A0A077Z9E3_TRITR Loading...

RNA binding protein squid

AlphaFold DB , UniProt , Accession A0A077Z9E3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 319 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
1M42.1Very low48.2Very low240 Ų240154.7 Ų154.7100%1.18282%0.817SS**  0104.70-59.4162.1-18000106.5
2S48Very low47.5Very low102 Ų102152.6 Ų152.671%0.71381%0.814SS**  cis-143.9150.3-11.6-66.70000107.2
3Q44.4Very low47.4Very low201 Ų201152.2 Ų152.294%0.93981%0.812SS**  trans-106107.4173.2-80-178.9-40.800108
4D58.1Low46.7Very low154 Ų154153.9 Ų153.982%0.82481%0.809SS**  trans-81.8135.4172.3-62.8-58.9000109.6
5F45.3Very low46.1Very low178 Ų178153.5 Ų153.578%0.78181%0.807SS**  trans-117.5119.4-173177.9-86.8000109.5P7F5-P7 HydrophobicContact CE1-CB 4.19Å; F5-P7 HydrophobicContact CE1-CG 4.07Å; F5-P7 HydrophobicContact CZ-CB 4.38Å
6V59.4Low45.9Very low136 Ų136155.8 Ų155.882%0.82481%0.812SS**  trans-136.7116.3175.7-173.40000108.3
7P51.8Low45Very low90 Ų90160.9 Ų160.958%0.58482%0.821SS**  trans-92.4126.9-174.133.3-32.7000113.9F5F5-P7 HydrophobicContact CE1-CB 4.19Å; F5-P7 HydrophobicContact CE1-CG 4.07Å; F5-P7 HydrophobicContact CZ-CB 4.38Å
8E49.1Very low44.7Very low173 Ų173156.2 Ų156.281%0.80882%0.818SS**  52.499.2127.6-156.4161.3-137.200119.3V10E8-V10 HydrophobicContact CG-CG2 4.21Å
9E41.9Very low44.2Very low189 Ų189152.1 Ų152.188%0.88382%0.818SS**  trans-78.9135.9153.5-68.1-171.1133.500110.1
10V45.4Very low43.8Very low124 Ų124152.3 Ų152.375%0.75282%0.818SS**  trans-110.6114.6170.6-179.70000109.4E8E8-V10 HydrophobicContact CG-CG2 4.21Å
11V44.7Very low43.6Very low115 Ų115150 Ų15070%0.69781%0.814SS**  trans-77.9143.1-179.6-179.90000110.6
12V39.3Very low43.4Very low129 Ų129147.5 Ų147.578%0.78280%0.8SS**  trans-100.797.9177.3-177.80000110
13D46.9Very low43Very low148 Ų148150.8 Ų150.879%0.79181%0.808SS**  trans-75.5157.8168.9-84.4-49.5000112.5
14K37.5Very low42.5Very low176 Ų176147.4 Ų147.477%0.76581%0.807SS**  trans-118.6-173.7-174.7-73.5177.8176.91670111.7
15D37.4Very low41.5Very low147 Ų147143.4 Ų143.479%0.78680%0.802SS**  trans85.6167.6159.7-53.3-23.5000117.1
16H42.6Very low41Very low190 Ų190143.3 Ų143.388%0.8881%0.806SS**  trans96.197.1-165.2-58.785.7000115.4
17Y32Very low39.9Very low244 Ų244143.1 Ų143.196%0.95780%0.8SS**  trans-135.7125.5173-150-81.6000107
18G38.3Very low39.1Very low76 Ų76149 Ų14978%0.78481%0.812SS**  trans174.966.3-174.200000119.7
19G36.2Very low38.3Very low78 Ų78144 Ų14480%0.80481%0.807SS**  trans67.4177.9152.900000118.5
20N35.7Very low38.1Very low155 Ų155140.1 Ų140.183%0.82980%0.797SS**  cis-159.2158.5-20.7-160.68.6000109.6
21S39Very low38.1Very low105 Ų105142 Ų14273%0.73480%0.803SS**  trans63.6158.7169.576.50000116.5
22E38.3Very low38Very low187 Ų187143.6 Ų143.687%0.87481%0.808SS**  cis-128.9175.80.6-73.4-174.997.700111.4
23L40.5Very low38.3Very low171 Ų171148.1 Ų148.190%0.89581%0.811SS**  trans-94.5132.8176.6-61.888.9000112.7
24S33.2Very low38.1Very low130 Ų130147.3 Ų147.391%0.90981%0.813SS**  trans-179.7157.9135.644.70000111.2
25G36.2Very low38.5Very low70 Ų70142 Ų14272%0.72279%0.793SS**  trans107.566.2169.100000116.9D27G25-D27 VanDerWaalsContact C-N 3.27Å; G25-D27 PolarHBondContact O-N 2.96Å
26M34.9Very low38.6Very low176 Ų176138 Ų13887%0.86779%0.787SS**  trans-73.781.8156.9-79.777.4172.900109.8
27D37Very low38.8Very low132 Ų132138.5 Ų138.571%0.70678%0.781SS**  trans-90.1143.5169.2-174.732.7000111.7G25G25-D27 VanDerWaalsContact C-N 3.27Å; G25-D27 PolarHBondContact O-N 2.96Å
28Y34.3Very low39.5Very low213 Ų213132.1 Ų132.184%0.83576%0.758SS**  trans-104.6109.3-167.9-77.4-103.1000112.3
29G32.8Very low40Very low68 Ų68133.7 Ų133.770%0.70175%0.753SS**  trans99.931.215200000118N31G29-N31 PolarHBondContact O-N 3.39Å
30T37.7Very low40.8Very low109 Ų109136.3 Ų136.367%0.66974%0.742SS**  trans-76.9101.6166.747.40000111.3N32T30-N32 PolarHBondContact O-N 2.7Å
31N46.2Very low41.9Very low162 Ų162131 Ų13187%0.86671%0.713SS**  trans-70.319.3178.6-86.2-31.2000115.1G29 R33G29-N31 PolarHBondContact O-N 3.39Å; N31-R33 PolarHBondContact O-N 2.84Å
32N41.3Very low43.2Very low150 Ų150129.3 Ų129.380%0.80269%0.694SS**  trans-91.463.3176.4-77.6-12.5000111.3T30 P34T30-N32 PolarHBondContact O-N 2.7Å; N32-P34 WeakPolarHBondContact O-CD 2.99Å
33R45.8Very low44.9Very low224 Ų224126.3 Ų126.385%0.84568%0.68SS**  trans-75.2120.7157.2-86.7-177.1167.4160.2-2108.2N31 D35N31-R33 PolarHBondContact O-N 2.84Å; R33-D35 PolarHBondContact O-N 3.37Å
34P43.2Very low47Very low130 Ų130121.3 Ų121.384%0.84465%0.649SS**  trans-71.484.6172.629.9-33.4000108.6N32 G36N32-P34 WeakPolarHBondContact O-CD 2.99Å; P34-G36 PolarHBondContact O-N 2.77Å
35D45.8Very low49.7Very low64 Ų64116.7 Ų116.734%0.34261%0.613SS.*  trans-82.780.1-166.9-168.47.7000112R33 R37 K38R33-D35 PolarHBondContact O-N 3.37Å; D35-R37 PolarHBondContact O-N 3.43Å; D35-R37 VanDerWaalsContact OD1-CB 3.25Å; D35-R37 WeakPolarHBondContact OD1-CB 3.5Å; D35-R37 WeakPolarHBondContact OD1-CD 3.49Å; D35-R37 VanDerWaalsContact OD1-CG 3.25Å; D35-R37 WeakPolarHBondContact OD1-CG 3.28Å; D35-R37 PolarHBondContact OD1-N 2.75Å; D35-K38 HydrophobicContact CB-CD 3.99Å; D35-K38 HydrophobicContact CB-CG 4.05Å; D35-K38 WeakPolarHBondContact O-CB 3.17Å; D35-K38 PolarHBondContact O-N 3.16Å; D35-K38 WeakPolarHBondContact OD2-CE 3.27Å
