4-68.8179.8-176.7-168-0.3113.3R329 S330 Y331R329-R333 WeakPolarHBondContact O-CG 3.13Å; R329-R333 PolarHBondContact O-N 3.25Å; R329-R333 VanDerWaalsContact O-N 3.15Å; S330-R333 PolarHBondContact O-N 2.56Å; Y331-R333 VanDerWaalsContact C-N 3.35Å; Y331-R333 PolarHBondContact O-N 3.38Å
334Y91Very high91.4Very high197 Ų19776.1 Ų76.177%0.77337%0.366SS*.Hα-helixtrans-98.3-30.1-169.4-62.4-61.9000114.3S330S330-Y334 WeakPolarHBondContact O-CB 3.41Å; S330-Y334 WeakPolarHBondContact O-CD2 3.49Å; S330-Y334 PolarHBondContact O-N 3.43Å
335K89.5Confident91.2Very high149 Ų14978.6 Ų78.665%0.64838%0.384SS*.THydrogen-bonded Turntrans-99.4-45.8-178.6-70-69.7-169.7175.70112.1Y331Y331-K335 HydrophobicContact CD1-CB 4.43Å; Y331-K335 HydrophobicContact CD2-CB 3.95Å; Y331-K335 HydrophobicContact CD2-CG 3.79Å; Y331-K335 HydrophobicContact CE1-CB 4.33Å; Y331-K335 HydrophobicContact CE2-CB 3.83Å; Y331-K335 HydrophobicContact CE2-CG 3.78Å; Y331-K335 HydrophobicContact CG-CB 4.25Å; Y331-K335 HydrophobicContact CG-CG 4.48Å; Y331-K335 WeakPolarHBondContact O-CA 3.46Å; Y331-K335 VanDerWaalsContact O-CB 3.32Å; Y331-K335 WeakPolarHBondContact O-CB 3.19Å; Y331-K335 PolarHBondContact O-N 3.08Å
336L87.3Confident91Very high1 Ų184.2 Ų84.21%0.00541%0.408CS..SBendtrans-88.5-15.1-178.1-61.8174.8000113.3P288 G290 L293 Y331 F332 S338P288-L336 HydrophobicContact CB-CD2 4Å; P288-L336 HydrophobicContact CG-CD2 3.88Å; G290-L336 CarbonylContact C-O 3.58Å; G290-L336 WeakPolarHBondContact CA-O 3.34Å; G290-L336 PolarHBondContact N-O 3.25Å; L293-L336 HydrophobicContact CD1-CD2 4.19Å; L293-L336 HydrophobicContact CD2-CD1 4.21Å; Y331-L336 HydrophobicContact CD1-CD1 3.88Å; Y331-L336 HydrophobicContact CD1-CG 3.99Å; Y331-L336 HydrophobicContact CE1-CD1 3.78Å; Y331-L336 HydrophobicContact CE1-CD2 4.06Å; Y331-L336 HydrophobicContact CE1-CG 3.7Å; Y331-L336 PolarHBondContact O-N 3.27Å; F332-L336 HydrophobicContact CD1-CD1 3.67Å; F332-L336 HydrophobicContact CE1-CD1 3.66Å; F332-L336 HydrophobicContact CG-CD1 4.3Å; F332-L336 HydrophobicContact CZ-CD1 4.29Å; F332-L336 CarbonylContact O-C 3.59Å; F332-L336 PolarHBondContact O-N 3.25Å; L336-S338 WeakPolarHBondContact CB-OG 3.39Å; L336-S338 PolarHBondContact O-N 3.14Å
337D88.1Confident90.9Very high137 Ų13786.1 Ų86.173%0.73342%0.415SS*.  trans47.943.1-175.4-164.329.1000112.4F332F332-D337 PolarHBondContact O-N 3.48Å
338S85.9Confident90.7Very high21 Ų2191.3 Ų91.315%0.14745%0.448CS..SBendtrans-135.6150.5-178.555.20000111.4F332 L336F332-S338 CarbonylContact C-O 3.58Å; F332-S338 PolarHBondContact O-N 3.16Å; L336-S338 WeakPolarHBondContact CB-OG 3.39Å; L336-S338 PolarHBondContact O-N 3.14Å
339P88.6Confident90.2Very high118 Ų11897.1 Ų97.177%0.76648%0.479SS*.PPolyproline II helixtrans-66.4135.8173.728.2-33.4000110
340E89.6Confident89.4Confident41 Ų4197.2 Ų97.219%0.19250%0.499CS..PPolyproline II helixtrans-68.8135.2177.372.1-171.1145.500110.7R329 F332 V342R329-E340 WeakPolarHBondContact CA-OE2 3.24Å; R329-E340 WeakPolarHBondContact CB-OE2 3.5Å; R329-E340 WeakPolarHBondContact CD-OE1 3.43Å; R329-E340 VanDerWaalsContact CG-OE1 3.25Å; R329-E340 WeakPolarHBondContact CG-OE1 3.38Å; R329-E340 VanDerWaalsContact CG-OE2 3.32Å; R329-E340 WeakPolarHBondContact CG-OE2 3.48Å; F332-E340 HydrophobicContact CB-CB 4.04Å; F332-E340 HydrophobicContact CD2-CB 4Å; F332-E340 HydrophobicContact CG-CB 3.93Å; E340-V342 HydrophobicContact CG-CG2 4.17Å
341P89.4Confident88.7Confident44 Ų44106.7 Ų106.729%0.28653%0.528SS..PPolyproline II helixtrans-76.3132.2171.931.7-34000110.3Y258 F343Y258-P341 HydrophobicContact CD1-CG 3.69Å; Y258-P341 HydrophobicContact CD2-CG 4.15Å; Y258-P341 HydrophobicContact CE1-CG 3.96Å; Y258-P341 HydrophobicContact CE2-CG 4.35Å; Y258-P341 HydrophobicContact CG-CG 3.81Å; P341-F343 HydrophobicContact CB-CE2 3.74Å; P341-F343 HydrophobicContact CB-CZ 4.17Å; P341-F343 HydrophobicContact CG-CE2 4.19Å
342V92.5Very high88Confident90 Ų90109.3 Ų109.355%0.54554%0.543SS..BIsolated β-bridgetrans-118.1127178.4-1780000109Q259 E340Q259-V342 HydrophobicContact CB-CG1 4.23Å; Q259-V342 HydrophobicContact CB-CG2 4.36Å; Q259-V342 HydrophobicContact CG-CG1 4.32Å; E340-V342 HydrophobicContact CG-CG2 4.17Å
343F93.2Very high87.5Confident73 Ų73111 Ų11132%0.3256%0.555SS.*  trans-112.2152.2-179.3-61.7-90.8000110.6I216 Y258 Q259 G260 T261 P341I216-F343 HydrophobicContact CB-CZ 4.31Å; I216-F343 HydrophobicContact CG2-CE1 3.94Å; I216-F343 HydrophobicContact CG2-CZ 4.11Å; Y258-F343 HydrophobicContact CD2-CD2 4.21Å; Y258-F343 AromaticContact CD2-CE2 3.37Å; Y258-F343 HydrophobicContact CD2-CE2 3.37Å; Y258-F343 HydrophobicContact CD2-CZ 4.04Å; Y258-F343 HydrophobicContact CE2-CE2 4.26Å; Y258-F343 HydrophobicContact CG-CD2 4.4Å; Y258-F343 AromaticContact CG-CE2 3.83Å; Y258-F343 HydrophobicContact CG-CE2 3.83Å; Q259-F343 WeakPolarHBondContact O-CB 3.34Å; Q259-F343 PolarHBondContact O-N 3.07Å; G260-F343 WeakPolarHBondContact CA-O 3.44Å; T261-F343 HydrophobicContact CG2-CB 3.94Å; T261-F343 HydrophobicContact CG2-CD2 3.39Å; T261-F343 HydrophobicContact CG2-CE2 4.03Å; T261-F343 HydrophobicContact CG2-CG 3.72Å; P341-F343 HydrophobicContact CB-CE2 3.74Å; P341-F343 HydrophobicContact CB-CZ 4.17Å; P341-F343 HydrophobicContact CG-CE2 4.19Å
344E91.8Very high87.3Confident166 Ų166110.1 Ų110.178%0.77657%0.567SS**  trans-134.3138.9173.2-172.7178.6-179.700109.1Q346E344-Q346 PolarHBondContact O-N 3.35Å; E344-Q346 VanDerWaalsContact O-N 3.08Å
345I90.8Very high87.2Confident119 Ų119106.1 Ų106.161%0.6156%0.555SS**  trans-74.6102.2176.4-58.6175.6000108.8F347I345-F347 HydrophobicContact CG2-CD1 4.48Å; I345-F347 HydrophobicContact CG2-CD2 4.44Å; I345-F347 HydrophobicContact CG2-CE1 4.1Å; I345-F347 HydrophobicContact CG2-CE2 4.05Å; I345-F347 HydrophobicContact CG2-CZ 3.88Å; I345-F347 PolarHBondContact O-N 2.63Å
346Q90.4Very high86.9Confident170 Ų170104.3 Ų104.379%0.79455%0.549SS*.  trans-84.9104.9171.7-65.6-173.74.800110E344E344-Q346 PolarHBondContact O-N 3.35Å; E344-Q346 VanDerWaalsContact O-N 3.08Å
347F90.3Very high86.9Confident168 Ų168112.9 Ų112.974%0.73759%0.586SS**PPolyproline II helixtrans-68.4138.9171.9-67-76.7000110.3I345 D349I345-F347 HydrophobicContact CG2-CD1 4.48Å; I345-F347 HydrophobicContact CG2-CD2 4.44Å; I345-F347 HydrophobicContact CG2-CE1 4.1Å; I345-F347 HydrophobicContact CG2-CE2 4.05Å; I345-F347 HydrophobicContact CG2-CZ 3.88Å; I345-F347 PolarHBondContact O-N 2.63Å; F347-D349 PolarHBondContact O-N 3.41Å
348P90.1Very high86.7Confident119 Ų119113.6 Ų113.677%0.77358%0.583SS**PPolyproline II helixtrans-62.2134.417726.4-33.7000109.9
349D82.5Confident86.2Confident124 Ų124114.9 Ų114.966%0.66359%0.591SS**PPolyproline II helixtrans-57.6143.5175.3-80.6-48000111.2F347 R351 R399F347-D349 PolarHBondContact O-N 3.41Å; D349-R351 PolarHBondContact O-N 3.03Å; D349-R399 IonicContact OD1-NH2 2.91Å
350A78.1Confident85.4Confident91 Ų91113.6 Ų113.675%0.75258%0.581SS**  trans-58.8115.8174.900000109.9L352A350-L352 PolarHBondContact O-N 2.81Å; A350-L352 VanDerWaalsContact O-N 3.08Å
351R78.2Confident84.2Confident243 Ų243114.4 Ų114.492%0.91759%0.594SS**  trans-66.2110.8177-70.4-174.4-178.1174.31.2110.1D349D349-R351 PolarHBondContact O-N 3.03Å
352L77.9Confident82.7Confident80 Ų80117.1 Ų117.142%0.41961%0.607SS.*PPolyproline II helixtrans-77.1142.1169.6-61.6171.4000109.4A350 R395 Y396A350-L352 PolarHBondContact O-N 2.81Å; A350-L352 VanDerWaalsContact O-N 3.08Å; L352-R395 HydrophobicContact CD1-CB 4.3Å; L352-R395 WeakPolarHBondContact CD1-O 3Å; L352-R395 HydrophobicContact CD2-CB 4.4Å; L352-Y396 HydrophobicContact CB-CE1 4.05Å; L352-Y396 HydrophobicContact CD1-CD1 4.35Å; L352-Y396 HydrophobicContact CD1-CE1 4.37Å
