G4LYB8_SCHMA Loading...

Heterogeneous nuclear ribonucleoprotein,putative

AlphaFold DB , UniProt , Accession G4LYB8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 380 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
1M43.3Very low51.7Low243 Ų243148.3 Ų148.3100%1.19779%0.788SS**  0108.70-76.6171.8165.800107
2V50.7Low51.9Low126 Ų126147.4 Ų147.476%0.76478%0.784SS**  cis-145.3153.6-7.7176.50000106.3
3D49.8Very low51.7Low130 Ų130143.7 Ų143.770%0.69578%0.777SS**  trans-7.5137.7167.7-61.7-109.3000118.7
4E49.7Very low52.1Low172 Ų172138.4 Ų138.480%0.80476%0.762SS**  63.8111.761.7-153.9170.8146.600110.9
5S58.5Low51.6Low111 Ų111139.9 Ų139.978%0.77677%0.769SS**  -175.6159.390.8-71.80000112.7
6K48Very low51Low213 Ų213134.8 Ų134.893%0.92676%0.758SS**  trans-101.5157.7177.1-64.4172.5177.7172.90112.3
7G49Very low50.9Low67 Ų67137.2 Ų137.269%0.69177%0.768SS**  trans156.4146.8156.500000112.8
8Q53.8Low51Low168 Ų168134.8 Ų134.879%0.78576%0.762SS**  cis-170.5153.7-10-131.8161.8-12.400109.4
9H56Low50.7Low145 Ų145137.4 Ų137.467%0.67177%0.767SS**  trans72.1146.7146.8-83.514.1000120.2
10Q53.4Low50.4Low138 Ų138138.6 Ų138.665%0.64577%0.772SS**  cis-168.4149.8-8.7-154.9162.113.500111.1
11V56.5Low50.3Low118 Ų118137.1 Ų137.172%0.71577%0.771SS**  trans51.1147.9152.7-67.50000120.5
12D54Low50.4Low138 Ų138130.2 Ų130.274%0.73874%0.744SS**  cis-164.5171.20.8-121.4-36.3000108.5
13S49.9Very low50.5Low99 Ų99131.4 Ų131.469%0.69275%0.746SS**  cis-157.3-173.9-3.1-146.30000114.1
14A56.3Low50.2Low69 Ų69130.6 Ų130.657%0.5775%0.748SS**  trans-47.1166.7164.700000118.7
15N45.4Very low49.7Very low162 Ų162131 Ų13187%0.86676%0.755SS**  cis-167.4158.8-9.2-96-20.1000106.8
16G42.4Very low49.3Very low58 Ų58131.4 Ų131.460%0.59876%0.758SS**  cis169.1164.8-6.900000112.8
17L48.9Very low49.3Very low175 Ų175126.5 Ų126.592%0.91675%0.747SS**  trans68.6138.3151-52.4171.9000118.7
18S51.9Low49.1Very low94 Ų94130.2 Ų130.266%0.65775%0.75SS**  cis-155.6147.714.847.50000113.5
19E46Very low48.3Very low185 Ų185128.2 Ų128.286%0.86475%0.745SS**  trans51.6132.2144.9-58.4173.2159.500119.2
20N43.9Very low47.6Very low161 Ų161127.7 Ų127.786%0.86176%0.756SS**  cis-157.4170.628.6-149.1-21.3000111.7
21S48.1Very low46.9Very low107 Ų107128.7 Ų128.775%0.74877%0.766SS**  trans-120-179.1-165.7-112.40000114
22P46.5Very low46.5Very low98 Ų98132 Ų13264%0.63677%0.774SS**  cis-141.2167.8-20.836.2-16.9000117.4
23N51.8Low45.7Very low151 Ų151134.3 Ų134.381%0.80778%0.777SS**  trans67.8155.3149.9-63.3-10.9000122.2
24P44.3Very low45.4Very low113 Ų113135.1 Ų135.173%0.73478%0.78SS**  -133.6128.4-50.135.9-19000112.8
25L39.6Very low44.6Very low182 Ų182137.5 Ų137.595%0.95379%0.788SS**  trans-132.7114.2169.9-79.5169.5000110
26S49.1Very low44Very low119 Ų119138 Ų13883%0.83279%0.791SS**  trans-121.1107.1170.356.20000109.5
27P48.5Very low43.6Very low109 Ų109138.3 Ų138.371%0.70879%0.794SS**  trans-79.5162165.735-32.8000110.3
28L44.4Very low42.9Very low145 Ų145135.3 Ų135.376%0.75979%0.794SS**  trans163.6140.3131.8-85.3160.5000112
29D37.4Very low42Very low127 Ų127137.7 Ų137.768%0.67980%0.799SS**  trans57.796.9148.4-49.8-21.5000120.8
30C40.2Very low41.5Very low133 Ų133135.4 Ų135.490%0.89979%0.793SS**  trans-119.873.3156.9-62.30000109.7E32C30-E32 PolarHBondContact O-N 3.15Å; C30-E32 VanDerWaalsContact O-N 3.1Å
31D40.5Very low41.3Very low159 Ų159132.5 Ų132.585%0.8579%0.785SS**  trans-72.987.9168.2-104.8-53.7000110.2
32E46.4Very low41Very low188 Ų188133.6 Ų133.688%0.87979%0.787SS**  trans-135.9124.1154.4-85.7-151.910900111.7C30 P34C30-E32 PolarHBondContact O-N 3.15Å; C30-E32 VanDerWaalsContact O-N 3.1Å; E32-P34 WeakPolarHBondContact O-CD 3.29Å
33K37.3Very low40.8Very low187 Ų187133.3 Ų133.381%0.81378%0.784SS**  trans-93.4113.2-174.4169.8-167.8178.2-177.50110.7
34P44.2Very low40.6Very low116 Ų116127.7 Ų127.775%0.75375%0.754SS**  trans-78.7147152.323.5-13000109.7E32E32-P34 WeakPolarHBondContact O-CD 3.29Å
35T39.9Very low41Very low119 Ų119127.1 Ų127.173%0.7374%0.741SS**  trans-74.4152.5-170.844.10000113.3G37T35-G37 PolarHBondContact O-N 3.18Å
36N32.1Very low41.7Very low173 Ų173119.8 Ų119.893%0.92570%0.703SS**  trans-6484166-75.2-18000110.3A38N36-A38 PolarHBondContact O-N 2.91Å
37G33.7Very low42.1Very low64 Ų64118.7 Ų118.766%0.6669%0.688SS**  trans-79.794.5161.600000108.9T35 D39T35-G37 PolarHBondContact O-N 3.18Å; G37-D39 VanDerWaalsContact C-N 3.26Å; G37-D39 PolarHBondContact O-N 3.01Å
38A34.2Very low42.9Very low111 Ų111116 Ų11692%0.91767%0.667SS**  trans-73.386.2167.400000108.4N36N36-A38 PolarHBondContact O-N 2.91Å
39D34.4Very low44.4Very low144 Ų144110.7 Ų110.777%0.7764%0.64SS**  trans-107.5134.8176.4-163.913.2000111.6G37 S41G37-D39 VanDerWaalsContact C-N 3.26Å; G37-D39 PolarHBondContact O-N 3.01Å; D39-S41 PolarHBondContact O-N 3.28Å
40D34.9Very low46.7Very low138 Ų138107.1 Ų107.174%0.73863%0.625SS**  trans-73.282.9-159.7-165.613000111.9V42D40-V42 PolarHBondContact O-N 2.86Å
41S39.9Very low49.2Very low100 Ų100103.9 Ų103.970%0.69959%0.594SS**  trans-91.870.9178.446.50000112.9D39 T43D39-S41 PolarHBondContact O-N 3.28Å; S41-T43 PolarHBondContact O-N 2.99Å
42V42.3Very low51.7Low130 Ų13098 Ų9879%0.78856%0.56SS**  trans-64.978147.1-89.80000108.8D40 D44D40-V42 PolarHBondContact O-N 2.86Å; V42-D44 PolarHBondContact O-N 3.18Å; V42-D44 VanDerWaalsContact O-N 3.15Å
43T40.8Very low54.1Low92 Ų9289 Ų8956%0.56452%0.518SS*.  trans-56117.9171.941.60000109.2S41 E45S41-T43 PolarHBondContact O-N 2.99Å; T43-E45 PolarHBondContact O-N 3.08Å; T43-E45 VanDerWaalsContact O-N 3.16Å
44D47.8Very low56.8Low33 Ų3383.1 Ų83.118%0.17649%0.493CS..  trans-61.4117.9174.6-166.9-20.5000107.6V42 N46 D47V42-D44 PolarHBondContact O-N 3.18Å; V42-D44 VanDerWaalsContact O-N 3.15Å; D44-N46 PolarHBondContact O-N 2.71Å; D44-N46 PolarHBondContact OD1-N 2.7Å; D44-N46 PolarHBondContact OD1-ND2 3.38Å; D44-D47 PolarHBondContact O-N 2.84Å
45E53.4Low59.3Low101 Ų10177.6 Ų77.647%0.47246%0.457SS..Hα-helixtrans-59.3-10.7-178.8-66.5-173.5122.800112.4T43 K189T43-E45 PolarHBondContact O-N 3.08Å; T43-E45 VanDerWaalsContact O-N 3.16Å; E45-K189 IonicContact OE2-NZ 3.01Å; E45-K189 PolarHBondContact OE2-NZ 2.88Å
46N53.7Low62Low28 Ų2872.2 Ų72.215%0.1543%0.426CS..Hα-helixtrans-68.4-34.2168.9-72.4-92.3000113.8D44 D48 D49 K134 E185D44-N46 PolarHBondContact O-N 2.71Å; D44-N46 PolarHBondContact OD1-N 2.7Å; D44-N46 PolarHBondContact OD1-ND2 3.38Å; N46-D48 PolarHBondContact O-N 3.3Å; N46-D49 PolarHBondContact O-N 3.39Å; N46-K134 WeakPolarHBondContact OD1-CE 3.29Å; N46-E185 WeakPolarHBondContact ND2-CB 3.18Å
47D57.4Low65Low95 Ų9565.5 Ų65.551%0.50840%0.397SS..Hα-helixtrans-69.6-25.5-176.8-71.1-16.7000111.8D44 R51D44-D47 PolarHBondContact O-N 2.84Å; D47-R51 WeakPolarHBondContact O-CG 3.43Å; D47-R51 PolarHBondContact O-N 3Å
48D66.2Low68Low53 Ų5362.4 Ų62.428%0.28337%0.365SS..Hα-helixtrans-67-35.8173.6-80.4-6.1000112.5N46 S50 R51 K52N46-D48 PolarHBondContact O-N 3.3Å; D48-S50 VanDerWaalsContact C-N 3.34Å; D48-S50 PolarHBondContact O-N 3.12Å; D48-R51 CarbonylContact O-C 3.45Å; D48-R51 PolarHBondContact O-N 2.85Å; D48-R51 VanDerWaalsContact O-N 3.16Å; D48-R51 IonicContact OD1-CZ 3.52Å; D48-R51 IonicContact OD1-NE 3.2Å; D48-R51 IonicContact OD1-NH2 3.32Å; D48-R51 PolarHBondContact OD1-NH2 3.18Å; D48-K52 VanDerWaalsContact O-CB 3.23Å; D48-K52 WeakPolarHBondContact O-CB 3.45Å; D48-K52 PolarHBondContact O-N 3.46Å
49D76.6Confident70.9Confident34 Ų3458.4 Ų58.418%0.18233%0.331CS..Hα-helixtrans-69.4-30.2179.9-85.2-19.2000112.2N46 R51 K52 P128N46-D49 PolarHBondContact O-N 3.39Å; D49-R51 VanDerWaalsContact C-N 3.33Å; D49-K52 PolarHBondContact O-N 3.21Å; D49-K52 VanDerWaalsContact OD1-CD 3.29Å; D49-K52 WeakPolarHBondContact OD1-CD 3.46Å; D49-K52 IonicContact OD1-NZ 2.86Å; D49-K52 PolarHBondContact OD1-NZ 3.43Å; D49-P128 HydrophobicContact CB-CB 4.45Å; D49-P128 WeakPolarHBondContact OD2-CA 3.44Å; D49-P128 VanDerWaalsContact OD2-CB 3.24Å; D49-P128 WeakPolarHBondContact OD2-CB 3.43Å
50S85.5Confident73.7Confident52 Ų5261.1 Ų61.136%0.36433%0.33SS..Hα-helixtrans-67.1-32.7170.6-62.90000112.8D48 K52D48-S50 VanDerWaalsContact C-N 3.34Å; D48-S50 PolarHBondContact O-N 3.12Å; S50-K52 VanDerWaalsContact C-N 3.3Å; S50-K52 PolarHBondContact O-N 3.39Å
51R92.2Very high76.5Confident65 Ų6560.9 Ų60.925%0.24533%0.325CS..THydrogen-bonded Turntrans-86.23.9179.3-64.7-171.5-69.9-173.4-3.3114.1D47 D48 D49 T98 L99 E100 E102 V105D47-R51 WeakPolarHBondContact O-CG 3.43Å; D47-R51 PolarHBondContact O-N 3Å; D48-R51 CarbonylContact O-C 3.45Å; D48-R51 PolarHBondContact O-N 2.85Å; D48-R51 VanDerWaalsContact O-N 3.16Å; D48-R51 IonicContact OD1-CZ 3.52Å; D48-R51 IonicContact OD1-NE 3.2Å; D48-R51 IonicContact OD1-NH2 3.32Å; D48-R51 PolarHBondContact OD1-NH2 3.18Å; D49-R51 VanDerWaalsContact C-N 3.33Å; R51-T98 HydrophobicContact CB-CG2 4.15Å; R51-L99 WeakPolarHBondContact CB-O 3.5Å; R51-L99 PolarHBondContact O-N 3.36Å; R51-E100 VanDerWaalsContact CD-O 3.25Å; R51-E100 WeakPolarHBondContact CD-O 3.42Å; R51-E100 PolarHBondContact NH1-O 2.79Å; R51-E102 HydrophobicContact CG-CB 4.45Å; R51-V105 VanDerWaalsContact C-CG2 3.47Å; R51-V105 WeakPolarHBondContact O-CG2 3.42Å
52K93.7Very high79.1Confident34 Ų3456.2 Ų56.215%0.14829%0.292CS..EExtended strand (participates in β ladder)trans-109.4133.7-169.4-169.3-178.9-164.4164.80112.2D48 D49 S50 F96 V97 A126D48-K52 VanDerWaalsContact O-CB 3.23Å; D48-K52 WeakPolarHBondContact O-CB 3.45Å; D48-K52 PolarHBondContact O-N 3.46Å; D49-K52 PolarHBondContact O-N 3.21Å; D49-K52 VanDerWaalsContact OD1-CD 3.29Å; D49-K52 WeakPolarHBondContact OD1-CD 3.46Å; D49-K52 IonicContact OD1-NZ 2.86Å; D49-K52 PolarHBondContact OD1-NZ 3.43Å; S50-K52 VanDerWaalsContact C-N 3.3Å; S50-K52 PolarHBondContact O-N 3.39Å; K52-F96 HydrophobicContact CG-CD1 4.42Å; K52-V97 WeakPolarHBondContact CA-O 3.48Å; K52-A126 HydrophobicContact CB-CB 3.89Å; K52-A126 HydrophobicContact CD-CB 4.03Å; K52-A126 HydrophobicContact CG-CB 3.73Å; K52-A126 WeakPolarHBondContact O-CB 3.29Å; K52-A126 PolarHBondContact O-N 3.08Å
53L95Very high81.5Confident0 Ų054.9 Ų54.90%028%0.281CS..EExtended strand (participates in β ladder)trans-103.2134.2173.5-73161.4000109.5V55 F71 F96 V97 L99 V105 V108 L109 P123 K124L53-V55 HydrophobicContact CB-CG2 4.3Å; L53-F71 HydrophobicContact CD1-CD1 4.42Å; L53-F71 HydrophobicContact CD1-CE1 4.38Å; L53-F96 CarbonylContact O-C 3.59Å; L53-F96 VanDerWaalsContact O-CA 3.23Å; L53-F96 WeakPolarHBondContact O-CA 3.38Å; L53-V97 PolarHBondContact N-O 3.09Å; L53-V97 PolarHBondContact O-N 3.15Å; L53-L99 HydrophobicContact CD1-CD1 3.82Å; L53-V105 HydrophobicContact CD2-CG1 3.8Å; L53-V105 HydrophobicContact CG-CG1 4.12Å; L53-V105 HydrophobicContact CG-CG2 4.36Å; L53-V108 HydrophobicContact CD1-CB 4.04Å; L53-V108 HydrophobicContact CD1-CG1 3.85Å; L53-V108 HydrophobicContact CD1-CG2 3.99Å; L53-V108 HydrophobicContact CD2-CG1 4.41Å; L53-L109 HydrophobicContact CD2-CD1 4.39Å; L53-L109 HydrophobicContact CD2-CD2 3.94Å; L53-L109 HydrophobicContact CD2-CG 4.12Å; L53-P123 HydrophobicContact CD2-CB 4.45Å; L53-K124 CarbonylContact C-O 3.53Å; L53-K124 WeakPolarHBondContact CA-O 3.44Å; L53-K124 WeakPolarHBondContact CD2-O 3.42Å
54F95.6Very high84.1Confident63 Ų6354.7 Ų54.728%0.27627%0.273SS..EExtended strand (participates in β ladder)trans-81.2132.7155.5168-90.2000107.7F94 F96 P123 K124F54-F94 HydrophobicContact CD2-CD2 4.26Å; F54-F94 HydrophobicContact CE2-CB 4Å; F54-F94 AromaticContact CE2-CD2 3.53Å; F54-F94 HydrophobicContact CE2-CD2 3.53Å; F54-F94 HydrophobicContact CE2-CE2 4.23Å; F54-F94 AromaticContact CE2-CG 3.97Å; F54-F94 HydrophobicContact CE2-CG 3.97Å; F54-F94 HydrophobicContact CZ-CB 4.01Å; F54-F94 HydrophobicContact CZ-CD2 4.33Å; F54-F94 HydrophobicContact CZ-CG 4.34Å; F54-F96 HydrophobicContact CB-CD1 4.38Å; F54-F96 HydrophobicContact CB-CE1 4.17Å; F54-F96 AromaticContact CD2-CE1 4Å; F54-F96 HydrophobicContact CD2-CE1 4Å; F54-F96 HydrophobicContact CD2-CZ 4.05Å; F54-P123 CarbonylContact O-C 3.58Å; F54-P123 WeakPolarHBondContact O-CA 3.14Å; F54-K124 PolarHBondContact N-O 2.85Å; F54-K124 PolarHBondContact O-N 3.39Å
55V96.7Very high86.4Confident0 Ų059 Ų590%030%0.296CS..EExtended strand (participates in β ladder)trans-122.1105.2178.4-1670000109.1L53 L58 F71 F94 G95 V97 I121L53-V55 HydrophobicContact CB-CG2 4.3Å; V55-L58 HydrophobicContact CB-CD2 4.35Å; V55-L58 HydrophobicContact CG1-CD2 3.61Å; V55-L58 HydrophobicContact CG1-CG 4.49Å; V55-F71 HydrophobicContact CB-CZ 4.5Å; V55-F71 HydrophobicContact CG1-CE2 4.09Å; V55-F71 HydrophobicContact CG1-CZ 3.9Å; V55-F71 HydrophobicContact CG2-CE2 3.78Å; V55-F71 HydrophobicContact CG2-CZ 3.71Å; V55-F94 VanDerWaalsContact O-CA 3.24Å; V55-F94 WeakPolarHBondContact O-CA 3.41Å; V55-F94 WeakPolarHBondContact O-CB 3.42Å; V55-G95 PolarHBondContact N-O 2.91Å; V55-G95 PolarHBondContact O-N 2.83Å; V55-V97 HydrophobicContact CG2-CB 4.43Å; V55-V97 HydrophobicContact CG2-CG2 3.94Å; V55-I121 HydrophobicContact CG1-CB 4.24Å; V55-I121 HydrophobicContact CG1-CD1 3.9Å; V55-I121 HydrophobicContact CG1-CG1 4.42Å
56G96.3Very high88.4Confident7 Ų756 Ų567%0.07228%0.284CS..EExtended strand (participates in β ladder)trans-89.6163176.100000112.9I121 D122G56-I121 WeakPolarHBondContact O-CA 3.31Å; G56-D122 PolarHBondContact N-O 3.33Å; G56-D122 PolarHBondContact O-N 3.48Å
57G95.6Very high90.4Very high31 Ų3154.7 Ų54.732%0.3228%0.277SS..SBendtrans79.813.4171.200000115.3G93 K119G57-G93 PolarHBondContact N-O 3.11Å; G57-G93 VanDerWaalsContact N-O 3.09Å; G57-K119 WeakPolarHBondContact O-CD 3.4Å; G57-K119 WeakPolarHBondContact O-CE 3.42Å; G57-K119 PolarHBondContact O-NZ 2.81Å
58L96.4Very high92.2Very high0 Ų055.1 Ų55.10%027%0.274CS..  trans-59153179.6-55.6-174.2000112.1V55 T62 L67 I82 G93 L116 K119 I121V55-L58 HydrophobicContact CB-CD2 4.35Å; V55-L58 HydrophobicContact CG1-CD2 3.61Å; V55-L58 HydrophobicContact CG1-CG 4.49Å; L58-T62 HydrophobicContact CB-CG2 4.42Å; L58-T62 HydrophobicContact CD1-CG2 4.41Å; L58-T62 HydrophobicContact CD2-CG2 4.43Å; L58-L67 HydrophobicContact CD1-CD1 4.04Å; L58-L67 HydrophobicContact CD1-CD2 4.04Å; L58-L67 HydrophobicContact CD2-CD2 3.68Å; L58-I82 HydrophobicContact CD1-CD1 4.38Å; L58-I82 HydrophobicContact CD1-CG1 4.39Å; L58-G93 PolarHBondContact N-O 2.97Å; L58-L116 HydrophobicContact CD2-CD2 4.47Å; L58-K119 PolarHBondContact O-NZ 3.12Å; L58-I121 HydrophobicContact CD2-CB 4.38Å; L58-I121 HydrophobicContact CD2-CG2 3.83Å
59S94.9Very high93.6Very high27 Ų2759.9 Ų59.919%0.18929%0.294CS..  trans-69.2153.4166.5-169.90000109.4E61 T62S59-E61 PolarHBondContact O-N 3.34Å; S59-T62 WeakPolarHBondContact CB-OG1 3.3Å; S59-T62 PolarHBondContact N-OG1 2.9Å; S59-T62 VanDerWaalsContact N-OG1 3.15Å; S59-T62 WeakPolarHBondContact O-CB 3.26Å; S59-T62 PolarHBondContact O-N 2.96Å; S59-T62 VanDerWaalsContact O-N 3.09Å; S59-T62 PolarHBondContact O-OG1 3.25Å
60W93.6Very high94.6Very high200 Ų20059.1 Ų59.176%0.75829%0.289SS*.THydrogen-bonded Turntrans-67.3-23.2173.8-62.7-21.7000112.1S91W60-S91 VanDerWaalsContact CD1-O 3.26Å; W60-S91 WeakPolarHBondContact O-CB 3.14Å
61E92.6Very high95.1Very high133 Ų13356.6 Ų56.662%0.62127%0.272SS*.THydrogen-bonded Turntrans-87.52172.5-53.5173.7-17500113.9S59 N63 K117S59-E61 PolarHBondContact O-N 3.34Å; E61-N63 PolarHBondContact O-N 2.65Å; E61-K117 PolarHBondContact O-NZ 3.23Å; E61-K117 IonicContact OE2-NZ 3.61Å
62T94.3Very high95.2Very high2 Ų256.2 Ų56.21%0.01228%0.279CS..  trans-74.4125.9176.9-65.10000108.7L58 S59 D66 L67 I82 L116L58-T62 HydrophobicContact CB-CG2 4.42Å; L58-T62 HydrophobicContact CD1-CG2 4.41Å; L58-T62 HydrophobicContact CD2-CG2 4.43Å; S59-T62 WeakPolarHBondContact CB-OG1 3.3Å; S59-T62 PolarHBondContact N-OG1 2.9Å; S59-T62 VanDerWaalsContact N-OG1 3.15Å; S59-T62 WeakPolarHBondContact O-CB 3.26Å; S59-T62 PolarHBondContact O-N 2.96Å; S59-T62 VanDerWaalsContact O-N 3.09Å; S59-T62 PolarHBondContact O-OG1 3.25Å; T62-D66 WeakPolarHBondContact CA-OD2 3.39Å; T62-D66 HydrophobicContact CG2-CB 4.09Å; T62-L67 HydrophobicContact CG2-CD2 4.03Å; T62-L67 HydrophobicContact CG2-CG 4.05Å; T62-I82 HydrophobicContact CG2-CD1 4.21Å; T62-I82 WeakPolarHBondContact O-CD1 3.46Å; T62-L116 HydrophobicContact CG2-CD2 3.73Å