36G40.1Very low52.3Low64 Ų64113.4 Ų113.466%0.6658%0.579SS**THydrogen-bonded Turntrans-60.26.1174.300000115.4P34P34-G36 PolarHBondContact O-N 2.77Å
37R47Very low54.9Low201 Ų201107.4 Ų107.476%0.75855%0.548SS*.THydrogen-bonded Turntrans-85.9-20.6168.2-52.3172.1-175.8-176.10.3112.5D35D35-R37 PolarHBondContact O-N 3.43Å; D35-R37 VanDerWaalsContact OD1-CB 3.25Å; D35-R37 WeakPolarHBondContact OD1-CB 3.5Å; D35-R37 WeakPolarHBondContact OD1-CD 3.49Å; D35-R37 VanDerWaalsContact OD1-CG 3.25Å; D35-R37 WeakPolarHBondContact OD1-CG 3.28Å; D35-R37 PolarHBondContact OD1-N 2.75Å
38K47Very low57.5Low109 Ų109101.1 Ų101.147%0.47451%0.514SS..SBendtrans-74.8-45.1-169.2-71.5-177.8179.8176.30114.1D35 K40 N41D35-K38 HydrophobicContact CB-CD 3.99Å; D35-K38 HydrophobicContact CB-CG 4.05Å; D35-K38 WeakPolarHBondContact O-CB 3.17Å; D35-K38 PolarHBondContact O-N 3.16Å; D35-K38 WeakPolarHBondContact OD2-CE 3.27Å; K38-K40 VanDerWaalsContact C-N 3.34Å; K38-K40 PolarHBondContact O-N 3.13Å; K38-N41 WeakPolarHBondContact O-CB 3.42Å; K38-N41 PolarHBondContact O-N 3.07Å
39T48.2Very low60.2Low109 Ų10991.1 Ų91.167%0.66948%0.476SS*.Hα-helixtrans-57.5-48177.949.10000111.1N41 E42T39-N41 PolarHBondContact O-N 2.77Å; T39-E42 PolarHBondContact O-N 3.3Å
40K52.2Low62.8Low134 Ų13489.2 Ų89.258%0.58346%0.457SS*.Hα-helixtrans-64.3-2.3173.1-75.6-164.6171.9-170.80115.2K38 R44K38-K40 VanDerWaalsContact C-N 3.34Å; K38-K40 PolarHBondContact O-N 3.13Å; K40-R44 PolarHBondContact O-NE 3.16Å; K40-R44 PolarHBondContact O-NH2 3.42Å
41N59.7Low65.3Low42 Ų4284 Ų8423%0.22543%0.425CS..Hα-helixtrans-96.6-26.4176.3-152.529.3000113.3K38 T39 R44 K45 E91K38-N41 WeakPolarHBondContact O-CB 3.42Å; K38-N41 PolarHBondContact O-N 3.07Å; T39-N41 PolarHBondContact O-N 2.77Å; N41-R44 PolarHBondContact O-N 2.92Å; N41-K45 VanDerWaalsContact O-CB 3.24Å; N41-K45 WeakPolarHBondContact O-CB 3.45Å; N41-K45 PolarHBondContact O-N 2.97Å; N41-E91 PolarHBondContact ND2-OE2 2.87Å; N41-E91 VanDerWaalsContact OD1-CG 3.3Å; N41-E91 WeakPolarHBondContact OD1-CG 3.28Å; N41-E91 PolarHBondContact OD1-OE2 3.19Å
42E66.2Low67.4Low70 Ų7077.4 Ų77.433%0.32739%0.39SS..Hα-helixtrans-67.1-43.1174.1-61.3-145.4128.300111.2T39 R44 K45 S121T39-E42 PolarHBondContact O-N 3.3Å; E42-R44 PolarHBondContact O-N 2.86Å; E42-R44 VanDerWaalsContact O-N 3.08Å; E42-K45 PolarHBondContact O-N 3.45Å; E42-K45 VanDerWaalsContact O-N 3.13Å; E42-S121 WeakPolarHBondContact OE1-CA 3.47Å; E42-S121 WeakPolarHBondContact OE1-CB 3.43Å; E42-S121 PolarHBondContact OE1-N 3.29Å
43E73.7Confident69.6Low124 Ų12476.8 Ų76.858%0.57938%0.376SS*.THydrogen-bonded Turntrans-59.7-20.1174.8-59.6-179.6140.600113.8C98E43-C98 WeakPolarHBondContact O-CB 3.3Å; E43-C98 PolarHBondContact O-SG 3.48Å
44R84.9Confident71.5Confident66 Ų6671.7 Ų71.725%0.24937%0.366CS..THydrogen-bonded Turntrans-1060.2-178.4-72.5-171-68.4148.615.1113.8K40 N41 E42 F92 Q93 A95K40-R44 PolarHBondContact O-NE 3.16Å; K40-R44 PolarHBondContact O-NH2 3.42Å; N41-R44 PolarHBondContact O-N 2.92Å; E42-R44 PolarHBondContact O-N 2.86Å; E42-R44 VanDerWaalsContact O-N 3.08Å; R44-F92 PolarHBondContact O-N 3.15Å; R44-Q93 WeakPolarHBondContact CD-O 3.49Å; R44-Q93 PolarHBondContact NH1-O 3.48Å; R44-A95 HydrophobicContact CG-CB 4.04Å
45K88.7Confident73.6Confident34 Ų3465.5 Ų65.515%0.14833%0.326CS..EExtended strand (participates in β ladder)trans-117130.7-174.2-165.1172.3-177.7169.30110.5N41 E42 F89 V90 E91 A119N41-K45 VanDerWaalsContact O-CB 3.24Å; N41-K45 WeakPolarHBondContact O-CB 3.45Å; N41-K45 PolarHBondContact O-N 2.97Å; E42-K45 PolarHBondContact O-N 3.45Å; E42-K45 VanDerWaalsContact O-N 3.13Å; K45-F89 HydrophobicContact CG-CB 4.45Å; K45-V90 CarbonylContact C-O 3.54Å; K45-V90 WeakPolarHBondContact CA-O 3.21Å; K45-E91 HydrophobicContact CG-CB 4.34Å; K45-A119 VanDerWaalsContact C-CB 3.44Å; K45-A119 HydrophobicContact CB-CB 3.78Å; K45-A119 HydrophobicContact CD-CB 4.25Å; K45-A119 HydrophobicContact CG-CB 3.63Å; K45-A119 WeakPolarHBondContact O-CB 3.45Å; K45-A119 PolarHBondContact O-N 3.46Å
46I90.8Very high75.6Confident0 Ų068.4 Ų68.40%034%0.338CS..EExtended strand (participates in β ladder)trans-108.4146.4173.661.1171000110.9V48 F64 F89 V90 F92 C98 A101 L102 I116I46-V48 HydrophobicContact CD1-CG2 3.79Å; I46-V48 HydrophobicContact CG1-CG2 3.99Å; I46-F64 HydrophobicContact CD1-CD1 3.78Å; I46-F64 HydrophobicContact CD1-CE1 3.44Å; I46-F64 VanDerWaalsContact CD1-CE1 3.44Å; I46-F64 HydrophobicContact CD1-CE2 4.42Å; I46-F64 HydrophobicContact CD1-CG 4.41Å; I46-F64 HydrophobicContact CD1-CZ 3.8Å; I46-F89 VanDerWaalsContact O-CA 3.3Å; I46-F89 WeakPolarHBondContact O-CA 3.48Å; I46-V90 HydrophobicContact CD1-CB 4.15Å; I46-V90 HydrophobicContact CG1-CB 3.76Å; I46-V90 HydrophobicContact CG1-CG1 4.5Å; I46-V90 PolarHBondContact N-O 2.8Å; I46-V90 PolarHBondContact O-N 2.88Å; I46-F92 HydrophobicContact CD1-CE2 3.83Å; I46-F92 HydrophobicContact CD1-CZ 4.23Å; I46-F92 HydrophobicContact CG1-CE2 4.02Å; I46-F92 HydrophobicContact CG2-CE2 4.28Å; I46-C98 WeakPolarHBondContact CG2-SG 3.34Å; I46-A101 HydrophobicContact CD1-CB 4.11Å; I46-L102 HydrophobicContact CG2-CD1 4.42Å; I46-L102 HydrophobicContact CG2-CD2 4.1Å; I46-L102 HydrophobicContact CG2-CG 3.95Å; I46-I116 HydrophobicContact CB-CG2 4.12Å; I46-I116 HydrophobicContact CD1-CG2 3.94Å; I46-I116 HydrophobicContact CG2-CG2 4.21Å