353P80.9Confident80.9Confident45 Ų45115.5 Ų115.529%0.29260%0.597SS.*PPolyproline II helixtrans-63.4160169.229.8-34.4000109.8Q355 H384 Y396P353-Q355 PolarHBondContact O-N 3.22Å; P353-H384 WeakPolarHBondContact CD-CD2 3.1Å; P353-H384 WeakPolarHBondContact CD-NE2 3.18Å; P353-H384 HydrophobicContact CG-CB 3.77Å; P353-H384 VanDerWaalsContact CG-CD2 3.41Å; P353-H384 WeakPolarHBondContact CG-CD2 3.45Å; P353-Y396 VanDerWaalsContact O-CE1 3.29Å; P353-Y396 WeakPolarHBondContact O-CE1 3.49Å; P353-Y396 PolarHBondContact O-OH 3.32Å
354P86.7Confident78.8Confident116 Ų116123.6 Ų123.675%0.75363%0.625SS**PPolyproline II helixtrans-57.2136.8174.525-34.3000110.5Q356P354-Q356 PolarHBondContact O-N 3.49Å; P354-Q356 VanDerWaalsContact O-N 3.16Å
355Q88.7Confident76.6Confident113 Ų113122.5 Ų122.553%0.52863%0.625SS.*PPolyproline II helixtrans-60.8119.5-179.8-168.5-177.524.400109.9P353 Y392 Y396P353-Q355 PolarHBondContact O-N 3.22Å; Q355-Y392 HydrophobicContact CG-CE1 4.25Å; Q355-Y396 HydrophobicContact CB-CD1 3.9Å; Q355-Y396 HydrophobicContact CB-CD2 4.43Å; Q355-Y396 HydrophobicContact CB-CE1 3.9Å; Q355-Y396 HydrophobicContact CB-CE2 4.45Å; Q355-Y396 HydrophobicContact CB-CG 4.17Å; Q355-Y396 HydrophobicContact CG-CD1 4.22Å; Q355-Y396 HydrophobicContact CG-CD2 3.9Å; Q355-Y396 HydrophobicContact CG-CE1 4.4Å; Q355-Y396 HydrophobicContact CG-CE2 4.1Å; Q355-Y396 HydrophobicContact CG-CG 3.96Å
356Q84.6Confident74.6Confident111 Ų111124.1 Ų124.152%0.51963%0.627SS.*PPolyproline II helixtrans-78.8139.1172.3-63.4-177.2-2.100110.2P354 F358 Y392P354-Q356 PolarHBondContact O-N 3.49Å; P354-Q356 VanDerWaalsContact O-N 3.16Å; Q356-F358 PolarHBondContact O-N 3.48Å; Q356-Y392 WeakPolarHBondContact CA-OH 3.12Å; Q356-Y392 PolarHBondContact N-OH 2.82Å; Q356-Y392 PolarHBondContact O-OH 3.03Å
357K86.8Confident72.4Confident182 Ų182121.1 Ų121.179%0.79162%0.623SS**SBendtrans-61.6-35.2172.1-173.1174.5-178.7175.30112.1
358F83.7Confident70.5Confident152 Ų152120.3 Ų120.367%0.66762%0.615SS**SBendtrans-133.292.5177.2-58.7-70.9000108.9Q356 V360Q356-F358 PolarHBondContact O-N 3.48Å; F358-V360 PolarHBondContact O-N 3.18Å
359P76.2Confident68.3Low48 Ų48123.5 Ų123.531%0.31261%0.612SS.*  trans-70.294.2175.529.6-34.3000109.1A361 Y392P359-A361 PolarHBondContact O-N 3.4Å; P359-Y392 HydrophobicContact CB-CD1 4.31Å; P359-Y392 HydrophobicContact CB-CD2 3.97Å; P359-Y392 HydrophobicContact CB-CE1 4.01Å; P359-Y392 HydrophobicContact CB-CE2 3.63Å; P359-Y392 HydrophobicContact CB-CG 4.28Å; P359-Y392 HydrophobicContact CG-CD1 3.81Å; P359-Y392 HydrophobicContact CG-CD2 4.32Å; P359-Y392 HydrophobicContact CG-CE1 3.65Å; P359-Y392 HydrophobicContact CG-CE2 4.18Å; P359-Y392 HydrophobicContact CG-CG 4.13Å
360V71.8Confident66.6Low90 Ų90120.9 Ų120.955%0.54560%0.595SS.*  trans-77.7123.9177.7-179.30000108.5F358 D362 S385F358-V360 PolarHBondContact O-N 3.18Å; V360-D362 PolarHBondContact O-N 3.29Å; V360-D362 VanDerWaalsContact O-N 3.08Å; V360-S385 WeakPolarHBondContact O-CB 3.39Å
361A64.1Low65.2Low58 Ų58122.9 Ų122.948%0.47960%0.601SS.*  trans-69.7100.2173.200000110P359 T363 S385 D386P359-A361 PolarHBondContact O-N 3.4Å; A361-T363 PolarHBondContact O-N 2.9Å; A361-S385 WeakPolarHBondContact CA-O 3.44Å; A361-D386 WeakPolarHBondContact CA-OD1 3.3Å; A361-D386 VanDerWaalsContact CB-OD1 3.24Å; A361-D386 WeakPolarHBondContact CB-OD1 3.32Å
362D58.1Low63.8Low102 Ų102118.6 Ų118.655%0.54559%0.591SS.*G310 helixtrans-73.8-4.7178.7-80-9.5000113.1V360 W364 D386V360-D362 PolarHBondContact O-N 3.29Å; V360-D362 VanDerWaalsContact O-N 3.08Å; D362-W364 VanDerWaalsContact C-N 3.35Å; D362-W364 PolarHBondContact O-N 3.45Å; D362-D386 PolarHBondContact N-OD1 3.34Å; D362-D386 VanDerWaalsContact N-OD1 3.14Å
363T53.4Low62.1Low56 Ų56116.7 Ų116.734%0.34459%0.591SS.*G310 helixtrans-74.1-8-172.545.30000117.2A361 N365 D386A361-T363 PolarHBondContact O-N 2.9Å; T363-N365 VanDerWaalsContact C-N 3.32Å; T363-N365 PolarHBondContact O-N 3.16Å; T363-D386 VanDerWaalsContact CB-OD1 3.23Å; T363-D386 WeakPolarHBondContact CB-OD1 3.45Å; T363-D386 HydrophobicContact CG2-CB 3.63Å; T363-D386 WeakPolarHBondContact CG2-OD1 3.37Å; T363-D386 WeakPolarHBondContact CG2-OD2 3.14Å; T363-D386 PolarHBondContact N-OD1 2.97Å; T363-D386 PolarHBondContact OG1-OD1 3.1Å
364W49.4Very low60.3Low242 Ų242119.3 Ų119.392%0.91760%0.601SS**G310 helixtrans-70.9-28.4178.7-160.7-90.6000113D362D362-W364 VanDerWaalsContact C-N 3.35Å; D362-W364 PolarHBondContact O-N 3.45Å
365N45.7Very low58.2Low143 Ų143118.8 Ų118.877%0.76560%0.598SS**SBendtrans-107.4-3.5-171.1-67.9-15.9000115T363T363-N365 VanDerWaalsContact C-N 3.32Å; T363-N365 PolarHBondContact O-N 3.16Å
366K49.1Very low56.2Low153 Ų153116.8 Ų116.867%0.66559%0.59SS**SBendtrans-124.2105.5179-72.1176.3-177.4168.20110R368K366-R368 PolarHBondContact O-N 2.97Å; K366-R368 VanDerWaalsContact O-N 3.1Å
367P45Very low54.4Low108 Ų108118.4 Ų118.470%0.70160%0.601SS**  trans-60.4120.1175.523.9-31.3000109.1R369P367-R369 PolarHBondContact O-N 2.91Å
368R50.5Low52.5Low150 Ų150120.7 Ų120.757%0.56661%0.605SS**  trans-55.1103-178.5-72.1-177.8-82.4-154.9-9.7110.6K366K366-R368 PolarHBondContact O-N 2.97Å; K366-R368 VanDerWaalsContact O-N 3.1Å
369R43.8Very low50.5Low186 Ų186120.2 Ų120.270%0.70261%0.605SS**  trans-121.4129.5163.2-63.6-172.7-162.9-110.14107.3P367P367-R369 PolarHBondContact O-N 2.91Å
370H45.3Very low49Very low69 Ų69128.1 Ų128.132%0.31963%0.628SS.*  trans-47.8152.9156.7-169.7-101.1000108.5Q372 G373 I374H370-Q372 PolarHBondContact CE1-OE1 3.04Å; H370-Q372 VanDerWaalsContact CE1-OE1 3.28Å; H370-Q372 WeakPolarHBondContact ND1-CB 3.17Å; H370-Q372 PolarHBondContact ND1-N 3.16Å; H370-Q372 PolarHBondContact ND1-OE1 3.45Å; H370-Q372 PolarHBondContact O-N 3.41Å; H370-G373 PolarHBondContact O-N 3.19Å; H370-I374 HydrophobicContact CB-CB 4.14Å; H370-I374 WeakPolarHBondContact CB-O 3.47Å; H370-I374 PolarHBondContact N-O 3.41Å; H370-I374 VanDerWaalsContact N-O 3.13Å
371P49.1Very low47.6Very low134 Ų134134 Ų13487%0.8764%0.642SS**THydrogen-bonded Turntrans-49.8-19.5171.5-27.834.5000114
372Q49.3Very low46.8Very low153 Ų153133.7 Ų133.772%0.71565%0.645SS**THydrogen-bonded Turntrans-105.716.5175.7-55.3165.7-19.800114.5H370 I374H370-Q372 PolarHBondContact CE1-OE1 3.04Å; H370-Q372 VanDerWaalsContact CE1-OE1 3.28Å; H370-Q372 WeakPolarHBondContact ND1-CB 3.17Å; H370-Q372 PolarHBondContact ND1-N 3.16Å; H370-Q372 PolarHBondContact ND1-OE1 3.45Å; H370-Q372 PolarHBondContact O-N 3.41Å; Q372-I374 PolarHBondContact O-N 2.87Å
373G41.1Very low46.4Very low40 Ų40132.6 Ų132.641%0.41264%0.642SS.*SBendtrans82.52.1170.700000117.7H370H370-G373 PolarHBondContact O-N 3.19Å
374I43.2Very low46.4Very low99 Ų99132.7 Ų132.751%0.50864%0.638SS.*PPolyproline II helixtrans-78.9133.8-179.6-52.2172.7000110.3H370 Q372 L376H370-I374 HydrophobicContact CB-CB 4.14Å; H370-I374 WeakPolarHBondContact CB-O 3.47Å; H370-I374 PolarHBondContact N-O 3.41Å; H370-I374 VanDerWaalsContact N-O 3.13Å; Q372-I374 PolarHBondContact O-N 2.87Å; I374-L376 PolarHBondContact O-N 2.91Å
375P43.8Very low46.6Very low106 Ų106122.4 Ų122.469%0.68860%0.603SS**PPolyproline II helixtrans-66122.4172.625.8-31.7000110I377P375-I377 PolarHBondContact O-N 2.69Å
376L47.1Very low47.3Very low70 Ų70117.6 Ų117.637%0.36658%0.577SS.*PPolyproline II helixtrans-69.1119.5178.7-67.9168.8000109.7I374I374-L376 PolarHBondContact O-N 2.91Å
377I47Very low48.1Very low145 Ų145112.6 Ų112.674%0.74456%0.56SS**PPolyproline II helixtrans-49.3139.3165.2-96.4160.1000109.1P375 E379P375-I377 PolarHBondContact O-N 2.69Å; I377-E379 PolarHBondContact O-N 2.96Å