63N94.5Very high95.3Very high103 Ų10362.8 Ų62.855%0.55130%0.303SS*.  trans-104.5167.8177.1-70-38.6000111.8E61 N65 D66 L67 I82E61-N63 PolarHBondContact O-N 2.65Å; N63-N65 VanDerWaalsContact C-N 3.27Å; N63-N65 PolarHBondContact O-N 3.42Å; N63-D66 PolarHBondContact N-OD2 2.83Å; N63-D66 WeakPolarHBondContact O-CB 3.44Å; N63-D66 PolarHBondContact O-N 3.1Å; N63-D66 VanDerWaalsContact O-N 3.12Å; N63-L67 PolarHBondContact O-N 3.5Å; N63-I82 VanDerWaalsContact C-CD1 3.41Å
64E94.8Very high95.2Very high87 Ų8765.2 Ų65.241%0.40731%0.312SS..Hα-helixtrans-59.3-35.8178.6-77.8176.7-17200113L67 K68 C80 I82E64-L67 PolarHBondContact O-N 2.97Å; E64-K68 WeakPolarHBondContact O-CB 3.5Å; E64-K68 PolarHBondContact O-N 3.15Å; E64-C80 HydrophobicContact CB-CB 4.46Å; E64-C80 HydrophobicContact CG-CB 4.43Å; E64-I82 HydrophobicContact CG-CD1 4.36Å; E64-I82 HydrophobicContact CG-CG1 4.02Å; E64-I82 PolarHBondContact OE1-N 3.44Å
65N95.7Very high95.2Very high123 Ų12363 Ų6366%0.65831%0.307SS*.Hα-helixtrans-62.4-41.9174.1-69.7-19.7000112.5N63 L67 K68 E69N63-N65 VanDerWaalsContact C-N 3.27Å; N63-N65 PolarHBondContact O-N 3.42Å; N65-L67 VanDerWaalsContact C-N 3.3Å; N65-L67 PolarHBondContact O-N 3.29Å; N65-K68 PolarHBondContact O-N 3.28Å; N65-K68 VanDerWaalsContact O-N 3.17Å; N65-E69 WeakPolarHBondContact O-CB 3.18Å; N65-E69 PolarHBondContact O-N 3.01Å
66D95.5Very high95.1Very high40 Ų4069 Ų6921%0.21433%0.333CS..Hα-helixtrans-61.2-41.4178.6-55.1-28.2000110.7T62 N63 Y70 L116 K117T62-D66 WeakPolarHBondContact CA-OD2 3.39Å; T62-D66 HydrophobicContact CG2-CB 4.09Å; N63-D66 PolarHBondContact N-OD2 2.83Å; N63-D66 WeakPolarHBondContact O-CB 3.44Å; N63-D66 PolarHBondContact O-N 3.1Å; N63-D66 VanDerWaalsContact O-N 3.12Å; D66-Y70 WeakPolarHBondContact O-CB 3.3Å; D66-Y70 PolarHBondContact O-N 2.85Å; D66-L116 HydrophobicContact CB-CD1 4.33Å; D66-K117 WeakPolarHBondContact OD2-CD 3.01Å; D66-K117 IonicContact OD2-NZ 2.67Å
67L95.6Very high95.1Very high0 Ų069 Ų690%033%0.332CS..Hα-helixtrans-66-45.9174.7-64.5175.9000111L58 T62 N63 E64 N65 E69 Y70 F71 I82 V97 L116L58-L67 HydrophobicContact CD1-CD1 4.04Å; L58-L67 HydrophobicContact CD1-CD2 4.04Å; L58-L67 HydrophobicContact CD2-CD2 3.68Å; T62-L67 HydrophobicContact CG2-CD2 4.03Å; T62-L67 HydrophobicContact CG2-CG 4.05Å; N63-L67 PolarHBondContact O-N 3.5Å; E64-L67 PolarHBondContact O-N 2.97Å; N65-L67 VanDerWaalsContact C-N 3.3Å; N65-L67 PolarHBondContact O-N 3.29Å; L67-E69 PolarHBondContact O-N 2.95Å; L67-Y70 PolarHBondContact O-N 2.96Å; L67-F71 HydrophobicContact CB-CD2 4.42Å; L67-F71 HydrophobicContact CD2-CE2 4.05Å; L67-F71 WeakPolarHBondContact O-CB 3.18Å; L67-F71 VanDerWaalsContact O-CD2 3.28Å; L67-F71 WeakPolarHBondContact O-CD2 3.46Å; L67-F71 PolarHBondContact O-N 2.82Å; L67-I82 HydrophobicContact CD1-CD1 3.69Å; L67-I82 HydrophobicContact CD1-CG1 3.55Å; L67-I82 HydrophobicContact CG-CD1 4.34Å; L67-V97 HydrophobicContact CB-CG2 4.18Å; L67-V97 HydrophobicContact CD1-CG2 4.24Å; L67-L116 HydrophobicContact CD2-CD2 3.7Å
68K95.9Very high95Very high103 Ų10371.2 Ų71.245%0.44834%0.339SS..Hα-helixtrans-58.9-50-179.2-170175.8-175.8176.60111E64 N65 S72 V77E64-K68 WeakPolarHBondContact O-CB 3.5Å; E64-K68 PolarHBondContact O-N 3.15Å; N65-K68 PolarHBondContact O-N 3.28Å; N65-K68 VanDerWaalsContact O-N 3.17Å; K68-S72 VanDerWaalsContact O-CB 3.25Å; K68-S72 WeakPolarHBondContact O-CB 3.29Å; K68-S72 PolarHBondContact O-N 2.84Å; K68-S72 PolarHBondContact O-OG 2.87Å; K68-V77 HydrophobicContact CG-CB 4.07Å; K68-V77 HydrophobicContact CG-CG1 4.23Å
69E95.9Very high94.9Very high153 Ų15375.8 Ų75.872%0.71536%0.36SS*.Hα-helixtrans-62.2-47176.3-172.9179.917000111.4N65 L67 F71 S72N65-E69 WeakPolarHBondContact O-CB 3.18Å; N65-E69 PolarHBondContact O-N 3.01Å; L67-E69 PolarHBondContact O-N 2.95Å; E69-F71 PolarHBondContact O-N 2.97Å; E69-S72 PolarHBondContact O-N 3.33Å
70Y95.9Very high94.8Very high18 Ų1875.5 Ų75.57%0.07136%0.358CS..Hα-helixtrans-57.6-50.7-179.1-176.9-89.8000112.7D66 L67 R73 W74 H114 W115 L116 I121D66-Y70 WeakPolarHBondContact O-CB 3.3Å; D66-Y70 PolarHBondContact O-N 2.85Å; L67-Y70 PolarHBondContact O-N 2.96Å; Y70-R73 PolarHBondContact O-NE 3.12Å; Y70-R73 VanDerWaalsContact O-NE 3.07Å; Y70-W74 HydrophobicContact CD1-CH2 4.45Å; Y70-W74 AromaticContact CD1-CZ3 3.93Å; Y70-W74 HydrophobicContact CD1-CZ3 3.93Å; Y70-W74 AromaticContact CE1-CH2 3.65Å; Y70-W74 HydrophobicContact CE1-CH2 3.65Å; Y70-W74 AromaticContact CE1-CZ3 3.54Å; Y70-W74 HydrophobicContact CE1-CZ3 3.54Å; Y70-W74 AromaticContact CZ-CH2 3.83Å; Y70-W74 WeakPolarHBondContact O-CZ3 3.36Å; Y70-H114 HydrophobicContact CE1-CB 4.31Å; Y70-H114 AromaticContact CE1-ND1 3.68Å; Y70-H114 AromaticContact CZ-ND1 3.77Å; Y70-H114 WeakPolarHBondContact OH-CA 3.3Å; Y70-H114 VanDerWaalsContact OH-CB 3.3Å; Y70-H114 WeakPolarHBondContact OH-CB 3.39Å; Y70-H114 PolarHBondContact OH-ND1 2.89Å; Y70-W115 WeakPolarHBondContact CE2-O 3.13Å; Y70-W115 PolarHBondContact OH-N 3.3Å; Y70-L116 HydrophobicContact CD2-CB 4.23Å; Y70-L116 HydrophobicContact CD2-CD1 3.81Å; Y70-L116 HydrophobicContact CG-CD1 4.1Å; Y70-I121 HydrophobicContact CD1-CD1 4.15Å; Y70-I121 HydrophobicContact CE1-CD1 3.87Å
71F95.9Very high94.8Very high0 Ų068.3 Ų68.30%033%0.334CS..Hα-helixtrans-82.3-18.8-175-73.3-70.8000114L53 V55 L67 E69 R73 W74 V77 V97 L99 V108 I121 P123L53-F71 HydrophobicContact CD1-CD1 4.42Å; L53-F71 HydrophobicContact CD1-CE1 4.38Å; V55-F71 HydrophobicContact CB-CZ 4.5Å; V55-F71 HydrophobicContact CG1-CE2 4.09Å; V55-F71 HydrophobicContact CG1-CZ 3.9Å; V55-F71 HydrophobicContact CG2-CE2 3.78Å; V55-F71 HydrophobicContact CG2-CZ 3.71Å; L67-F71 HydrophobicContact CB-CD2 4.42Å; L67-F71 HydrophobicContact CD2-CE2 4.05Å; L67-F71 WeakPolarHBondContact O-CB 3.18Å; L67-F71 VanDerWaalsContact O-CD2 3.28Å; L67-F71 WeakPolarHBondContact O-CD2 3.46Å; L67-F71 PolarHBondContact O-N 2.82Å; E69-F71 PolarHBondContact O-N 2.97Å; F71-R73 PolarHBondContact O-N 2.93Å; F71-W74 HydrophobicContact CD1-CE3 4.07Å; F71-W74 AromaticContact CD1-CZ3 4Å; F71-W74 HydrophobicContact CD1-CZ3 4Å; F71-W74 HydrophobicContact CE1-CZ3 4.49Å; F71-W74 PolarHBondContact O-N 2.88Å; F71-V77 HydrophobicContact CB-CG2 3.84Å; F71-V97 HydrophobicContact CB-CG1 4.14Å; F71-V97 HydrophobicContact CD2-CB 4.34Å; F71-V97 HydrophobicContact CD2-CG1 4.08Å; F71-V97 HydrophobicContact CD2-CG2 3.83Å; F71-V97 HydrophobicContact CE2-CG2 4Å; F71-V97 HydrophobicContact CG-CG1 4.19Å; F71-L99 HydrophobicContact CB-CD2 4.48Å; F71-V108 HydrophobicContact CD1-CG1 4.27Å; F71-V108 HydrophobicContact CD1-CG2 4.01Å; F71-V108 HydrophobicContact CE1-CG1 3.83Å; F71-V108 HydrophobicContact CE1-CG2 4.41Å; F71-I121 HydrophobicContact CE2-CD1 4.35Å; F71-I121 HydrophobicContact CZ-CD1 3.97Å; F71-P123 HydrophobicContact CE1-CB 4.18Å; F71-P123 HydrophobicContact CZ-CB 4.19Å
72S95.1Very high95Very high57 Ų5762.9 Ų62.940%0.39931%0.309SS..THydrogen-bonded Turntrans-57.1-18.6176.3-71.50000113.9K68 E69 W74 G75K68-S72 VanDerWaalsContact O-CB 3.25Å; K68-S72 WeakPolarHBondContact O-CB 3.29Å; K68-S72 PolarHBondContact O-N 2.84Å; K68-S72 PolarHBondContact O-OG 2.87Å; E69-S72 PolarHBondContact O-N 3.33Å; S72-W74 VanDerWaalsContact C-N 3.29Å; S72-W74 PolarHBondContact O-N 3.49Å; S72-G75 WeakPolarHBondContact CA-O 3.45Å; S72-G75 PolarHBondContact O-N 2.78Å
73R94.8Very high95Very high171 Ų17166.5 Ų66.565%0.64533%0.325SS*.THydrogen-bonded Turntrans-63.8-24.4174.4-73.4-177.1-77-164.3-14.9115.3Y70 F71Y70-R73 PolarHBondContact O-NE 3.12Å; Y70-R73 VanDerWaalsContact O-NE 3.07Å; F71-R73 PolarHBondContact O-N 2.93Å
74W94.8Very high95Very high52 Ų5266.6 Ų66.620%0.19732%0.324CS..THydrogen-bonded Turntrans-103.7-14.1178.5-63.8-83.4000113.4Y70 F71 S72 C104 K107 V108 V111 H114Y70-W74 HydrophobicContact CD1-CH2 4.45Å; Y70-W74 AromaticContact CD1-CZ3 3.93Å; Y70-W74 HydrophobicContact CD1-CZ3 3.93Å; Y70-W74 AromaticContact CE1-CH2 3.65Å; Y70-W74 HydrophobicContact CE1-CH2 3.65Å; Y70-W74 AromaticContact CE1-CZ3 3.54Å; Y70-W74 HydrophobicContact CE1-CZ3 3.54Å; Y70-W74 AromaticContact CZ-CH2 3.83Å; Y70-W74 WeakPolarHBondContact O-CZ3 3.36Å; F71-W74 HydrophobicContact CD1-CE3 4.07Å; F71-W74 AromaticContact CD1-CZ3 4Å; F71-W74 HydrophobicContact CD1-CZ3 4Å; F71-W74 HydrophobicContact CE1-CZ3 4.49Å; F71-W74 PolarHBondContact O-N 2.88Å; S72-W74 VanDerWaalsContact C-N 3.29Å; S72-W74 PolarHBondContact O-N 3.49Å; W74-C104 WeakPolarHBondContact O-CB 3.47Å; W74-C104 PolarHBondContact O-SG 2.95Å; W74-K107 HydrophobicContact CB-CB 4.46Å; W74-K107 HydrophobicContact CG-CB 4.49Å; W74-V108 HydrophobicContact CB-CG2 3.73Å; W74-V108 HydrophobicContact CD2-CG2 3.63Å; W74-V108 HydrophobicContact CE3-CG2 3.74Å; W74-V108 HydrophobicContact CG-CG2 3.64Å; W74-V111 HydrophobicContact CZ2-CG2 4.09Å; W74-H114 AromaticContact CH2-CE1 3.61Å; W74-H114 AromaticContact CH2-ND1 3.51Å; W74-H114 AromaticContact CZ2-CE1 3.6Å; W74-H114 AromaticContact CZ2-ND1 3.91Å
75G93.6Very high94.9Very high17 Ų1765 Ų6518%0.17532%0.319CS..SBendtrans162.1164.8178.600000111.8S72 V77S72-G75 WeakPolarHBondContact CA-O 3.45Å; S72-G75 PolarHBondContact O-N 2.78Å; G75-V77 PolarHBondContact O-N 2.95Å
76K95.8Very high94.8Very high125 Ų12569.2 Ų69.254%0.54333%0.325SS..  trans-61.4127.1179.6177.3172.2151.7-1490110.9E100K76-E100 HydrophobicContact CB-CB 4.25Å; K76-E100 WeakPolarHBondContact CB-OE2 3.43Å; K76-E100 WeakPolarHBondContact CD-OE1 3.43Å; K76-E100 WeakPolarHBondContact CE-OE1 3.49Å; K76-E100 IonicContact NZ-OE1 3.9Å; K76-E100 PolarHBondContact NZ-OE1 3.47Å; K76-E100 PolarHBondContact O-N 3.2Å
77V96Very high94.5Very high8 Ų876.3 Ų76.35%0.04836%0.355CS..EExtended strand (participates in β ladder)trans-82.9118.2174.2174.60000108.8K68 F71 G75 Q79 C80 V97 L99K68-V77 HydrophobicContact CG-CB 4.07Å; K68-V77 HydrophobicContact CG-CG1 4.23Å; F71-V77 HydrophobicContact CB-CG2 3.84Å; G75-V77 PolarHBondContact O-N 2.95Å; V77-Q79 WeakPolarHBondContact CG1-O 3.19Å; V77-C80 HydrophobicContact CG1-CB 4.39Å; V77-V97 HydrophobicContact CG1-CG1 3.83Å; V77-V97 HydrophobicContact CG2-CG1 3.99Å; V77-L99 HydrophobicContact CB-CD2 4.48Å; V77-L99 HydrophobicContact CG2-CD2 3.7Å
78T94.5Very high94.4Very high76 Ų7680.5 Ų80.547%0.46638%0.38SS..EExtended strand (participates in β ladder)trans-85.1-36.8178.152.90000111.6T98 E100T78-T98 PolarHBondContact N-O 3.01Å; T78-T98 WeakPolarHBondContact OG1-CB 3.45Å; T78-T98 WeakPolarHBondContact OG1-CG2 3.34Å; T78-T98 PolarHBondContact OG1-O 3.43Å; T78-T98 VanDerWaalsContact OG1-O 3.1Å; T78-E100 HydrophobicContact CG2-CB 4.1Å
79Q92.6Very high94.2Very high97 Ų9777.6 Ų77.645%0.45338%0.38SS..EExtended strand (participates in β ladder)trans-146.5146.3179.3-164.5-179.445.700111V77 I81 V97 T98V77-Q79 WeakPolarHBondContact CG1-O 3.19Å; Q79-I81 HydrophobicContact CG-CD1 4.38Å; Q79-I81 HydrophobicContact CG-CG1 4.17Å; Q79-V97 CarbonylContact O-C 3.57Å; Q79-V97 WeakPolarHBondContact O-CA 3.35Å; Q79-T98 PolarHBondContact N-O 3.17Å; Q79-T98 PolarHBondContact O-N 3.37Å
80C94.3Very high94Very high20 Ų2075.2 Ų75.214%0.13537%0.372CS..EExtended strand (participates in β ladder)trans-138.3138.1170.144.40000108.3E64 V77 F96E64-C80 HydrophobicContact CB-CB 4.46Å; E64-C80 HydrophobicContact CG-CB 4.43Å; V77-C80 HydrophobicContact CG1-CB 4.39Å; C80-F96 CarbonylContact C-O 3.56Å; C80-F96 WeakPolarHBondContact CA-O 3.35Å
81I93.7Very high93.9Very high50 Ų5075 Ų7526%0.25637%0.374SS..EExtended strand (participates in β ladder)trans-141.7118.5-179.3-57.5176000108.5Q79 K83 G95 F96Q79-I81 HydrophobicContact CG-CD1 4.38Å; Q79-I81 HydrophobicContact CG-CG1 4.17Å; I81-K83 HydrophobicContact CG2-CD 4.23Å; I81-G95 CarbonylContact O-C 3.58Å; I81-G95 WeakPolarHBondContact O-CA 3.45Å; I81-F96 PolarHBondContact N-O 3.32Å; I81-F96 PolarHBondContact O-N 3.47Å
82I95.5Very high93.9Very high18 Ų1882.2 Ų82.29%0.09240%0.4CS..EExtended strand (participates in β ladder)trans-92.4135.5170.4-62.1-175.1000109.5L58 T62 N63 E64 L67 L84L58-I82 HydrophobicContact CD1-CD1 4.38Å; L58-I82 HydrophobicContact CD1-CG1 4.39Å; T62-I82 HydrophobicContact CG2-CD1 4.21Å; T62-I82 WeakPolarHBondContact O-CD1 3.46Å; N63-I82 VanDerWaalsContact C-CD1 3.41Å; E64-I82 HydrophobicContact CG-CD1 4.36Å; E64-I82 HydrophobicContact CG-CG1 4.02Å; E64-I82 PolarHBondContact OE1-N 3.44Å; L67-I82 HydrophobicContact CD1-CD1 3.69Å; L67-I82 HydrophobicContact CD1-CG1 3.55Å; L67-I82 HydrophobicContact CG-CD1 4.34Å; I82-L84 HydrophobicContact CG2-CD2 4.23Å; I82-L84 PolarHBondContact O-N 3.5Å
83K94.8Very high93.8Very high79 Ų7980 Ų8034%0.34339%0.387SS..EExtended strand (participates in β ladder)trans-88.1115.2179.5-67.1-53.1-172.9-174.50110.3I81 R92 F94 F96I81-K83 HydrophobicContact CG2-CD 4.23Å; K83-R92 VanDerWaalsContact O-CB 3.24Å; K83-R92 WeakPolarHBondContact O-CB 3.3Å; K83-R92 WeakPolarHBondContact O-CG 3.48Å; K83-R92 PolarHBondContact O-N 2.83Å; K83-F94 HydrophobicContact CB-CD2 4.19Å; K83-F94 HydrophobicContact CB-CE1 4.22Å; K83-F94 HydrophobicContact CB-CE2 3.7Å; K83-F94 HydrophobicContact CB-CZ 3.71Å; K83-F94 HydrophobicContact CG-CD2 4.13Å; K83-F94 HydrophobicContact CG-CE2 3.52Å; K83-F94 HydrophobicContact CG-CZ 3.96Å; K83-F94 PolarHBondContact N-O 3.28Å; K83-F96 HydrophobicContact CG-CD2 4.34Å; K83-F96 HydrophobicContact CG-CE2 4.09Å
84L95Very high93.9Very high104 Ų10474 Ų7455%0.54537%0.365SS..EExtended strand (participates in β ladder)trans-91.2156175.3-51.3-176.8000111I82 N90 R92I82-L84 HydrophobicContact CG2-CD2 4.23Å; I82-L84 PolarHBondContact O-N 3.5Å; L84-N90 CarbonylContact C-O 3.54Å; L84-N90 WeakPolarHBondContact CA-O 3.41Å; L84-R92 WeakPolarHBondContact O-CD 3.45Å
85D92.5Very high93.9Very high54 Ų5471.5 Ų71.529%0.28936%0.356SS..  trans-77.3135.4170.2176.5-96000110.3F87 T88 G89 N90 R92D85-F87 VanDerWaalsContact C-N 3.31Å; D85-F87 PolarHBondContact O-N 2.97Å; D85-F87 PolarHBondContact OD1-N 3.29Å; D85-T88 WeakPolarHBondContact CB-OG1 3.21Å; D85-T88 PolarHBondContact OD1-N 3.42Å; D85-T88 PolarHBondContact OD1-OG1 2.68Å; D85-G89 VanDerWaalsContact O-CA 3.3Å; D85-G89 WeakPolarHBondContact O-CA 3.42Å; D85-G89 PolarHBondContact O-N 3.11Å; D85-N90 PolarHBondContact N-O 2.87Å; D85-R92 HydrophobicContact CB-CG 4.14Å
86R92.3Very high94Very high211 Ų21172.1 Ų72.180%0.79635%0.354SS*.THydrogen-bonded Turntrans-69.6-26.4-171.5178.8175.2-77.6-98.82.1113.3
87F90.9Very high94Very high190 Ų19066.2 Ų66.283%0.83333%0.328SS*.THydrogen-bonded Turntrans-98.2-36-173.3-57.5-73.7000112.3D85D85-F87 VanDerWaalsContact C-N 3.31Å; D85-F87 PolarHBondContact O-N 2.97Å; D85-F87 PolarHBondContact OD1-N 3.29Å
88T93.2Very high94Very high87 Ų8766 Ų6653%0.53433%0.327SS..THydrogen-bonded Turntrans-101.8-17.7-176.660.20000113.9D85 N90D85-T88 WeakPolarHBondContact CB-OG1 3.21Å; D85-T88 PolarHBondContact OD1-N 3.42Å; D85-T88 PolarHBondContact OD1-OG1 2.68Å; T88-N90 PolarHBondContact O-N 2.79Å; T88-N90 PolarHBondContact OG1-N 3.02Å
89G91.4Very high94Very high43 Ų4362.3 Ų62.344%0.44331%0.305SS..  trans72.7-5.9-172.200000114.5D85D85-G89 VanDerWaalsContact O-CA 3.3Å; D85-G89 WeakPolarHBondContact O-CA 3.42Å; D85-G89 PolarHBondContact O-N 3.11Å
90N91.6Very high94.1Very high103 Ų10362 Ų6255%0.55130%0.303SS*.  trans-70.3149.3-176.6-70.5-32.5000112.3L84 D85 T88 R92L84-N90 CarbonylContact C-O 3.54Å; L84-N90 WeakPolarHBondContact CA-O 3.41Å; D85-N90 PolarHBondContact N-O 2.87Å; T88-N90 PolarHBondContact O-N 2.79Å; T88-N90 PolarHBondContact OG1-N 3.02Å; N90-R92 PolarHBondContact O-N 2.82Å
91S94.3Very high94Very high14 Ų1463 Ų6310%0.09831%0.31CS..EExtended strand (participates in β ladder)trans-61.6130.5173.3171.70000111.5W60 G93W60-S91 VanDerWaalsContact CD1-O 3.26Å; W60-S91 WeakPolarHBondContact O-CB 3.14Å; S91-G93 PolarHBondContact O-N 2.76Å; S91-G93 PolarHBondContact OG-N 2.9Å
92R94.4Very high94Very high150 Ų15064.2 Ų64.257%0.56632%0.315SS*.EExtended strand (participates in β ladder)trans-77.26.3175.7-60.9176.563.1-173.7-2.7113K83 L84 D85 N90 F94K83-R92 VanDerWaalsContact O-CB 3.24Å; K83-R92 WeakPolarHBondContact O-CB 3.3Å; K83-R92 WeakPolarHBondContact O-CG 3.48Å; K83-R92 PolarHBondContact O-N 2.83Å; L84-R92 WeakPolarHBondContact O-CD 3.45Å; D85-R92 HydrophobicContact CB-CG 4.14Å; N90-R92 PolarHBondContact O-N 2.82Å; R92-F94 VanDerWaalsContact C-N 3.3Å; R92-F94 HydrophobicContact CB-CD1 3.8Å; R92-F94 HydrophobicContact CB-CE1 3.58Å; R92-F94 HydrophobicContact CG-CE1 4.49Å; R92-F94 PolarHBondContact O-N 2.89Å