47F90.6Very high78Confident50 Ų5068.3 Ų68.322%0.21932%0.322CS..EExtended strand (participates in β ladder)trans-89.7131.8162.9170.9-87.9000108.3F87 F89 I116 K117F47-F87 HydrophobicContact CD2-CD2 4.14Å; F47-F87 HydrophobicContact CE2-CB 3.8Å; F47-F87 AromaticContact CE2-CD2 3.44Å; F47-F87 HydrophobicContact CE2-CD2 3.44Å; F47-F87 VanDerWaalsContact CE2-CD2 3.44Å; F47-F87 HydrophobicContact CE2-CE2 4.1Å; F47-F87 AromaticContact CE2-CG 3.75Å; F47-F87 HydrophobicContact CE2-CG 3.75Å; F47-F87 HydrophobicContact CZ-CB 3.78Å; F47-F87 HydrophobicContact CZ-CD2 4.24Å; F47-F87 HydrophobicContact CZ-CG 4.09Å; F47-F89 HydrophobicContact CB-CD1 4.3Å; F47-F89 HydrophobicContact CB-CE1 4.13Å; F47-F89 HydrophobicContact CD2-CD1 4.47Å; F47-F89 AromaticContact CD2-CE1 3.87Å; F47-F89 HydrophobicContact CD2-CE1 3.87Å; F47-F89 AromaticContact CD2-CZ 3.97Å; F47-F89 HydrophobicContact CD2-CZ 3.97Å; F47-I116 WeakPolarHBondContact O-CA 3.37Å; F47-K117 HydrophobicContact CB-CB 4.46Å; F47-K117 HydrophobicContact CD1-CB 4.21Å; F47-K117 PolarHBondContact N-O 3.22Å; F47-K117 PolarHBondContact O-N 3.08Å
48V91Very high80.1Confident0 Ų064.1 Ų64.10%031%0.314CS..EExtended strand (participates in β ladder)trans-120.597.7178.5-171.20000107.9I46 I51 F64 F87 A88 V90 V114 E115I46-V48 HydrophobicContact CD1-CG2 3.79Å; I46-V48 HydrophobicContact CG1-CG2 3.99Å; V48-I51 HydrophobicContact CG1-CG2 3.95Å; V48-F64 HydrophobicContact CG1-CE2 4.13Å; V48-F64 HydrophobicContact CG1-CZ 4.07Å; V48-F64 HydrophobicContact CG2-CE2 3.73Å; V48-F64 HydrophobicContact CG2-CZ 3.66Å; V48-F87 CarbonylContact O-C 3.59Å; V48-F87 WeakPolarHBondContact O-CA 3.42Å; V48-F87 WeakPolarHBondContact O-CB 3.31Å; V48-A88 PolarHBondContact N-O 3.35Å; V48-A88 PolarHBondContact O-N 3.45Å; V48-V90 HydrophobicContact CG2-CG2 3.97Å; V48-V114 HydrophobicContact CG1-CB 4.09Å; V48-V114 HydrophobicContact CG1-CG2 3.87Å; V48-E115 CarbonylContact C-O 3.49Å; V48-E115 WeakPolarHBondContact CA-O 3.29Å
49G91Very high82.1Confident4 Ų460.6 Ų60.64%0.04130%0.301CS..EExtended strand (participates in β ladder)trans-93.5156.3179.200000112.4V114 E115G49-V114 CarbonylContact O-C 3.58Å; G49-V114 WeakPolarHBondContact O-CA 3.2Å; G49-V114 VanDerWaalsContact O-CB 3.28Å; G49-V114 WeakPolarHBondContact O-CB 3.46Å; G49-E115 PolarHBondContact N-O 2.64Å; G49-E115 PolarHBondContact O-N 3.04Å
50G88.1Confident84.1Confident28 Ų2855.4 Ų55.429%0.28927%0.269SS..SBendtrans86.53.5172.700000115.8G86 K112G50-G86 PolarHBondContact N-O 2.71Å; G50-K112 WeakPolarHBondContact O-CD 3.09Å; G50-K112 WeakPolarHBondContact O-CE 3.41Å; G50-K112 PolarHBondContact O-NZ 2.7Å
51I90.7Very high86Confident0 Ų052.2 Ų52.20%026%0.258CS..  trans-55.8163.3176.159.5171000112.9V48 T55 L60 I75 G86 A88 K112 V114V48-I51 HydrophobicContact CG1-CG2 3.95Å; I51-T55 HydrophobicContact CB-CG2 4.19Å; I51-T55 HydrophobicContact CD1-CG2 4.3Å; I51-T55 HydrophobicContact CG2-CG2 4.35Å; I51-L60 HydrophobicContact CG2-CD2 4.17Å; I51-I75 HydrophobicContact CD1-CG1 4.26Å; I51-I75 HydrophobicContact CD1-CG2 4.26Å; I51-G86 VanDerWaalsContact CG1-C 3.4Å; I51-G86 PolarHBondContact N-O 2.69Å; I51-A88 HydrophobicContact CD1-CB 4.14Å; I51-K112 PolarHBondContact O-NZ 2.92Å; I51-V114 HydrophobicContact CG2-CG1 3.89Å
52T88.4Confident87.4Confident22 Ų2257.6 Ų57.614%0.13528%0.282CS..  trans-73.216417165.70000110.3D54 T55 K110 K112T52-D54 PolarHBondContact O-N 2.77Å; T52-T55 PolarHBondContact N-OG1 3.49Å; T52-T55 PolarHBondContact O-N 2.85Å; T52-T55 PolarHBondContact O-OG1 3.27Å; T52-T55 PolarHBondContact OG1-N 3.07Å; T52-T55 VanDerWaalsContact OG1-N 3.16Å; T52-T55 PolarHBondContact OG1-OG1 3.44Å; T52-K110 HydrophobicContact CG2-CB 4.27Å; T52-K112 HydrophobicContact CG2-CB 3.95Å; T52-K112 HydrophobicContact CG2-CD 3.81Å
53W87.8Confident88.4Confident137 Ų13757.7 Ų57.752%0.51928%0.279SS..THydrogen-bonded Turntrans-70.1-23.8174.3-64.9-41.5000112.3R83 S84W53-R83 HydrophobicContact CB-CG 4.48Å; W53-R83 HydrophobicContact CD2-CG 4.36Å; W53-R83 HydrophobicContact CG-CG 4.08Å; W53-R83 VanDerWaalsContact CZ3-CZ 3.44Å; W53-S84 PolarHBondContact NE1-O 2.72Å
54D86.6Confident89.2Confident117 Ų11751.8 Ų51.863%0.62625%0.252SS*.THydrogen-bonded Turntrans-9917.5-177.5-22.2-83.7000111.4T52 K110T52-D54 PolarHBondContact O-N 2.77Å; D54-K110 PolarHBondContact O-NZ 3.27Å
55T87.1Confident89.4Confident1 Ų151.4 Ų51.41%0.00626%0.259CS..  trans-83.2126.5166-600000108I51 T52 D59 L60 I75 I109I51-T55 HydrophobicContact CB-CG2 4.19Å; I51-T55 HydrophobicContact CD1-CG2 4.3Å; I51-T55 HydrophobicContact CG2-CG2 4.35Å; T52-T55 PolarHBondContact N-OG1 3.49Å; T52-T55 PolarHBondContact O-N 2.85Å; T52-T55 PolarHBondContact O-OG1 3.27Å; T52-T55 PolarHBondContact OG1-N 3.07Å; T52-T55 VanDerWaalsContact OG1-N 3.16Å; T52-T55 PolarHBondContact OG1-OG1 3.44Å; T55-D59 WeakPolarHBondContact CA-OD2 3.33Å; T55-D59 HydrophobicContact CG2-CB 4.04Å; T55-L60 HydrophobicContact CG2-CD1 4.31Å; T55-L60 HydrophobicContact CG2-CD2 3.9Å; T55-L60 HydrophobicContact CG2-CG 3.88Å; T55-I75 VanDerWaalsContact O-CD1 3.27Å; T55-I75 WeakPolarHBondContact O-CD1 3.48Å; T55-I109 HydrophobicContact CG2-CG2 4.4Å