378R46.1Very low49.5Very low231 Ų231109.3 Ų109.387%0.87254%0.539SS*.THydrogen-bonded Turntrans-54.5-0-165.4-91.4179.5174.2178.8-2.1117.5
379E42.4Very low50.9Low141 Ų141107.1 Ų107.166%0.65953%0.534SS*.THydrogen-bonded Turntrans-139.317.5-167.7-62.9-173.3161.300115.6I377 Y381I377-E379 PolarHBondContact O-N 2.96Å; E379-Y381 PolarHBondContact O-N 3.06Å; E379-Y381 VanDerWaalsContact O-N 3.14Å
380R42.9Very low52.7Low214 Ų21498.7 Ų98.781%0.80850%0.503SS*.  trans-76.3109173.1-96.3-170.6-165.9-141.33.2112.5G382R380-G382 PolarHBondContact O-N 3.22Å
381Y43.6Very low54.3Low213 Ų21397.5 Ų97.584%0.83550%0.5SS*.THydrogen-bonded Turntrans-33.9115.1154.4-60.2-89.6000110.7E379E379-Y381 PolarHBondContact O-N 3.06Å; E379-Y381 VanDerWaalsContact O-N 3.14Å
382G46.7Very low55.9Low53 Ų5391.5 Ų91.555%0.54646%0.461SS..THydrogen-bonded Turntrans164.5-24.517700000114.9R380R380-G382 PolarHBondContact O-N 3.22Å
383V50.2Low57.7Low78 Ų7887.4 Ų87.447%0.47344%0.443SS..  trans-112.2106174.2-165.70000108.8S385 D386V383-S385 VanDerWaalsContact C-N 3.3Å; V383-S385 VanDerWaalsContact CG1-OG 3.3Å; V383-S385 WeakPolarHBondContact CG1-OG 3.37Å; V383-D386 HydrophobicContact CG1-CB 4.24Å; V383-D386 WeakPolarHBondContact CG1-OD2 3.32Å
384H52.5Low59.8Low58 Ų5886.7 Ų86.727%0.26943%0.43SS..SBendtrans-73.6-23.5-172.6-65.684.5000112.9P353 Y392P353-H384 WeakPolarHBondContact CD-CD2 3.1Å; P353-H384 WeakPolarHBondContact CD-NE2 3.18Å; P353-H384 HydrophobicContact CG-CB 3.77Å; P353-H384 VanDerWaalsContact CG-CD2 3.41Å; P353-H384 WeakPolarHBondContact CG-CD2 3.45Å; H384-Y392 WeakPolarHBondContact O-CD2 3.46Å
385S55.3Low61.7Low26 Ų2684.8 Ų84.818%0.18242%0.416CS..SBendtrans-79.5-23.9-179.140.70000114.6V360 A361 V383V360-S385 WeakPolarHBondContact O-CB 3.39Å; A361-S385 WeakPolarHBondContact CA-O 3.44Å; V383-S385 VanDerWaalsContact C-N 3.3Å; V383-S385 VanDerWaalsContact CG1-OG 3.3Å; V383-S385 WeakPolarHBondContact CG1-OG 3.37Å
386D60.4Low63.8Low42 Ų4282.2 Ų82.223%0.22539%0.393CS..SBendtrans-113.344.2-164.7-60.8-68.4000112.7A361 D362 T363 V383A361-D386 WeakPolarHBondContact CA-OD1 3.3Å; A361-D386 VanDerWaalsContact CB-OD1 3.24Å; A361-D386 WeakPolarHBondContact CB-OD1 3.32Å; D362-D386 PolarHBondContact N-OD1 3.34Å; D362-D386 VanDerWaalsContact N-OD1 3.14Å; T363-D386 VanDerWaalsContact CB-OD1 3.23Å; T363-D386 WeakPolarHBondContact CB-OD1 3.45Å; T363-D386 HydrophobicContact CG2-CB 3.63Å; T363-D386 WeakPolarHBondContact CG2-OD1 3.37Å; T363-D386 WeakPolarHBondContact CG2-OD2 3.14Å; T363-D386 PolarHBondContact N-OD1 2.97Å; T363-D386 PolarHBondContact OG1-OD1 3.1Å; V383-D386 HydrophobicContact CG1-CB 4.24Å; V383-D386 WeakPolarHBondContact CG1-OD2 3.32Å
387V65.9Low65.8Low48 Ų4882.8 Ų82.829%0.29139%0.39SS..SBendtrans-118.5154.9171.2-111.10000108.9V391V387-V391 HydrophobicContact CB-CB 4.17Å; V387-V391 HydrophobicContact CB-CG1 4.11Å; V387-V391 HydrophobicContact CG1-CB 4.05Å; V387-V391 HydrophobicContact CG1-CG1 3.6Å
388S73.9Confident67.9Low40 Ų4081.1 Ų81.128%0.2838%0.383SS..  trans-59.2149.1171.651.30000109.8D390 V391 Y392S388-D390 WeakPolarHBondContact CB-OD1 3.41Å; S388-D390 PolarHBondContact O-N 3.48Å; S388-D390 VanDerWaalsContact O-N 3.15Å; S388-D390 PolarHBondContact OG-OD1 3.45Å; S388-V391 PolarHBondContact O-N 3.41Å; S388-V391 WeakPolarHBondContact OG-CG2 3.38Å; S388-Y392 PolarHBondContact O-N 3.39Å
389F80.4Confident69.8Low104 Ų10478.1 Ų78.146%0.45637%0.372SS..Hα-helixtrans-58.9-32.3-170.575.5-89.5000112.6Y392 L393 W443F389-Y392 PolarHBondContact O-N 3.15Å; F389-L393 HydrophobicContact CD2-CD1 4.07Å; F389-L393 WeakPolarHBondContact O-CB 3.33Å; F389-L393 WeakPolarHBondContact O-CG 3.13Å; F389-L393 PolarHBondContact O-N 3.39Å; F389-W443 HydrophobicContact CE1-CB 4.5Å; F389-W443 AromaticContact CE1-CD1 3.62Å; F389-W443 AromaticContact CE1-CD2 3.62Å; F389-W443 HydrophobicContact CE1-CD2 3.62Å; F389-W443 AromaticContact CE1-CE2 3.57Å; F389-W443 HydrophobicContact CE1-CE3 4.28Å; F389-W443 AromaticContact CE1-CG 3.68Å; F389-W443 HydrophobicContact CE1-CG 3.68Å; F389-W443 HydrophobicContact CE1-CZ2 4.16Å; F389-W443 AromaticContact CE1-NE1 3.55Å; F389-W443 HydrophobicContact CE2-CH2 4.43Å; F389-W443 HydrophobicContact CE2-CZ2 4.48Å; F389-W443 AromaticContact CZ-CD2 3.7Å; F389-W443 HydrophobicContact CZ-CD2 3.7Å; F389-W443 AromaticContact CZ-CE2 3.39Å; F389-W443 HydrophobicContact CZ-CE3 4.08Å; F389-W443 HydrophobicContact CZ-CG 4.27Å; F389-W443 AromaticContact CZ-CH2 3.79Å; F389-W443 HydrophobicContact CZ-CH2 3.79Å; F389-W443 AromaticContact CZ-CZ2 3.49Å; F389-W443 HydrophobicContact CZ-CZ2 3.49Å; F389-W443 VanDerWaalsContact CZ-CZ2 3.49Å; F389-W443 HydrophobicContact CZ-CZ3 4.09Å; F389-W443 AromaticContact CZ-NE1 3.78Å
390D80.2Confident72.1Confident8 Ų879 Ų794%0.04337%0.374CS..Hα-helixtrans-62.4-50.4175.361.6-37.8000111.2S388 Y392 L393 D394 W443 Q447S388-D390 WeakPolarHBondContact CB-OD1 3.41Å; S388-D390 PolarHBondContact O-N 3.48Å; S388-D390 VanDerWaalsContact O-N 3.15Å; S388-D390 PolarHBondContact OG-OD1 3.45Å; D390-Y392 VanDerWaalsContact C-N 3.28Å; D390-Y392 PolarHBondContact O-N 3.29Å; D390-L393 PolarHBondContact O-N 3.38Å; D390-D394 WeakPolarHBondContact O-CB 3.37Å; D390-D394 PolarHBondContact O-N 3.02Å; D390-W443 HydrophobicContact CB-CE3 3.77Å; D390-W443 HydrophobicContact CB-CZ3 3.81Å; D390-Q447 VanDerWaalsContact OD2-CG 3.28Å; D390-Q447 WeakPolarHBondContact OD2-CG 3.21Å; D390-Q447 PolarHBondContact OD2-NE2 3.14Å
391V79.7Confident74.5Confident44 Ų4473.8 Ų73.827%0.26736%0.358SS..Hα-helixtrans-66-33.8177.4178.90000111.2V387 S388 R395V387-V391 HydrophobicContact CB-CB 4.17Å; V387-V391 HydrophobicContact CB-CG1 4.11Å; V387-V391 HydrophobicContact CG1-CB 4.05Å; V387-V391 HydrophobicContact CG1-CG1 3.6Å; S388-V391 PolarHBondContact O-N 3.41Å; S388-V391 WeakPolarHBondContact OG-CG2 3.38Å; V391-R395 WeakPolarHBondContact O-CG 3.46Å
392Y83.1Confident76.6Confident9 Ų965 Ų654%0.03533%0.326CS..Hα-helixtrans-65.2-51173.9174.4-93.7000111.2Q355 Q356 P359 H384 S388 F389 D390 R395 Y396Q355-Y392 HydrophobicContact CG-CE1 4.25Å; Q356-Y392 WeakPolarHBondContact CA-OH 3.12Å; Q356-Y392 PolarHBondContact N-OH 2.82Å; Q356-Y392 PolarHBondContact O-OH 3.03Å; P359-Y392 HydrophobicContact CB-CD1 4.31Å; P359-Y392 HydrophobicContact CB-CD2 3.97Å; P359-Y392 HydrophobicContact CB-CE1 4.01Å; P359-Y392 HydrophobicContact CB-CE2 3.63Å; P359-Y392 HydrophobicContact CB-CG 4.28Å; P359-Y392 HydrophobicContact CG-CD1 3.81Å; P359-Y392 HydrophobicContact CG-CD2 4.32Å; P359-Y392 HydrophobicContact CG-CE1 3.65Å; P359-Y392 HydrophobicContact CG-CE2 4.18Å; P359-Y392 HydrophobicContact CG-CG 4.13Å; H384-Y392 WeakPolarHBondContact O-CD2 3.46Å; S388-Y392 PolarHBondContact O-N 3.39Å; F389-Y392 PolarHBondContact O-N 3.15Å; D390-Y392 VanDerWaalsContact C-N 3.28Å; D390-Y392 PolarHBondContact O-N 3.29Å; Y392-R395 WeakPolarHBondContact O-CB 3.25Å; Y392-R395 PolarHBondContact O-N 2.85Å; Y392-Y396 HydrophobicContact CD1-CE2 4.34Å; Y392-Y396 AromaticContact CD2-CE2 4Å; Y392-Y396 HydrophobicContact CD2-CE2 4Å; Y392-Y396 HydrophobicContact CE1-CD2 4.24Å; Y392-Y396 AromaticContact CE1-CE2 3.95Å; Y392-Y396 HydrophobicContact CE1-CE2 3.95Å; Y392-Y396 AromaticContact CE2-CE2 3.56Å; Y392-Y396 HydrophobicContact CE2-CE2 3.56Å; Y392-Y396 HydrophobicContact CG-CE2 4.38Å; Y392-Y396 AromaticContact CZ-CE2 3.54Å; Y392-Y396 WeakPolarHBondContact O-CD2 3.28Å