93G95Very high93.9Very high11 Ų1168.4 Ų68.411%0.11334%0.338CS..EExtended strand (participates in β ladder)trans72.918.2-18000000114.5G57 L58 S91G57-G93 PolarHBondContact N-O 3.11Å; G57-G93 VanDerWaalsContact N-O 3.09Å; L58-G93 PolarHBondContact N-O 2.97Å; S91-G93 PolarHBondContact O-N 2.76Å; S91-G93 PolarHBondContact OG-N 2.9Å
94F95.9Very high93.9Very high44 Ų4465.4 Ų65.419%0.19333%0.326CS..EExtended strand (participates in β ladder)trans-147.8158.2172.874.4-87.4000112.2F54 V55 K83 R92 F96F54-F94 HydrophobicContact CD2-CD2 4.26Å; F54-F94 HydrophobicContact CE2-CB 4Å; F54-F94 AromaticContact CE2-CD2 3.53Å; F54-F94 HydrophobicContact CE2-CD2 3.53Å; F54-F94 HydrophobicContact CE2-CE2 4.23Å; F54-F94 AromaticContact CE2-CG 3.97Å; F54-F94 HydrophobicContact CE2-CG 3.97Å; F54-F94 HydrophobicContact CZ-CB 4.01Å; F54-F94 HydrophobicContact CZ-CD2 4.33Å; F54-F94 HydrophobicContact CZ-CG 4.34Å; V55-F94 VanDerWaalsContact O-CA 3.24Å; V55-F94 WeakPolarHBondContact O-CA 3.41Å; V55-F94 WeakPolarHBondContact O-CB 3.42Å; K83-F94 HydrophobicContact CB-CD2 4.19Å; K83-F94 HydrophobicContact CB-CE1 4.22Å; K83-F94 HydrophobicContact CB-CE2 3.7Å; K83-F94 HydrophobicContact CB-CZ 3.71Å; K83-F94 HydrophobicContact CG-CD2 4.13Å; K83-F94 HydrophobicContact CG-CE2 3.52Å; K83-F94 HydrophobicContact CG-CZ 3.96Å; K83-F94 PolarHBondContact N-O 3.28Å; R92-F94 VanDerWaalsContact C-N 3.3Å; R92-F94 HydrophobicContact CB-CD1 3.8Å; R92-F94 HydrophobicContact CB-CE1 3.58Å; R92-F94 HydrophobicContact CG-CE1 4.49Å; R92-F94 PolarHBondContact O-N 2.89Å; F94-F96 HydrophobicContact CD2-CE2 4.39Å; F94-F96 HydrophobicContact CE2-CE2 4.13Å
95G95.5Very high93.9Very high0 Ų060.4 Ų60.40%030%0.3CS..EExtended strand (participates in β ladder)trans-152.1-174.9178.200000112.6V55 I81V55-G95 PolarHBondContact N-O 2.91Å; V55-G95 PolarHBondContact O-N 2.83Å; I81-G95 CarbonylContact O-C 3.58Å; I81-G95 WeakPolarHBondContact O-CA 3.45Å
96F95.9Very high94Very high31 Ų3160.6 Ų60.614%0.13631%0.305CS..EExtended strand (participates in β ladder)trans-127.4143.4174.3-63.1-91.3000109.9K52 L53 F54 C80 I81 K83 F94 A126K52-F96 HydrophobicContact CG-CD1 4.42Å; L53-F96 CarbonylContact O-C 3.59Å; L53-F96 VanDerWaalsContact O-CA 3.23Å; L53-F96 WeakPolarHBondContact O-CA 3.38Å; F54-F96 HydrophobicContact CB-CD1 4.38Å; F54-F96 HydrophobicContact CB-CE1 4.17Å; F54-F96 AromaticContact CD2-CE1 4Å; F54-F96 HydrophobicContact CD2-CE1 4Å; F54-F96 HydrophobicContact CD2-CZ 4.05Å; C80-F96 CarbonylContact C-O 3.56Å; C80-F96 WeakPolarHBondContact CA-O 3.35Å; I81-F96 PolarHBondContact N-O 3.32Å; I81-F96 PolarHBondContact O-N 3.47Å; K83-F96 HydrophobicContact CG-CD2 4.34Å; K83-F96 HydrophobicContact CG-CE2 4.09Å; F94-F96 HydrophobicContact CD2-CE2 4.39Å; F94-F96 HydrophobicContact CE2-CE2 4.13Å; F96-A126 HydrophobicContact CD1-CB 4.23Å; F96-A126 HydrophobicContact CE1-CB 4.37Å
97V95.9Very high94.1Very high0 Ų056 Ų560%029%0.291CS..EExtended strand (participates in β ladder)trans-133.1121177.6179.50000108K52 L53 V55 L67 F71 V77 Q79 L99K52-V97 WeakPolarHBondContact CA-O 3.48Å; L53-V97 PolarHBondContact N-O 3.09Å; L53-V97 PolarHBondContact O-N 3.15Å; V55-V97 HydrophobicContact CG2-CB 4.43Å; V55-V97 HydrophobicContact CG2-CG2 3.94Å; L67-V97 HydrophobicContact CB-CG2 4.18Å; L67-V97 HydrophobicContact CD1-CG2 4.24Å; F71-V97 HydrophobicContact CB-CG1 4.14Å; F71-V97 HydrophobicContact CD2-CB 4.34Å; F71-V97 HydrophobicContact CD2-CG1 4.08Å; F71-V97 HydrophobicContact CD2-CG2 3.83Å; F71-V97 HydrophobicContact CE2-CG2 4Å; F71-V97 HydrophobicContact CG-CG1 4.19Å; V77-V97 HydrophobicContact CG1-CG1 3.83Å; V77-V97 HydrophobicContact CG2-CG1 3.99Å; Q79-V97 CarbonylContact O-C 3.57Å; Q79-V97 WeakPolarHBondContact O-CA 3.35Å; V97-L99 HydrophobicContact CG1-CD2 4.33Å
98T94.8Very high94.4Very high3 Ų346.9 Ų46.92%0.01825%0.251CS..EExtended strand (participates in β ladder)trans-99.3129.7174.5-46.20000108.6R51 T78 Q79R51-T98 HydrophobicContact CB-CG2 4.15Å; T78-T98 PolarHBondContact N-O 3.01Å; T78-T98 WeakPolarHBondContact OG1-CB 3.45Å; T78-T98 WeakPolarHBondContact OG1-CG2 3.34Å; T78-T98 PolarHBondContact OG1-O 3.43Å; T78-T98 VanDerWaalsContact OG1-O 3.1Å; Q79-T98 PolarHBondContact N-O 3.17Å; Q79-T98 PolarHBondContact O-N 3.37Å
99L95.3Very high94.5Very high0 Ų045.8 Ų45.80%024%0.242CC..EExtended strand (participates in β ladder)trans-102163.7177.6-63172.6000110.3R51 L53 F71 V77 V97 C104 V105 V108R51-L99 WeakPolarHBondContact CB-O 3.5Å; R51-L99 PolarHBondContact O-N 3.36Å; L53-L99 HydrophobicContact CD1-CD1 3.82Å; F71-L99 HydrophobicContact CB-CD2 4.48Å; V77-L99 HydrophobicContact CB-CD2 4.48Å; V77-L99 HydrophobicContact CG2-CD2 3.7Å; V97-L99 HydrophobicContact CG1-CD2 4.33Å; L99-C104 HydrophobicContact CB-CB 4.02Å; L99-C104 HydrophobicContact CD1-CB 3.69Å; L99-C104 HydrophobicContact CG-CB 4.36Å; L99-V105 HydrophobicContact CB-CG2 4.43Å; L99-V105 HydrophobicContact CD1-CG2 3.98Å; L99-V108 HydrophobicContact CD1-CG2 4.18Å
100E93.8Very high94.6Very high89 Ų8948 Ų4842%0.41625%0.251SS..SBendtrans-69.2-31.6-179.4-170163.1-12000113.3R51 K76 T78R51-E100 VanDerWaalsContact CD-O 3.25Å; R51-E100 WeakPolarHBondContact CD-O 3.42Å; R51-E100 PolarHBondContact NH1-O 2.79Å; K76-E100 HydrophobicContact CB-CB 4.25Å; K76-E100 WeakPolarHBondContact CB-OE2 3.43Å; K76-E100 WeakPolarHBondContact CD-OE1 3.43Å; K76-E100 WeakPolarHBondContact CE-OE1 3.49Å; K76-E100 IonicContact NZ-OE1 3.9Å; K76-E100 PolarHBondContact NZ-OE1 3.47Å; K76-E100 PolarHBondContact O-N 3.2Å; T78-E100 HydrophobicContact CG2-CB 4.1Å
101S92.6Very high94.8Very high42 Ų4245.5 Ų45.529%0.29424%0.239SC..  trans-133.9150.6178172.60000112.3D103 C104S101-D103 PolarHBondContact O-N 3Å; S101-D103 PolarHBondContact OG-N 3.47Å; S101-D103 VanDerWaalsContact OG-N 3.14Å; S101-D103 PolarHBondContact OG-OD2 3.49Å; S101-C104 WeakPolarHBondContact O-CB 3.1Å; S101-C104 PolarHBondContact O-N 2.82Å
102E93.6Very high94.7Very high75 Ų7550.8 Ų50.835%0.3527%0.273SS..Hα-helixtrans-66.6-24.9172.2-179170.4-167.200112.4R51 C104 V105 S106 K125R51-E102 HydrophobicContact CG-CB 4.45Å; E102-C104 PolarHBondContact O-N 3.2Å; E102-V105 WeakPolarHBondContact O-CB 3.32Å; E102-V105 PolarHBondContact O-N 3.05Å; E102-V105 VanDerWaalsContact O-N 3.08Å; E102-S106 PolarHBondContact O-N 3.2Å; E102-S106 PolarHBondContact O-OG 3.31Å; E102-K125 IonicContact OE1-NZ 3.04Å; E102-K125 PolarHBondContact OE1-NZ 3.3Å
103D94.4Very high94.7Very high107 Ų10748 Ų4857%0.57227%0.266SS*.Hα-helixtrans-59.6-35.9173.1-64.3-45.8000111.3S101 S106 K107S101-D103 PolarHBondContact O-N 3Å; S101-D103 PolarHBondContact OG-N 3.47Å; S101-D103 VanDerWaalsContact OG-N 3.14Å; S101-D103 PolarHBondContact OG-OD2 3.49Å; D103-S106 PolarHBondContact O-N 2.89Å; D103-K107 VanDerWaalsContact O-CG 3.25Å; D103-K107 WeakPolarHBondContact O-CG 3.47Å; D103-K107 PolarHBondContact O-N 2.98Å
104C94.4Very high94.8Very high15 Ų1547.7 Ų47.710%0.10126%0.262CS..Hα-helixtrans-68-38.4177-57.20000111.1W74 L99 S101 E102 K107 V108W74-C104 WeakPolarHBondContact O-CB 3.47Å; W74-C104 PolarHBondContact O-SG 2.95Å; L99-C104 HydrophobicContact CB-CB 4.02Å; L99-C104 HydrophobicContact CD1-CB 3.69Å; L99-C104 HydrophobicContact CG-CB 4.36Å; S101-C104 WeakPolarHBondContact O-CB 3.1Å; S101-C104 PolarHBondContact O-N 2.82Å; E102-C104 PolarHBondContact O-N 3.2Å; C104-K107 PolarHBondContact O-N 3.21Å; C104-V108 WeakPolarHBondContact O-CG2 3.5Å; C104-V108 PolarHBondContact O-N 3.4Å
105V94.7Very high94.8Very high0 Ų052.2 Ų52.20%028%0.278CS..Hα-helixtrans-60.3-46.7172.2176.20000110.3R51 L53 L99 E102 K107 V108 L109 K125R51-V105 VanDerWaalsContact C-CG2 3.47Å; R51-V105 WeakPolarHBondContact O-CG2 3.42Å; L53-V105 HydrophobicContact CD2-CG1 3.8Å; L53-V105 HydrophobicContact CG-CG1 4.12Å; L53-V105 HydrophobicContact CG-CG2 4.36Å; L99-V105 HydrophobicContact CB-CG2 4.43Å; L99-V105 HydrophobicContact CD1-CG2 3.98Å; E102-V105 WeakPolarHBondContact O-CB 3.32Å; E102-V105 PolarHBondContact O-N 3.05Å; E102-V105 VanDerWaalsContact O-N 3.08Å; V105-K107 PolarHBondContact O-N 2.95Å; V105-V108 PolarHBondContact O-N 2.84Å; V105-L109 HydrophobicContact CG1-CD1 3.89Å; V105-L109 VanDerWaalsContact O-CG 3.3Å; V105-L109 WeakPolarHBondContact O-CG 3.22Å; V105-L109 PolarHBondContact O-N 2.74Å; V105-K125 HydrophobicContact CG1-CG 4.11Å
106S94.4Very high94.7Very high57 Ų5753 Ų5340%0.39928%0.282SS..Hα-helixtrans-64.5-38.1179.4-58.80000112.4E102 D103 L109 S110E102-S106 PolarHBondContact O-N 3.2Å; E102-S106 PolarHBondContact O-OG 3.31Å; D103-S106 PolarHBondContact O-N 2.89Å; S106-L109 PolarHBondContact O-N 3.08Å; S106-S110 PolarHBondContact O-N 2.86Å; S106-S110 VanDerWaalsContact O-N 3.08Å
107K95.4Very high94.5Very high114 Ų11455.9 Ų55.950%0.49629%0.294SS..Hα-helixtrans-64.9-41.8173.4-71.2167-174172.10112.7W74 D103 C104 V105 S110W74-K107 HydrophobicContact CB-CB 4.46Å; W74-K107 HydrophobicContact CG-CB 4.49Å; D103-K107 VanDerWaalsContact O-CG 3.25Å; D103-K107 WeakPolarHBondContact O-CG 3.47Å; D103-K107 PolarHBondContact O-N 2.98Å; C104-K107 PolarHBondContact O-N 3.21Å; V105-K107 PolarHBondContact O-N 2.95Å; K107-S110 PolarHBondContact O-N 3.32Å; K107-S110 PolarHBondContact O-OG 2.82Å
108V95.7Very high94.3Very high0 Ų063.7 Ų63.70%034%0.336CS..Hα-helixtrans-56.9-53.6172.8170.40000109.8L53 F71 W74 L99 C104 V105 S110 V111 H114 P123L53-V108 HydrophobicContact CD1-CB 4.04Å; L53-V108 HydrophobicContact CD1-CG1 3.85Å; L53-V108 HydrophobicContact CD1-CG2 3.99Å; L53-V108 HydrophobicContact CD2-CG1 4.41Å; F71-V108 HydrophobicContact CD1-CG1 4.27Å; F71-V108 HydrophobicContact CD1-CG2 4.01Å; F71-V108 HydrophobicContact CE1-CG1 3.83Å; F71-V108 HydrophobicContact CE1-CG2 4.41Å; W74-V108 HydrophobicContact CB-CG2 3.73Å; W74-V108 HydrophobicContact CD2-CG2 3.63Å; W74-V108 HydrophobicContact CE3-CG2 3.74Å; W74-V108 HydrophobicContact CG-CG2 3.64Å; L99-V108 HydrophobicContact CD1-CG2 4.18Å; C104-V108 WeakPolarHBondContact O-CG2 3.5Å; C104-V108 PolarHBondContact O-N 3.4Å; V105-V108 PolarHBondContact O-N 2.84Å; V108-S110 PolarHBondContact O-N 2.75Å; V108-S110 VanDerWaalsContact O-N 3.14Å; V108-V111 WeakPolarHBondContact O-CB 3.47Å; V108-V111 PolarHBondContact O-N 3.44Å; V108-H114 PolarHBondContact O-NE2 2.7Å; V108-H114 VanDerWaalsContact O-NE2 3.1Å; V108-P123 HydrophobicContact CG1-CB 3.93Å; V108-P123 HydrophobicContact CG1-CG 3.93Å
109L94.9Very high94.2Very high64 Ų6467.5 Ų67.534%0.33535%0.352SS..Hα-helixtrans-67.8-14.5-175.6-62.1171.3000114.4L53 V105 S106 V111 P123 K125L53-L109 HydrophobicContact CD2-CD1 4.39Å; L53-L109 HydrophobicContact CD2-CD2 3.94Å; L53-L109 HydrophobicContact CD2-CG 4.12Å; V105-L109 HydrophobicContact CG1-CD1 3.89Å; V105-L109 VanDerWaalsContact O-CG 3.3Å; V105-L109 WeakPolarHBondContact O-CG 3.22Å; V105-L109 PolarHBondContact O-N 2.74Å; S106-L109 PolarHBondContact O-N 3.08Å; L109-V111 VanDerWaalsContact C-N 3.27Å; L109-P123 VanDerWaalsContact CD2-O 3.24Å; L109-P123 WeakPolarHBondContact CD2-O 3.09Å; L109-K125 HydrophobicContact CD1-CD 4.43Å; L109-K125 HydrophobicContact CD1-CG 3.44Å; L109-K125 VanDerWaalsContact CD1-CG 3.44Å
110S95.1Very high94.3Very high90 Ų9072.3 Ų72.363%0.62937%0.373SS*.THydrogen-bonded Turntrans-74.2-17.2172.476.40000113.5S106 K107 V108S106-S110 PolarHBondContact O-N 2.86Å; S106-S110 VanDerWaalsContact O-N 3.08Å; K107-S110 PolarHBondContact O-N 3.32Å; K107-S110 PolarHBondContact O-OG 2.82Å; V108-S110 PolarHBondContact O-N 2.75Å; V108-S110 VanDerWaalsContact O-N 3.14Å
111V94.8Very high94.4Very high49 Ų4968.2 Ų68.230%0.29735%0.354SS..SBendtrans-87.6124.3177.9-179.90000109.1W74 V108 L109 E113 H114W74-V111 HydrophobicContact CZ2-CG2 4.09Å; V108-V111 WeakPolarHBondContact O-CB 3.47Å; V108-V111 PolarHBondContact O-N 3.44Å; L109-V111 VanDerWaalsContact C-N 3.27Å; V111-E113 WeakPolarHBondContact CG1-O 3.27Å; V111-E113 PolarHBondContact O-N 3.32Å; V111-H114 PolarHBondContact O-NE2 2.89Å
112P92.6Very high94.5Very high125 Ų12569.6 Ų69.681%0.81236%0.358SS*.SBendtrans-74.8-22.4-172.128.9-36.1000114.1
113E94.7Very high94.7Very high93 Ų9366.6 Ų66.644%0.43535%0.345SS..  trans-139.2135.9-179.8-60.8-152.1145.500112.8V111 W115 K120V111-E113 WeakPolarHBondContact CG1-O 3.27Å; V111-E113 PolarHBondContact O-N 3.32Å; E113-W115 PolarHBondContact OE2-NE1 3.29Å; E113-K120 IonicContact OE1-NZ 2.59Å; E113-K120 PolarHBondContact OE1-NZ 3.46Å
114H96.5Very high94.7Very high4 Ų466.6 Ų66.62%0.01934%0.34CS..EExtended strand (participates in β ladder)trans-124137.6176.3-67.9-88.9000110.5Y70 W74 V108 V111 K120 I121 P123Y70-H114 HydrophobicContact CE1-CB 4.31Å; Y70-H114 AromaticContact CE1-ND1 3.68Å; Y70-H114 AromaticContact CZ-ND1 3.77Å; Y70-H114 WeakPolarHBondContact OH-CA 3.3Å; Y70-H114 VanDerWaalsContact OH-CB 3.3Å; Y70-H114 WeakPolarHBondContact OH-CB 3.39Å; Y70-H114 PolarHBondContact OH-ND1 2.89Å; W74-H114 AromaticContact CH2-CE1 3.61Å; W74-H114 AromaticContact CH2-ND1 3.51Å; W74-H114 AromaticContact CZ2-CE1 3.6Å; W74-H114 AromaticContact CZ2-ND1 3.91Å; V108-H114 PolarHBondContact O-NE2 2.7Å; V108-H114 VanDerWaalsContact O-NE2 3.1Å; V111-H114 PolarHBondContact O-NE2 2.89Å; H114-K120 CarbonylContact O-C 3.51Å; H114-K120 WeakPolarHBondContact O-CA 3.44Å; H114-I121 HydrophobicContact CB-CD1 4.04Å; H114-I121 HydrophobicContact CB-CG1 3.42Å; H114-I121 VanDerWaalsContact CB-CG1 3.42Å; H114-I121 PolarHBondContact O-N 2.91Å; H114-P123 HydrophobicContact CB-CG 4.24Å; H114-P123 WeakPolarHBondContact CD2-CG 3.49Å; H114-P123 WeakPolarHBondContact NE2-CG 3.14Å
115W95.6Very high94.7Very high138 Ų13870.8 Ų70.852%0.52336%0.357SS..EExtended strand (participates in β ladder)trans-135.5119-172.2-71.792.1000110.4Y70 E113 K119 K120Y70-W115 WeakPolarHBondContact CE2-O 3.13Å; Y70-W115 PolarHBondContact OH-N 3.3Å; E113-W115 PolarHBondContact OE2-NE1 3.29Å; W115-K119 WeakPolarHBondContact CA-O 3.32Å; W115-K120 HydrophobicContact CD2-CB 4.2Å; W115-K120 HydrophobicContact CE3-CB 4.08Å; W115-K120 HydrophobicContact CH2-CB 4.02Å; W115-K120 HydrophobicContact CZ2-CB 4.12Å; W115-K120 HydrophobicContact CZ2-CD 4.19Å; W115-K120 HydrophobicContact CZ2-CG 4.41Å; W115-K120 HydrophobicContact CZ3-CB 3.99Å
116L94.7Very high94.6Very high16 Ų1671.4 Ų71.48%0.08436%0.362CS..EExtended strand (participates in β ladder)trans-133.9128.8-178.1-179.860.3000109.8L58 T62 D66 L67 Y70 N118 K119 I121L58-L116 HydrophobicContact CD2-CD2 4.47Å; T62-L116 HydrophobicContact CG2-CD2 3.73Å; D66-L116 HydrophobicContact CB-CD1 4.33Å; L67-L116 HydrophobicContact CD2-CD2 3.7Å; Y70-L116 HydrophobicContact CD2-CB 4.23Å; Y70-L116 HydrophobicContact CD2-CD1 3.81Å; Y70-L116 HydrophobicContact CG-CD1 4.1Å; L116-N118 VanDerWaalsContact C-N 3.28Å; L116-N118 PolarHBondContact O-N 3.19Å; L116-K119 PolarHBondContact N-O 2.91Å; L116-K119 PolarHBondContact O-N 3.2Å; L116-I121 HydrophobicContact CB-CD1 4.02Å; L116-I121 HydrophobicContact CB-CG2 3.98Å; L116-I121 HydrophobicContact CD2-CD1 4.36Å
117K91Very high94.2Very high93 Ų9377.3 Ų77.340%0.40438%0.38SS..THydrogen-bonded Turntrans45.651.4-175.4-63.5-176.561.7166.40112.3E61 D66 K119E61-K117 PolarHBondContact O-NZ 3.23Å; E61-K117 IonicContact OE2-NZ 3.61Å; D66-K117 WeakPolarHBondContact OD2-CD 3.01Å; D66-K117 IonicContact OD2-NZ 2.67Å; K117-K119 PolarHBondContact O-N 3.01Å; K117-K119 VanDerWaalsContact O-N 3.07Å
118N90.7Very high93.1Very high163 Ų16375.5 Ų75.587%0.87238%0.38SS*.THydrogen-bonded Turntrans5814.2-177.7-61.918.2000115.9L116L116-N118 VanDerWaalsContact C-N 3.28Å; L116-N118 PolarHBondContact O-N 3.19Å
119K94.3Very high91.8Very high84 Ų8479.6 Ų79.637%0.36541%0.409SS..EExtended strand (participates in β ladder)trans-114.7137177.2-166173.5178.3-171.20110.6G57 L58 W115 L116 K117 I121G57-K119 WeakPolarHBondContact O-CD 3.4Å; G57-K119 WeakPolarHBondContact O-CE 3.42Å; G57-K119 PolarHBondContact O-NZ 2.81Å; L58-K119 PolarHBondContact O-NZ 3.12Å; W115-K119 WeakPolarHBondContact CA-O 3.32Å; L116-K119 PolarHBondContact N-O 2.91Å; L116-K119 PolarHBondContact O-N 3.2Å; K117-K119 PolarHBondContact O-N 3.01Å; K117-K119 VanDerWaalsContact O-N 3.07Å; K119-I121 PolarHBondContact O-N 2.85Å