56E88.2Confident89.5Confident125 Ų12555 Ų5558%0.58429%0.285SS*.  trans-106.6173.9176.7-60.9-166.8158.600110.7D58 D59E56-D58 PolarHBondContact O-N 3.14Å; E56-D59 PolarHBondContact N-OD2 3.42Å; E56-D59 PolarHBondContact O-N 3.22Å
57N90.4Very high89.3Confident61 Ų6156.7 Ų56.733%0.32629%0.292SS..Hα-helixtrans-62.6-34.7-177.4-57.8-56.2000111.1L60 I61 V73N57-L60 WeakPolarHBondContact O-CB 3.26Å; N57-L60 PolarHBondContact O-N 3.15Å; N57-L60 VanDerWaalsContact O-N 3.16Å; N57-I61 WeakPolarHBondContact O-CG1 3.3Å; N57-I61 PolarHBondContact O-N 2.9Å; N57-V73 HydrophobicContact CB-CB 4.26Å; N57-V73 HydrophobicContact CB-CG1 3.98Å
58D90.5Very high89.3Confident113 Ų11355.3 Ų55.360%0.60429%0.292SS*.Hα-helixtrans-69-34.7-176-64.22.2000112.5E56 L60 I61 Q62E56-D58 PolarHBondContact O-N 3.14Å; D58-L60 VanDerWaalsContact C-N 3.26Å; D58-L60 PolarHBondContact O-N 2.81Å; D58-I61 PolarHBondContact O-N 3.46Å; D58-Q62 VanDerWaalsContact O-CB 3.28Å; D58-Q62 WeakPolarHBondContact O-CB 3.37Å; D58-Q62 PolarHBondContact O-N 3.47Å
59D89.6Confident89.3Confident36 Ų3658.6 Ų58.619%0.19331%0.312CS..Hα-helixtrans-58.1-43.3171.1-62.7-70.6000110.9T55 E56 Y63 I109 K110T55-D59 WeakPolarHBondContact CA-OD2 3.33Å; T55-D59 HydrophobicContact CG2-CB 4.04Å; E56-D59 PolarHBondContact N-OD2 3.42Å; E56-D59 PolarHBondContact O-N 3.22Å; D59-Y63 WeakPolarHBondContact O-CB 3.43Å; D59-Y63 PolarHBondContact O-N 2.97Å; D59-I109 HydrophobicContact CB-CG2 4.44Å; D59-K110 WeakPolarHBondContact OD1-CE 3.38Å; D59-K110 IonicContact OD1-NZ 2.96Å; D59-K110 PolarHBondContact OD1-NZ 3.28Å; D59-K110 WeakPolarHBondContact OD2-CE 3.18Å; D59-K110 IonicContact OD2-NZ 2.7Å; D59-K110 PolarHBondContact OD2-NZ 3.39Å
60L90.1Very high89.4Confident0 Ų059.6 Ų59.60%032%0.317CS..Hα-helixtrans-72.6-42.2-178.7-59.6172.8000110.6I51 T55 N57 D58 Y63 F64 V73 I75 A88 V90 I109I51-L60 HydrophobicContact CG2-CD2 4.17Å; T55-L60 HydrophobicContact CG2-CD1 4.31Å; T55-L60 HydrophobicContact CG2-CD2 3.9Å; T55-L60 HydrophobicContact CG2-CG 3.88Å; N57-L60 WeakPolarHBondContact O-CB 3.26Å; N57-L60 PolarHBondContact O-N 3.15Å; N57-L60 VanDerWaalsContact O-N 3.16Å; D58-L60 VanDerWaalsContact C-N 3.26Å; D58-L60 PolarHBondContact O-N 2.81Å; L60-Y63 PolarHBondContact O-N 3.43Å; L60-F64 HydrophobicContact CB-CD2 4.31Å; L60-F64 HydrophobicContact CD2-CE2 4.1Å; L60-F64 WeakPolarHBondContact O-CB 3.22Å; L60-F64 VanDerWaalsContact O-CD2 3.23Å; L60-F64 WeakPolarHBondContact O-CD2 3.47Å; L60-F64 PolarHBondContact O-N 2.59Å; L60-V73 HydrophobicContact CB-CG1 3.94Å; L60-V73 HydrophobicContact CD1-CG1 3.67Å; L60-V73 HydrophobicContact CG-CG1 4.44Å; L60-I75 HydrophobicContact CD1-CD1 3.99Å; L60-I75 HydrophobicContact CD1-CG1 3.67Å; L60-A88 HydrophobicContact CD1-CB 3.54Å; L60-V90 HydrophobicContact CB-CG2 4.39Å; L60-I109 HydrophobicContact CD2-CD1 3.78Å
61I91.1Very high89.5Confident67 Ų6761.1 Ų61.134%0.34432%0.324SS..Hα-helixtrans-59.5-49.7173.8-66.6166.8000109.7N57 D58 Y63 F64 S65 V70 V73N57-I61 WeakPolarHBondContact O-CG1 3.3Å; N57-I61 PolarHBondContact O-N 2.9Å; D58-I61 PolarHBondContact O-N 3.46Å; I61-Y63 PolarHBondContact O-N 2.86Å; I61-F64 PolarHBondContact O-N 3.46Å; I61-S65 WeakPolarHBondContact O-CB 3.28Å; I61-S65 PolarHBondContact O-N 3.2Å; I61-S65 PolarHBondContact O-OG 3.46Å; I61-V70 HydrophobicContact CG1-CG1 4.39Å; I61-V73 HydrophobicContact CD1-CG2 4.34Å; I61-V73 HydrophobicContact CG1-CB 4.33Å; I61-V73 HydrophobicContact CG1-CG2 3.54Å
62Q89.7Confident89.4Confident155 Ų15565.3 Ų65.372%0.72435%0.346SS*.Hα-helixtrans-61.1-44.6-179.3-174.7179.11.200111.6D58D58-Q62 VanDerWaalsContact O-CB 3.28Å; D58-Q62 WeakPolarHBondContact O-CB 3.37Å; D58-Q62 PolarHBondContact O-N 3.47Å
63Y88.4Confident89.5Confident71 Ų7165.1 Ų65.128%0.27835%0.345SS..Hα-helixtrans-66.6-52.7177.8-169.4-90.8000112.1D59 L60 I61 S65 T66 F67 V107 I109D59-Y63 WeakPolarHBondContact O-CB 3.43Å; D59-Y63 PolarHBondContact O-N 2.97Å; L60-Y63 PolarHBondContact O-N 3.43Å; I61-Y63 PolarHBondContact O-N 2.86Å; Y63-S65 PolarHBondContact O-N 3.48Å; Y63-T66 VanDerWaalsContact O-CB 3.26Å; Y63-T66 WeakPolarHBondContact O-CB 3.17Å; Y63-T66 PolarHBondContact O-N 3.02Å; Y63-T66 PolarHBondContact O-OG1 3.18Å; Y63-F67 HydrophobicContact CD1-CE2 4.11Å; Y63-F67 AromaticContact CE1-CE2 3.61Å; Y63-F67 HydrophobicContact CE1-CE2 3.61Å; Y63-F67 HydrophobicContact CE1-CZ 4.05Å; Y63-V107 HydrophobicContact CD1-CG1 4.01Å; Y63-V107 HydrophobicContact CE1-CB 4.3Å; Y63-V107 HydrophobicContact CE1-CG1 3.29Å; Y63-V107 HydrophobicContact CE1-CG2 4.01Å; Y63-V107 HydrophobicContact CE2-CG1 4.16Å; Y63-V107 VanDerWaalsContact CZ-CG1 3.4Å; Y63-I109 HydrophobicContact CD1-CD1 4.22Å; Y63-I109 HydrophobicContact CD2-CG1 4.44Å; Y63-I109 HydrophobicContact CG-CD1 4.18Å; Y63-I109 HydrophobicContact CG-CG1 4.29Å