393L86.2Confident78.6Confident67 Ų6768 Ų6835%0.35132%0.322SS..Hα-helixtrans-66.1-40.2-178.7-69.4175.7000111.8F389 D390 R395 Y396 R397F389-L393 HydrophobicContact CD2-CD1 4.07Å; F389-L393 WeakPolarHBondContact O-CB 3.33Å; F389-L393 WeakPolarHBondContact O-CG 3.13Å; F389-L393 PolarHBondContact O-N 3.39Å; D390-L393 PolarHBondContact O-N 3.38Å; L393-R395 PolarHBondContact O-N 2.92Å; L393-R395 VanDerWaalsContact O-N 3.14Å; L393-Y396 PolarHBondContact O-N 2.85Å; L393-R397 PolarHBondContact O-N 2.79Å; L393-R397 VanDerWaalsContact O-N 3.1Å
394D85.4Confident80.7Confident25 Ų2569.8 Ų69.813%0.13432%0.324CS..Hα-helixtrans-56.7-28.6176.9-77.110.1000112.7D390 Y396 R397 R457D390-D394 WeakPolarHBondContact O-CB 3.37Å; D390-D394 PolarHBondContact O-N 3.02Å; D394-Y396 VanDerWaalsContact C-N 3.3Å; D394-Y396 PolarHBondContact O-N 3.15Å; D394-R397 PolarHBondContact O-N 2.55Å; D394-R397 IonicContact OD1-CZ 2.57Å; D394-R397 IonicContact OD1-NE 3.73Å; D394-R397 PolarHBondContact OD1-NE 3.1Å; D394-R397 VanDerWaalsContact OD1-NE 3.1Å; D394-R397 IonicContact OD1-NH1 2.63Å; D394-R397 IonicContact OD1-NH2 3.83Å; D394-R397 PolarHBondContact OD1-NH2 3.19Å; D394-R457 IonicContact OD1-NH1 3.17Å; D394-R457 IonicContact OD2-CZ 3.29Å; D394-R457 IonicContact OD2-NH1 2.67Å; D394-R457 PolarHBondContact OD2-NH1 3.06Å
395R82.9Confident82.5Confident59 Ų5970.9 Ų70.922%0.22333%0.33CS..Hα-helixtrans-68.5-30177.4-70.8172.1-171-166.95.1113.3L352 V391 Y392 L393L352-R395 HydrophobicContact CD1-CB 4.3Å; L352-R395 WeakPolarHBondContact CD1-O 3Å; L352-R395 HydrophobicContact CD2-CB 4.4Å; V391-R395 WeakPolarHBondContact O-CG 3.46Å; Y392-R395 WeakPolarHBondContact O-CB 3.25Å; Y392-R395 PolarHBondContact O-N 2.85Å; L393-R395 PolarHBondContact O-N 2.92Å; L393-R395 VanDerWaalsContact O-N 3.14Å
396Y88.4Confident84.1Confident52 Ų5270.2 Ų70.220%0.20432%0.324CS..Hα-helixtrans-101.2-2.7-178.4-57.9-79.5000112.3L352 P353 Q355 Y392 L393 D394L352-Y396 HydrophobicContact CB-CE1 4.05Å; L352-Y396 HydrophobicContact CD1-CD1 4.35Å; L352-Y396 HydrophobicContact CD1-CE1 4.37Å; P353-Y396 VanDerWaalsContact O-CE1 3.29Å; P353-Y396 WeakPolarHBondContact O-CE1 3.49Å; P353-Y396 PolarHBondContact O-OH 3.32Å; Q355-Y396 HydrophobicContact CB-CD1 3.9Å; Q355-Y396 HydrophobicContact CB-CD2 4.43Å; Q355-Y396 HydrophobicContact CB-CE1 3.9Å; Q355-Y396 HydrophobicContact CB-CE2 4.45Å; Q355-Y396 HydrophobicContact CB-CG 4.17Å; Q355-Y396 HydrophobicContact CG-CD1 4.22Å; Q355-Y396 HydrophobicContact CG-CD2 3.9Å; Q355-Y396 HydrophobicContact CG-CE1 4.4Å; Q355-Y396 HydrophobicContact CG-CE2 4.1Å; Q355-Y396 HydrophobicContact CG-CG 3.96Å; Y392-Y396 HydrophobicContact CD1-CE2 4.34Å; Y392-Y396 AromaticContact CD2-CE2 4Å; Y392-Y396 HydrophobicContact CD2-CE2 4Å; Y392-Y396 HydrophobicContact CE1-CD2 4.24Å; Y392-Y396 AromaticContact CE1-CE2 3.95Å; Y392-Y396 HydrophobicContact CE1-CE2 3.95Å; Y392-Y396 AromaticContact CE2-CE2 3.56Å; Y392-Y396 HydrophobicContact CE2-CE2 3.56Å; Y392-Y396 HydrophobicContact CG-CE2 4.38Å; Y392-Y396 AromaticContact CZ-CE2 3.54Å; Y392-Y396 WeakPolarHBondContact O-CD2 3.28Å; L393-Y396 PolarHBondContact O-N 2.85Å; D394-Y396 VanDerWaalsContact C-N 3.3Å; D394-Y396 PolarHBondContact O-N 3.15Å
397R89Confident85.5Confident81 Ų8172.4 Ų72.431%0.30634%0.335SS..SBendtrans-76.8149.8173.1-80.9-170.2-112.9-171.6-3.9110.4L393 D394 R399 L402 E405L393-R397 PolarHBondContact O-N 2.79Å; L393-R397 VanDerWaalsContact O-N 3.1Å; D394-R397 PolarHBondContact O-N 2.55Å; D394-R397 IonicContact OD1-CZ 2.57Å; D394-R397 IonicContact OD1-NE 3.73Å; D394-R397 PolarHBondContact OD1-NE 3.1Å; D394-R397 VanDerWaalsContact OD1-NE 3.1Å; D394-R397 IonicContact OD1-NH1 2.63Å; D394-R397 IonicContact OD1-NH2 3.83Å; D394-R397 PolarHBondContact OD1-NH2 3.19Å; R397-R399 PolarHBondContact O-N 3.15Å; R397-L402 HydrophobicContact CB-CD1 4.25Å; R397-L402 HydrophobicContact CB-CD2 4.45Å; R397-L402 HydrophobicContact CB-CG 4.2Å; R397-E405 IonicContact NH1-OE1 3.94Å
398D90.1Very high86.6Confident111 Ų11176.4 Ų76.459%0.59435%0.35SS*.  trans-64132.4172.1-82.3-11.6000109.5K400 E401 L402D398-K400 PolarHBondContact O-N 3.33Å; D398-E401 HydrophobicContact CB-CG 4.21Å; D398-E401 PolarHBondContact O-N 3.18Å; D398-L402 PolarHBondContact O-N 2.62Å
399R87.1Confident87.3Confident167 Ų16777.6 Ų77.663%0.6335%0.351SS*.Hα-helixtrans-58.2-33.8179.8-64.2-171.8-172.9171.59.3111.4D349 R397 L402 Y403D349-R399 IonicContact OD1-NH2 2.91Å; R397-R399 PolarHBondContact O-N 3.15Å; R399-L402 PolarHBondContact O-N 3.14Å; R399-Y403 HydrophobicContact CB-CD2 4.2Å; R399-Y403 HydrophobicContact CB-CE2 3.89Å; R399-Y403 WeakPolarHBondContact O-CD2 2.93Å; R399-Y403 PolarHBondContact O-N 2.78Å
400K91.1Very high87.6Confident161 Ų16175.8 Ų75.870%0.734%0.341SS*.Hα-helixtrans-58.5-48.7178.3-68-173.9179.5-177.60112.1D398 L402 Y403 E404D398-K400 PolarHBondContact O-N 3.33Å; K400-L402 VanDerWaalsContact C-N 3.32Å; K400-L402 PolarHBondContact O-N 3.3Å; K400-Y403 PolarHBondContact O-N 2.94Å; K400-Y403 VanDerWaalsContact O-N 3.16Å; K400-E404 WeakPolarHBondContact O-CG 3.23Å; K400-E404 PolarHBondContact O-N 3.31Å
401E91.6Very high87.8Confident103 Ų10380.3 Ų80.348%0.48137%0.365SS..Hα-helixtrans-61.2-43.1178.4-62.8-177161.300111.1D398 Y403 E404 E405D398-E401 HydrophobicContact CB-CG 4.21Å; D398-E401 PolarHBondContact O-N 3.18Å; E401-Y403 VanDerWaalsContact C-N 3.32Å; E401-Y403 PolarHBondContact O-N 2.93Å; E401-E404 PolarHBondContact O-N 2.99Å; E401-E405 PolarHBondContact O-N 2.8Å
402L87.8Confident88Confident29 Ų2981.6 Ų81.615%0.15238%0.38CS..Hα-helixtrans-62.3-39.1176.5-67.8173.1000112.1R397 D398 R399 K400 I406R397-L402 HydrophobicContact CB-CD1 4.25Å; R397-L402 HydrophobicContact CB-CD2 4.45Å; R397-L402 HydrophobicContact CB-CG 4.2Å; D398-L402 PolarHBondContact O-N 2.62Å; R399-L402 PolarHBondContact O-N 3.14Å; K400-L402 VanDerWaalsContact C-N 3.32Å; K400-L402 PolarHBondContact O-N 3.3Å; L402-I406 WeakPolarHBondContact O-CD1 3.41Å; L402-I406 VanDerWaalsContact O-CG1 3.28Å; L402-I406 WeakPolarHBondContact O-CG1 3.49Å; L402-I406 PolarHBondContact O-N 3.48Å
403Y89.9Confident87.9Confident117 Ų11782.4 Ų82.446%0.45939%0.385SS..Hα-helixtrans-68.2-40.5176-73.6-58.2000112.1R399 K400 E401 I406 I407R399-Y403 HydrophobicContact CB-CD2 4.2Å; R399-Y403 HydrophobicContact CB-CE2 3.89Å; R399-Y403 WeakPolarHBondContact O-CD2 2.93Å; R399-Y403 PolarHBondContact O-N 2.78Å; K400-Y403 PolarHBondContact O-N 2.94Å; K400-Y403 VanDerWaalsContact O-N 3.16Å; E401-Y403 VanDerWaalsContact C-N 3.32Å; E401-Y403 PolarHBondContact O-N 2.93Å; Y403-I406 PolarHBondContact O-N 2.82Å; Y403-I407 VanDerWaalsContact O-CG1 3.27Å; Y403-I407 WeakPolarHBondContact O-CG1 3.4Å; Y403-I407 PolarHBondContact O-N 3.19Å
404E93Very high87.6Confident114 Ų11481.8 Ų81.853%0.53338%0.38SS..Hα-helixtrans-60-45.4175.6-74.4174.8-173.900111.7K400 E401 I406 I407 H408K400-E404 WeakPolarHBondContact O-CG 3.23Å; K400-E404 PolarHBondContact O-N 3.31Å; E401-E404 PolarHBondContact O-N 2.99Å; E404-I406 VanDerWaalsContact C-N 3.3Å; E404-I406 PolarHBondContact O-N 2.96Å; E404-I407 PolarHBondContact O-N 3.12Å; E404-H408 PolarHBondContact O-CD2 2.95Å; E404-H408 PolarHBondContact O-N 3.43Å
405E90.6Very high87.2Confident82 Ų8281.7 Ų81.738%0.38339%0.385SS..Hα-helixtrans-55.8-45.1174.2-73.2-178.4-174.100111.6R397 E401 H408 E409R397-E405 IonicContact NH1-OE1 3.94Å; E401-E405 PolarHBondContact O-N 2.8Å; E405-H408 PolarHBondContact O-N 3.14Å; E405-E409 WeakPolarHBondContact O-CB 3.34Å; E405-E409 WeakPolarHBondContact O-CG 3.27Å; E405-E409 PolarHBondContact O-N 3.25Å