120K95.8Very high90.3Very high100 Ų10084.2 Ų84.244%0.43542%0.422SS..EExtended strand (participates in β ladder)trans-71.4126.2173.6-172.7170.7178.5174.20109.5E113 H114 W115E113-K120 IonicContact OE1-NZ 2.59Å; E113-K120 PolarHBondContact OE1-NZ 3.46Å; H114-K120 CarbonylContact O-C 3.51Å; H114-K120 WeakPolarHBondContact O-CA 3.44Å; W115-K120 HydrophobicContact CD2-CB 4.2Å; W115-K120 HydrophobicContact CE3-CB 4.08Å; W115-K120 HydrophobicContact CH2-CB 4.02Å; W115-K120 HydrophobicContact CZ2-CB 4.12Å; W115-K120 HydrophobicContact CZ2-CD 4.19Å; W115-K120 HydrophobicContact CZ2-CG 4.41Å; W115-K120 HydrophobicContact CZ3-CB 3.99Å
121I96.8Very high88.9Confident4 Ų486.3 Ų86.32%0.02142%0.422CS..EExtended strand (participates in β ladder)trans-109.9156.7177.167.8173.3000110.2V55 G56 L58 Y70 F71 H114 L116 K119 P123V55-I121 HydrophobicContact CG1-CB 4.24Å; V55-I121 HydrophobicContact CG1-CD1 3.9Å; V55-I121 HydrophobicContact CG1-CG1 4.42Å; G56-I121 WeakPolarHBondContact O-CA 3.31Å; L58-I121 HydrophobicContact CD2-CB 4.38Å; L58-I121 HydrophobicContact CD2-CG2 3.83Å; Y70-I121 HydrophobicContact CD1-CD1 4.15Å; Y70-I121 HydrophobicContact CE1-CD1 3.87Å; F71-I121 HydrophobicContact CE2-CD1 4.35Å; F71-I121 HydrophobicContact CZ-CD1 3.97Å; H114-I121 HydrophobicContact CB-CD1 4.04Å; H114-I121 HydrophobicContact CB-CG1 3.42Å; H114-I121 VanDerWaalsContact CB-CG1 3.42Å; H114-I121 PolarHBondContact O-N 2.91Å; L116-I121 HydrophobicContact CB-CD1 4.02Å; L116-I121 HydrophobicContact CB-CG2 3.98Å; L116-I121 HydrophobicContact CD2-CD1 4.36Å; K119-I121 PolarHBondContact O-N 2.85Å; I121-P123 WeakPolarHBondContact O-CD 3.47Å
122D95.6Very high87.3Confident71 Ų7186.7 Ų86.738%0.3843%0.425SS..EExtended strand (participates in β ladder)trans-126.182.5-171.7178.731.8000109.6G56 K124G56-D122 PolarHBondContact N-O 3.33Å; G56-D122 PolarHBondContact O-N 3.48Å; D122-K124 VanDerWaalsContact CG-NZ 3.29Å; D122-K124 WeakPolarHBondContact OD1-CE 3.48Å; D122-K124 IonicContact OD1-NZ 2.7Å; D122-K124 PolarHBondContact OD1-NZ 3.28Å; D122-K124 VanDerWaalsContact OD1-NZ 3.15Å; D122-K124 WeakPolarHBondContact OD2-CE 3.29Å; D122-K124 IonicContact OD2-NZ 2.84Å; D122-K124 PolarHBondContact OD2-NZ 2.88Å
123P96.2Very high86.4Confident12 Ų1283.4 Ų83.48%0.07840%0.401CS..EExtended strand (participates in β ladder)trans-77.2132.5175.530.6-30.9000110.8L53 F54 F71 V108 L109 H114 I121L53-P123 HydrophobicContact CD2-CB 4.45Å; F54-P123 CarbonylContact O-C 3.58Å; F54-P123 WeakPolarHBondContact O-CA 3.14Å; F71-P123 HydrophobicContact CE1-CB 4.18Å; F71-P123 HydrophobicContact CZ-CB 4.19Å; V108-P123 HydrophobicContact CG1-CB 3.93Å; V108-P123 HydrophobicContact CG1-CG 3.93Å; L109-P123 VanDerWaalsContact CD2-O 3.24Å; L109-P123 WeakPolarHBondContact CD2-O 3.09Å; H114-P123 HydrophobicContact CB-CG 4.24Å; H114-P123 WeakPolarHBondContact CD2-CG 3.49Å; H114-P123 WeakPolarHBondContact NE2-CG 3.14Å; I121-P123 WeakPolarHBondContact O-CD 3.47Å
124K95.2Very high85.9Confident107 Ų10781.6 Ų81.647%0.46539%0.391SS..EExtended strand (participates in β ladder)trans-138.4154.3-179.5-75171.2171.2152.60109.2L53 F54 D122 A126L53-K124 CarbonylContact C-O 3.53Å; L53-K124 WeakPolarHBondContact CA-O 3.44Å; L53-K124 WeakPolarHBondContact CD2-O 3.42Å; F54-K124 PolarHBondContact N-O 2.85Å; F54-K124 PolarHBondContact O-N 3.39Å; D122-K124 VanDerWaalsContact CG-NZ 3.29Å; D122-K124 WeakPolarHBondContact OD1-CE 3.48Å; D122-K124 IonicContact OD1-NZ 2.7Å; D122-K124 PolarHBondContact OD1-NZ 3.28Å; D122-K124 VanDerWaalsContact OD1-NZ 3.15Å; D122-K124 WeakPolarHBondContact OD2-CE 3.29Å; D122-K124 IonicContact OD2-NZ 2.84Å; D122-K124 PolarHBondContact OD2-NZ 2.88Å; K124-A126 PolarHBondContact O-N 3.32Å
125K93.6Very high85.6Confident103 Ų10384.9 Ų84.945%0.44841%0.405SS..EExtended strand (participates in β ladder)trans-51.7129.8167.7-72.4-152.9175.3-169.10108.6E102 V105 L109E102-K125 IonicContact OE1-NZ 3.04Å; E102-K125 PolarHBondContact OE1-NZ 3.3Å; V105-K125 HydrophobicContact CG1-CG 4.11Å; L109-K125 HydrophobicContact CD1-CD 4.43Å; L109-K125 HydrophobicContact CD1-CG 3.44Å; L109-K125 VanDerWaalsContact CD1-CG 3.44Å
126A92.2Very high85.5Confident13 Ų1378.3 Ų78.311%0.10738%0.381CS..PPolyproline II helixtrans-62141.8178.500000109.3K52 F96 K124K52-A126 HydrophobicContact CB-CB 3.89Å; K52-A126 HydrophobicContact CD-CB 4.03Å; K52-A126 HydrophobicContact CG-CB 3.73Å; K52-A126 WeakPolarHBondContact O-CB 3.29Å; K52-A126 PolarHBondContact O-N 3.08Å; F96-A126 HydrophobicContact CD1-CB 4.23Å; F96-A126 HydrophobicContact CE1-CB 4.37Å; K124-A126 PolarHBondContact O-N 3.32Å
127K86.4Confident85.4Confident180 Ų18080.5 Ų80.578%0.78339%0.39SS*.PPolyproline II helixtrans-74.9138.4160.6-65.8-175.2178.4-176.30107.2S129K127-S129 PolarHBondContact O-N 2.93Å; K127-S129 VanDerWaalsContact O-N 3.1Å
128P73.7Confident85.5Confident76 Ų7676.1 Ų76.149%0.49437%0.37SS..PPolyproline II helixtrans-55.6121.3176.523.9-33.8000108.7D49 R130D49-P128 HydrophobicContact CB-CB 4.45Å; D49-P128 WeakPolarHBondContact OD2-CA 3.44Å; D49-P128 VanDerWaalsContact OD2-CB 3.24Å; D49-P128 WeakPolarHBondContact OD2-CB 3.43Å; P128-R130 PolarHBondContact O-N 2.85Å
129S66.6Low85.6Confident87 Ų8768.7 Ų68.761%0.60833%0.333SS*.SBendtrans-77-18.1-169.7-176.50000112.3K127K127-S129 PolarHBondContact O-N 2.93Å; K127-S129 VanDerWaalsContact O-N 3.1Å
130R64.7Low85.4Confident160 Ų16066.3 Ų66.360%0.60433%0.332SS*.SBendtrans-113134.5167.4-65.7176.1179.3143.5-2.2105.7P128P128-R130 PolarHBondContact O-N 2.85Å
131E64.2Low85.2Confident135 Ų13561.8 Ų61.863%0.63131%0.312SS*.  trans-61.1121.3167.6-162.1158.8-158.400106.3L133 T211E131-L133 PolarHBondContact O-N 3.36Å; E131-T211 VanDerWaalsContact CD-CG2 3.45Å; E131-T211 WeakPolarHBondContact OE1-CG2 3.46Å; E131-T211 WeakPolarHBondContact OE2-CG2 3.24Å
132P61.6Low84.8Confident57 Ų5763 Ų6337%0.3732%0.319SS..  trans-57.8127.5-162.420.3-32.7000109.4K134P132-K134 HydrophobicContact CB-CD 4.15Å; P132-K134 HydrophobicContact CB-CG 4.13Å; P132-K134 PolarHBondContact O-N 3.07Å
133L73.3Confident84.3Confident55 Ų5561.2 Ų61.229%0.28831%0.311SS..THydrogen-bonded Turntrans-77.734.5-168.6-61.9168.1000112.1E131 E185 A188 V208E131-L133 PolarHBondContact O-N 3.36Å; L133-E185 HydrophobicContact CB-CG 3.81Å; L133-E185 PolarHBondContact N-OE2 3.39Å; L133-E185 VanDerWaalsContact N-OE2 3.08Å; L133-A188 WeakPolarHBondContact O-CB 3.17Å; L133-V208 HydrophobicContact CD2-CG1 3.63Å; L133-V208 HydrophobicContact CD2-CG2 4.49Å
134K86Confident83.9Confident56 Ų5668.4 Ų68.424%0.24334%0.344CS..THydrogen-bonded Turntrans-75.5-24.3-178.1-70.8-176.2-173.4-157.20113.2N46 P132 S181 F182 S183 E185N46-K134 WeakPolarHBondContact OD1-CE 3.29Å; P132-K134 HydrophobicContact CB-CD 4.15Å; P132-K134 HydrophobicContact CB-CG 4.13Å; P132-K134 PolarHBondContact O-N 3.07Å; K134-S181 CarbonylContact O-C 3.38Å; K134-S181 WeakPolarHBondContact O-CA 3.49Å; K134-F182 WeakPolarHBondContact CB-O 3.39Å; K134-F182 PolarHBondContact O-N 2.69Å; K134-S183 PolarHBondContact NZ-O 3.29Å; K134-E185 HydrophobicContact CG-CB 4.31Å
135K89.9Confident83.5Confident72 Ų7263.8 Ų63.831%0.31333%0.325SS..EExtended strand (participates in β ladder)trans-97.8125.9179.1-163.3168.8178.9169.40110.7D164 F179 V180 A209K135-D164 IonicContact NZ-OD2 3.55Å; K135-D164 PolarHBondContact NZ-OD2 2.84Å; K135-F179 HydrophobicContact CD-CB 4.28Å; K135-F179 HydrophobicContact CG-CB 4.19Å; K135-V180 CarbonylContact C-O 3.57Å; K135-V180 WeakPolarHBondContact CA-O 3.32Å; K135-A209 VanDerWaalsContact C-CB 3.5Å; K135-A209 HydrophobicContact CB-CB 3.87Å; K135-A209 HydrophobicContact CD-CB 4.37Å; K135-A209 HydrophobicContact CG-CB 3.69Å; K135-A209 WeakPolarHBondContact O-CB 3.4Å; K135-A209 PolarHBondContact O-N 3.47Å
136I92.7Very high83.3Confident0 Ų061.6 Ų61.60%032%0.32CS..EExtended strand (participates in β ladder)trans-108.2150.5173.565163.1000110.6V138 F154 F179 V180 F182 A188 A191 I192 V206 R207I136-V138 HydrophobicContact CD1-CG2 3.79Å; I136-V138 HydrophobicContact CG1-CG2 4.25Å; I136-F154 HydrophobicContact CD1-CD1 4.08Å; I136-F154 HydrophobicContact CD1-CE1 3.79Å; I136-F154 HydrophobicContact CD1-CZ 4.4Å; I136-F179 WeakPolarHBondContact O-CA 3.41Å; I136-F179 WeakPolarHBondContact O-CB 3.46Å; I136-V180 HydrophobicContact CD1-CB 4.04Å; I136-V180 HydrophobicContact CD1-CG2 4.28Å; I136-V180 HydrophobicContact CG1-CB 3.65Å; I136-V180 HydrophobicContact CG1-CG2 4.23Å; I136-V180 WeakPolarHBondContact CG1-O 3.37Å; I136-V180 PolarHBondContact N-O 2.87Å; I136-V180 PolarHBondContact O-N 2.94Å; I136-F182 HydrophobicContact CD1-CE2 3.71Å; I136-F182 HydrophobicContact CD1-CZ 4.34Å; I136-F182 HydrophobicContact CG1-CE2 3.92Å; I136-F182 HydrophobicContact CG2-CE2 4.31Å; I136-A188 HydrophobicContact CG2-CB 3.87Å; I136-A191 HydrophobicContact CD1-CB 3.97Å; I136-I192 HydrophobicContact CG2-CD1 3.79Å; I136-I192 HydrophobicContact CG2-CG1 3.74Å; I136-V206 HydrophobicContact CB-CG1 4.49Å; I136-V206 HydrophobicContact CD1-CG1 3.77Å; I136-R207 CarbonylContact C-O 3.56Å; I136-R207 WeakPolarHBondContact CA-O 3.31Å; I136-R207 WeakPolarHBondContact CB-O 3.36Å
137F92.7Very high83.2Confident63 Ų6364.5 Ų64.528%0.27633%0.331SS..EExtended strand (participates in β ladder)trans-99135.6166.5168.7-88.6000108.5Y177 F179 V206 R207F137-Y177 HydrophobicContact CD2-CD2 4.1Å; F137-Y177 HydrophobicContact CE2-CD1 4.48Å; F137-Y177 AromaticContact CE2-CD2 3.51Å; F137-Y177 HydrophobicContact CE2-CD2 3.51Å; F137-Y177 HydrophobicContact CE2-CE2 4.33Å; F137-Y177 AromaticContact CE2-CG 3.61Å; F137-Y177 HydrophobicContact CE2-CG 3.61Å; F137-Y177 HydrophobicContact CZ-CD2 4.46Å; F137-Y177 HydrophobicContact CZ-CG 4.13Å; F137-F179 HydrophobicContact CB-CD1 4.03Å; F137-F179 HydrophobicContact CB-CE1 4.11Å; F137-F179 HydrophobicContact CD2-CD1 4.14Å; F137-F179 AromaticContact CD2-CE1 3.69Å; F137-F179 HydrophobicContact CD2-CE1 3.69Å; F137-F179 HydrophobicContact CD2-CZ 4.17Å; F137-F179 HydrophobicContact CG-CE1 4.39Å; F137-V206 WeakPolarHBondContact O-CA 3.28Å; F137-R207 PolarHBondContact N-O 3.42Å; F137-R207 PolarHBondContact O-N 3.2Å
138V93.2Very high83.4Confident0 Ų060.5 Ų60.50%032%0.318CS..EExtended strand (participates in β ladder)trans-125.9111.6175.2-175.80000107.6I136 F154 Y177 I178 V180 I199 C204 D205 V206I136-V138 HydrophobicContact CD1-CG2 3.79Å; I136-V138 HydrophobicContact CG1-CG2 4.25Å; V138-F154 HydrophobicContact CB-CZ 4.44Å; V138-F154 HydrophobicContact CG1-CZ 4.13Å; V138-F154 HydrophobicContact CG2-CE1 4.23Å; V138-F154 HydrophobicContact CG2-CE2 4.08Å; V138-F154 HydrophobicContact CG2-CZ 3.55Å; V138-Y177 CarbonylContact O-C 3.42Å; V138-Y177 WeakPolarHBondContact O-CA 3.47Å; V138-Y177 WeakPolarHBondContact O-CB 3.35Å; V138-I178 HydrophobicContact CB-CD1 4.25Å; V138-I178 HydrophobicContact CB-CG1 3.7Å; V138-I178 HydrophobicContact CG1-CG1 4.41Å; V138-I178 HydrophobicContact CG2-CD1 4.46Å; V138-I178 HydrophobicContact CG2-CG1 4.23Å; V138-I178 PolarHBondContact N-O 3.05Å; V138-I178 PolarHBondContact O-N 3.42Å; V138-V180 HydrophobicContact CG2-CG2 4.21Å; V138-I199 HydrophobicContact CG1-CD1 4.1Å; V138-C204 HydrophobicContact CG1-CB 3.98Å; V138-D205 WeakPolarHBondContact CA-O 3.35Å; V138-V206 HydrophobicContact CG1-CG2 4.16Å; V138-V206 HydrophobicContact CG2-CG2 4.23Å
139G93Very high84.3Confident8 Ų860.3 Ų60.38%0.08231%0.311CS..EExtended strand (participates in β ladder)trans-103.4155.6177.300000112.2C204 D205G139-C204 CarbonylContact O-C 3.57Å; G139-C204 WeakPolarHBondContact O-CA 3Å; G139-C204 VanDerWaalsContact O-CB 3.3Å; G139-C204 WeakPolarHBondContact O-CB 3.14Å; G139-D205 PolarHBondContact N-O 2.59Å; G139-D205 PolarHBondContact O-N 3.37Å
140G90.7Very high85.5Confident34 Ų3456.3 Ų56.335%0.35128%0.283SS..SBendtrans92.3-7.3178.300000114.9H176G140-H176 PolarHBondContact N-O 3.08Å
141I90.6Very high86.9Confident4 Ų453.4 Ų53.42%0.02127%0.272CS..  trans-63.8147.1-177.5-165.6167.1000112.8V145 I150 H176 I178I141-V145 HydrophobicContact CD1-CG1 4.36Å; I141-I150 HydrophobicContact CD1-CD1 3.61Å; I141-I150 HydrophobicContact CD1-CG1 3.58Å; I141-H176 WeakPolarHBondContact O-CA 3.47Å; I141-I178 HydrophobicContact CD1-CD1 3.89Å; I141-I178 HydrophobicContact CD1-CG1 4.48Å; I141-I178 HydrophobicContact CG2-CG1 4.43Å; I141-I178 HydrophobicContact CG2-CG2 4.01Å
142D88.5Confident88.2Confident31 Ų3154.2 Ų54.217%0.16628%0.276CS..  trans-67.1127.3175-157.1-28.9000111.4E144 V145 R202D142-E144 PolarHBondContact O-N 3.38Å; D142-E144 WeakPolarHBondContact OD1-CB 3.37Å; D142-E144 PolarHBondContact OD1-N 3.24Å; D142-V145 HydrophobicContact CB-CB 4.4Å; D142-V145 HydrophobicContact CB-CG2 3.79Å; D142-V145 PolarHBondContact O-N 3.41Å; D142-R202 IonicContact OD1-CZ 3.68Å; D142-R202 IonicContact OD1-NH1 2.62Å; D142-R202 IonicContact OD1-NH2 2.65Å; D142-R202 PolarHBondContact OD1-NH2 2.92Å; D142-R202 VanDerWaalsContact OD1-NH2 3.08Å; D142-R202 IonicContact OD2-CZ 3.79Å; D142-R202 IonicContact OD2-NE 2.92Å; D142-R202 PolarHBondContact OD2-NE 3.46Å; D142-R202 IonicContact OD2-NH2 3.69Å; D142-R202 PolarHBondContact OD2-NH2 2.91Å
143P86.2Confident89.7Confident32 Ų3254.7 Ų54.721%0.20827%0.271CS..THydrogen-bonded Turntrans-59.3-19.7169.225.5-37000113.9R174 H176P143-R174 HydrophobicContact CB-CB 3.79Å; P143-R174 WeakPolarHBondContact O-CD 3.44Å; P143-R174 PolarHBondContact O-NH1 3.44Å; P143-H176 VanDerWaalsContact CD-CD2 3.5Å; P143-H176 WeakPolarHBondContact CD-CD2 3.34Å
144E85.8Confident90.6Very high163 Ų16352.1 Ų52.176%0.76226%0.257SS*.THydrogen-bonded Turntrans-78.4-23.7178.5-62.1-172.6179.800113.6D142D142-E144 PolarHBondContact O-N 3.38Å; D142-E144 WeakPolarHBondContact OD1-CB 3.37Å; D142-E144 PolarHBondContact OD1-N 3.24Å
145V86.9Confident90.9Very high10 Ų1052.8 Ų52.86%0.06127%0.269CS..SBendtrans-65.6136.9179.5168.20000110.8I141 D142 Q149 I150 R174 F200I141-V145 HydrophobicContact CD1-CG1 4.36Å; D142-V145 HydrophobicContact CB-CB 4.4Å; D142-V145 HydrophobicContact CB-CG2 3.79Å; D142-V145 PolarHBondContact O-N 3.41Å; V145-Q149 HydrophobicContact CG1-CB 3.99Å; V145-I150 HydrophobicContact CG1-CD1 4Å; V145-I150 HydrophobicContact CG1-CG1 3.71Å; V145-R174 PolarHBondContact O-NH1 3.14Å; V145-F200 HydrophobicContact CB-CD2 4.28Å; V145-F200 HydrophobicContact CG1-CD2 3.64Å; V145-F200 HydrophobicContact CG1-CE2 3.65Å; V145-F200 HydrophobicContact CG2-CB 4.01Å; V145-F200 HydrophobicContact CG2-CD2 3.52Å; V145-F200 HydrophobicContact CG2-CE2 4.34Å; V145-F200 HydrophobicContact CG2-CG 3.93Å
146T89.8Confident91Very high58 Ų5853.3 Ų53.336%0.35628%0.281SS..  trans-82.9158.3-176.767.10000112.9D148 Q149 I150T146-D148 VanDerWaalsContact C-N 3.27Å; T146-D148 PolarHBondContact O-N 3.49Å; T146-Q149 PolarHBondContact O-N 2.96Å; T146-Q149 WeakPolarHBondContact OG1-CB 3.34Å; T146-Q149 VanDerWaalsContact OG1-CG 3.29Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.45Å; T146-Q149 PolarHBondContact OG1-N 3.08Å; T146-Q149 PolarHBondContact OG1-OE1 3.27Å; T146-I150 WeakPolarHBondContact O-CD1 3.21Å; T146-I150 WeakPolarHBondContact O-CG1 3.24Å; T146-I150 PolarHBondContact O-N 3.35Å; T146-I150 VanDerWaalsContact O-N 3.12Å
147E89.8Confident90.9Very high73 Ų7354.2 Ų54.234%0.34129%0.285SS..Hα-helixtrans-60.6-38.2177-174.4-177.4151.200111.8I150 R151 L163 L165E147-I150 WeakPolarHBondContact O-CB 3.09Å; E147-I150 PolarHBondContact O-N 3.16Å; E147-R151 WeakPolarHBondContact O-CB 3.25Å; E147-R151 PolarHBondContact O-N 3.42Å; E147-R151 IonicContact OE1-CZ 3.55Å; E147-R151 IonicContact OE1-NH2 3.58Å; E147-R151 PolarHBondContact OE1-NH2 2.67Å; E147-L163 HydrophobicContact CG-CB 4.04Å; E147-L163 HydrophobicContact CG-CD1 3.45Å; E147-L163 VanDerWaalsContact CG-CD1 3.45Å; E147-L163 HydrophobicContact CG-CG 4.38Å; E147-L163 WeakPolarHBondContact O-CD1 3.25Å; E147-L165 HydrophobicContact CB-CD1 4.37Å; E147-L165 HydrophobicContact CG-CD1 3.94Å
148D92.2Very high90.8Very high96 Ų9652.1 Ų52.151%0.51328%0.282SS..Hα-helixtrans-68.8-39.7-179-56.3-58.3000112T146 I150 R151 E152T146-D148 VanDerWaalsContact C-N 3.27Å; T146-D148 PolarHBondContact O-N 3.49Å; D148-I150 VanDerWaalsContact C-N 3.33Å; D148-I150 PolarHBondContact O-N 3.45Å; D148-R151 PolarHBondContact O-N 3.21Å; D148-R151 IonicContact OD1-CZ 4Å; D148-R151 IonicContact OD1-NH1 3.15Å; D148-R151 PolarHBondContact OD1-NH1 2.87Å; D148-R151 IonicContact OD1-NH2 3.08Å; D148-E152 WeakPolarHBondContact O-CB 3.3Å; D148-E152 PolarHBondContact O-N 3.35Å