64F89.4Confident89.5Confident0 Ų062 Ų620%034%0.336CS..Hα-helixtrans-75.7-21.8-171.8-73.8-68.5000114.1I46 V48 L60 I61 T66 F67 V70 V90 F92 A101 I109 I116I46-F64 HydrophobicContact CD1-CD1 3.78Å; I46-F64 HydrophobicContact CD1-CE1 3.44Å; I46-F64 VanDerWaalsContact CD1-CE1 3.44Å; I46-F64 HydrophobicContact CD1-CE2 4.42Å; I46-F64 HydrophobicContact CD1-CG 4.41Å; I46-F64 HydrophobicContact CD1-CZ 3.8Å; V48-F64 HydrophobicContact CG1-CE2 4.13Å; V48-F64 HydrophobicContact CG1-CZ 4.07Å; V48-F64 HydrophobicContact CG2-CE2 3.73Å; V48-F64 HydrophobicContact CG2-CZ 3.66Å; L60-F64 HydrophobicContact CB-CD2 4.31Å; L60-F64 HydrophobicContact CD2-CE2 4.1Å; L60-F64 WeakPolarHBondContact O-CB 3.22Å; L60-F64 VanDerWaalsContact O-CD2 3.23Å; L60-F64 WeakPolarHBondContact O-CD2 3.47Å; L60-F64 PolarHBondContact O-N 2.59Å; I61-F64 PolarHBondContact O-N 3.46Å; F64-T66 PolarHBondContact O-N 3.43Å; F64-F67 AromaticContact CD1-CD2 3.97Å; F64-F67 HydrophobicContact CD1-CD2 3.97Å; F64-F67 HydrophobicContact CD1-CE2 4.12Å; F64-F67 PolarHBondContact O-N 3.24Å; F64-V70 HydrophobicContact CB-CG2 3.88Å; F64-V90 HydrophobicContact CB-CG1 4.1Å; F64-V90 HydrophobicContact CD2-CB 4.44Å; F64-V90 HydrophobicContact CD2-CG1 4.24Å; F64-V90 HydrophobicContact CD2-CG2 3.82Å; F64-V90 HydrophobicContact CE2-CG2 4.08Å; F64-V90 HydrophobicContact CG-CG1 4.19Å; F64-F92 HydrophobicContact CB-CE1 4.07Å; F64-F92 HydrophobicContact CB-CZ 3.95Å; F64-F92 AromaticContact CD1-CZ 3.98Å; F64-F92 HydrophobicContact CD1-CZ 3.98Å; F64-F92 HydrophobicContact CG-CZ 4.26Å; F64-A101 HydrophobicContact CD1-CB 4.29Å; F64-A101 HydrophobicContact CE1-CB 4.35Å; F64-I109 HydrophobicContact CE2-CD1 4.16Å; F64-I116 HydrophobicContact CE1-CD1 3.66Å; F64-I116 HydrophobicContact CE1-CG1 4.3Å; F64-I116 HydrophobicContact CZ-CD1 3.91Å; F64-I116 HydrophobicContact CZ-CG1 4.18Å
65S89.8Confident89.7Confident59 Ų5956.8 Ų56.841%0.41331%0.308SS..THydrogen-bonded Turntrans-59.1-19171.1-63.40000113.2I61 Y63 F67 G68I61-S65 WeakPolarHBondContact O-CB 3.28Å; I61-S65 PolarHBondContact O-N 3.2Å; I61-S65 PolarHBondContact O-OG 3.46Å; Y63-S65 PolarHBondContact O-N 3.48Å; S65-F67 PolarHBondContact O-N 2.88Å; S65-G68 WeakPolarHBondContact CA-O 3.14Å; S65-G68 PolarHBondContact O-N 2.98Å
66T89.7Confident89.7Confident110 Ų11058.9 Ų58.968%0.67532%0.317SS*.THydrogen-bonded Turntrans-62.4-23171.8-43.70000113.3Y63 F64Y63-T66 VanDerWaalsContact O-CB 3.26Å; Y63-T66 WeakPolarHBondContact O-CB 3.17Å; Y63-T66 PolarHBondContact O-N 3.02Å; Y63-T66 PolarHBondContact O-OG1 3.18Å; F64-T66 PolarHBondContact O-N 3.43Å
67F88.1Confident89.6Confident34 Ų3458.2 Ų58.215%0.14931%0.31CS..THydrogen-bonded Turntrans-100.8-19.4-179.8-53.7-79.4000113.6Y63 F64 S65 A97 K100 A101 K104Y63-F67 HydrophobicContact CD1-CE2 4.11Å; Y63-F67 AromaticContact CE1-CE2 3.61Å; Y63-F67 HydrophobicContact CE1-CE2 3.61Å; Y63-F67 HydrophobicContact CE1-CZ 4.05Å; F64-F67 AromaticContact CD1-CD2 3.97Å; F64-F67 HydrophobicContact CD1-CD2 3.97Å; F64-F67 HydrophobicContact CD1-CE2 4.12Å; F64-F67 PolarHBondContact O-N 3.24Å; S65-F67 PolarHBondContact O-N 2.88Å; F67-A97 WeakPolarHBondContact O-CB 3.45Å; F67-K100 HydrophobicContact CB-CB 4.3Å; F67-K100 HydrophobicContact CD1-CB 4.28Å; F67-A101 HydrophobicContact CD2-CB 4.29Å; F67-A101 HydrophobicContact CG-CB 4.25Å; F67-K104 HydrophobicContact CE1-CD 4.4Å; F67-K104 HydrophobicContact CE1-CG 3.62Å; F67-K104 HydrophobicContact CZ-CG 3.86Å
68G89.2Confident89Confident21 Ų2157.5 Ų57.522%0.21631%0.306CS..SBendtrans152173.8-18000000112S65 V70S65-G68 WeakPolarHBondContact CA-O 3.14Å; S65-G68 PolarHBondContact O-N 2.98Å; G68-V70 PolarHBondContact O-N 2.95Å
69T91.7Very high88.3Confident70 Ų7059.6 Ų59.643%0.42931%0.312SS..  trans-64.7121.8-170.1-45.90000112.3F92 Q93T69-F92 WeakPolarHBondContact O-CA 3.2Å; T69-Q93 VanDerWaalsContact CG2-CD 3.41Å; T69-Q93 HydrophobicContact CG2-CG 4.03Å; T69-Q93 PolarHBondContact O-N 2.91Å
70V92.3Very high87.5Confident24 Ų2467.4 Ų67.415%0.14534%0.34CS..EExtended strand (participates in β ladder)trans-79.2123.7174.5-179.70000109.6I61 F64 G68 V73 V90 E91 F92I61-V70 HydrophobicContact CG1-CG1 4.39Å; F64-V70 HydrophobicContact CB-CG2 3.88Å; G68-V70 PolarHBondContact O-N 2.95Å; V70-V73 HydrophobicContact CG1-CG2 3.56Å; V70-V90 HydrophobicContact CG1-CG1 3.86Å; V70-V90 HydrophobicContact CG2-CG1 4.2Å; V70-E91 CarbonylContact C-O 3.58Å; V70-F92 HydrophobicContact CG2-CD1 4.26Å; V70-F92 HydrophobicContact CG2-CE1 4.06Å
71S89.8Confident87.2Confident61 Ų6172.1 Ų72.143%0.42737%0.369SS..EExtended strand (participates in β ladder)trans-79.6-45175.2176.80000111.5E91S71-E91 WeakPolarHBondContact CA-O 3.36Å; S71-E91 WeakPolarHBondContact CB-O 3.27Å; S71-E91 PolarHBondContact N-O 2.83Å; S71-E91 PolarHBondContact OG-OE1 3.37Å
72N88.8Confident86.7Confident88 Ų8878.7 Ų78.747%0.47139%0.389SS..EExtended strand (participates in β ladder)trans-157.5148.6-172.7-165.8-1.2000111.2E91N72-E91 HydrophobicContact CB-CB 3.97Å; N72-E91 PolarHBondContact N-O 2.92Å; N72-E91 PolarHBondContact O-N 2.86Å