406I89Confident87.1Confident12 Ų1281.7 Ų81.76%0.06239%0.39CS..Hα-helixtrans-66.6-40.8179.8-66.8163.6000111L402 Y403 E404 E409 R410 R457 E460L402-I406 WeakPolarHBondContact O-CD1 3.41Å; L402-I406 VanDerWaalsContact O-CG1 3.28Å; L402-I406 WeakPolarHBondContact O-CG1 3.49Å; L402-I406 PolarHBondContact O-N 3.48Å; Y403-I406 PolarHBondContact O-N 2.82Å; E404-I406 VanDerWaalsContact C-N 3.3Å; E404-I406 PolarHBondContact O-N 2.96Å; I406-E409 PolarHBondContact O-N 3.17Å; I406-R410 VanDerWaalsContact O-CB 3.29Å; I406-R410 WeakPolarHBondContact O-CB 3.28Å; I406-R410 PolarHBondContact O-N 3.42Å; I406-R457 HydrophobicContact CD1-CB 3.98Å; I406-R457 HydrophobicContact CD1-CG 4.4Å; I406-E460 HydrophobicContact CG2-CB 4.33Å
407I89.4Confident86.4Confident87 Ų8783.3 Ų83.345%0.44641%0.407SS..Hα-helixtrans-65.8-45178.1-70165.9000110.4Y403 E404 E409 R410 L411Y403-I407 VanDerWaalsContact O-CG1 3.27Å; Y403-I407 WeakPolarHBondContact O-CG1 3.4Å; Y403-I407 PolarHBondContact O-N 3.19Å; E404-I407 PolarHBondContact O-N 3.12Å; I407-E409 VanDerWaalsContact C-N 3.33Å; I407-E409 PolarHBondContact O-N 3.18Å; I407-R410 WeakPolarHBondContact O-CB 3.39Å; I407-R410 PolarHBondContact O-N 2.94Å; I407-L411 HydrophobicContact CG2-CD1 4.01Å; I407-L411 HydrophobicContact CG2-CG 4.36Å; I407-L411 WeakPolarHBondContact O-CG 3.46Å; I407-L411 PolarHBondContact O-N 2.96Å
408H90.4Very high86Confident132 Ų13286.3 Ų86.361%0.61143%0.428SS*.Hα-helixtrans-59-45.2175.9-80.5-61.7000111.8E404 E405 L411 A412E404-H408 PolarHBondContact O-CD2 2.95Å; E404-H408 PolarHBondContact O-N 3.43Å; E405-H408 PolarHBondContact O-N 3.14Å; H408-L411 PolarHBondContact O-N 3Å; H408-A412 WeakPolarHBondContact O-CB 3.35Å; H408-A412 PolarHBondContact O-N 3.41Å
409E88.4Confident85.5Confident66 Ų6684.9 Ų84.931%0.30842%0.42SS..Hα-helixtrans-66-36.2176.4-75.1-81.7-153.700112.4E405 I406 I407 N413 R451 L461E405-E409 WeakPolarHBondContact O-CB 3.34Å; E405-E409 WeakPolarHBondContact O-CG 3.27Å; E405-E409 PolarHBondContact O-N 3.25Å; I406-E409 PolarHBondContact O-N 3.17Å; I407-E409 VanDerWaalsContact C-N 3.33Å; I407-E409 PolarHBondContact O-N 3.18Å; E409-N413 VanDerWaalsContact O-CB 3.26Å; E409-N413 WeakPolarHBondContact O-CB 3.45Å; E409-N413 PolarHBondContact O-N 3.35Å; E409-R451 VanDerWaalsContact CD-NH1 3.29Å; E409-R451 IonicContact OE1-CZ 3.97Å; E409-R451 IonicContact OE1-NH1 2.64Å; E409-R451 PolarHBondContact OE1-NH1 3.49Å; E409-R451 IonicContact OE1-NH2 3.28Å; E409-R451 IonicContact OE2-CZ 3.76Å; E409-R451 VanDerWaalsContact OE2-CZ 3.29Å; E409-R451 IonicContact OE2-NH1 2.9Å; E409-R451 PolarHBondContact OE2-NH1 3.47Å; E409-R451 IonicContact OE2-NH2 3.87Å; E409-R451 PolarHBondContact OE2-NH2 3.01Å; E409-L461 HydrophobicContact CB-CD1 4.12Å
410R86Confident84.9Confident66 Ų6683 Ų8325%0.24943%0.429CS..Hα-helixtrans-62.9-50.4174.2-175.8-174.5-147.5165.812.7111I406 I407 A412 N413 E414 E460 L461 N462 G463I406-R410 VanDerWaalsContact O-CB 3.29Å; I406-R410 WeakPolarHBondContact O-CB 3.28Å; I406-R410 PolarHBondContact O-N 3.42Å; I407-R410 WeakPolarHBondContact O-CB 3.39Å; I407-R410 PolarHBondContact O-N 2.94Å; R410-A412 VanDerWaalsContact C-N 3.35Å; R410-A412 PolarHBondContact O-N 3.49Å; R410-N413 WeakPolarHBondContact O-CB 3.28Å; R410-N413 PolarHBondContact O-N 3.39Å; R410-N413 VanDerWaalsContact O-N 3.1Å; R410-E414 IonicContact NE-OE1 3.06Å; R410-E414 WeakPolarHBondContact O-CG 3.32Å; R410-E414 PolarHBondContact O-N 3.27Å; R410-E460 PolarHBondContact NE-O 3.1Å; R410-E460 PolarHBondContact NH2-O 2.91Å; R410-L461 WeakPolarHBondContact CG-O 3.34Å; R410-N462 PolarHBondContact NE-O 3.1Å; R410-N462 PolarHBondContact NH2-O 2.75Å; R410-G463 VanDerWaalsContact NE-N 3.17Å
411L84.4Confident84.1Confident103 Ų10384 Ų8454%0.53944%0.437SS..Hα-helixtrans-61.9-42.8179-69.5173.8000111.5I407 H408 N413 E414 G415I407-L411 HydrophobicContact CG2-CD1 4.01Å; I407-L411 HydrophobicContact CG2-CG 4.36Å; I407-L411 WeakPolarHBondContact O-CG 3.46Å; I407-L411 PolarHBondContact O-N 2.96Å; H408-L411 PolarHBondContact O-N 3Å; L411-N413 VanDerWaalsContact C-N 3.26Å; L411-N413 PolarHBondContact O-N 3.43Å; L411-E414 PolarHBondContact O-N 3.29Å; L411-G415 PolarHBondContact O-N 3.15Å
412A84.4Confident83.1Confident71 Ų7183.5 Ų83.559%0.58743%0.434SS*.Hα-helixtrans-62.6-34.3174.800000112.5H408 R410H408-A412 WeakPolarHBondContact O-CB 3.35Å; H408-A412 PolarHBondContact O-N 3.41Å; R410-A412 VanDerWaalsContact C-N 3.35Å; R410-A412 PolarHBondContact O-N 3.49Å
413N81.8Confident82Confident25 Ų2586.1 Ų86.113%0.13445%0.453CS..Hα-helixtrans-75.8-31.3177.8-98.122.5000114.1E409 R410 L411 G415 R425 R451 L461E409-N413 VanDerWaalsContact O-CB 3.26Å; E409-N413 WeakPolarHBondContact O-CB 3.45Å; E409-N413 PolarHBondContact O-N 3.35Å; R410-N413 WeakPolarHBondContact O-CB 3.28Å; R410-N413 PolarHBondContact O-N 3.39Å; R410-N413 VanDerWaalsContact O-N 3.1Å; L411-N413 VanDerWaalsContact C-N 3.26Å; L411-N413 PolarHBondContact O-N 3.43Å; N413-G415 VanDerWaalsContact C-N 3.27Å; N413-R425 WeakPolarHBondContact O-CA 3.25Å; N413-R425 PolarHBondContact O-N 3.14Å; N413-R451 PolarHBondContact OD1-NH2 3.1Å; N413-L461 WeakPolarHBondContact ND2-CD2 3.45Å
414E79.8Confident80.9Confident54 Ų5488.7 Ų88.725%0.25246%0.462SS..Hα-helixtrans-73.5-22.3177.7-74.6178.517600112.2R410 L411 R424 R425 G463R410-E414 IonicContact NE-OE1 3.06Å; R410-E414 WeakPolarHBondContact O-CG 3.32Å; R410-E414 PolarHBondContact O-N 3.27Å; L411-E414 PolarHBondContact O-N 3.29Å; E414-R424 WeakPolarHBondContact O-CA 3.26Å; E414-R425 HydrophobicContact CG-CG 4.41Å; E414-G463 VanDerWaalsContact OE1-CA 3.27Å; E414-G463 WeakPolarHBondContact OE1-CA 3.39Å; E414-G463 PolarHBondContact OE1-N 3.11Å
415G76Confident79.8Confident23 Ų2387.4 Ų87.424%0.23745%0.452CS..  trans75.6176.8179.300000112.2L411 N413 P417L411-G415 PolarHBondContact O-N 3.15Å; N413-G415 VanDerWaalsContact C-N 3.27Å; G415-P417 VanDerWaalsContact O-CD 3.29Å; G415-P417 WeakPolarHBondContact O-CD 3.27Å
416N80.1Confident78.7Confident60 Ų6090.3 Ų90.332%0.32146%0.464SS..  trans-69.5117.5176.7-175.42.3000109.8L418 D419 E422N416-L418 PolarHBondContact O-N 2.91Å; N416-L418 VanDerWaalsContact O-N 3.1Å; N416-L418 WeakPolarHBondContact OD1-CB 3.18Å; N416-L418 PolarHBondContact OD1-N 3.03Å; N416-L418 VanDerWaalsContact OD1-N 3.13Å; N416-D419 HydrophobicContact CB-CB 4.24Å; N416-D419 VanDerWaalsContact ND2-CG 3.33Å; N416-D419 PolarHBondContact ND2-OD2 3.28Å; N416-D419 PolarHBondContact O-N 3.16Å; N416-E422 PolarHBondContact N-OE2 2.88Å
417P75.6Confident78.1Confident86 Ų8694.4 Ų94.456%0.55849%0.485SS*.THydrogen-bonded Turntrans-65-17.5-179.327-35.8000113.5G415 R424G415-P417 VanDerWaalsContact O-CD 3.29Å; G415-P417 WeakPolarHBondContact O-CD 3.27Å; P417-R424 PolarHBondContact O-NH2 3.42Å; P417-R424 VanDerWaalsContact O-NH2 3.11Å
418L80.4Confident77.6Confident144 Ų14496 Ų9675%0.75449%0.486SS*.THydrogen-bonded Turntrans-86.1-21.2-178.8-59.4176.4000113.5N416 P420N416-L418 PolarHBondContact O-N 2.91Å; N416-L418 VanDerWaalsContact O-N 3.1Å; N416-L418 WeakPolarHBondContact OD1-CB 3.18Å; N416-L418 PolarHBondContact OD1-N 3.03Å; N416-L418 VanDerWaalsContact OD1-N 3.13Å; L418-P420 WeakPolarHBondContact O-CD 3.48Å
419D78.8Confident77.2Confident80 Ų8097.8 Ų97.843%0.42850%0.495SS..  trans-98.3106.8-178.9-67.3-31.1000109.2N416 E421 E422N416-D419 HydrophobicContact CB-CB 4.24Å; N416-D419 VanDerWaalsContact ND2-CG 3.33Å; N416-D419 PolarHBondContact ND2-OD2 3.28Å; N416-D419 PolarHBondContact O-N 3.16Å; D419-E421 PolarHBondContact O-N 3.42Å; D419-E422 HydrophobicContact CB-CG 4.44Å; D419-E422 PolarHBondContact O-N 3.23Å
420P74.7Confident77.1Confident127 Ų127102.7 Ų102.783%0.82551%0.511SS*.THydrogen-bonded Turntrans-68.2-15.6-177.128.4-35.3000113.1L418L418-P420 WeakPolarHBondContact O-CD 3.48Å