149Q91.5Very high90.7Very high73 Ų7359.5 Ų59.534%0.34131%0.314SS..Hα-helixtrans-59.1-42.2171.5-81.2173-27.700112.3V145 T146 Y153 F200V145-Q149 HydrophobicContact CG1-CB 3.99Å; T146-Q149 PolarHBondContact O-N 2.96Å; T146-Q149 WeakPolarHBondContact OG1-CB 3.34Å; T146-Q149 VanDerWaalsContact OG1-CG 3.29Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.45Å; T146-Q149 PolarHBondContact OG1-N 3.08Å; T146-Q149 PolarHBondContact OG1-OE1 3.27Å; Q149-Y153 WeakPolarHBondContact O-CB 3.08Å; Q149-Y153 PolarHBondContact O-N 3.14Å; Q149-Y153 VanDerWaalsContact O-N 3.1Å; Q149-F200 HydrophobicContact CB-CE1 4.49Å; Q149-F200 HydrophobicContact CB-CE2 3.86Å; Q149-F200 HydrophobicContact CB-CZ 3.62Å; Q149-F200 HydrophobicContact CG-CE1 4.46Å; Q149-F200 HydrophobicContact CG-CZ 4.03Å
150I92Very high90.7Very high3 Ų360.2 Ų60.22%0.01532%0.316CS..Hα-helixtrans-63.3-46.4173.7-72.4156.7000110.3I141 V145 T146 E147 D148 E152 Y153 F154 L163 L165 I178I141-I150 HydrophobicContact CD1-CD1 3.61Å; I141-I150 HydrophobicContact CD1-CG1 3.58Å; V145-I150 HydrophobicContact CG1-CD1 4Å; V145-I150 HydrophobicContact CG1-CG1 3.71Å; T146-I150 WeakPolarHBondContact O-CD1 3.21Å; T146-I150 WeakPolarHBondContact O-CG1 3.24Å; T146-I150 PolarHBondContact O-N 3.35Å; T146-I150 VanDerWaalsContact O-N 3.12Å; E147-I150 WeakPolarHBondContact O-CB 3.09Å; E147-I150 PolarHBondContact O-N 3.16Å; D148-I150 VanDerWaalsContact C-N 3.33Å; D148-I150 PolarHBondContact O-N 3.45Å; I150-E152 PolarHBondContact O-N 2.62Å; I150-Y153 PolarHBondContact O-N 3.43Å; I150-F154 HydrophobicContact CG2-CD2 3.83Å; I150-F154 HydrophobicContact CG2-CE2 4.17Å; I150-F154 VanDerWaalsContact O-CD2 3.3Å; I150-F154 WeakPolarHBondContact O-CD2 3.48Å; I150-F154 PolarHBondContact O-N 2.89Å; I150-L163 HydrophobicContact CB-CD1 4.47Å; I150-L163 HydrophobicContact CG2-CD1 3.98Å; I150-L163 HydrophobicContact CG2-CD2 3.72Å; I150-L165 HydrophobicContact CD1-CD2 3.8Å; I150-I178 HydrophobicContact CB-CD1 4.44Å; I150-I178 HydrophobicContact CD1-CD1 4Å; I150-I178 HydrophobicContact CD1-CG2 4.49Å; I150-I178 HydrophobicContact CG1-CD1 4.14Å; I150-I178 HydrophobicContact CG2-CD1 3.42Å; I150-I178 VanDerWaalsContact CG2-CD1 3.42Å
151R93.6Very high90.7Very high98 Ų9865 Ų6537%0.3733%0.33SS..Hα-helixtrans-61.6-45.8-178.8-158.2-178.4-61.1118.30.4111.2E147 D148 S155 V160 L163E147-R151 WeakPolarHBondContact O-CB 3.25Å; E147-R151 PolarHBondContact O-N 3.42Å; E147-R151 IonicContact OE1-CZ 3.55Å; E147-R151 IonicContact OE1-NH2 3.58Å; E147-R151 PolarHBondContact OE1-NH2 2.67Å; D148-R151 PolarHBondContact O-N 3.21Å; D148-R151 IonicContact OD1-CZ 4Å; D148-R151 IonicContact OD1-NH1 3.15Å; D148-R151 PolarHBondContact OD1-NH1 2.87Å; D148-R151 IonicContact OD1-NH2 3.08Å; R151-S155 WeakPolarHBondContact O-CB 3.39Å; R151-S155 PolarHBondContact O-N 3.25Å; R151-V160 HydrophobicContact CG-CB 4.23Å; R151-V160 HydrophobicContact CG-CG1 4.33Å; R151-L163 HydrophobicContact CB-CD1 3.68Å; R151-L163 HydrophobicContact CG-CD1 4.02Å
152E92.9Very high90.7Very high153 Ų15367.3 Ų67.372%0.71535%0.346SS*.Hα-helixtrans-60.6-49.3177.9-175.5174.3-166.100111.5D148 I150 F154 S155D148-E152 WeakPolarHBondContact O-CB 3.3Å; D148-E152 PolarHBondContact O-N 3.35Å; I150-E152 PolarHBondContact O-N 2.62Å; E152-F154 PolarHBondContact O-N 3.16Å; E152-S155 WeakPolarHBondContact O-CB 3.24Å; E152-S155 PolarHBondContact O-N 3.29Å
153Y92.3Very high90.8Very high67 Ų6767.1 Ų67.126%0.26335%0.345SS..Hα-helixtrans-58.8-50.9177.4-174.8-90.5000112.1Q149 I150 S155 S156 F157 Q197 D198 I199Q149-Y153 WeakPolarHBondContact O-CB 3.08Å; Q149-Y153 PolarHBondContact O-N 3.14Å; Q149-Y153 VanDerWaalsContact O-N 3.1Å; I150-Y153 PolarHBondContact O-N 3.43Å; Y153-S155 VanDerWaalsContact C-N 3.31Å; Y153-S155 PolarHBondContact O-N 3.15Å; Y153-S156 WeakPolarHBondContact O-CB 3.48Å; Y153-S156 PolarHBondContact O-N 2.87Å; Y153-S156 PolarHBondContact O-OG 3.03Å; Y153-F157 HydrophobicContact CD1-CE2 4.36Å; Y153-F157 AromaticContact CE1-CE2 3.95Å; Y153-F157 HydrophobicContact CE1-CE2 3.95Å; Y153-Q197 VanDerWaalsContact CE1-OE1 3.31Å; Y153-Q197 PolarHBondContact OH-OE1 2.8Å; Y153-D198 PolarHBondContact OH-O 3.37Å; Y153-I199 HydrophobicContact CD1-CD1 4.24Å; Y153-I199 HydrophobicContact CD1-CG1 4.38Å; Y153-I199 HydrophobicContact CE1-CD1 3.78Å; Y153-I199 HydrophobicContact CE1-CG1 3.74Å; Y153-I199 HydrophobicContact CE2-CG1 4.43Å
154F92Very high91Very high1 Ų168.5 Ų68.50%0.00435%0.351CS..Hα-helixtrans-72-24-179.6-75.8-67.9000113.5I136 V138 I150 E152 S156 F157 G158 V160 I178 V180 F182 I199I136-F154 HydrophobicContact CD1-CD1 4.08Å; I136-F154 HydrophobicContact CD1-CE1 3.79Å; I136-F154 HydrophobicContact CD1-CZ 4.4Å; V138-F154 HydrophobicContact CB-CZ 4.44Å; V138-F154 HydrophobicContact CG1-CZ 4.13Å; V138-F154 HydrophobicContact CG2-CE1 4.23Å; V138-F154 HydrophobicContact CG2-CE2 4.08Å; V138-F154 HydrophobicContact CG2-CZ 3.55Å; I150-F154 HydrophobicContact CG2-CD2 3.83Å; I150-F154 HydrophobicContact CG2-CE2 4.17Å; I150-F154 VanDerWaalsContact O-CD2 3.3Å; I150-F154 WeakPolarHBondContact O-CD2 3.48Å; I150-F154 PolarHBondContact O-N 2.89Å; E152-F154 PolarHBondContact O-N 3.16Å; F154-S156 PolarHBondContact O-N 3.24Å; F154-S156 VanDerWaalsContact O-N 3.11Å; F154-F157 HydrophobicContact CD1-CD2 4.05Å; F154-F157 HydrophobicContact CD1-CE2 4.27Å; F154-F157 PolarHBondContact O-N 2.98Å; F154-G158 PolarHBondContact O-N 2.8Å; F154-V160 HydrophobicContact CB-CG2 3.87Å; F154-I178 HydrophobicContact CE2-CD1 4.29Å; F154-V180 HydrophobicContact CB-CG1 4.13Å; F154-V180 HydrophobicContact CD2-CG2 3.78Å; F154-V180 HydrophobicContact CE2-CG2 3.98Å; F154-V180 HydrophobicContact CG-CG1 4.25Å; F154-V180 HydrophobicContact CG-CG2 4.18Å; F154-F182 HydrophobicContact CB-CE1 4.25Å; F154-F182 HydrophobicContact CB-CZ 4Å; F154-F182 HydrophobicContact CD1-CZ 4Å; F154-F182 HydrophobicContact CG-CZ 4.35Å; F154-F182 WeakPolarHBondContact O-CE1 3.18Å; F154-I199 HydrophobicContact CE2-CD1 4.23Å; F154-I199 HydrophobicContact CZ-CD1 3.76Å
155S92.6Very high91.3Very high70 Ų7061.8 Ų61.849%0.4932%0.32SS..Hα-helixtrans-60.8-19173.6-168.30000113.3R151 E152 Y153 F157 G158R151-S155 WeakPolarHBondContact O-CB 3.39Å; R151-S155 PolarHBondContact O-N 3.25Å; E152-S155 WeakPolarHBondContact O-CB 3.24Å; E152-S155 PolarHBondContact O-N 3.29Å; Y153-S155 VanDerWaalsContact C-N 3.31Å; Y153-S155 PolarHBondContact O-N 3.15Å; S155-F157 VanDerWaalsContact C-N 3.29Å; S155-F157 PolarHBondContact O-N 3.34Å; S155-G158 WeakPolarHBondContact CA-O 3.3Å
156S91.5Very high91.3Very high82 Ų8262.4 Ų62.457%0.57332%0.324SS*.THydrogen-bonded Turntrans-69.8-23172.671.80000113.9Y153 F154Y153-S156 WeakPolarHBondContact O-CB 3.48Å; Y153-S156 PolarHBondContact O-N 2.87Å; Y153-S156 PolarHBondContact O-OG 3.03Å; F154-S156 PolarHBondContact O-N 3.24Å; F154-S156 VanDerWaalsContact O-N 3.11Å
157F90.5Very high91.2Very high20 Ų2065.6 Ų65.69%0.08833%0.33CS..THydrogen-bonded Turntrans-87.8-34.5175.3-61.8-88.9000111.7Y153 F154 S155 F182 K190 A191 K194 Q197Y153-F157 HydrophobicContact CD1-CE2 4.36Å; Y153-F157 AromaticContact CE1-CE2 3.95Å; Y153-F157 HydrophobicContact CE1-CE2 3.95Å; F154-F157 HydrophobicContact CD1-CD2 4.05Å; F154-F157 HydrophobicContact CD1-CE2 4.27Å; F154-F157 PolarHBondContact O-N 2.98Å; S155-F157 VanDerWaalsContact C-N 3.29Å; S155-F157 PolarHBondContact O-N 3.34Å; F157-F182 HydrophobicContact CB-CE1 4.27Å; F157-F182 HydrophobicContact CB-CZ 4.29Å; F157-K190 HydrophobicContact CD1-CB 4.38Å; F157-K190 HydrophobicContact CD1-CD 4.38Å; F157-K190 HydrophobicContact CD1-CG 4.06Å; F157-A191 HydrophobicContact CB-CB 4.28Å; F157-A191 HydrophobicContact CD1-CB 4.04Å; F157-A191 HydrophobicContact CD2-CB 4.43Å; F157-A191 HydrophobicContact CE1-CB 4.48Å; F157-A191 HydrophobicContact CG-CB 4Å; F157-K194 HydrophobicContact CE1-CD 4.41Å; F157-Q197 VanDerWaalsContact CZ-OE1 3.23Å
158G90.2Very high91Very high19 Ų1964.1 Ų64.120%0.19633%0.325CS..SBendtrans165.8-178171.100000112.3F154 S155 V160F154-G158 PolarHBondContact O-N 2.8Å; S155-G158 WeakPolarHBondContact CA-O 3.3Å; G158-V160 PolarHBondContact O-N 3.08Å; G158-V160 VanDerWaalsContact O-N 3.12Å
159K92.6Very high90.6Very high155 Ų15566.4 Ų66.467%0.67434%0.342SS*.  trans-62.2113.3-175.3-174.3-178.4179.5-173.80111.9F182 S183K159-F182 WeakPolarHBondContact O-CA 3.43Å; K159-S183 PolarHBondContact O-N 3.05Å
160V93.2Very high90Very high22 Ų2271.6 Ų71.613%0.13337%0.367CS..EExtended strand (participates in β ladder)trans-74.5131.1172.5-179.30000109.6R151 F154 G158 L163 V180 F182R151-V160 HydrophobicContact CG-CB 4.23Å; R151-V160 HydrophobicContact CG-CG1 4.33Å; F154-V160 HydrophobicContact CB-CG2 3.87Å; G158-V160 PolarHBondContact O-N 3.08Å; G158-V160 VanDerWaalsContact O-N 3.12Å; V160-L163 HydrophobicContact CG1-CD2 3.97Å; V160-L163 HydrophobicContact CG1-CG 3.96Å; V160-V180 HydrophobicContact CG1-CG1 3.86Å; V160-V180 HydrophobicContact CG2-CG1 4.05Å; V160-F182 HydrophobicContact CG2-CD1 4.21Å; V160-F182 HydrophobicContact CG2-CE1 3.9Å
161E90.4Very high89.4Confident136 Ų13679 Ų7964%0.63640%0.399SS*.EExtended strand (participates in β ladder)trans-98-43.6179.2-176.9179-17100111.9S181E161-S181 PolarHBondContact N-O 2.79Å
162S89.4Confident88.8Confident52 Ų5277.5 Ų77.536%0.36441%0.414SS..EExtended strand (participates in β ladder)trans-150.4144.1178.774.20000112.1S181S162-S181 PolarHBondContact N-O 2.92Å; S162-S181 PolarHBondContact O-N 2.83Å; S162-S181 WeakPolarHBondContact OG-CB 3.33Å; S162-S181 PolarHBondContact OG-OG 3.31Å
163L92.1Very high88.3Confident26 Ų2677.2 Ų77.214%0.13641%0.411CS..EExtended strand (participates in β ladder)trans-113136.6170.1-67172.6000109.9E147 I150 R151 V160 L165 V180E147-L163 HydrophobicContact CG-CB 4.04Å; E147-L163 HydrophobicContact CG-CD1 3.45Å; E147-L163 VanDerWaalsContact CG-CD1 3.45Å; E147-L163 HydrophobicContact CG-CG 4.38Å; E147-L163 WeakPolarHBondContact O-CD1 3.25Å; I150-L163 HydrophobicContact CB-CD1 4.47Å; I150-L163 HydrophobicContact CG2-CD1 3.98Å; I150-L163 HydrophobicContact CG2-CD2 3.72Å; R151-L163 HydrophobicContact CB-CD1 3.68Å; R151-L163 HydrophobicContact CG-CD1 4.02Å; V160-L163 HydrophobicContact CG1-CD2 3.97Å; V160-L163 HydrophobicContact CG1-CG 3.96Å; L163-L165 HydrophobicContact CB-CD1 3.84Å; L163-V180 HydrophobicContact CD2-CB 3.95Å; L163-V180 HydrophobicContact CD2-CG1 3.72Å; L163-V180 HydrophobicContact CD2-CG2 3.62Å
164D90.5Very high88Confident62 Ų6277.2 Ų77.233%0.33241%0.41SS..EExtended strand (participates in β ladder)trans-128110.5-179.21718.9000107.2K135 P166 I178 F179K135-D164 IonicContact NZ-OD2 3.55Å; K135-D164 PolarHBondContact NZ-OD2 2.84Å; D164-P166 WeakPolarHBondContact O-CD 3.39Å; D164-I178 CarbonylContact O-C 3.49Å; D164-I178 WeakPolarHBondContact O-CA 3.44Å; D164-F179 HydrophobicContact CB-CB 4.22Å; D164-F179 HydrophobicContact CB-CD2 4.36Å; D164-F179 PolarHBondContact N-O 3.21Å; D164-F179 PolarHBondContact O-N 3.1Å; D164-F179 WeakPolarHBondContact OD2-CD2 3.2Å
165L91.1Very high87.8Confident21 Ų2180.5 Ų80.511%0.1142%0.424CS..  trans-116.287.4-175.2-65.788000109.5E147 I150 L163 Y167 I178E147-L165 HydrophobicContact CB-CD1 4.37Å; E147-L165 HydrophobicContact CG-CD1 3.94Å; I150-L165 HydrophobicContact CD1-CD2 3.8Å; L163-L165 HydrophobicContact CB-CD1 3.84Å; L165-Y167 WeakPolarHBondContact O-CD2 3.48Å; L165-Y167 VanDerWaalsContact O-CE2 3.29Å; L165-Y167 WeakPolarHBondContact O-CE2 3.43Å; L165-Y167 PolarHBondContact O-N 3.18Å; L165-I178 HydrophobicContact CB-CG2 4.18Å; L165-I178 HydrophobicContact CD2-CG2 3.98Å; L165-I178 HydrophobicContact CG-CB 4.36Å; L165-I178 HydrophobicContact CG-CG2 3.63Å
166P87.7Confident87.7Confident24 Ų2482.5 Ų82.516%0.15643%0.426CS..  trans-64.1128.2-175.7-28.439.4000113.1D164 K175 Y177 F179D164-P166 WeakPolarHBondContact O-CD 3.39Å; P166-K175 HydrophobicContact CB-CD 4.18Å; P166-K175 VanDerWaalsContact O-CB 3.3Å; P166-K175 WeakPolarHBondContact O-CB 3.29Å; P166-K175 VanDerWaalsContact O-CG 3.29Å; P166-K175 WeakPolarHBondContact O-CG 3.36Å; P166-K175 PolarHBondContact O-N 3.28Å; P166-Y177 HydrophobicContact CB-CE2 4.22Å; P166-Y177 HydrophobicContact CG-CD2 4.49Å; P166-Y177 HydrophobicContact CG-CE2 3.74Å; P166-F179 HydrophobicContact CG-CD2 4.41Å; P166-F179 HydrophobicContact CG-CE2 4.2Å
167Y87.4Confident87.7Confident125 Ų12581.9 Ų81.949%0.4941%0.411SS..EExtended strand (participates in β ladder)trans-86.8146.9172.4-67.6-100.1000110.9L165 T169 R174 K175L165-Y167 WeakPolarHBondContact O-CD2 3.48Å; L165-Y167 VanDerWaalsContact O-CE2 3.29Å; L165-Y167 WeakPolarHBondContact O-CE2 3.43Å; L165-Y167 PolarHBondContact O-N 3.18Å; Y167-T169 PolarHBondContact O-N 3.39Å; Y167-R174 HydrophobicContact CD1-CG 3.76Å; Y167-R174 HydrophobicContact CE1-CG 3.31Å; Y167-R174 HydrophobicContact CE2-CG 4.48Å; Y167-R174 PolarHBondContact OH-NE 3.08Å; Y167-K175 VanDerWaalsContact O-CE 3.26Å; Y167-K175 WeakPolarHBondContact O-CE 3.32Å
168D85.5Confident87.9Confident41 Ų4181.2 Ų81.222%0.21941%0.408CS..EExtended strand (participates in β ladder)trans-82.9102.8167.1-176.8-0.8000109.3Q170 K171 G172 K173 K175D168-Q170 PolarHBondContact O-N 2.88Å; D168-Q170 VanDerWaalsContact O-N 3.11Å; D168-Q170 PolarHBondContact OD1-N 2.65Å; D168-Q170 VanDerWaalsContact OD1-N 3.09Å; D168-K171 HydrophobicContact CB-CB 4.42Å; D168-K171 PolarHBondContact O-N 3.15Å; D168-K171 VanDerWaalsContact O-N 3.15Å; D168-K171 WeakPolarHBondContact OD2-CD 3.45Å; D168-K171 WeakPolarHBondContact OD2-CG 3.23Å; D168-G172 PolarHBondContact O-N 2.85Å; D168-K173 PolarHBondContact N-O 3.02Å; D168-K175 HydrophobicContact CB-CG 4.12Å
169T83.8Confident88Confident144 Ų14482.1 Ų82.188%0.88341%0.407SS*.THydrogen-bonded Turntrans-56.4-25.5-179.4-43.20000113.2Y167Y167-T169 PolarHBondContact O-N 3.39Å
170Q78.7Confident88Confident183 Ų18374.7 Ų74.786%0.85538%0.375SS*.THydrogen-bonded Turntrans-83.4-32.9-180-65.2-173.5-12.800113D168D168-Q170 PolarHBondContact O-N 2.88Å; D168-Q170 VanDerWaalsContact O-N 3.11Å; D168-Q170 PolarHBondContact OD1-N 2.65Å; D168-Q170 VanDerWaalsContact OD1-N 3.09Å
171K79.4Confident87.9Confident157 Ų15774.5 Ų74.568%0.68337%0.374SS*.THydrogen-bonded Turntrans-105.2-9.7-174.1-64.6-176.4-176.3176.60114D168 K173D168-K171 HydrophobicContact CB-CB 4.42Å; D168-K171 PolarHBondContact O-N 3.15Å; D168-K171 VanDerWaalsContact O-N 3.15Å; D168-K171 WeakPolarHBondContact OD2-CD 3.45Å; D168-K171 WeakPolarHBondContact OD2-CG 3.23Å; K171-K173 PolarHBondContact O-N 3.1Å
172G80.3Confident88Confident68 Ų6868 Ų6870%0.70134%0.344SS*.THydrogen-bonded Turntrans65.712.3-175.200000114.1D168D168-G172 PolarHBondContact O-N 2.85Å
173K82.6Confident87.9Confident147 Ų14767.8 Ų67.864%0.63934%0.342SS*.EExtended strand (participates in β ladder)trans-106.8152.6-178.6-65.6-165.7176-163.50110.8D168 K171D168-K173 PolarHBondContact N-O 3.02Å; K171-K173 PolarHBondContact O-N 3.1Å
174R85.4Confident87.6Confident67 Ų6769 Ų6925%0.25335%0.351SS..EExtended strand (participates in β ladder)trans-60.7146.8167.2-70.1-177-172.2148-3.2109.8P143 V145 Y167P143-R174 HydrophobicContact CB-CB 3.79Å; P143-R174 WeakPolarHBondContact O-CD 3.44Å; P143-R174 PolarHBondContact O-NH1 3.44Å; V145-R174 PolarHBondContact O-NH1 3.14Å; Y167-R174 HydrophobicContact CD1-CG 3.76Å; Y167-R174 HydrophobicContact CE1-CG 3.31Å; Y167-R174 HydrophobicContact CE2-CG 4.48Å; Y167-R174 PolarHBondContact OH-NE 3.08Å
175K88.7Confident87.3Confident70 Ų7066.5 Ų66.530%0.30434%0.337SS..  trans-77.6155.7169.9-63.6-177.8-168172.60109.7P166 Y167 D168 Y177P166-K175 HydrophobicContact CB-CD 4.18Å; P166-K175 VanDerWaalsContact O-CB 3.3Å; P166-K175 WeakPolarHBondContact O-CB 3.29Å; P166-K175 VanDerWaalsContact O-CG 3.29Å; P166-K175 WeakPolarHBondContact O-CG 3.36Å; P166-K175 PolarHBondContact O-N 3.28Å; Y167-K175 VanDerWaalsContact O-CE 3.26Å; Y167-K175 WeakPolarHBondContact O-CE 3.32Å; D168-K175 HydrophobicContact CB-CG 4.12Å; K175-Y177 HydrophobicContact CB-CD1 3.84Å; K175-Y177 HydrophobicContact CB-CE1 3.74Å; K175-Y177 HydrophobicContact CD-CD1 4.41Å; K175-Y177 HydrophobicContact CD-CE1 3.47Å; K175-Y177 VanDerWaalsContact CD-CE1 3.47Å; K175-Y177 HydrophobicContact CG-CE1 4.22Å; K175-Y177 PolarHBondContact O-N 3.36Å