73V91Very high86.3Confident18 Ų1877.6 Ų77.611%0.10938%0.379CS..EExtended strand (participates in β ladder)trans-131.8134.9173.1177.70000109.7N57 L60 I61 V70 V90N57-V73 HydrophobicContact CB-CB 4.26Å; N57-V73 HydrophobicContact CB-CG1 3.98Å; L60-V73 HydrophobicContact CB-CG1 3.94Å; L60-V73 HydrophobicContact CD1-CG1 3.67Å; L60-V73 HydrophobicContact CG-CG1 4.44Å; I61-V73 HydrophobicContact CD1-CG2 4.34Å; I61-V73 HydrophobicContact CG1-CB 4.33Å; I61-V73 HydrophobicContact CG1-CG2 3.54Å; V70-V73 HydrophobicContact CG1-CG2 3.56Å; V73-V90 HydrophobicContact CG1-CG2 4.36Å; V73-V90 HydrophobicContact CG2-CG1 4.24Å; V73-V90 HydrophobicContact CG2-CG2 4.18Å
74Q88.6Confident86.1Confident70 Ų7074.5 Ų74.533%0.32737%0.367SS..EExtended strand (participates in β ladder)trans-140.691.2-178-167-173.951.600111.3K76 A88 F89Q74-K76 VanDerWaalsContact CD-NZ 3.33Å; Q74-K76 HydrophobicContact CG-CD 4.39Å; Q74-A88 WeakPolarHBondContact O-CA 3.42Å; Q74-F89 PolarHBondContact N-O 2.82Å; Q74-F89 PolarHBondContact O-N 3.24Å
75I90.3Very high85.9Confident9 Ų982 Ų825%0.04640%0.395CS..EExtended strand (participates in β ladder)trans-64.3133.2163.8-63160.6000108.8I51 T55 L60 Y77 A88I51-I75 HydrophobicContact CD1-CG1 4.26Å; I51-I75 HydrophobicContact CD1-CG2 4.26Å; T55-I75 VanDerWaalsContact O-CD1 3.27Å; T55-I75 WeakPolarHBondContact O-CD1 3.48Å; L60-I75 HydrophobicContact CD1-CD1 3.99Å; L60-I75 HydrophobicContact CD1-CG1 3.67Å; I75-Y77 HydrophobicContact CB-CD2 4.49Å; I75-Y77 HydrophobicContact CB-CE2 3.68Å; I75-Y77 HydrophobicContact CG2-CD2 4.13Å; I75-Y77 HydrophobicContact CG2-CE1 4.16Å; I75-Y77 HydrophobicContact CG2-CE2 3.54Å; I75-Y77 WeakPolarHBondContact O-CD2 3.46Å; I75-A88 HydrophobicContact CB-CB 4.34Å; I75-A88 HydrophobicContact CG1-CB 3.78Å
76K87.2Confident85.8Confident45 Ų4579.8 Ų79.820%0.19638%0.383CS..EExtended strand (participates in β ladder)trans-94.4121.3175.3-61.9-63.8-161.7-177.50109.2Q74 R85 F87 F89 E123Q74-K76 VanDerWaalsContact CD-NZ 3.33Å; Q74-K76 HydrophobicContact CG-CD 4.39Å; K76-R85 VanDerWaalsContact O-CB 3.27Å; K76-R85 WeakPolarHBondContact O-CB 3.23Å; K76-R85 WeakPolarHBondContact O-CG 3.39Å; K76-R85 PolarHBondContact O-N 3.22Å; K76-F87 HydrophobicContact CB-CD2 4.24Å; K76-F87 HydrophobicContact CB-CE2 3.73Å; K76-F87 HydrophobicContact CB-CZ 3.89Å; K76-F87 HydrophobicContact CG-CD2 4.15Å; K76-F87 HydrophobicContact CG-CE2 3.55Å; K76-F87 HydrophobicContact CG-CZ 4.13Å; K76-F87 PolarHBondContact N-O 3.13Å; K76-F87 VanDerWaalsContact N-O 3.13Å; K76-F89 HydrophobicContact CD-CD2 4.46Å; K76-F89 HydrophobicContact CD-CE2 4.44Å; K76-F89 HydrophobicContact CG-CD2 4.14Å; K76-F89 HydrophobicContact CG-CE2 4Å; K76-E123 IonicContact NZ-OE1 3.57Å; K76-E123 PolarHBondContact NZ-OE1 3.32Å
77Y86Confident85.9Confident110 Ų11076.4 Ų76.443%0.43136%0.359SS..EExtended strand (participates in β ladder)trans-98.9153.9176.4-61.6-96000110.8I75 R82 R83I75-Y77 HydrophobicContact CB-CD2 4.49Å; I75-Y77 HydrophobicContact CB-CE2 3.68Å; I75-Y77 HydrophobicContact CG2-CD2 4.13Å; I75-Y77 HydrophobicContact CG2-CE1 4.16Å; I75-Y77 HydrophobicContact CG2-CE2 3.54Å; I75-Y77 WeakPolarHBondContact O-CD2 3.46Å; Y77-R82 WeakPolarHBondContact CD1-O 3.5Å; Y77-R83 CarbonylContact C-O 3.55Å; Y77-R83 WeakPolarHBondContact CA-O 3.39Å
78D78.1Confident86Confident46 Ų4674.8 Ų74.825%0.24635%0.352CS..PPolyproline II helixtrans-71.6135164.3172.128.5000109.2Y80 T81 R82 R83 R85D78-Y80 PolarHBondContact OD1-N 2.93Å; D78-Y80 VanDerWaalsContact OD1-N 3.14Å; D78-T81 VanDerWaalsContact OD2-CB 3.28Å; D78-T81 WeakPolarHBondContact OD2-CB 3.45Å; D78-T81 VanDerWaalsContact OD2-CG2 3.3Å; D78-T81 WeakPolarHBondContact OD2-CG2 3.49Å; D78-T81 PolarHBondContact OD2-N 3.1Å; D78-T81 PolarHBondContact OD2-OG1 2.84Å; D78-R82 WeakPolarHBondContact O-CA 3.35Å; D78-R82 PolarHBondContact O-N 2.85Å; D78-R82 VanDerWaalsContact O-N 3.15Å; D78-R83 PolarHBondContact N-O 2.83Å; D78-R85 HydrophobicContact CB-CG 4.34Å
79H75.1Confident86.1Confident157 Ų15775.1 Ų75.173%0.72735%0.347SS*.THydrogen-bonded Turntrans-68.6-36-179.5-177.862.3000111.9
80Y74Confident86.1Confident201 Ų20171.8 Ų71.879%0.78833%0.326SS*.THydrogen-bonded Turntrans-84.5-51.7-173-56.7-75.7000112.3D78D78-Y80 PolarHBondContact OD1-N 2.93Å; D78-Y80 VanDerWaalsContact OD1-N 3.14Å
81T83Confident86Confident98 Ų9871.9 Ų71.960%0.60133%0.325SS*.THydrogen-bonded Turntrans-85.9-6.6-179.364.10000114.2D78 R83D78-T81 VanDerWaalsContact OD2-CB 3.28Å; D78-T81 WeakPolarHBondContact OD2-CB 3.45Å; D78-T81 VanDerWaalsContact OD2-CG2 3.3Å; D78-T81 WeakPolarHBondContact OD2-CG2 3.49Å; D78-T81 PolarHBondContact OD2-N 3.1Å; D78-T81 PolarHBondContact OD2-OG1 2.84Å; T81-R83 PolarHBondContact O-N 2.96Å; T81-R83 WeakPolarHBondContact OG1-CB 2.89Å; T81-R83 PolarHBondContact OG1-N 3.29Å
82R80.5Confident86.1Confident206 Ų20669 Ų6978%0.77731%0.305SS*.  trans56.95.2-171-67.6-73.9-62.9-154.9-1.9115Y77 D78Y77-R82 WeakPolarHBondContact CD1-O 3.5Å; D78-R82 WeakPolarHBondContact O-CA 3.35Å; D78-R82 PolarHBondContact O-N 2.85Å; D78-R82 VanDerWaalsContact O-N 3.15Å