421E74.8Confident77.1Confident184 Ų184101 Ų10186%0.8651%0.509SS*.THydrogen-bonded Turntrans-81.5-19.8179.5-60.2-170.7165.900112.8D419 P423D419-E421 PolarHBondContact O-N 3.42Å; E421-P423 WeakPolarHBondContact O-CD 3.45Å
422E69.4Low77.2Confident91 Ų9199.5 Ų99.543%0.42551%0.511SS..SBendtrans-82.3120.1174.2-73.1-158.6148.600110.4N416 D419 R424N416-E422 PolarHBondContact N-OE2 2.88Å; D419-E422 HydrophobicContact CB-CG 4.44Å; D419-E422 PolarHBondContact O-N 3.23Å; E422-R424 PolarHBondContact O-N 3.22Å; E422-R424 VanDerWaalsContact O-N 3.1Å
423P64.9Low77.4Confident84 Ų8499.9 Ų99.955%0.54552%0.515SS..  trans-66.3118.518025.8-32.8000109.7E421 R425E421-P423 WeakPolarHBondContact O-CD 3.45Å; P423-R425 PolarHBondContact O-N 3.4Å; P423-R425 VanDerWaalsContact O-N 3.1Å
424R66.2Low77.7Confident172 Ų172100.6 Ų100.665%0.64952%0.52SS*.SBendtrans-59.9116169.7-66.4-175.5-178.6-168.8-0.5108.2E414 P417 E422E414-R424 WeakPolarHBondContact O-CA 3.26Å; P417-R424 PolarHBondContact O-NH2 3.42Å; P417-R424 VanDerWaalsContact O-NH2 3.11Å; E422-R424 PolarHBondContact O-N 3.22Å; E422-R424 VanDerWaalsContact O-N 3.1Å
425R69.9Low78.3Confident86 Ų86103.4 Ų103.433%0.32554%0.543SS..  trans72.193.4173.6-49.7162.5175.7-170.8-7.6113.7N413 E414 P423 I427 D465N413-R425 WeakPolarHBondContact O-CA 3.25Å; N413-R425 PolarHBondContact O-N 3.14Å; E414-R425 HydrophobicContact CG-CG 4.41Å; P423-R425 PolarHBondContact O-N 3.4Å; P423-R425 VanDerWaalsContact O-N 3.1Å; R425-I427 HydrophobicContact CB-CD1 4.31Å; R425-I427 HydrophobicContact CB-CG1 4.28Å; R425-I427 PolarHBondContact O-N 3.23Å; R425-D465 IonicContact CZ-OD1 3.22Å; R425-D465 VanDerWaalsContact CZ-OD1 3.28Å; R425-D465 IonicContact NH1-OD1 3.47Å; R425-D465 PolarHBondContact NH1-OD1 3.45Å; R425-D465 IonicContact NH2-OD1 2.73Å; R425-D465 PolarHBondContact NH2-OD1 2.71Å
426K68.9Low78.9Confident144 Ų144104.5 Ų104.563%0.62654%0.543SS*.  trans-71.587.9168.9-63.7174-173.8167.80110.2
427I76.6Confident79.4Confident97 Ų97105.2 Ų105.250%0.49755%0.551SS.*  trans-105.1127.6174.3-57.4174000108.5R425 E429R425-I427 HydrophobicContact CB-CD1 4.31Å; R425-I427 HydrophobicContact CB-CG1 4.28Å; R425-I427 PolarHBondContact O-N 3.23Å; I427-E429 PolarHBondContact O-N 3.38Å
428Y77.8Confident80Confident122 Ų122107.7 Ų107.748%0.47857%0.567SS.*  trans-73.2124.9169.2-63.7-67.2000109.2Y430 P431 V434 R452Y428-Y430 PolarHBondContact O-N 3.07Å; Y428-P431 WeakPolarHBondContact O-CD 3.26Å; Y428-V434 HydrophobicContact CD1-CG2 3.57Å; Y428-V434 HydrophobicContact CD2-CG2 4.42Å; Y428-V434 HydrophobicContact CE1-CG1 4.2Å; Y428-V434 HydrophobicContact CE1-CG2 4Å; Y428-V434 HydrophobicContact CG-CG2 3.8Å; Y428-R452 HydrophobicContact CD2-CG 4.17Å; Y428-R452 HydrophobicContact CE2-CG 4.33Å
429E81.4Confident80.6Confident169 Ų169110.6 Ų110.679%0.7957%0.573SS**SBendtrans-55.8-40.6173.6-66.3-179.3172.700111.6I427 P431I427-E429 PolarHBondContact O-N 3.38Å; E429-P431 WeakPolarHBondContact O-CD 3.47Å
430Y87.8Confident81.1Confident168 Ų168108.3 Ų108.366%0.65956%0.561SS**SBendtrans-123.479.1179.2-57.5-75.5000110.7Y428 A432 A433Y428-Y430 PolarHBondContact O-N 3.07Å; Y430-A432 PolarHBondContact O-N 3.34Å; Y430-A432 VanDerWaalsContact O-N 3.15Å; Y430-A433 PolarHBondContact O-N 3.13Å
431P85.8Confident81.8Confident30 Ų30105.5 Ų105.520%0.19554%0.542CS..THydrogen-bonded Turntrans-60.2-31.7-169.819.9-31000114.1Y428 E429 R452 L453Y428-P431 WeakPolarHBondContact O-CD 3.26Å; E429-P431 WeakPolarHBondContact O-CD 3.47Å; P431-R452 HydrophobicContact CB-CB 3.7Å; P431-L453 HydrophobicContact CB-CD2 4.38Å; P431-L453 HydrophobicContact CG-CD2 3.88Å
432A86.7Confident82.1Confident72 Ų72101.7 Ų101.760%0.59554%0.536SS*.THydrogen-bonded Turntrans-82.1-17.3179.300000113.9Y430Y430-A432 PolarHBondContact O-N 3.34Å; Y430-A432 VanDerWaalsContact O-N 3.15Å
433A88.9Confident82.6Confident79 Ų79100.7 Ų100.765%0.65353%0.528SS*.THydrogen-bonded Turntrans-84.3-20.2179.300000112.4Y430 P435Y430-A433 PolarHBondContact O-N 3.13Å; A433-P435 WeakPolarHBondContact O-CD 3.47Å
434V88.3Confident83.7Confident40 Ų40103 Ų10324%0.24253%0.526CS..SBendtrans-69.9119.9179.71790000109.6Y428 I436 R452Y428-V434 HydrophobicContact CD1-CG2 3.57Å; Y428-V434 HydrophobicContact CD2-CG2 4.42Å; Y428-V434 HydrophobicContact CE1-CG1 4.2Å; Y428-V434 HydrophobicContact CE1-CG2 4Å; Y428-V434 HydrophobicContact CG-CG2 3.8Å; V434-I436 PolarHBondContact O-N 2.86Å; V434-R452 PolarHBondContact O-NH1 2.91Å
435P90.7Very high84.7Confident113 Ų11397 Ų9773%0.73451%0.508SS*.PPolyproline II helixtrans-61.9140.4-176.825.2-33.5000111.2A433A433-P435 WeakPolarHBondContact O-CD 3.47Å
436I89.3Confident85.4Confident47 Ų4798 Ų9824%0.24152%0.515CS..PPolyproline II helixtrans-93.7136.8176.8-59.9179.1000108.2V434 M440 V445 M449V434-I436 PolarHBondContact O-N 2.86Å; I436-M440 HydrophobicContact CG2-CB 4.23Å; I436-M440 HydrophobicContact CG2-CE 4.09Å; I436-M440 HydrophobicContact CG2-CG 4.31Å; I436-M440 HydrophobicContact CG2-SD 3.48Å; I436-M440 WeakPolarHBondContact CG2-SD 3.33Å; I436-V445 HydrophobicContact CD1-CG1 3.74Å; I436-V445 HydrophobicContact CG2-CB 4.49Å; I436-V445 HydrophobicContact CG2-CG1 4.33Å; I436-V445 HydrophobicContact CG2-CG2 3.84Å; I436-M449 HydrophobicContact CD1-CE 3.93Å
437P90.6Very high86.2Confident75 Ų7592 Ų9249%0.48749%0.489SS..PPolyproline II helixtrans-54134.4-178.9-26.233.2000112.2K439 M440P437-K439 PolarHBondContact O-N 2.75Å; P437-K439 VanDerWaalsContact O-N 3.13Å; P437-M440 HydrophobicContact CB-CB 4.48Å; P437-M440 HydrophobicContact CG-SD 4.37Å; P437-M440 WeakPolarHBondContact O-CB 3.44Å; P437-M440 PolarHBondContact O-N 3.03Å; P437-M440 VanDerWaalsContact O-N 3.14Å
438P87.5Confident86.7Confident138 Ų13889.2 Ų89.290%0.89647%0.474SS*.THydrogen-bonded Turntrans-67.5-18.8-172.725.7-34.8000113.8M440P438-M440 VanDerWaalsContact C-N 3.34Å
439K92.8Very high87.2Confident205 Ų20586 Ų8689%0.89146%0.464SS*.THydrogen-bonded Turntrans-892.6179.2-65.3-175.2179.1179.80113.8P437P437-K439 PolarHBondContact O-N 2.75Å; P437-K439 VanDerWaalsContact O-N 3.13Å
440M90.3Very high87.4Confident32 Ų3280.5 Ų80.516%0.15844%0.438CS..  trans-79.2129.2-171.8-167.2155.6155.500111.8I436 P437 P438 W444 V445 E448I436-M440 HydrophobicContact CG2-CB 4.23Å; I436-M440 HydrophobicContact CG2-CE 4.09Å; I436-M440 HydrophobicContact CG2-CG 4.31Å; I436-M440 HydrophobicContact CG2-SD 3.48Å; I436-M440 WeakPolarHBondContact CG2-SD 3.33Å; P437-M440 HydrophobicContact CB-CB 4.48Å; P437-M440 HydrophobicContact CG-SD 4.37Å; P437-M440 WeakPolarHBondContact O-CB 3.44Å; P437-M440 PolarHBondContact O-N 3.03Å; P437-M440 VanDerWaalsContact O-N 3.14Å; P438-M440 VanDerWaalsContact C-N 3.34Å; M440-W444 VanDerWaalsContact CE-C 3.41Å; M440-W444 HydrophobicContact CE-CB 4.09Å; M440-W444 HydrophobicContact CE-CG 3.71Å; M440-W444 VanDerWaalsContact CE-O 3.23Å; M440-W444 WeakPolarHBondContact CE-O 3.29Å; M440-W444 HydrophobicContact CG-CB 4Å; M440-W444 HydrophobicContact CG-CG 4.16Å; M440-W444 VanDerWaalsContact SD-CD1 3.55Å; M440-V445 HydrophobicContact CB-CG2 3.81Å; M440-V445 HydrophobicContact CE-CG2 4.46Å; M440-V445 HydrophobicContact CG-CG2 3.67Å; M440-V445 HydrophobicContact SD-CG2 4.36Å; M440-E448 HydrophobicContact CE-CB 3.22Å; M440-E448 HydrophobicContact CE-CG 3.63Å
441P88.4Confident87.4Confident68 Ų6874.7 Ų74.744%0.44242%0.415SS..  trans-61.1144.9176.4-23.433.4000112.2W443 W444 V445P441-W443 VanDerWaalsContact C-N 3.26Å; P441-W443 PolarHBondContact O-N 2.85Å; P441-W443 VanDerWaalsContact O-N 3.12Å; P441-W444 PolarHBondContact O-N 3.32Å; P441-V445 WeakPolarHBondContact O-CG2 3.42Å; P441-V445 PolarHBondContact O-N 2.88Å