176H90.7Very high87.1Confident112 Ų11268.1 Ų68.152%0.51935%0.354SS..SBendtrans-75.832.6177.2-53.392.1000112.8G140 I141 P143G140-H176 PolarHBondContact N-O 3.08Å; I141-H176 WeakPolarHBondContact O-CA 3.47Å; P143-H176 VanDerWaalsContact CD-CD2 3.5Å; P143-H176 WeakPolarHBondContact CD-CD2 3.34Å
177Y92.3Very high87.2Confident69 Ų6967.2 Ų67.227%0.27135%0.348SS..EExtended strand (participates in β ladder)trans-154.6151.7174.572.9-94.8000110.8F137 V138 P166 K175 F179F137-Y177 HydrophobicContact CD2-CD2 4.1Å; F137-Y177 HydrophobicContact CE2-CD1 4.48Å; F137-Y177 AromaticContact CE2-CD2 3.51Å; F137-Y177 HydrophobicContact CE2-CD2 3.51Å; F137-Y177 HydrophobicContact CE2-CE2 4.33Å; F137-Y177 AromaticContact CE2-CG 3.61Å; F137-Y177 HydrophobicContact CE2-CG 3.61Å; F137-Y177 HydrophobicContact CZ-CD2 4.46Å; F137-Y177 HydrophobicContact CZ-CG 4.13Å; V138-Y177 CarbonylContact O-C 3.42Å; V138-Y177 WeakPolarHBondContact O-CA 3.47Å; V138-Y177 WeakPolarHBondContact O-CB 3.35Å; P166-Y177 HydrophobicContact CB-CE2 4.22Å; P166-Y177 HydrophobicContact CG-CD2 4.49Å; P166-Y177 HydrophobicContact CG-CE2 3.74Å; K175-Y177 HydrophobicContact CB-CD1 3.84Å; K175-Y177 HydrophobicContact CB-CE1 3.74Å; K175-Y177 HydrophobicContact CD-CD1 4.41Å; K175-Y177 HydrophobicContact CD-CE1 3.47Å; K175-Y177 VanDerWaalsContact CD-CE1 3.47Å; K175-Y177 HydrophobicContact CG-CE1 4.22Å; K175-Y177 PolarHBondContact O-N 3.36Å; Y177-F179 HydrophobicContact CD2-CE2 4.22Å; Y177-F179 HydrophobicContact CD2-CZ 4.44Å; Y177-F179 AromaticContact CE2-CE2 3.78Å; Y177-F179 HydrophobicContact CE2-CE2 3.78Å; Y177-F179 HydrophobicContact CE2-CZ 4.08Å
178I92.8Very high87.3Confident5 Ų561.2 Ų61.23%0.02633%0.325CS..EExtended strand (participates in β ladder)trans-134.9169.4177.362.2168.6000109.5V138 I141 I150 F154 D164 L165 V180V138-I178 HydrophobicContact CB-CD1 4.25Å; V138-I178 HydrophobicContact CB-CG1 3.7Å; V138-I178 HydrophobicContact CG1-CG1 4.41Å; V138-I178 HydrophobicContact CG2-CD1 4.46Å; V138-I178 HydrophobicContact CG2-CG1 4.23Å; V138-I178 PolarHBondContact N-O 3.05Å; V138-I178 PolarHBondContact O-N 3.42Å; I141-I178 HydrophobicContact CD1-CD1 3.89Å; I141-I178 HydrophobicContact CD1-CG1 4.48Å; I141-I178 HydrophobicContact CG2-CG1 4.43Å; I141-I178 HydrophobicContact CG2-CG2 4.01Å; I150-I178 HydrophobicContact CB-CD1 4.44Å; I150-I178 HydrophobicContact CD1-CD1 4Å; I150-I178 HydrophobicContact CD1-CG2 4.49Å; I150-I178 HydrophobicContact CG1-CD1 4.14Å; I150-I178 HydrophobicContact CG2-CD1 3.42Å; I150-I178 VanDerWaalsContact CG2-CD1 3.42Å; F154-I178 HydrophobicContact CE2-CD1 4.29Å; D164-I178 CarbonylContact O-C 3.49Å; D164-I178 WeakPolarHBondContact O-CA 3.44Å; L165-I178 HydrophobicContact CB-CG2 4.18Å; L165-I178 HydrophobicContact CD2-CG2 3.98Å; L165-I178 HydrophobicContact CG-CB 4.36Å; L165-I178 HydrophobicContact CG-CG2 3.63Å; I178-V180 HydrophobicContact CD1-CG2 3.97Å
179F93.2Very high87.4Confident38 Ų3863 Ų6317%0.16733%0.331CS..EExtended strand (participates in β ladder)trans-122.6143.8162.3-51-92.5000111.1K135 I136 F137 D164 P166 Y177 A209K135-F179 HydrophobicContact CD-CB 4.28Å; K135-F179 HydrophobicContact CG-CB 4.19Å; I136-F179 WeakPolarHBondContact O-CA 3.41Å; I136-F179 WeakPolarHBondContact O-CB 3.46Å; F137-F179 HydrophobicContact CB-CD1 4.03Å; F137-F179 HydrophobicContact CB-CE1 4.11Å; F137-F179 HydrophobicContact CD2-CD1 4.14Å; F137-F179 AromaticContact CD2-CE1 3.69Å; F137-F179 HydrophobicContact CD2-CE1 3.69Å; F137-F179 HydrophobicContact CD2-CZ 4.17Å; F137-F179 HydrophobicContact CG-CE1 4.39Å; D164-F179 HydrophobicContact CB-CB 4.22Å; D164-F179 HydrophobicContact CB-CD2 4.36Å; D164-F179 PolarHBondContact N-O 3.21Å; D164-F179 PolarHBondContact O-N 3.1Å; D164-F179 WeakPolarHBondContact OD2-CD2 3.2Å; P166-F179 HydrophobicContact CG-CD2 4.41Å; P166-F179 HydrophobicContact CG-CE2 4.2Å; Y177-F179 HydrophobicContact CD2-CE2 4.22Å; Y177-F179 HydrophobicContact CD2-CZ 4.44Å; Y177-F179 AromaticContact CE2-CE2 3.78Å; Y177-F179 HydrophobicContact CE2-CE2 3.78Å; Y177-F179 HydrophobicContact CE2-CZ 4.08Å; F179-A209 HydrophobicContact CD1-CB 3.84Å; F179-A209 HydrophobicContact CE1-CB 4.25Å
180V93.1Very high87.8Confident0 Ų062 Ų620%031%0.314CS..EExtended strand (participates in β ladder)trans-122.7122.2178.3-174.50000107.7K135 I136 V138 F154 V160 L163 I178 F182K135-V180 CarbonylContact C-O 3.57Å; K135-V180 WeakPolarHBondContact CA-O 3.32Å; I136-V180 HydrophobicContact CD1-CB 4.04Å; I136-V180 HydrophobicContact CD1-CG2 4.28Å; I136-V180 HydrophobicContact CG1-CB 3.65Å; I136-V180 HydrophobicContact CG1-CG2 4.23Å; I136-V180 WeakPolarHBondContact CG1-O 3.37Å; I136-V180 PolarHBondContact N-O 2.87Å; I136-V180 PolarHBondContact O-N 2.94Å; V138-V180 HydrophobicContact CG2-CG2 4.21Å; F154-V180 HydrophobicContact CB-CG1 4.13Å; F154-V180 HydrophobicContact CD2-CG2 3.78Å; F154-V180 HydrophobicContact CE2-CG2 3.98Å; F154-V180 HydrophobicContact CG-CG1 4.25Å; F154-V180 HydrophobicContact CG-CG2 4.18Å; V160-V180 HydrophobicContact CG1-CG1 3.86Å; V160-V180 HydrophobicContact CG2-CG1 4.05Å; L163-V180 HydrophobicContact CD2-CB 3.95Å; L163-V180 HydrophobicContact CD2-CG1 3.72Å; L163-V180 HydrophobicContact CD2-CG2 3.62Å; I178-V180 HydrophobicContact CD1-CG2 3.97Å; V180-F182 HydrophobicContact CB-CE2 4.44Å; V180-F182 HydrophobicContact CG1-CD2 4.38Å; V180-F182 HydrophobicContact CG1-CE1 4.43Å; V180-F182 HydrophobicContact CG1-CE2 3.94Å; V180-F182 HydrophobicContact CG1-CZ 3.98Å
181S90.9Very high88.4Confident17 Ų1753.3 Ų53.312%0.11927%0.273CS..EExtended strand (participates in β ladder)trans-98.4130.4170.2-48.60000109.1K134 E161 S162K134-S181 CarbonylContact O-C 3.38Å; K134-S181 WeakPolarHBondContact O-CA 3.49Å; E161-S181 PolarHBondContact N-O 2.79Å; S162-S181 PolarHBondContact N-O 2.92Å; S162-S181 PolarHBondContact O-N 2.83Å; S162-S181 WeakPolarHBondContact OG-CB 3.33Å; S162-S181 PolarHBondContact OG-OG 3.31Å
182F92Very high88.9Confident0 Ų047.7 Ų47.70%025%0.25CS..EExtended strand (participates in β ladder)trans-102.4150.9174.3-69.1-83.2000111.6K134 I136 F154 F157 K159 V160 V180 T184 A187 A188 A191K134-F182 WeakPolarHBondContact CB-O 3.39Å; K134-F182 PolarHBondContact O-N 2.69Å; I136-F182 HydrophobicContact CD1-CE2 3.71Å; I136-F182 HydrophobicContact CD1-CZ 4.34Å; I136-F182 HydrophobicContact CG1-CE2 3.92Å; I136-F182 HydrophobicContact CG2-CE2 4.31Å; F154-F182 HydrophobicContact CB-CE1 4.25Å; F154-F182 HydrophobicContact CB-CZ 4Å; F154-F182 HydrophobicContact CD1-CZ 4Å; F154-F182 HydrophobicContact CG-CZ 4.35Å; F154-F182 WeakPolarHBondContact O-CE1 3.18Å; F157-F182 HydrophobicContact CB-CE1 4.27Å; F157-F182 HydrophobicContact CB-CZ 4.29Å; K159-F182 WeakPolarHBondContact O-CA 3.43Å; V160-F182 HydrophobicContact CG2-CD1 4.21Å; V160-F182 HydrophobicContact CG2-CE1 3.9Å; V180-F182 HydrophobicContact CB-CE2 4.44Å; V180-F182 HydrophobicContact CG1-CD2 4.38Å; V180-F182 HydrophobicContact CG1-CE1 4.43Å; V180-F182 HydrophobicContact CG1-CE2 3.94Å; V180-F182 HydrophobicContact CG1-CZ 3.98Å; F182-T184 WeakPolarHBondContact CB-O 3.3Å; F182-T184 PolarHBondContact O-N 2.99Å; F182-A187 HydrophobicContact CB-CB 3.95Å; F182-A187 HydrophobicContact CD1-CB 3.65Å; F182-A187 HydrophobicContact CE1-CB 4.27Å; F182-A187 HydrophobicContact CG-CB 3.85Å; F182-A188 HydrophobicContact CB-CB 4.48Å; F182-A188 HydrophobicContact CD2-CB 3.74Å; F182-A188 HydrophobicContact CE2-CB 4.42Å; F182-A188 HydrophobicContact CG-CB 4.44Å; F182-A191 HydrophobicContact CE2-CB 4.13Å; F182-A191 HydrophobicContact CZ-CB 4.18Å
183S88Confident89.3Confident47 Ų4749.4 Ų49.433%0.32925%0.252SS..SBendtrans-61.1-33.6174.5-169.30000112.8K134 K159K134-S183 PolarHBondContact NZ-O 3.29Å; K159-S183 PolarHBondContact O-N 3.05Å
184T85.3Confident89.6Confident51 Ų5148.4 Ų48.431%0.31325%0.247SC..SBendtrans-122.6148.3-17861.50000111F182 A186 A187F182-T184 WeakPolarHBondContact CB-O 3.3Å; F182-T184 PolarHBondContact O-N 2.99Å; T184-A186 VanDerWaalsContact C-N 3.33Å; T184-A187 PolarHBondContact O-N 2.92Å; T184-A187 WeakPolarHBondContact OG1-CB 3.36Å; T184-A187 PolarHBondContact OG1-N 3.23Å
185E84.5Confident89.6Confident10 Ų1049.7 Ų49.75%0.04726%0.256CS..Hα-helixtrans-72.6-30.3176.6-176.2172138.600111.7N46 L133 K134 A187 A188 K189N46-E185 WeakPolarHBondContact ND2-CB 3.18Å; L133-E185 HydrophobicContact CB-CG 3.81Å; L133-E185 PolarHBondContact N-OE2 3.39Å; L133-E185 VanDerWaalsContact N-OE2 3.08Å; K134-E185 HydrophobicContact CG-CB 4.31Å; E185-A187 VanDerWaalsContact C-N 3.27Å; E185-A187 PolarHBondContact O-N 3.19Å; E185-A188 PolarHBondContact O-N 2.94Å; E185-A188 VanDerWaalsContact O-N 3.15Å; E185-K189 HydrophobicContact CG-CD 4.03Å; E185-K189 HydrophobicContact CG-CG 4.25Å; E185-K189 WeakPolarHBondContact O-CB 3.38Å; E185-K189 PolarHBondContact O-N 3.16Å; E185-K189 WeakPolarHBondContact OE1-CE 3.23Å; E185-K189 IonicContact OE1-NZ 2.65Å; E185-K189 PolarHBondContact OE1-NZ 2.63Å
186A86.3Confident89.7Confident56 Ų5653.9 Ų53.946%0.46327%0.27SS..Hα-helixtrans-55.3-41.1173.600000112.3T184 K190T184-A186 VanDerWaalsContact C-N 3.33Å; A186-K190 VanDerWaalsContact O-CB 3.29Å; A186-K190 WeakPolarHBondContact O-CB 3.49Å; A186-K190 PolarHBondContact O-N 2.96Å
187A90.3Very high89.6Confident4 Ų448.9 Ų48.93%0.03325%0.247CC..Hα-helixtrans-65.7-42.4176.400000112.4F182 T184 E185 K190 A191F182-A187 HydrophobicContact CB-CB 3.95Å; F182-A187 HydrophobicContact CD1-CB 3.65Å; F182-A187 HydrophobicContact CE1-CB 4.27Å; F182-A187 HydrophobicContact CG-CB 3.85Å; T184-A187 PolarHBondContact O-N 2.92Å; T184-A187 WeakPolarHBondContact OG1-CB 3.36Å; T184-A187 PolarHBondContact OG1-N 3.23Å; E185-A187 VanDerWaalsContact C-N 3.27Å; E185-A187 PolarHBondContact O-N 3.19Å; A187-K190 PolarHBondContact O-N 3.23Å; A187-A191 PolarHBondContact O-N 2.95Å
188A89.7Confident89.5Confident0 Ų050.1 Ų50.10%026%0.258CS..Hα-helixtrans-65-45.6175.800000112.2L133 I136 F182 E185 K190 A191 I192L133-A188 WeakPolarHBondContact O-CB 3.17Å; I136-A188 HydrophobicContact CG2-CB 3.87Å; F182-A188 HydrophobicContact CB-CB 4.48Å; F182-A188 HydrophobicContact CD2-CB 3.74Å; F182-A188 HydrophobicContact CE2-CB 4.42Å; F182-A188 HydrophobicContact CG-CB 4.44Å; E185-A188 PolarHBondContact O-N 2.94Å; E185-A188 VanDerWaalsContact O-N 3.15Å; A188-K190 VanDerWaalsContact C-N 3.34Å; A188-K190 PolarHBondContact O-N 2.69Å; A188-A191 WeakPolarHBondContact O-CB 3.45Å; A188-A191 PolarHBondContact O-N 2.95Å; A188-I192 WeakPolarHBondContact O-CD1 3.45Å; A188-I192 VanDerWaalsContact O-CG1 3.31Å; A188-I192 WeakPolarHBondContact O-CG1 3.45Å; A188-I192 PolarHBondContact O-N 2.67Å
189K88.3Confident89.2Confident79 Ų7950.1 Ų50.134%0.34326%0.258SS..Hα-helixtrans-57-44.2172.5-79.6169.5165.3152.60111.5E45 E185 A191 I192 S193E45-K189 IonicContact OE2-NZ 3.01Å; E45-K189 PolarHBondContact OE2-NZ 2.88Å; E185-K189 HydrophobicContact CG-CD 4.03Å; E185-K189 HydrophobicContact CG-CG 4.25Å; E185-K189 WeakPolarHBondContact O-CB 3.38Å; E185-K189 PolarHBondContact O-N 3.16Å; E185-K189 WeakPolarHBondContact OE1-CE 3.23Å; E185-K189 IonicContact OE1-NZ 2.65Å; E185-K189 PolarHBondContact OE1-NZ 2.63Å; K189-A191 VanDerWaalsContact C-N 3.32Å; K189-A191 PolarHBondContact O-N 2.78Å; K189-I192 PolarHBondContact O-N 3.42Å; K189-S193 WeakPolarHBondContact O-CB 3.34Å; K189-S193 PolarHBondContact O-N 3.01Å
190K90.6Very high88.8Confident122 Ų12253.3 Ų53.353%0.5327%0.272SS..Hα-helixtrans-62.8-35.9176.6-165.1-172.4179.5-174.70112.4F157 A186 A187 A188F157-K190 HydrophobicContact CD1-CB 4.38Å; F157-K190 HydrophobicContact CD1-CD 4.38Å; F157-K190 HydrophobicContact CD1-CG 4.06Å; A186-K190 VanDerWaalsContact O-CB 3.29Å; A186-K190 WeakPolarHBondContact O-CB 3.49Å; A186-K190 PolarHBondContact O-N 2.96Å; A187-K190 PolarHBondContact O-N 3.23Å; A188-K190 VanDerWaalsContact C-N 3.34Å; A188-K190 PolarHBondContact O-N 2.69Å
191A90.9Very high88.4Confident0 Ų056.4 Ų56.40%030%0.304CS..Hα-helixtrans-69.9-48.1172.500000111.8I136 F157 F182 A187 A188 K189 S193 K194 Q197 V206I136-A191 HydrophobicContact CD1-CB 3.97Å; F157-A191 HydrophobicContact CB-CB 4.28Å; F157-A191 HydrophobicContact CD1-CB 4.04Å; F157-A191 HydrophobicContact CD2-CB 4.43Å; F157-A191 HydrophobicContact CE1-CB 4.48Å; F157-A191 HydrophobicContact CG-CB 4Å; F182-A191 HydrophobicContact CE2-CB 4.13Å; F182-A191 HydrophobicContact CZ-CB 4.18Å; A187-A191 PolarHBondContact O-N 2.95Å; A188-A191 WeakPolarHBondContact O-CB 3.45Å; A188-A191 PolarHBondContact O-N 2.95Å; K189-A191 VanDerWaalsContact C-N 3.32Å; K189-A191 PolarHBondContact O-N 2.78Å; A191-S193 VanDerWaalsContact C-N 3.25Å; A191-S193 PolarHBondContact O-N 2.91Å; A191-K194 PolarHBondContact O-N 2.96Å; A191-Q197 PolarHBondContact O-NE2 2.88Å; A191-V206 HydrophobicContact CB-CG1 4.47Å
192I90.5Very high88.3Confident39 Ų3960.1 Ų60.120%0.232%0.315CS..Hα-helixtrans-63.1-30.7179.1-63.3156000112.1I136 A188 K189 K194 E195 V206 V208I136-I192 HydrophobicContact CG2-CD1 3.79Å; I136-I192 HydrophobicContact CG2-CG1 3.74Å; A188-I192 WeakPolarHBondContact O-CD1 3.45Å; A188-I192 VanDerWaalsContact O-CG1 3.31Å; A188-I192 WeakPolarHBondContact O-CG1 3.45Å; A188-I192 PolarHBondContact O-N 2.67Å; K189-I192 PolarHBondContact O-N 3.42Å; I192-K194 CarbonylContact O-C 3.58Å; I192-K194 PolarHBondContact O-N 2.88Å; I192-E195 PolarHBondContact O-N 2.96Å; I192-V206 HydrophobicContact CG1-CG1 4.47Å; I192-V208 HydrophobicContact CD1-CB 4.44Å; I192-V208 HydrophobicContact CD1-CG2 3.61Å
193S90Very high88.2Confident104 Ų10466.3 Ų66.373%0.72734%0.344SS*.THydrogen-bonded Turntrans-54.7-24.1177.5-177.90000113.7K189 A191K189-S193 WeakPolarHBondContact O-CB 3.34Å; K189-S193 PolarHBondContact O-N 3.01Å; A191-S193 VanDerWaalsContact C-N 3.25Å; A191-S193 PolarHBondContact O-N 2.91Å
194K87.3Confident88.4Confident127 Ų12764 Ų6455%0.55233%0.328SS*.SBendtrans-104.285.5165.1-62.1178.9-178178.80107.9F157 A191 I192 R196 Q197F157-K194 HydrophobicContact CE1-CD 4.41Å; A191-K194 PolarHBondContact O-N 2.96Å; I192-K194 CarbonylContact O-C 3.58Å; I192-K194 PolarHBondContact O-N 2.88Å; K194-R196 PolarHBondContact O-N 2.97Å; K194-Q197 HydrophobicContact CB-CG 3.81Å; K194-Q197 WeakPolarHBondContact O-CG 3.33Å; K194-Q197 PolarHBondContact O-NE2 2.81Å
195E86.2Confident88.8Confident94 Ų9463.8 Ų63.844%0.43933%0.325SS..SBendtrans-58-32.9-179180174.6-168.600111.5I192 D205 V206 R207I192-E195 PolarHBondContact O-N 2.96Å; E195-D205 CarbonylContact O-C 3.55Å; E195-D205 VanDerWaalsContact O-CA 3.32Å; E195-D205 WeakPolarHBondContact O-CA 3.33Å; E195-V206 PolarHBondContact O-N 3.44Å; E195-R207 IonicContact OE1-CZ 2.71Å; E195-R207 IonicContact OE1-NE 2.7Å; E195-R207 PolarHBondContact OE1-NE 3.4Å; E195-R207 IonicContact OE1-NH2 3Å; E195-R207 PolarHBondContact OE1-NH2 2.85Å
196R90.5Very high89.2Confident158 Ų15863.3 Ų63.360%0.59632%0.323SS*.EExtended strand (participates in β ladder)trans-113.3127.3170.4-72.5-169.8162.1-164.3-1.2111.1K194 C204 D205K194-R196 PolarHBondContact O-N 2.97Å; R196-C204 WeakPolarHBondContact CA-O 3.24Å; R196-D205 WeakPolarHBondContact CG-OD1 3.44Å; R196-D205 IonicContact CZ-OD1 2.67Å; R196-D205 IonicContact NE-OD1 2.69Å; R196-D205 PolarHBondContact NE-OD1 3.09Å; R196-D205 IonicContact NH2-OD1 2.63Å; R196-D205 PolarHBondContact NH2-OD1 2.91Å
197Q89.7Confident89.4Confident6 Ų667 Ų673%0.02833%0.325CS..EExtended strand (participates in β ladder)trans-126.9137.5179.5-54.4-164.620.600109.6Y153 F157 A191 K194 I199 C204 V206Y153-Q197 VanDerWaalsContact CE1-OE1 3.31Å; Y153-Q197 PolarHBondContact OH-OE1 2.8Å; F157-Q197 VanDerWaalsContact CZ-OE1 3.23Å; A191-Q197 PolarHBondContact O-NE2 2.88Å; K194-Q197 HydrophobicContact CB-CG 3.81Å; K194-Q197 WeakPolarHBondContact O-CG 3.33Å; K194-Q197 PolarHBondContact O-NE2 2.81Å; Q197-I199 HydrophobicContact CB-CD1 4.23Å; Q197-I199 HydrophobicContact CB-CG1 4Å; Q197-C204 PolarHBondContact N-O 3.1Å; Q197-C204 PolarHBondContact O-N 3.38Å; Q197-V206 HydrophobicContact CB-CG2 4.41Å; Q197-V206 HydrophobicContact CG-CG2 3.85Å
198D88.8Confident89.3Confident96 Ų9669.5 Ų69.551%0.51334%0.34SS..EExtended strand (participates in β ladder)trans-81.3117.8166.2-160.2-58.9000108.3Y153 G201Y153-D198 PolarHBondContact OH-O 3.37Å; D198-G201 WeakPolarHBondContact OD1-CA 3.38Å; D198-G201 PolarHBondContact OD1-N 3.45Å