83R80.8Confident86.1Confident132 Ų13269.7 Ų69.750%0.49831%0.305SS..  trans-76.2146-178.6-157.7176.6-146.4154.99.6111W53 Y77 D78 T81 R85W53-R83 HydrophobicContact CB-CG 4.48Å; W53-R83 HydrophobicContact CD2-CG 4.36Å; W53-R83 HydrophobicContact CG-CG 4.08Å; W53-R83 VanDerWaalsContact CZ3-CZ 3.44Å; Y77-R83 CarbonylContact C-O 3.55Å; Y77-R83 WeakPolarHBondContact CA-O 3.39Å; D78-R83 PolarHBondContact N-O 2.83Å; T81-R83 PolarHBondContact O-N 2.96Å; T81-R83 WeakPolarHBondContact OG1-CB 2.89Å; T81-R83 PolarHBondContact OG1-N 3.29Å; R83-R85 PolarHBondContact O-N 3.2Å
84S85.4Confident86Confident6 Ų672.8 Ų72.84%0.04232%0.322CS..EExtended strand (participates in β ladder)trans-57.4136.9167.9165.70000109.9W53 G86W53-S84 PolarHBondContact NE1-O 2.72Å; S84-G86 PolarHBondContact O-N 2.87Å; S84-G86 PolarHBondContact OG-N 2.79Å
85R84.9Confident85.9Confident156 Ų15671.2 Ų71.259%0.58932%0.321SS*.EExtended strand (participates in β ladder)trans-76.25177.1-63.4-177.165.2179.1-2113.1K76 D78 R83 F87K76-R85 VanDerWaalsContact O-CB 3.27Å; K76-R85 WeakPolarHBondContact O-CB 3.23Å; K76-R85 WeakPolarHBondContact O-CG 3.39Å; K76-R85 PolarHBondContact O-N 3.22Å; D78-R85 HydrophobicContact CB-CG 4.34Å; R83-R85 PolarHBondContact O-N 3.2Å; R85-F87 VanDerWaalsContact C-N 3.3Å; R85-F87 HydrophobicContact CB-CD1 3.71Å; R85-F87 HydrophobicContact CB-CE1 3.49Å; R85-F87 VanDerWaalsContact CB-CE1 3.49Å; R85-F87 HydrophobicContact CB-CZ 4.39Å; R85-F87 HydrophobicContact CG-CE1 4.35Å
86G87.9Confident85.8Confident14 Ų1476.6 Ų76.614%0.14435%0.346CS..EExtended strand (participates in β ladder)trans73.421.2-17600000113.4G50 I51 S84G50-G86 PolarHBondContact N-O 2.71Å; I51-G86 VanDerWaalsContact CG1-C 3.4Å; I51-G86 PolarHBondContact N-O 2.69Å; S84-G86 PolarHBondContact O-N 2.87Å; S84-G86 PolarHBondContact OG-N 2.79Å
87F90.6Very high85.9Confident39 Ų3974.6 Ų74.617%0.17134%0.337CS..EExtended strand (participates in β ladder)trans-150.4155.6171.170.6-90.3000113.2F47 V48 K76 R85 F89F47-F87 HydrophobicContact CD2-CD2 4.14Å; F47-F87 HydrophobicContact CE2-CB 3.8Å; F47-F87 AromaticContact CE2-CD2 3.44Å; F47-F87 HydrophobicContact CE2-CD2 3.44Å; F47-F87 VanDerWaalsContact CE2-CD2 3.44Å; F47-F87 HydrophobicContact CE2-CE2 4.1Å; F47-F87 AromaticContact CE2-CG 3.75Å; F47-F87 HydrophobicContact CE2-CG 3.75Å; F47-F87 HydrophobicContact CZ-CB 3.78Å; F47-F87 HydrophobicContact CZ-CD2 4.24Å; F47-F87 HydrophobicContact CZ-CG 4.09Å; V48-F87 CarbonylContact O-C 3.59Å; V48-F87 WeakPolarHBondContact O-CA 3.42Å; V48-F87 WeakPolarHBondContact O-CB 3.31Å; K76-F87 HydrophobicContact CB-CD2 4.24Å; K76-F87 HydrophobicContact CB-CE2 3.73Å; K76-F87 HydrophobicContact CB-CZ 3.89Å; K76-F87 HydrophobicContact CG-CD2 4.15Å; K76-F87 HydrophobicContact CG-CE2 3.55Å; K76-F87 HydrophobicContact CG-CZ 4.13Å; K76-F87 PolarHBondContact N-O 3.13Å; K76-F87 VanDerWaalsContact N-O 3.13Å; R85-F87 VanDerWaalsContact C-N 3.3Å; R85-F87 HydrophobicContact CB-CD1 3.71Å; R85-F87 HydrophobicContact CB-CE1 3.49Å; R85-F87 VanDerWaalsContact CB-CE1 3.49Å; R85-F87 HydrophobicContact CB-CZ 4.39Å; R85-F87 HydrophobicContact CG-CE1 4.35Å; F87-F89 HydrophobicContact CD2-CE2 4.28Å; F87-F89 AromaticContact CE2-CE2 3.97Å; F87-F89 HydrophobicContact CE2-CE2 3.97Å
88A90.8Very high86Confident0 Ų069.4 Ų69.40%032%0.317CS..EExtended strand (participates in β ladder)trans-136.3167.4177.900000111.6V48 I51 L60 Q74 I75V48-A88 PolarHBondContact N-O 3.35Å; V48-A88 PolarHBondContact O-N 3.45Å; I51-A88 HydrophobicContact CD1-CB 4.14Å; L60-A88 HydrophobicContact CD1-CB 3.54Å; Q74-A88 WeakPolarHBondContact O-CA 3.42Å; I75-A88 HydrophobicContact CB-CB 4.34Å; I75-A88 HydrophobicContact CG1-CB 3.78Å
89F91.4Very high86.5Confident27 Ų2773.6 Ų73.612%0.11834%0.335CS..EExtended strand (participates in β ladder)trans-115.3140.9161.9-63.7-88.6000109.5K45 I46 F47 Q74 K76 F87 A119K45-F89 HydrophobicContact CG-CB 4.45Å; I46-F89 VanDerWaalsContact O-CA 3.3Å; I46-F89 WeakPolarHBondContact O-CA 3.48Å; F47-F89 HydrophobicContact CB-CD1 4.3Å; F47-F89 HydrophobicContact CB-CE1 4.13Å; F47-F89 HydrophobicContact CD2-CD1 4.47Å; F47-F89 AromaticContact CD2-CE1 3.87Å; F47-F89 HydrophobicContact CD2-CE1 3.87Å; F47-F89 AromaticContact CD2-CZ 3.97Å; F47-F89 HydrophobicContact CD2-CZ 3.97Å; Q74-F89 PolarHBondContact N-O 2.82Å; Q74-F89 PolarHBondContact O-N 3.24Å; K76-F89 HydrophobicContact CD-CD2 4.46Å; K76-F89 HydrophobicContact CD-CE2 4.44Å; K76-F89 HydrophobicContact CG-CD2 4.14Å; K76-F89 HydrophobicContact CG-CE2 4Å; F87-F89 HydrophobicContact CD2-CE2 4.28Å; F87-F89 AromaticContact CE2-CE2 3.97Å; F87-F89 HydrophobicContact CE2-CE2 3.97Å; F89-A119 HydrophobicContact CD1-CB 3.73Å; F89-A119 HydrophobicContact CE1-CB 4.01Å
90V91.2Very high87.1Confident0 Ų071 Ų710%032%0.322CS..EExtended strand (participates in β ladder)trans-124.8128.9175.1177.80000107.5K45 I46 V48 L60 F64 V70 V73 F92K45-V90 CarbonylContact C-O 3.54Å; K45-V90 WeakPolarHBondContact CA-O 3.21Å; I46-V90 HydrophobicContact CD1-CB 4.15Å; I46-V90 HydrophobicContact CG1-CB 3.76Å; I46-V90 HydrophobicContact CG1-CG1 4.5Å; I46-V90 PolarHBondContact N-O 2.8Å; I46-V90 PolarHBondContact O-N 2.88Å; V48-V90 HydrophobicContact CG2-CG2 3.97Å; L60-V90 HydrophobicContact CB-CG2 4.39Å; F64-V90 HydrophobicContact CB-CG1 4.1Å; F64-V90 HydrophobicContact CD2-CB 4.44Å; F64-V90 HydrophobicContact CD2-CG1 4.24Å; F64-V90 HydrophobicContact CD2-CG2 3.82Å; F64-V90 HydrophobicContact CE2-CG2 4.08Å; F64-V90 HydrophobicContact CG-CG1 4.19Å; V70-V90 HydrophobicContact CG1-CG1 3.86Å; V70-V90 HydrophobicContact CG2-CG1 4.2Å; V73-V90 HydrophobicContact CG1-CG2 4.36Å; V73-V90 HydrophobicContact CG2-CG1 4.24Å; V73-V90 HydrophobicContact CG2-CG2 4.18Å; V90-F92 HydrophobicContact CG1-CE2 4.35Å; V90-F92 HydrophobicContact CG1-CZ 4.3Å