442S82.3Confident87.5Confident104 Ų10474.5 Ų74.573%0.72741%0.411SS*.Hα-helixtrans-55.9-34.1-174.558.60000114.8V445 K446S442-V445 WeakPolarHBondContact O-CB 3.36Å; S442-K446 PolarHBondContact O-N 3.5Å; S442-K446 VanDerWaalsContact O-N 3.15Å
443W80.2Confident87.6Confident70 Ų7074.2 Ų74.227%0.26540%0.399SS..Hα-helixtrans-69.7-42.8176.373.3-87.5000111.7F389 D390 P441 V445 K446 Q447F389-W443 HydrophobicContact CE1-CB 4.5Å; F389-W443 AromaticContact CE1-CD1 3.62Å; F389-W443 AromaticContact CE1-CD2 3.62Å; F389-W443 HydrophobicContact CE1-CD2 3.62Å; F389-W443 AromaticContact CE1-CE2 3.57Å; F389-W443 HydrophobicContact CE1-CE3 4.28Å; F389-W443 AromaticContact CE1-CG 3.68Å; F389-W443 HydrophobicContact CE1-CG 3.68Å; F389-W443 HydrophobicContact CE1-CZ2 4.16Å; F389-W443 AromaticContact CE1-NE1 3.55Å; F389-W443 HydrophobicContact CE2-CH2 4.43Å; F389-W443 HydrophobicContact CE2-CZ2 4.48Å; F389-W443 AromaticContact CZ-CD2 3.7Å; F389-W443 HydrophobicContact CZ-CD2 3.7Å; F389-W443 AromaticContact CZ-CE2 3.39Å; F389-W443 HydrophobicContact CZ-CE3 4.08Å; F389-W443 HydrophobicContact CZ-CG 4.27Å; F389-W443 AromaticContact CZ-CH2 3.79Å; F389-W443 HydrophobicContact CZ-CH2 3.79Å; F389-W443 AromaticContact CZ-CZ2 3.49Å; F389-W443 HydrophobicContact CZ-CZ2 3.49Å; F389-W443 VanDerWaalsContact CZ-CZ2 3.49Å; F389-W443 HydrophobicContact CZ-CZ3 4.09Å; F389-W443 AromaticContact CZ-NE1 3.78Å; D390-W443 HydrophobicContact CB-CE3 3.77Å; D390-W443 HydrophobicContact CB-CZ3 3.81Å; P441-W443 VanDerWaalsContact C-N 3.26Å; P441-W443 PolarHBondContact O-N 2.85Å; P441-W443 VanDerWaalsContact O-N 3.12Å; W443-V445 VanDerWaalsContact C-N 3.32Å; W443-V445 PolarHBondContact O-N 3.21Å; W443-K446 WeakPolarHBondContact O-CB 3.44Å; W443-K446 PolarHBondContact O-N 3.36Å; W443-K446 VanDerWaalsContact O-N 3.14Å; W443-Q447 HydrophobicContact CE3-CG 4.31Å; W443-Q447 PolarHBondContact O-N 3.15Å
444W86.9Confident87.4Confident133 Ų13372.8 Ų72.850%0.50438%0.377SS..Hα-helixtrans-64.9-40.3176.1-163.2-112.3000109.7M440 P441 K446 Q447 E448M440-W444 VanDerWaalsContact CE-C 3.41Å; M440-W444 HydrophobicContact CE-CB 4.09Å; M440-W444 HydrophobicContact CE-CG 3.71Å; M440-W444 VanDerWaalsContact CE-O 3.23Å; M440-W444 WeakPolarHBondContact CE-O 3.29Å; M440-W444 HydrophobicContact CG-CB 4Å; M440-W444 HydrophobicContact CG-CG 4.16Å; M440-W444 VanDerWaalsContact SD-CD1 3.55Å; P441-W444 PolarHBondContact O-N 3.32Å; W444-K446 PolarHBondContact O-N 2.67Å; W444-Q447 PolarHBondContact O-N 3.01Å; W444-E448 VanDerWaalsContact O-CB 3.28Å; W444-E448 WeakPolarHBondContact O-CB 3.35Å; W444-E448 PolarHBondContact O-N 3.13Å
445V88.1Confident87.1Confident45 Ų4578.5 Ų78.527%0.27339%0.394SS..Hα-helixtrans-54.1-43.9173.2171.90000110.9I436 M440 P441 S442 W443 M449I436-V445 HydrophobicContact CD1-CG1 3.74Å; I436-V445 HydrophobicContact CG2-CB 4.49Å; I436-V445 HydrophobicContact CG2-CG1 4.33Å; I436-V445 HydrophobicContact CG2-CG2 3.84Å; M440-V445 HydrophobicContact CB-CG2 3.81Å; M440-V445 HydrophobicContact CE-CG2 4.46Å; M440-V445 HydrophobicContact CG-CG2 3.67Å; M440-V445 HydrophobicContact SD-CG2 4.36Å; P441-V445 WeakPolarHBondContact O-CG2 3.42Å; P441-V445 PolarHBondContact O-N 2.88Å; S442-V445 WeakPolarHBondContact O-CB 3.36Å; W443-V445 VanDerWaalsContact C-N 3.32Å; W443-V445 PolarHBondContact O-N 3.21Å; V445-M449 WeakPolarHBondContact O-CB 3.43Å; V445-M449 PolarHBondContact O-N 3.43Å
446K84Confident86.7Confident108 Ų10875.7 Ų75.747%0.4739%0.386SS..Hα-helixtrans-67.5-44.5178-169.3-179179.1-1730112S442 W443 W444 M449 Q450S442-K446 PolarHBondContact O-N 3.5Å; S442-K446 VanDerWaalsContact O-N 3.15Å; W443-K446 WeakPolarHBondContact O-CB 3.44Å; W443-K446 PolarHBondContact O-N 3.36Å; W443-K446 VanDerWaalsContact O-N 3.14Å; W444-K446 PolarHBondContact O-N 2.67Å; K446-M449 PolarHBondContact O-N 3.17Å; K446-Q450 WeakPolarHBondContact O-CG 3.27Å; K446-Q450 PolarHBondContact O-N 2.9Å
447Q85Confident86.3Confident17 Ų1777 Ų778%0.07939%0.388CS..Hα-helixtrans-61-47.9176.9-80.6-68.7-8.500111.9D390 W443 W444 M449 Q450 R451D390-Q447 VanDerWaalsContact OD2-CG 3.28Å; D390-Q447 WeakPolarHBondContact OD2-CG 3.21Å; D390-Q447 PolarHBondContact OD2-NE2 3.14Å; W443-Q447 HydrophobicContact CE3-CG 4.31Å; W443-Q447 PolarHBondContact O-N 3.15Å; W444-Q447 PolarHBondContact O-N 3.01Å; Q447-M449 VanDerWaalsContact C-N 3.33Å; Q447-M449 PolarHBondContact O-N 3.44Å; Q447-Q450 CarbonylContact O-C 3.38Å; Q447-Q450 PolarHBondContact O-N 2.89Å; Q447-Q450 VanDerWaalsContact O-N 3.14Å; Q447-R451 WeakPolarHBondContact O-CB 2.98Å; Q447-R451 PolarHBondContact O-N 2.83Å
448E88Confident86Confident38 Ų3874.3 Ų74.318%0.17837%0.368CS..Hα-helixtrans-62-41.6178.1-178.558.8-155.600111.5M440 W444 Q450 R451 R452M440-E448 HydrophobicContact CE-CB 3.22Å; M440-E448 HydrophobicContact CE-CG 3.63Å; W444-E448 VanDerWaalsContact O-CB 3.28Å; W444-E448 WeakPolarHBondContact O-CB 3.35Å; W444-E448 PolarHBondContact O-N 3.13Å; E448-Q450 PolarHBondContact O-N 3.44Å; E448-R451 WeakPolarHBondContact O-CB 3.49Å; E448-R451 PolarHBondContact O-N 3.47Å; E448-R452 WeakPolarHBondContact O-CB 3.5Å; E448-R452 VanDerWaalsContact O-CG 3.26Å; E448-R452 WeakPolarHBondContact O-CG 3.37Å; E448-R452 PolarHBondContact O-N 3.2Å; E448-R452 IonicContact OE1-CZ 2.77Å; E448-R452 IonicContact OE1-NE 3.43Å; E448-R452 PolarHBondContact OE1-NE 2.97Å; E448-R452 IonicContact OE1-NH2 3.25Å
449M87.6Confident85.8Confident54 Ų5477 Ų7727%0.26636%0.36SS..Hα-helixtrans-62.3-43.1173.9-173.761.775.100111.6I436 V445 K446 Q447 R451 R452 L453I436-M449 HydrophobicContact CD1-CE 3.93Å; V445-M449 WeakPolarHBondContact O-CB 3.43Å; V445-M449 PolarHBondContact O-N 3.43Å; K446-M449 PolarHBondContact O-N 3.17Å; Q447-M449 VanDerWaalsContact C-N 3.33Å; Q447-M449 PolarHBondContact O-N 3.44Å; M449-R451 VanDerWaalsContact C-N 3.34Å; M449-R452 PolarHBondContact O-N 3.02Å; M449-L453 HydrophobicContact CG-CD1 3.86Å; M449-L453 HydrophobicContact CG-CG 4.46Å; M449-L453 VanDerWaalsContact O-CB 3.32Å; M449-L453 WeakPolarHBondContact O-CB 3.26Å; M449-L453 VanDerWaalsContact O-CG 3.27Å; M449-L453 WeakPolarHBondContact O-CG 3.47Å; M449-L453 PolarHBondContact O-N 2.95Å; M449-L453 HydrophobicContact SD-CD1 4Å; M449-L453 HydrophobicContact SD-CG 4.2Å
450Q86.8Confident85.3Confident54 Ų5472 Ų7225%0.25234%0.34SS..Hα-helixtrans-64.2-38.7175.3-72.8-174.3-6.800112.2K446 Q447 E448 L453 R454 R455K446-Q450 WeakPolarHBondContact O-CG 3.27Å; K446-Q450 PolarHBondContact O-N 2.9Å; Q447-Q450 CarbonylContact O-C 3.38Å; Q447-Q450 PolarHBondContact O-N 2.89Å; Q447-Q450 VanDerWaalsContact O-N 3.14Å; E448-Q450 PolarHBondContact O-N 3.44Å; Q450-L453 CarbonylContact O-C 3.54Å; Q450-L453 PolarHBondContact O-N 2.92Å; Q450-R454 PolarHBondContact O-N 2.96Å; Q450-R455 PolarHBondContact O-N 3.48Å
451R87.8Confident84.9Confident47 Ų4770.5 Ų70.518%0.17733%0.332CS..Hα-helixtrans-59.6-52.8173.9-178-176.7172.2151.84.2110.6E409 N413 Q447 E448 M449 L453 R454 W458 L461E409-R451 VanDerWaalsContact CD-NH1 3.29Å; E409-R451 IonicContact OE1-CZ 3.97Å; E409-R451 IonicContact OE1-NH1 2.64Å; E409-R451 PolarHBondContact OE1-NH1 3.49Å; E409-R451 IonicContact OE1-NH2 3.28Å; E409-R451 IonicContact OE2-CZ 3.76Å; E409-R451 VanDerWaalsContact OE2-CZ 3.29Å; E409-R451 IonicContact OE2-NH1 2.9Å; E409-R451 PolarHBondContact OE2-NH1 3.47Å; E409-R451 IonicContact OE2-NH2 3.87Å; E409-R451 PolarHBondContact OE2-NH2 3.01Å; N413-R451 PolarHBondContact OD1-NH2 3.1Å; Q447-R451 WeakPolarHBondContact O-CB 2.98Å; Q447-R451 PolarHBondContact O-N 2.83Å; E448-R451 WeakPolarHBondContact O-CB 3.49Å; E448-R451 PolarHBondContact O-N 3.47Å; M449-R451 VanDerWaalsContact C-N 3.34Å; R451-L453 VanDerWaalsContact C-N 3.31Å; R451-L453 PolarHBondContact O-N 2.64Å; R451-R454 PolarHBondContact O-N 3.16Å; R451-R454 VanDerWaalsContact O-N 3.15Å; R451-R454 PolarHBondContact O-NH1 2.92Å; R451-W458 HydrophobicContact CB-CD2 3.91Å; R451-W458 HydrophobicContact CB-CG 3.94Å; R451-W458 HydrophobicContact CB-CZ2 4.43Å; R451-W458 HydrophobicContact CG-CD2 4.08Å; R451-W458 HydrophobicContact CG-CE3 4.22Å; R451-W458 HydrophobicContact CG-CG 4.4Å; R451-L461 HydrophobicContact CG-CD1 4.47Å