199I86.2Confident89.2Confident4 Ų470.3 Ų70.32%0.02135%0.346CS..EExtended strand (participates in β ladder)trans-126.9108.5-178.5-54.1-174000106.5V138 Y153 F154 Q197 G201 R202 C204V138-I199 HydrophobicContact CG1-CD1 4.1Å; Y153-I199 HydrophobicContact CD1-CD1 4.24Å; Y153-I199 HydrophobicContact CD1-CG1 4.38Å; Y153-I199 HydrophobicContact CE1-CD1 3.78Å; Y153-I199 HydrophobicContact CE1-CG1 3.74Å; Y153-I199 HydrophobicContact CE2-CG1 4.43Å; F154-I199 HydrophobicContact CE2-CD1 4.23Å; F154-I199 HydrophobicContact CZ-CD1 3.76Å; Q197-I199 HydrophobicContact CB-CD1 4.23Å; Q197-I199 HydrophobicContact CB-CG1 4Å; I199-G201 VanDerWaalsContact C-N 3.29Å; I199-G201 PolarHBondContact O-N 3.35Å; I199-R202 PolarHBondContact N-O 2.97Å; I199-R202 PolarHBondContact O-N 3.06Å; I199-R202 VanDerWaalsContact O-N 3.15Å; I199-C204 HydrophobicContact CB-CB 4.48Å; I199-C204 HydrophobicContact CD1-CB 3.83Å; I199-C204 HydrophobicContact CG1-CB 4.13Å
200F86.5Confident89Confident106 Ų10669.1 Ų69.147%0.46535%0.345SS..THydrogen-bonded Turntrans5239.4-176.6-56.5-70.9000114.4V145 Q149 R202V145-F200 HydrophobicContact CB-CD2 4.28Å; V145-F200 HydrophobicContact CG1-CD2 3.64Å; V145-F200 HydrophobicContact CG1-CE2 3.65Å; V145-F200 HydrophobicContact CG2-CB 4.01Å; V145-F200 HydrophobicContact CG2-CD2 3.52Å; V145-F200 HydrophobicContact CG2-CE2 4.34Å; V145-F200 HydrophobicContact CG2-CG 3.93Å; Q149-F200 HydrophobicContact CB-CE1 4.49Å; Q149-F200 HydrophobicContact CB-CE2 3.86Å; Q149-F200 HydrophobicContact CB-CZ 3.62Å; Q149-F200 HydrophobicContact CG-CE1 4.46Å; Q149-F200 HydrophobicContact CG-CZ 4.03Å; F200-R202 VanDerWaalsContact C-N 3.35Å
201G84Confident88.4Confident64 Ų6465.4 Ų65.466%0.6633%0.333SS*.THydrogen-bonded Turntrans8210.2177.800000114.4D198 I199D198-G201 WeakPolarHBondContact OD1-CA 3.38Å; D198-G201 PolarHBondContact OD1-N 3.45Å; I199-G201 VanDerWaalsContact C-N 3.29Å; I199-G201 PolarHBondContact O-N 3.35Å
202R88Confident87.7Confident95 Ų9575 Ų7536%0.35837%0.369SS..EExtended strand (participates in β ladder)trans-117.9134.8172-63-169.2-175.1-156.91.4110.5D142 I199 F200 C204D142-R202 IonicContact OD1-CZ 3.68Å; D142-R202 IonicContact OD1-NH1 2.62Å; D142-R202 IonicContact OD1-NH2 2.65Å; D142-R202 PolarHBondContact OD1-NH2 2.92Å; D142-R202 VanDerWaalsContact OD1-NH2 3.08Å; D142-R202 IonicContact OD2-CZ 3.79Å; D142-R202 IonicContact OD2-NE 2.92Å; D142-R202 PolarHBondContact OD2-NE 3.46Å; D142-R202 IonicContact OD2-NH2 3.69Å; D142-R202 PolarHBondContact OD2-NH2 2.91Å; I199-R202 PolarHBondContact N-O 2.97Å; I199-R202 PolarHBondContact O-N 3.06Å; I199-R202 VanDerWaalsContact O-N 3.15Å; F200-R202 VanDerWaalsContact C-N 3.35Å; R202-C204 PolarHBondContact O-N 3.1Å
203Q90.9Very high86.9Confident130 Ų13078 Ų7861%0.60739%0.386SS*.EExtended strand (participates in β ladder)trans-69.6118.3167.4-67.5-166.95.200109.8
204C92.2Very high86.3Confident0 Ų077.5 Ų77.50%037%0.372CS..EExtended strand (participates in β ladder)trans-112.1135.2176.6-62.10000110.1V138 G139 R196 Q197 I199 R202V138-C204 HydrophobicContact CG1-CB 3.98Å; G139-C204 CarbonylContact O-C 3.57Å; G139-C204 WeakPolarHBondContact O-CA 3Å; G139-C204 VanDerWaalsContact O-CB 3.3Å; G139-C204 WeakPolarHBondContact O-CB 3.14Å; R196-C204 WeakPolarHBondContact CA-O 3.24Å; Q197-C204 PolarHBondContact N-O 3.1Å; Q197-C204 PolarHBondContact O-N 3.38Å; I199-C204 HydrophobicContact CB-CB 4.48Å; I199-C204 HydrophobicContact CD1-CB 3.83Å; I199-C204 HydrophobicContact CG1-CB 4.13Å; R202-C204 PolarHBondContact O-N 3.1Å
205D92.5Very high85.7Confident46 Ų4672.8 Ų72.825%0.24636%0.356CS..EExtended strand (participates in β ladder)trans-89.6120.1175.6-60.8-68.5000109.5V138 G139 E195 R196V138-D205 WeakPolarHBondContact CA-O 3.35Å; G139-D205 PolarHBondContact N-O 2.59Å; G139-D205 PolarHBondContact O-N 3.37Å; E195-D205 CarbonylContact O-C 3.55Å; E195-D205 VanDerWaalsContact O-CA 3.32Å; E195-D205 WeakPolarHBondContact O-CA 3.33Å; R196-D205 WeakPolarHBondContact CG-OD1 3.44Å; R196-D205 IonicContact CZ-OD1 2.67Å; R196-D205 IonicContact NE-OD1 2.69Å; R196-D205 PolarHBondContact NE-OD1 3.09Å; R196-D205 IonicContact NH2-OD1 2.63Å; R196-D205 PolarHBondContact NH2-OD1 2.91Å
206V93.2Very high85.5Confident0 Ų072 Ų720%036%0.355CS..EExtended strand (participates in β ladder)trans-107.4122.3-178.6-178.60000110.3I136 F137 V138 A191 I192 E195 Q197I136-V206 HydrophobicContact CB-CG1 4.49Å; I136-V206 HydrophobicContact CD1-CG1 3.77Å; F137-V206 WeakPolarHBondContact O-CA 3.28Å; V138-V206 HydrophobicContact CG1-CG2 4.16Å; V138-V206 HydrophobicContact CG2-CG2 4.23Å; A191-V206 HydrophobicContact CB-CG1 4.47Å; I192-V206 HydrophobicContact CG1-CG1 4.47Å; E195-V206 PolarHBondContact O-N 3.44Å; Q197-V206 HydrophobicContact CB-CG2 4.41Å; Q197-V206 HydrophobicContact CG-CG2 3.85Å
207R90.8Very high85Confident133 Ų13373.3 Ų73.350%0.50236%0.36SS..EExtended strand (participates in β ladder)trans-140.8165.1-174.1-65.4-175.8170.6164.7-1.4111.6I136 F137 E195 A209I136-R207 CarbonylContact C-O 3.56Å; I136-R207 WeakPolarHBondContact CA-O 3.31Å; I136-R207 WeakPolarHBondContact CB-O 3.36Å; F137-R207 PolarHBondContact N-O 3.42Å; F137-R207 PolarHBondContact O-N 3.2Å; E195-R207 IonicContact OE1-CZ 2.71Å; E195-R207 IonicContact OE1-NE 2.7Å; E195-R207 PolarHBondContact OE1-NE 3.4Å; E195-R207 IonicContact OE1-NH2 3Å; E195-R207 PolarHBondContact OE1-NH2 2.85Å; R207-A209 PolarHBondContact O-N 2.98Å
208V89Confident84.3Confident57 Ų5778.1 Ų78.135%0.34538%0.382SS..EExtended strand (participates in β ladder)trans-55.6132.4167.9175.20000109.4L133 I192 V210L133-V208 HydrophobicContact CD2-CG1 3.63Å; L133-V208 HydrophobicContact CD2-CG2 4.49Å; I192-V208 HydrophobicContact CD1-CB 4.44Å; I192-V208 HydrophobicContact CD1-CG2 3.61Å; V208-V210 PolarHBondContact O-N 3.04Å
209A87.9Confident83.8Confident17 Ų1779.8 Ų79.814%0.1439%0.385CS..  trans-71.6114.717400000110.4K135 F179 R207K135-A209 VanDerWaalsContact C-CB 3.5Å; K135-A209 HydrophobicContact CB-CB 3.87Å; K135-A209 HydrophobicContact CD-CB 4.37Å; K135-A209 HydrophobicContact CG-CB 3.69Å; K135-A209 WeakPolarHBondContact O-CB 3.4Å; K135-A209 PolarHBondContact O-N 3.47Å; F179-A209 HydrophobicContact CD1-CB 3.84Å; F179-A209 HydrophobicContact CE1-CB 4.25Å; R207-A209 PolarHBondContact O-N 2.98Å
210V83.1Confident83.3Confident53 Ų5382.1 Ų82.132%0.32141%0.405SS..  trans-72.5130168.51790000108.3V208 Q214 A215V208-V210 PolarHBondContact O-N 3.04Å; V210-Q214 HydrophobicContact CG1-CB 3.63Å; V210-Q214 HydrophobicContact CG1-CG 3.67Å; V210-A215 HydrophobicContact CG1-CB 3.86Å
211T78.4Confident82.7Confident44 Ų4482.2 Ų82.227%0.2741%0.41SS..  trans-61.9155.2177.757.50000111.7E131 D213 Q214 A215E131-T211 VanDerWaalsContact CD-CG2 3.45Å; E131-T211 WeakPolarHBondContact OE1-CG2 3.46Å; E131-T211 WeakPolarHBondContact OE2-CG2 3.24Å; T211-D213 PolarHBondContact O-N 3.36Å; T211-Q214 PolarHBondContact O-N 3.39Å; T211-Q214 VanDerWaalsContact O-N 3.07Å; T211-Q214 WeakPolarHBondContact OG1-CB 3.12Å; T211-Q214 PolarHBondContact OG1-N 3.07Å; T211-A215 WeakPolarHBondContact O-CB 3.06Å; T211-A215 PolarHBondContact O-N 2.93Å
212R76.2Confident82.3Confident203 Ų20386.3 Ų86.377%0.76641%0.409SS*.Hα-helixtrans-56.2-39.2-178.2-172.3175.3179.7178.9-3.1111.8N216R212-N216 VanDerWaalsContact O-CB 3.27Å; R212-N216 WeakPolarHBondContact O-CB 3.14Å; R212-N216 PolarHBondContact O-N 3.4Å; R212-N216 PolarHBondContact O-ND2 2.89Å
213D74.7Confident81.5Confident102 Ų10288.5 Ų88.555%0.54542%0.424SS..Hα-helixtrans-67.6-44.4175.2-69.2-75.8000113T211 A215 N216 R217T211-D213 PolarHBondContact O-N 3.36Å; D213-A215 VanDerWaalsContact C-N 3.35Å; D213-A215 PolarHBondContact O-N 3.43Å; D213-N216 PolarHBondContact O-N 2.99Å; D213-R217 VanDerWaalsContact O-CG 3.28Å; D213-R217 WeakPolarHBondContact O-CG 3.36Å; D213-R217 PolarHBondContact O-N 3.17Å
214Q76Confident80.4Confident93 Ų9389 Ų8944%0.43542%0.42SS..Hα-helixtrans-64.9-39.9176.8-171.3-175.717.800111.4V210 T211 R217 Q218V210-Q214 HydrophobicContact CG1-CB 3.63Å; V210-Q214 HydrophobicContact CG1-CG 3.67Å; T211-Q214 PolarHBondContact O-N 3.39Å; T211-Q214 VanDerWaalsContact O-N 3.07Å; T211-Q214 WeakPolarHBondContact OG1-CB 3.12Å; T211-Q214 PolarHBondContact OG1-N 3.07Å; Q214-R217 PolarHBondContact O-N 2.6Å; Q214-Q218 WeakPolarHBondContact O-CG 3.35Å; Q214-Q218 PolarHBondContact O-N 3.45Å
215A76.1Confident78.9Confident27 Ų2795.3 Ų95.322%0.22345%0.445CS..Hα-helixtrans-67-38175.200000112V210 T211 D213 K219V210-A215 HydrophobicContact CG1-CB 3.86Å; T211-A215 WeakPolarHBondContact O-CB 3.06Å; T211-A215 PolarHBondContact O-N 2.93Å; D213-A215 VanDerWaalsContact C-N 3.35Å; D213-A215 PolarHBondContact O-N 3.43Å; A215-K219 VanDerWaalsContact O-CG 3.3Å; A215-K219 WeakPolarHBondContact O-CG 3.28Å; A215-K219 PolarHBondContact O-N 3.31Å
216N81.6Confident77.4Confident77 Ų7798.3 Ų98.341%0.41246%0.461SS..Hα-helixtrans-67-41.7173.3-77.2-9.6000111.7R212 D213 K219 A220R212-N216 VanDerWaalsContact O-CB 3.27Å; R212-N216 WeakPolarHBondContact O-CB 3.14Å; R212-N216 PolarHBondContact O-N 3.4Å; R212-N216 PolarHBondContact O-ND2 2.89Å; D213-N216 PolarHBondContact O-N 2.99Å; N216-K219 PolarHBondContact O-N 3.5Å; N216-A220 WeakPolarHBondContact O-CB 3.3Å; N216-A220 PolarHBondContact O-N 3Å
217R79.3Confident75.9Confident186 Ų186107.7 Ų107.770%0.70250%0.496SS*.Hα-helixtrans-61.5-43.4174.1-71.3175.6-152.4-173.68111.7D213 Q214 A220 L221D213-R217 VanDerWaalsContact O-CG 3.28Å; D213-R217 WeakPolarHBondContact O-CG 3.36Å; D213-R217 PolarHBondContact O-N 3.17Å; Q214-R217 PolarHBondContact O-N 2.6Å; R217-A220 PolarHBondContact O-N 2.77Å; R217-L221 VanDerWaalsContact O-CB 3.29Å; R217-L221 WeakPolarHBondContact O-CB 3.25Å; R217-L221 PolarHBondContact O-N 3.2Å
218Q75.3Confident74.5Confident107 Ų107105.9 Ų105.950%0.550%0.497SS..Hα-helixtrans-62.9-41.1174.9-73.1176.314.100112.2Q214 L221 K222Q214-Q218 WeakPolarHBondContact O-CG 3.35Å; Q214-Q218 PolarHBondContact O-N 3.45Å; Q218-L221 PolarHBondContact O-N 3.41Å; Q218-K222 WeakPolarHBondContact O-CB 3.36Å; Q218-K222 PolarHBondContact O-N 2.86Å
219K78.1Confident72.7Confident132 Ų132106.1 Ų106.157%0.57450%0.496SS*.Hα-helixtrans-63.3-46.4174.3-75.2171.3-177.8176.80112.2A215 N216 K222 Q223A215-K219 VanDerWaalsContact O-CG 3.3Å; A215-K219 WeakPolarHBondContact O-CG 3.28Å; A215-K219 PolarHBondContact O-N 3.31Å; N216-K219 PolarHBondContact O-N 3.5Å; K219-K222 PolarHBondContact O-N 2.78Å; K219-Q223 WeakPolarHBondContact O-CB 3.35Å; K219-Q223 VanDerWaalsContact O-CG 3.31Å; K219-Q223 WeakPolarHBondContact O-CG 3.32Å; K219-Q223 PolarHBondContact O-N 3.02Å
220A76.2Confident71.1Confident53 Ų53110.1 Ų110.144%0.43852%0.52SS..Hα-helixtrans-62.7-42.3177.300000111.5N216 R217 Q223 W224N216-A220 WeakPolarHBondContact O-CB 3.3Å; N216-A220 PolarHBondContact O-N 3Å; R217-A220 PolarHBondContact O-N 2.77Å; A220-Q223 PolarHBondContact O-N 3.24Å; A220-W224 VanDerWaalsContact O-CB 3.3Å; A220-W224 WeakPolarHBondContact O-CB 3.48Å; A220-W224 PolarHBondContact O-N 2.88Å
221L73.6Confident69.9Low107 Ų107114.6 Ų114.656%0.5654%0.542SS*.Hα-helixtrans-63.9-42.3175.8-172.566.3000111.7R217 Q218 W224 Y225R217-L221 VanDerWaalsContact O-CB 3.29Å; R217-L221 WeakPolarHBondContact O-CB 3.25Å; R217-L221 PolarHBondContact O-N 3.2Å; Q218-L221 PolarHBondContact O-N 3.41Å; L221-W224 HydrophobicContact CD1-CE3 4.25Å; L221-W224 PolarHBondContact O-N 2.96Å; L221-Y225 WeakPolarHBondContact O-CB 3.42Å; L221-Y225 PolarHBondContact O-N 3.15Å
222K74.5Confident68.6Low150 Ų150119.9 Ų119.965%0.65256%0.562SS**Hα-helixtrans-65.8-37.6175.5-172.2168.8-176.3170.40112.4Q218 K219 N226Q218-K222 WeakPolarHBondContact O-CB 3.36Å; Q218-K222 PolarHBondContact O-N 2.86Å; K219-K222 PolarHBondContact O-N 2.78Å; K222-N226 WeakPolarHBondContact O-CB 3.02Å; K222-N226 VanDerWaalsContact O-CG 3.32Å; K222-N226 PolarHBondContact O-N 2.8Å; K222-N226 VanDerWaalsContact O-N 3.08Å; K222-N226 PolarHBondContact O-OD1 2.84Å
223Q71.3Confident67.1Low141 Ų141114.4 Ų114.466%0.65956%0.555SS**Hα-helixtrans-66.6-39.9173.1-75.3171.6-2200112K219 A220 N226 W227K219-Q223 WeakPolarHBondContact O-CB 3.35Å; K219-Q223 VanDerWaalsContact O-CG 3.31Å; K219-Q223 WeakPolarHBondContact O-CG 3.32Å; K219-Q223 PolarHBondContact O-N 3.02Å; A220-Q223 PolarHBondContact O-N 3.24Å; Q223-N226 PolarHBondContact O-N 2.96Å; Q223-W227 PolarHBondContact O-N 3.36Å; Q223-W227 VanDerWaalsContact O-N 3.12Å
224W67.6Low65.4Low140 Ų140119.6 Ų119.653%0.5357%0.568SS.*Hα-helixtrans-67-41.6176.7-175.882.7000112A220 L221 W227 L228A220-W224 VanDerWaalsContact O-CB 3.3Å; A220-W224 WeakPolarHBondContact O-CB 3.48Å; A220-W224 PolarHBondContact O-N 2.88Å; L221-W224 HydrophobicContact CD1-CE3 4.25Å; L221-W224 PolarHBondContact O-N 2.96Å; W224-W227 PolarHBondContact O-N 3.07Å; W224-W227 VanDerWaalsContact O-N 3.08Å; W224-L228 HydrophobicContact CD2-CD1 3.6Å; W224-L228 HydrophobicContact CE3-CD1 3.84Å; W224-L228 HydrophobicContact CG-CD1 4.37Å; W224-L228 HydrophobicContact CH2-CD1 3.45Å; W224-L228 VanDerWaalsContact CH2-CD1 3.45Å; W224-L228 HydrophobicContact CZ2-CD1 3.17Å; W224-L228 HydrophobicContact CZ3-CD1 3.76Å; W224-L228 PolarHBondContact O-N 3.28Å
225Y61Low64Low133 Ų133119.4 Ų119.452%0.52258%0.575SS.*Hα-helixtrans-61.5-45.6174.1-136.9-88.5000111.5L221 W227 L228 D229L221-Y225 WeakPolarHBondContact O-CB 3.42Å; L221-Y225 PolarHBondContact O-N 3.15Å; Y225-W227 PolarHBondContact O-N 3.09Å; Y225-L228 PolarHBondContact O-N 3.34Å; Y225-D229 PolarHBondContact O-N 3.42Å; Y225-D229 VanDerWaalsContact O-N 3.08Å
226N62.1Low62.4Low109 Ų109122.1 Ų122.158%0.58361%0.606SS**Hα-helixtrans-65.1-13.7174-75.518.4000114.2K222 Q223K222-N226 WeakPolarHBondContact O-CB 3.02Å; K222-N226 VanDerWaalsContact O-CG 3.32Å; K222-N226 PolarHBondContact O-N 2.8Å; K222-N226 VanDerWaalsContact O-N 3.08Å; K222-N226 PolarHBondContact O-OD1 2.84Å; Q223-N226 PolarHBondContact O-N 2.96Å
227W61.3Low60.5Low197 Ų197128.6 Ų128.675%0.74663%0.626SS**Hα-helixtrans-95-29.3176.7-172.777.2000112.5Q223 W224 Y225Q223-W227 PolarHBondContact O-N 3.36Å; Q223-W227 VanDerWaalsContact O-N 3.12Å; W224-W227 PolarHBondContact O-N 3.07Å; W224-W227 VanDerWaalsContact O-N 3.08Å; Y225-W227 PolarHBondContact O-N 3.09Å
228L61.4Low58.6Low96 Ų96124.1 Ų124.150%0.50363%0.629SS.*Hα-helixtrans-87.2-21.2177.7-85.9158.5000114.4W224 Y225W224-L228 HydrophobicContact CD2-CD1 3.6Å; W224-L228 HydrophobicContact CE3-CD1 3.84Å; W224-L228 HydrophobicContact CG-CD1 4.37Å; W224-L228 HydrophobicContact CH2-CD1 3.45Å; W224-L228 VanDerWaalsContact CH2-CD1 3.45Å; W224-L228 HydrophobicContact CZ2-CD1 3.17Å; W224-L228 HydrophobicContact CZ3-CD1 3.76Å; W224-L228 PolarHBondContact O-N 3.28Å; Y225-L228 PolarHBondContact O-N 3.34Å
229D51.7Low56.5Low62 Ų62130.7 Ų130.733%0.33265%0.651SS.*  trans-123.288.4171.4-160.8-36.5000111.7Y225 N231 F232Y225-D229 PolarHBondContact O-N 3.42Å; Y225-D229 VanDerWaalsContact O-N 3.08Å; D229-N231 PolarHBondContact O-N 3.5Å; D229-N231 WeakPolarHBondContact OD1-CA 3.36Å; D229-N231 WeakPolarHBondContact OD1-CB 3.47Å; D229-N231 PolarHBondContact OD1-N 3.12Å; D229-F232 PolarHBondContact OD1-N 3.32Å; D229-F232 VanDerWaalsContact OD1-N 3.16Å
230P54.6Low54.6Low101 Ų101127.6 Ų127.666%0.65666%0.656SS**THydrogen-bonded Turntrans-69.9-13.1170.9-17.532.1000113.8
231N56.3Low52.7Low146 Ų146131.5 Ų131.578%0.78167%0.67SS**THydrogen-bonded Turntrans-90.5-14.2-167.9-92.91.7000114D229D229-N231 PolarHBondContact O-N 3.5Å; D229-N231 WeakPolarHBondContact OD1-CA 3.36Å; D229-N231 WeakPolarHBondContact OD1-CB 3.47Å; D229-N231 PolarHBondContact OD1-N 3.12Å
232F52.5Low50.9Low156 Ų156134.9 Ų134.968%0.68468%0.68SS**SBendtrans-99.11.9177.2-94.2-83.3000115.9D229D229-F232 PolarHBondContact OD1-N 3.32Å; D229-F232 VanDerWaalsContact OD1-N 3.16Å
233S44.6Very low49Very low88 Ų88132 Ų13262%0.61568%0.684SS**  trans-10473.1174.2-174.30000111.5P235S233-P235 WeakPolarHBondContact O-CD 3.38Å
234Y37.4Very low47.5Very low210 Ų210133.6 Ų133.682%0.82470%0.697SS**  trans-62.4113.1175.6-137.8-91.5000110.4
235P47.4Very low46Very low89 Ų89130.6 Ų130.658%0.57870%0.703SS**  trans-73.4132172.4-8.426.8000107.9S233 Y237S233-P235 WeakPolarHBondContact O-CD 3.38Å; P235-Y237 PolarHBondContact O-N 3.28Å
236G43.1Very low44.9Very low85 Ų85135.1 Ų135.188%0.87672%0.721SS**  trans-60.9102.9179.500000111.8
237Y40.2Very low44Very low212 Ų212136.3 Ų136.383%0.83173%0.734SS**  trans-86.1145.4164.7-88.1-85.1000110.3P235P235-Y237 PolarHBondContact O-N 3.28Å