452R88.1Confident84.2Confident26 Ų2669.3 Ų69.310%0.09832%0.322CS..Hα-helixtrans-61.1-37.7178.7-68.3176.5-172.5-172.7-0.5112.7Y428 P431 V434 E448 M449 R454Y428-R452 HydrophobicContact CD2-CG 4.17Å; Y428-R452 HydrophobicContact CE2-CG 4.33Å; P431-R452 HydrophobicContact CB-CB 3.7Å; V434-R452 PolarHBondContact O-NH1 2.91Å; E448-R452 WeakPolarHBondContact O-CB 3.5Å; E448-R452 VanDerWaalsContact O-CG 3.26Å; E448-R452 WeakPolarHBondContact O-CG 3.37Å; E448-R452 PolarHBondContact O-N 3.2Å; E448-R452 IonicContact OE1-CZ 2.77Å; E448-R452 IonicContact OE1-NE 3.43Å; E448-R452 PolarHBondContact OE1-NE 2.97Å; E448-R452 IonicContact OE1-NH2 3.25Å; M449-R452 PolarHBondContact O-N 3.02Å; R452-R454 VanDerWaalsContact C-N 3.33Å
453L87.3Confident83.4Confident65 Ų6565.1 Ų65.134%0.3430%0.295SS..THydrogen-bonded Turntrans-83.8-0.7178.1-67.6174.1000114.5P431 M449 Q450 R451 R455P431-L453 HydrophobicContact CB-CD2 4.38Å; P431-L453 HydrophobicContact CG-CD2 3.88Å; M449-L453 HydrophobicContact CG-CD1 3.86Å; M449-L453 HydrophobicContact CG-CG 4.46Å; M449-L453 VanDerWaalsContact O-CB 3.32Å; M449-L453 WeakPolarHBondContact O-CB 3.26Å; M449-L453 VanDerWaalsContact O-CG 3.27Å; M449-L453 WeakPolarHBondContact O-CG 3.47Å; M449-L453 PolarHBondContact O-N 2.95Å; M449-L453 HydrophobicContact SD-CD1 4Å; M449-L453 HydrophobicContact SD-CG 4.2Å; Q450-L453 CarbonylContact O-C 3.54Å; Q450-L453 PolarHBondContact O-N 2.92Å; R451-L453 VanDerWaalsContact C-N 3.31Å; R451-L453 PolarHBondContact O-N 2.64Å; L453-R455 VanDerWaalsContact C-N 3.26Å; L453-R455 HydrophobicContact CB-CG 3.98Å; L453-R455 PolarHBondContact O-N 3.06Å
454R85.2Confident82.5Confident50 Ų5070.3 Ų70.319%0.18932%0.322CS..THydrogen-bonded Turntrans52.742.6-176.4-58-63-171.2-102.11.6113.1Q450 R451 R452 W458 L461 N462Q450-R454 PolarHBondContact O-N 2.96Å; R451-R454 PolarHBondContact O-N 3.16Å; R451-R454 VanDerWaalsContact O-N 3.15Å; R451-R454 PolarHBondContact O-NH1 2.92Å; R452-R454 VanDerWaalsContact C-N 3.33Å; R454-W458 VanDerWaalsContact CD-O 3.25Å; R454-W458 WeakPolarHBondContact CD-O 3.29Å; R454-L461 VanDerWaalsContact CZ-CD2 3.4Å; R454-N462 PolarHBondContact NE-OD1 3.2Å; R454-N462 PolarHBondContact NH2-OD1 3.13Å
455R83.2Confident80.9Confident159 Ų15969.4 Ų69.460%0.633%0.327SS*.  trans-101.8149.7179.5-69.9-174.5178.1-167.80.3111.8Q450 L453 R457 W458Q450-R455 PolarHBondContact O-N 3.48Å; L453-R455 VanDerWaalsContact C-N 3.26Å; L453-R455 HydrophobicContact CB-CG 3.98Å; L453-R455 PolarHBondContact O-N 3.06Å; R455-R457 PolarHBondContact O-N 3.48Å; R455-W458 PolarHBondContact O-N 2.95Å
456G80.5Confident78.9Confident55 Ų5574.4 Ų74.457%0.56739%0.387SS*.G310 helixtrans62.9-131.8178.600000111.7W458 R459G456-W458 PolarHBondContact O-N 3.47Å; G456-R459 WeakPolarHBondContact O-CB 3.47Å; G456-R459 PolarHBondContact O-N 3.32Å
457R80.6Confident78.6Confident75 Ų7572.7 Ų72.728%0.28338%0.383SS..G310 helixtrans-58.9-26.7179.677-175.7-170.5164.623113.7D394 I406 R455 R459D394-R457 IonicContact OD1-NH1 3.17Å; D394-R457 IonicContact OD2-CZ 3.29Å; D394-R457 IonicContact OD2-NH1 2.67Å; D394-R457 PolarHBondContact OD2-NH1 3.06Å; I406-R457 HydrophobicContact CD1-CB 3.98Å; I406-R457 HydrophobicContact CD1-CG 4.4Å; R455-R457 PolarHBondContact O-N 3.48Å; R457-R459 PolarHBondContact O-N 3.37Å
458W84.8Confident78.3Confident17 Ų1775.6 Ų75.66%0.06440%0.399CS..G310 helixtrans-80.44.4-178.4-52.1112.1000114.2R451 R454 R455 G456 E460 L461R451-W458 HydrophobicContact CB-CD2 3.91Å; R451-W458 HydrophobicContact CB-CG 3.94Å; R451-W458 HydrophobicContact CB-CZ2 4.43Å; R451-W458 HydrophobicContact CG-CD2 4.08Å; R451-W458 HydrophobicContact CG-CE3 4.22Å; R451-W458 HydrophobicContact CG-CG 4.4Å; R454-W458 VanDerWaalsContact CD-O 3.25Å; R454-W458 WeakPolarHBondContact CD-O 3.29Å; R455-W458 PolarHBondContact O-N 2.95Å; G456-W458 PolarHBondContact O-N 3.47Å; W458-E460 VanDerWaalsContact C-N 3.27Å; W458-E460 PolarHBondContact O-N 3.33Å; W458-L461 HydrophobicContact CD2-CD1 4.35Å; W458-L461 HydrophobicContact CE3-CD1 3.29Å; W458-L461 HydrophobicContact CZ3-CD1 3.71Å; W458-L461 VanDerWaalsContact O-CB 3.26Å; W458-L461 WeakPolarHBondContact O-CB 3.45Å; W458-L461 PolarHBondContact O-N 3.31Å
459R84Confident77.8Confident196 Ų19677.7 Ų77.774%0.7441%0.412SS*.G310 helixtrans-65.2-34177.9-168.8-177.4-76.4-148.8-0.1111.7G456 R457 L461G456-R459 WeakPolarHBondContact O-CB 3.47Å; G456-R459 PolarHBondContact O-N 3.32Å; R457-R459 PolarHBondContact O-N 3.37Å; R459-L461 VanDerWaalsContact C-N 3.26Å; R459-L461 PolarHBondContact O-N 3.23Å
460E81.3Confident77.2Confident100 Ų10079.1 Ų79.147%0.46742%0.42SS..G310 helixtrans-84.75.4-178.1-64.3175.4-172.800113.7I406 R410 W458 N462I406-E460 HydrophobicContact CG2-CB 4.33Å; R410-E460 PolarHBondContact NE-O 3.1Å; R410-E460 PolarHBondContact NH2-O 2.91Å; W458-E460 VanDerWaalsContact C-N 3.27Å; W458-E460 PolarHBondContact O-N 3.33Å; E460-N462 PolarHBondContact O-N 3.1Å
461L82.4Confident76.6Confident0 Ų080.7 Ų80.70%043%0.431CS..G310 helixtrans-74.1-9.9-172.6-159.9123.3000114.1E409 R410 N413 R451 R454 W458 R459E409-L461 HydrophobicContact CB-CD1 4.12Å; R410-L461 WeakPolarHBondContact CG-O 3.34Å; N413-L461 WeakPolarHBondContact ND2-CD2 3.45Å; R451-L461 HydrophobicContact CG-CD1 4.47Å; R454-L461 VanDerWaalsContact CZ-CD2 3.4Å; W458-L461 HydrophobicContact CD2-CD1 4.35Å; W458-L461 HydrophobicContact CE3-CD1 3.29Å; W458-L461 HydrophobicContact CZ3-CD1 3.71Å; W458-L461 VanDerWaalsContact O-CB 3.26Å; W458-L461 WeakPolarHBondContact O-CB 3.45Å; W458-L461 PolarHBondContact O-N 3.31Å; R459-L461 VanDerWaalsContact C-N 3.26Å; R459-L461 PolarHBondContact O-N 3.23Å
462N73.8Confident75.8Confident43 Ų4382.9 Ų82.923%0.2345%0.447CS..SBendtrans-112.1135.7169.8-61.8-10.6000107.6R410 R454 E460R410-N462 PolarHBondContact NE-O 3.1Å; R410-N462 PolarHBondContact NH2-O 2.75Å; R454-N462 PolarHBondContact NE-OD1 3.2Å; R454-N462 PolarHBondContact NH2-OD1 3.13Å; E460-N462 PolarHBondContact O-N 3.1Å
463G66.3Low75Confident15 Ų1587 Ų8716%0.15547%0.472CS..  trans-40.4155.4168.700000114.1R410 E414 D465R410-G463 VanDerWaalsContact NE-N 3.17Å; E414-G463 VanDerWaalsContact OE1-CA 3.27Å; E414-G463 WeakPolarHBondContact OE1-CA 3.39Å; E414-G463 PolarHBondContact OE1-N 3.11Å; G463-D465 PolarHBondContact O-N 3.18Å; G463-D465 VanDerWaalsContact O-N 3.16Å
464H60.3Low74Confident180 Ų18088.7 Ų88.783%0.83348%0.483SS*.  trans-57.8122.8163.4-117.4-77.8000107.2G466H464-G466 PolarHBondContact O-N 3.26Å
465D52.8Low73.1Confident114 Ų11491.9 Ų91.961%0.6151%0.507SS*.  trans-63.4118.1162.9-66.9-28000105.5R425 G463R425-D465 IonicContact CZ-OD1 3.22Å; R425-D465 VanDerWaalsContact CZ-OD1 3.28Å; R425-D465 IonicContact NH1-OD1 3.47Å; R425-D465 PolarHBondContact NH1-OD1 3.45Å; R425-D465 IonicContact NH2-OD1 2.73Å; R425-D465 PolarHBondContact NH2-OD1 2.71Å; G463-D465 PolarHBondContact O-N 3.18Å; G463-D465 VanDerWaalsContact O-N 3.16Å
466G46.9Very low72.2Confident149 Ų14985.8 Ų85.8100%1.53650%0.499SS*.  trans-61.40-179.300000112.5H464H464-G466 PolarHBondContact O-N 3.26Å

Retrieved 466 of 466 residues in 836.9 ms (Link to these results)