238A40.2Very low43Very low93 Ų93130.2 Ų130.277%0.76973%0.732SS**  trans-80.8149.1-169.100000113.1
239Y32.3Very low41.9Very low245 Ų245134.6 Ų134.696%0.96175%0.748SS**  trans65.8109.5144.7-137.7-89.9000118.4
240G37.3Very low41.6Very low66 Ų66137 Ų13768%0.6876%0.76SS**  trans130.1112.6153.900000116.7
241D35.4Very low41.5Very low136 Ų136135.4 Ų135.473%0.72775%0.75SS**  trans69.7124.8138.4-81.4-5.1000124.4
242F37.2Very low41.1Very low177 Ų177134.9 Ų134.978%0.77674%0.741SS**  trans58.891.6151.3-54.4-59000121
243A34.5Very low40.5Very low89 Ų89133 Ų13374%0.73674%0.743SS**  21.2118.9125.400000119
244N38.9Very low40.2Very low175 Ų175138.5 Ų138.594%0.93675%0.751SS**  trans-149.8151.6132.5-114.6-69.3000111.7
245A36.2Very low40.1Very low78 Ų78135 Ų13565%0.64575%0.747SS**  trans-101.9128.9-16700000112.4
246Y38.7Very low39.2Very low228 Ų228139.7 Ų139.789%0.89476%0.755SS**  trans-158.2106.9155.9-103.6-76000109.5G248Y246-G248 PolarHBondContact O-N 3.48Å
247P43.4Very low38.9Very low133 Ų133143.7 Ų143.786%0.86474%0.744SS**  trans-86.3100.4171.532.1-28.5000109.2
248G39Very low38.7Very low69 Ų69137.2 Ų137.271%0.71174%0.742SS**  trans-162.4127.717700000113Y246Y246-G248 PolarHBondContact O-N 3.48Å
249F38.7Very low38.3Very low188 Ų188142.9 Ų142.983%0.82575%0.745SS**  trans81.483.5166.5-148.9-100.6000117.7P251F249-P251 HydrophobicContact CD1-CB 4.36Å; F249-P251 HydrophobicContact CD1-CG 4.2Å; F249-P251 HydrophobicContact CE1-CB 3.8Å; F249-P251 HydrophobicContact CE1-CG 3.97Å; F249-P251 HydrophobicContact CZ-CB 4.31Å; F249-P251 WeakPolarHBondContact O-CD 3.37Å
250D45.4Very low38.2Very low112 Ų112137.9 Ų137.960%0.59974%0.735SS**  trans-98.999.4158.666.4-54.2000111.1F252 T253D250-F252 PolarHBondContact O-N 2.87Å; D250-T253 PolarHBondContact OD2-OG1 2.83Å
251P53.3Low38.1Very low69 Ų69145.2 Ų145.245%0.44874%0.744SS.*THydrogen-bonded Turntrans-76.319.1-177.330-34.4000114.5F249F249-P251 HydrophobicContact CD1-CB 4.36Å; F249-P251 HydrophobicContact CD1-CG 4.2Å; F249-P251 HydrophobicContact CE1-CB 3.8Å; F249-P251 HydrophobicContact CE1-CG 3.97Å; F249-P251 HydrophobicContact CZ-CB 4.31Å; F249-P251 WeakPolarHBondContact O-CD 3.37Å
252F46.4Very low38.2Very low135 Ų135149.2 Ų149.259%0.59275%0.75SS**THydrogen-bonded Turntrans-123.33.7-168.9-67.2-65.8000115.9D250 Y254D250-F252 PolarHBondContact O-N 2.87Å; F252-Y254 VanDerWaalsContact C-N 3.28Å; F252-Y254 PolarHBondContact O-N 3.39Å
253T41Very low38.1Very low116 Ų116144.1 Ų144.171%0.71275%0.748SS**  trans-76.379.7167.7-65.60000109.9D250D250-T253 PolarHBondContact OD2-OG1 2.83Å
254Y38.5Very low38.2Very low203 Ų203147.9 Ų147.980%0.79676%0.755SS**  trans-114.398.4-178.1-147.3-88.6000113.9F252F252-Y254 VanDerWaalsContact C-N 3.28Å; F252-Y254 PolarHBondContact O-N 3.39Å
255N34Very low37.9Very low137 Ų137143.8 Ų143.873%0.73375%0.746SS**  trans28.4108.1152.8-77.3-22.5000120
256Y30.4Very low37.9Very low188 Ų188145.2 Ų145.274%0.73776%0.758SS**SBendtrans-90.4130.1154.5-173.5-133.9000108.8
257Y36.2Very low37.9Very low169 Ų169139.5 Ų139.566%0.66376%0.757SS**  trans6297.1-177.9-62.2-60.9000118.7
258G34.8Very low37.5Very low76 Ų76138 Ų13878%0.78476%0.757SS**  trans-87.4117.3153.500000110.8
259Y32.6Very low37.4Very low212 Ų212139.8 Ų139.883%0.83176%0.764SS**  trans-100.1128.1162.7-120.3-92.5000108Y261Y259-Y261 PolarHBondContact O-N 3.34Å
260D29.9Very low37.6Very low139 Ų139135.9 Ų135.974%0.74377%0.767SS**  trans-80.6111.6177.5-34.9-70.3000109.5
261Y36.1Very low37.2Very low221 Ų221134.6 Ų134.687%0.86777%0.772SS**  trans-143.7154.7163.1-147.8-100.3000112Y259Y259-Y261 PolarHBondContact O-N 3.34Å
262Y35.9Very low36.6Very low220 Ų220138.5 Ų138.586%0.86380%0.795SS**  trans-64.6141.6-166.6-88.6-113.1000114.7
263G36.9Very low36.3Very low70 Ų70135.7 Ų135.772%0.72280%0.803SS**  105103.3126.100000119.8
264N35.2Very low36.1Very low167 Ų167141.6 Ų141.689%0.89381%0.814SS**  trans81.5141.8132.2-135.4-10.2000121.4
265A32.9Very low36.1Very low90 Ų90135.2 Ų135.274%0.74481%0.81SS**  trans56.385.1155.400000121.4
266A36.5Very low36Very low108 Ų108132.9 Ų132.989%0.89381%0.81SS**  trans-160.764.9152.700000114
267A38.2Very low36.4Very low107 Ų107135.2 Ų135.288%0.88482%0.819SS**  trans-142.953174.500000112.5
268A35.3Very low36.4Very low103 Ų103132 Ų13285%0.85182%0.821SS**  trans-14757.9-177.300000112.7
269A37.2Very low36.5Very low105 Ų105136.8 Ų136.887%0.86883%0.829SS**  trans-163.561.9172.400000114
270A42.8Very low36.6Very low106 Ų106134.9 Ų134.988%0.87683%0.832SS**  trans-153.669.3164.600000110.1
271A37.3Very low36.8Very low86 Ų86132.8 Ų132.871%0.71183%0.834SS**  trans-80.3165.4179.600000112.6
272T39.7Very low36.8Very low151 Ų151126.3 Ų126.393%0.92683%0.826SS**  trans95.2115166.971.80000116.5
273G41Very low37Very low75 Ų75122.7 Ų122.777%0.77382%0.822SS**  trans165.917.6179.600000121.1
274Y35.7Very low36.8Very low241 Ų241128.3 Ų128.395%0.94583%0.829SS**  trans60.7131.8161.7-98.2-96.9000122.2
275G39.4Very low36.9Very low68 Ų68129.9 Ų129.970%0.70183%0.829SS**  trans75.289.4150.200000117.2
276A32.6Very low37Very low89 Ų89130.9 Ų130.974%0.73683%0.829SS**  52.596.764.100000114.8
277Y38.4Very low37Very low237 Ų237129.1 Ų129.193%0.92982%0.821SS**  -167.8134.3114.5-98.4-68.3000111.1
278S36.3Very low37Very low101 Ų101129.3 Ų129.371%0.70681%0.811SS**  trans-88.6137.5175.8530000111.7
279N36.9Very low37.4Very low176 Ų176132.3 Ų132.394%0.94181%0.811SS**  trans-163.6151.2136.6-109.5-54.1000112.5
280L33.7Very low37.4Very low173 Ų173133.8 Ų133.891%0.90680%0.804SS**  trans-118104-167.1-175.879.1000109.8
281A35.1Very low37.3Very low94 Ų94134 Ų13478%0.77780%0.796SS**  trans-165.3156.6173.800000113.2
282A36Very low37.5Very low85 Ų85136.9 Ų136.970%0.70280%0.8SS**  trans66.2142.6157.300000117.9
283N39.6Very low37.6Very low145 Ų145139 Ų13978%0.77580%0.796SS**  cis-153.6126.9-2.8-98.7-17.3000106.7
284Q34.1Very low37.6Very low187 Ų187141.3 Ų141.387%0.87480%0.795SS**  26.29990-66.7-164.719.200115.4
285F37Very low37.6Very low201 Ų201137.1 Ų137.188%0.88279%0.789SS**  trans-129.2102.6155.3-154.4-93000110.2
286C33.8Very low37.6Very low111 Ų111142 Ų14275%0.7579%0.794SS**  trans-93.5119.6173.3-174.60000108.7
287G38Very low37.9Very low70 Ų70143.1 Ų143.172%0.72280%0.796SS**  trans-114.279.8179.500000111.6
288V36.7Very low38.1Very low112 Ų112140.1 Ų140.168%0.67980%0.795SS**  trans-76.1134.7174.3-174.60000109.7
289I43.4Very low38.4Very low166 Ų166146 Ų14685%0.85180%0.801SS**  trans-163.1102.4141-93.8143000110.5
290N39Very low38.9Very low135 Ų135143.3 Ų143.372%0.72279%0.791SS**  trans43.3116136.6-146.914.4000122.2
291P40.1Very low39.3Very low110 Ų110141.5 Ų141.571%0.71479%0.79SS**  trans-96.8136.8165.635.7-29.1000112.7
292N41Very low39.8Very low147 Ų147141.9 Ų141.979%0.78679%0.793SS**  trans-169.7161.5155.4-116.8-57.5000114.7
293K42.6Very low40.1Very low196 Ų196142.6 Ų142.685%0.85280%0.799SS**  trans74100.9-170.4-55.9-174.3179.6-177.40113.1
294V39.7Very low40.1Very low124 Ų124140 Ų14075%0.75280%0.798SS**  cis5999.348.8-1670000112.5
295N36.4Very low41Very low153 Ų153137.3 Ų137.382%0.81880%0.796SS**  -153.3147.3114.6-153.91.1000111.9
296Q38.8Very low41.3Very low169 Ų169131.3 Ų131.379%0.7979%0.791SS**  trans-96.1144.3177.1-59.8166.6-4.400109.6
297S39.5Very low41.8Very low113 Ų113130.6 Ų130.679%0.7979%0.794SS**  trans-167.890.8150.238.90000112
298I41.9Very low42.1Very low175 Ų175132 Ų13290%0.89780%0.798SS**  trans-73.9126.4163.2-65.3169.2000107.9
299R42.4Very low42.5Very low224 Ų224132.1 Ų132.185%0.84580%0.799SS**  trans-135.9106.9164.7-79.2-164.1176-1520.2111.7
300T47.9Very low42.5Very low119 Ų119134.4 Ų134.473%0.7380%0.797SS**  trans40.4125.4135.756.90000120.4
301P42.1Very low42.8Very low135 Ų135134.4 Ų134.488%0.87780%0.795SS**  trans-75.8143.5156.133.8-31.6000110.4
302A45.3Very low43.1Very low103 Ų103136.4 Ų136.485%0.85180%0.798SS**  trans-113.6143.4175.800000111.1
303A42.3Very low43.2Very low100 Ų100132.4 Ų132.483%0.82679%0.791SS**  trans-89159.5-176.900000113.3
304A41Very low43.4Very low90 Ų90128.9 Ų128.974%0.74479%0.791SS**  trans-68.6-179.1159.900000110.4
305P51.8Low43.7Very low130 Ų130126.4 Ų126.484%0.84479%0.791SS**  cis-148.4-171.918.143.6-22.2000117.8
306G42.8Very low44.3Very low75 Ų75125 Ų12577%0.77379%0.788SS**  trans107.1147.8161.100000115.2
307A44.4Very low44.7Very low97 Ų97123.7 Ų123.780%0.80279%0.792SS**  cis-164.2160.2-800000110.7
308A45.3Very low44.9Very low99 Ų99121.7 Ų121.782%0.81879%0.789SS**  trans65.2153161.900000116.9
309T44.4Very low45.1Very low115 Ų115119.7 Ų119.771%0.70679%0.785SS**  cis-157.8137.7-3.4-133.30000110.2
310R43.2Very low45.2Very low213 Ų213116.9 Ų116.980%0.80479%0.785SS**  44.7137.2125.3-85.3-174.1-163.6-139.78119.3
311M46.3Very low44.9Very low135 Ų135113.9 Ų113.967%0.66578%0.778SS**  cis-173.6157.833.4-90.5-117.6-90.700113.7
312I46Very low45.4Very low152 Ų152114.4 Ų114.478%0.77978%0.778SS**  trans60.9140.9147.3-59.7159.2000118.2
313G42.3Very low45.2Very low63 Ų63116.8 Ų116.865%0.64978%0.777SS**  cis174.3145-7.300000114.2
314S48Very low45.4Very low123 Ų123117.3 Ų117.386%0.8677%0.772SS**  trans54.1120.8136.562.60000124.6
315G45.6Very low45.7Very low71 Ų71121.6 Ų121.673%0.73278%0.776SS**  trans91.9155.6142.900000117.8
316T49.9Very low45.3Very low125 Ų125124.3 Ų124.377%0.76778%0.778SS**  cis-163.5146.4-13.9-35.90000108.9
317T46.1Very low45.2Very low141 Ų141126.3 Ų126.387%0.86578%0.775SS**  trans40.2133.3153.946.30000122.7
318G42.9Very low45.1Very low71 Ų71130.5 Ų130.573%0.73278%0.778SS**  trans162.475.9153.700000119.3
319T46.2Very low44.8Very low132 Ų132130.4 Ų130.481%0.8177%0.771SS**  trans13.3147.5145.6-3.80000124
320I45.2Very low44.5Very low165 Ų165133.8 Ų133.885%0.84678%0.779SS**  trans88121.2153.5-58.8155.1000118.4
321G42.4Very low44.4Very low56 Ų56130.3 Ų130.358%0.57778%0.782SS**  125.8115.3128.600000119.2
322T51.3Low44.1Very low146 Ų146131.5 Ų131.590%0.89679%0.785SS**  trans67.6116.8147.160.70000121.3
323N41.7Very low44Very low154 Ų154131.7 Ų131.782%0.82479%0.787SS**  trans-67.7165.1147.4-112.8-25.8000109.7
324P47.2Very low44Very low111 Ų111134.3 Ų134.372%0.72179%0.786SS**  cis-145.8176.833.741.3-21.1000118.3
325H46.1Very low43.4Very low180 Ų180139 Ų13983%0.83379%0.786SS**  trans56.199.6150.6-101.619.3000119.8
326Q44.8Very low43.2Very low186 Ų186140.8 Ų140.887%0.86978%0.783SS**  -160.8133.6123.5-113.9174.220.500113.9
327T40Very low42.9Very low118 Ų118142 Ų14272%0.72479%0.785SS**  trans3.1126.1151.452.30000120.1
328Q41.3Very low42.6Very low185 Ų185143.8 Ų143.886%0.86479%0.788SS**  trans-161.4136.3140.2-119.6160.293.700116
329S40.6Very low42.6Very low96 Ų96147.3 Ų147.367%0.67179%0.789SS**  trans46.8112.914760.10000122.5
330H37.7Very low42.2Very low186 Ų186146.5 Ų146.586%0.86178%0.784SS**  trans-14.1132.7143.8-54.9-92.2000118.5
331T41.3Very low41.9Very low141 Ų141143.7 Ų143.787%0.86578%0.78SS**  trans-138.9116135.639.40000109
332H39.5Very low41.7Very low160 Ų160149.8 Ų149.874%0.74179%0.793SS**  trans-112100.5178.1-163.2-84.3000108.7N334H332-N334 PolarHBondContact CE1-OD1 3.19Å; H332-N334 PolarHBondContact ND1-OD1 3.44Å; H332-N334 PolarHBondContact O-N 2.79Å
333L44.1Very low41.3Very low156 Ų156150.8 Ų150.882%0.81779%0.792SS**  trans-83.991.5177.9-76.5169.2000110.1
334N41.6Very low41.5Very low117 Ų117150.1 Ų150.163%0.62679%0.788SS**  trans-72.8124.9165.5-81.3-13.8000110H332H332-N334 PolarHBondContact CE1-OD1 3.19Å; H332-N334 PolarHBondContact ND1-OD1 3.44Å; H332-N334 PolarHBondContact O-N 2.79Å
335Y36.3Very low41.6Very low222 Ų222150.5 Ų150.587%0.87179%0.791SS**  trans-116.284164.7-105.1-83.8000109.8
336T41.2Very low41.9Very low109 Ų109150.7 Ų150.767%0.66979%0.792SS**  trans-142.1100.3167.642.70000108.9
337N42.8Very low42Very low150 Ų150149.6 Ų149.680%0.80279%0.787SS**  trans166.1122.2144.7-88.5-20.3000109.5
338L40.2Very low42.3Very low178 Ų178150 Ų15093%0.93279%0.789SS**  trans-163.882.1143-106.6163.6000107.1
339L42.6Very low42.4Very low145 Ų145146.7 Ų146.776%0.75978%0.782SS**  trans-72.6136.3167.3-115.974.8000109
340T38.3Very low42.7Very low115 Ų115151.1 Ų151.171%0.70679%0.794SS**  53.4135.6127.6-48.60000121.2
341S39.9Very low43Very low107 Ų107147.7 Ų147.775%0.74879%0.791SS**  trans71.8109.6159.162.20000119.4
342Q36.6Very low43.4Very low183 Ų183145.5 Ų145.586%0.85579%0.787SS**  -136.6127.4111.4-100.9-173.7-91.500109.1
343L44.7Very low43.5Very low167 Ų167141.2 Ų141.287%0.87479%0.786SS**  trans-111.1126.3164.3-79.2166.9000106.2
344D45.8Very low43.7Very low140 Ų140142.6 Ų142.675%0.74979%0.793SS**  trans-84.7137.1169.6-64.6-47.4000110.3
345P49.3Very low43.7Very low120 Ų120143.7 Ų143.778%0.77980%0.799SS**  trans-139.2117.6148.133.2-17.1000112.4
346H52.4Low44.1Very low183 Ų183141.8 Ų141.885%0.84780%0.796SS**  trans-101.2114.1164.4-93.2-82.6000111.2
347H46Very low44.3Very low164 Ų164141.6 Ų141.676%0.75980%0.799SS**  trans45.4118.6139.8-107.1-99.8000119.8
348T47Very low44.3Very low126 Ų126140.8 Ų140.877%0.77380%0.799SS**  -174.3126.693.2-73.40000111.6
349T43.5Very low44.7Very low116 Ų116136.8 Ų136.871%0.71279%0.792SS**  trans-88.1134.4174.1-500000110.8
350M46.4Very low45.1Very low188 Ų188138 Ų13893%0.92679%0.793SS**  trans-142.9149.5148.2-91.8-57.8140.100110.2
351S44.1Very low46.3Very low114 Ų114138.5 Ų138.580%0.79780%0.798SS**  trans-116.2134.5-159.6-176.60000113.2
352A48.3Very low47.1Very low96 Ų96141.8 Ų141.879%0.79380%0.802SS**  trans178.3126.8148.900000106.2
353G41.8Very low47.6Very low70 Ų70139.2 Ų139.272%0.72280%0.801SS**  cis9885.918.900000109.9
354L47.9Very low48Very low184 Ų184135 Ų13596%0.96380%0.797SS**  trans-164.7155.4149.5-103.2171.2000109.3
355D43.2Very low48Very low140 Ų140138 Ų13875%0.74981%0.807SS**  trans-117.9-179.1-153.4-165.11.8000111.9
356F44.6Very low47.8Very low183 Ų183135.4 Ų135.480%0.80380%0.802SS**  trans102.2123155.7-105.4-99.1000121.8
357S45.5Very low47.7Very low105 Ų105135.6 Ų135.673%0.73481%0.805SS**  trans100.485.5139.7-134.90000120.4
358V42.6Very low48.1Very low133 Ų133134 Ų13481%0.80681%0.807SS**  trans-25.7134143.7174.10000115.4
359A49.1Very low48.4Very low93 Ų93132.8 Ų132.877%0.76981%0.809SS**  trans-154.7123.7145.100000111.7
360H49.3Very low48.6Very low172 Ų172131.1 Ų131.180%0.79682%0.815SS**  trans-80155.1166.9-88.249.1000111
361P64.3Low48.7Very low124 Ų124128.4 Ų128.481%0.80582%0.815SS**  trans-106.8124.1149.332.1-22000111.4
362Q57.4Low49Very low177 Ų177126.5 Ų126.583%0.82781%0.813SS**  trans-91.3154.4162.5-82.4-150.8-3.600111
363P47Very low49.3Very low128 Ų128126.7 Ų126.783%0.83182%0.815SS**  trans-81.6128.7173.132.8-32000111.6
364G52.2Low49.6Very low78 Ų78129.9 Ų129.980%0.80482%0.821SS**  trans-121.1147.2179.400000113
365Q47Very low49.9Very low205 Ų205133 Ų13396%0.95882%0.82SS**  trans-91.7158.4-168.2-60.9169-15.500114.3
366G44Very low50.2Low64 Ų64136.2 Ų136.266%0.6683%0.827SS**  trans169.7101.7165.100000110.1
367M51.1Low51.1Low187 Ų187133 Ų13392%0.92183%0.828SS**  67.1137.785.2-71-171.5-175.300114.2
368V54.8Low51.7Low130 Ų130136.6 Ų136.679%0.78883%0.832SS**  cis-167.9159.7-12.4121.50000108.3
369A53.4Low53.2Low101 Ų101135.7 Ų135.784%0.83583%0.829SS**  trans71.9141.6161.600000121.1
370G47.3Very low53.7Low81 Ų81144.1 Ų144.184%0.83585%0.853SS**  trans164.640.617300000116
371S48.2Very low53.9Low132 Ų132142.7 Ų142.792%0.92386%0.855SS**  trans-75.1141.6-175.6-530000114.1
372G51Low53.4Low73 Ų73143.7 Ų143.775%0.75386%0.858SS**  trans170.385.3169.700000112.3
373A54.1Low53.2Low101 Ų101141.8 Ų141.884%0.83586%0.86SS**  93.4100.385.500000113.5
374T47.8Very low53.5Low137 Ų137142.6 Ų142.684%0.8486%0.861SS**  trans-34.6143.5164.847.90000116.7
375R53.3Low53.6Low250 Ų250146.7 Ų146.794%0.94387%0.865SS**  trans-152.8126.6140-110.8169.8-157.5-143.93.2113.1
376F49.4Very low54.1Low206 Ų206142.8 Ų142.890%0.90486%0.859SS**  trans-80.7145.1164-97.5-110.7000110.1
377S64Low54.8Low116 Ų116148.4 Ų148.481%0.81187%0.873SS**  trans-165.4115.415149.30000111.4
378H57.6Low55.1Low180 Ų180145.5 Ų145.583%0.83387%0.869SS**  trans-78.5150.5164.2-113.368.8000110
379P76.1Confident55.1Low114 Ų114146.8 Ų146.874%0.7488%0.876SS**  trans-88.3170.3152.935.5-28.8000111.6
380Q59.1Low55.3Low270 Ų270150.9 Ų150.9100%1.26288%0.88SS**  trans-73.10177.2-68.1-174.3-24.400113.4

Retrieved 380 of 380 residues in 75 ms (Link to these results)