91E90.4Very high87.8Confident27 Ų2761.4 Ų61.413%0.12628%0.284CS..EExtended strand (participates in β ladder)trans-110.9128.4179.8-171-174.3102.600108.4N41 K45 V70 S71 N72N41-E91 PolarHBondContact ND2-OE2 2.87Å; N41-E91 VanDerWaalsContact OD1-CG 3.3Å; N41-E91 WeakPolarHBondContact OD1-CG 3.28Å; N41-E91 PolarHBondContact OD1-OE2 3.19Å; K45-E91 HydrophobicContact CG-CB 4.34Å; V70-E91 CarbonylContact C-O 3.58Å; S71-E91 WeakPolarHBondContact CA-O 3.36Å; S71-E91 WeakPolarHBondContact CB-O 3.27Å; S71-E91 PolarHBondContact N-O 2.83Å; S71-E91 PolarHBondContact OG-OE1 3.37Å; N72-E91 HydrophobicContact CB-CB 3.97Å; N72-E91 PolarHBondContact N-O 2.92Å; N72-E91 PolarHBondContact O-N 2.86Å
92F91.8Very high88Confident0 Ų059.4 Ų59.40%027%0.269CS..EExtended strand (participates in β ladder)trans-96.7157.2176.2-66.8-82.2000111.5R44 I46 F64 T69 V70 V90 D94 A97 C98 A101R44-F92 PolarHBondContact O-N 3.15Å; I46-F92 HydrophobicContact CD1-CE2 3.83Å; I46-F92 HydrophobicContact CD1-CZ 4.23Å; I46-F92 HydrophobicContact CG1-CE2 4.02Å; I46-F92 HydrophobicContact CG2-CE2 4.28Å; F64-F92 HydrophobicContact CB-CE1 4.07Å; F64-F92 HydrophobicContact CB-CZ 3.95Å; F64-F92 AromaticContact CD1-CZ 3.98Å; F64-F92 HydrophobicContact CD1-CZ 3.98Å; F64-F92 HydrophobicContact CG-CZ 4.26Å; T69-F92 WeakPolarHBondContact O-CA 3.2Å; V70-F92 HydrophobicContact CG2-CD1 4.26Å; V70-F92 HydrophobicContact CG2-CE1 4.06Å; V90-F92 HydrophobicContact CG1-CE2 4.35Å; V90-F92 HydrophobicContact CG1-CZ 4.3Å; F92-D94 VanDerWaalsContact C-N 3.31Å; F92-D94 WeakPolarHBondContact CB-O 3.43Å; F92-A97 HydrophobicContact CB-CB 4Å; F92-A97 HydrophobicContact CD1-CB 3.54Å; F92-A97 HydrophobicContact CE1-CB 4.09Å; F92-A97 HydrophobicContact CG-CB 3.78Å; F92-C98 HydrophobicContact CD2-CB 3.89Å; F92-C98 HydrophobicContact CE2-CB 4.47Å; F92-A101 HydrophobicContact CE2-CB 4.04Å; F92-A101 HydrophobicContact CZ-CB 3.91Å
93Q89.2Confident88.4Confident102 Ų10253.4 Ų53.448%0.47726%0.264SS..SBendtrans-68.3-35.5167.5-65.1-172.7-6.800111.1R44 T69R44-Q93 WeakPolarHBondContact CD-O 3.49Å; R44-Q93 PolarHBondContact NH1-O 3.48Å; T69-Q93 VanDerWaalsContact CG2-CD 3.41Å; T69-Q93 HydrophobicContact CG2-CG 4.03Å; T69-Q93 PolarHBondContact O-N 2.91Å
94D87.9Confident88.5Confident84 Ų8452.3 Ų52.345%0.44926%0.263SS..SBendtrans-114.9140.4-173.4-53.9-63.2000113.4F92 E96 A97 C98F92-D94 VanDerWaalsContact C-N 3.31Å; F92-D94 WeakPolarHBondContact CB-O 3.43Å; D94-E96 VanDerWaalsContact C-N 3.31Å; D94-E96 PolarHBondContact O-N 3.3Å; D94-A97 HydrophobicContact CB-CB 4.36Å; D94-A97 PolarHBondContact O-N 3.11Å; D94-C98 PolarHBondContact O-N 2.82Å
95A87.3Confident87.8Confident37 Ų3761.6 Ų61.631%0.30630%0.302SS..Hα-helixtrans-66.9-31.5175.600000112.4R44 A97 C98 Q99R44-A95 HydrophobicContact CG-CB 4.04Å; A95-A97 VanDerWaalsContact C-N 3.32Å; A95-A97 PolarHBondContact O-N 2.67Å; A95-C98 WeakPolarHBondContact O-CB 3.33Å; A95-C98 PolarHBondContact O-N 3.33Å; A95-Q99 WeakPolarHBondContact O-CG 3.26Å; A95-Q99 PolarHBondContact O-N 2.87Å
96E88.7Confident87.3Confident122 Ų12259.9 Ų59.957%0.5730%0.301SS*.Hα-helixtrans-62-38173.8-71.6-166.9-163.100112.8D94 C98 Q99 K100D94-E96 VanDerWaalsContact C-N 3.31Å; D94-E96 PolarHBondContact O-N 3.3Å; E96-C98 VanDerWaalsContact C-N 3.33Å; E96-Q99 PolarHBondContact O-N 2.93Å; E96-K100 WeakPolarHBondContact O-CB 3.44Å; E96-K100 WeakPolarHBondContact O-CD 3.24Å; E96-K100 WeakPolarHBondContact O-CG 3.3Å; E96-K100 PolarHBondContact O-N 3.47Å; E96-K100 WeakPolarHBondContact OE2-CE 3.45Å; E96-K100 IonicContact OE2-NZ 2.67Å; E96-K100 PolarHBondContact OE2-NZ 2.81Å
97A89Confident87Confident2 Ų259.3 Ų59.32%0.01730%0.295CS..Hα-helixtrans-66-40.3179.500000110.9F67 F92 D94 A95 K100 A101F67-A97 WeakPolarHBondContact O-CB 3.45Å; F92-A97 HydrophobicContact CB-CB 4Å; F92-A97 HydrophobicContact CD1-CB 3.54Å; F92-A97 HydrophobicContact CE1-CB 4.09Å; F92-A97 HydrophobicContact CG-CB 3.78Å; D94-A97 HydrophobicContact CB-CB 4.36Å; D94-A97 PolarHBondContact O-N 3.11Å; A95-A97 VanDerWaalsContact C-N 3.32Å; A95-A97 PolarHBondContact O-N 2.67Å; A97-K100 PolarHBondContact O-N 2.99Å; A97-A101 WeakPolarHBondContact O-CB 3.39Å; A97-A101 PolarHBondContact O-N 3.38Å
98C87.9Confident86.6Confident2 Ų261.4 Ų61.41%0.01431%0.308CS..Hα-helixtrans-58.2-49170.3-174.80000111.7E43 I46 F92 D94 A95 E96 K100 A101 L102E43-C98 WeakPolarHBondContact O-CB 3.3Å; E43-C98 PolarHBondContact O-SG 3.48Å; I46-C98 WeakPolarHBondContact CG2-SG 3.34Å; F92-C98 HydrophobicContact CD2-CB 3.89Å; F92-C98 HydrophobicContact CE2-CB 4.47Å; D94-C98 PolarHBondContact O-N 2.82Å; A95-C98 WeakPolarHBondContact O-CB 3.33Å; A95-C98 PolarHBondContact O-N 3.33Å; E96-C98 VanDerWaalsContact C-N 3.33Å; C98-K100 PolarHBondContact O-N 3.27Å; C98-A101 PolarHBondContact O-N 2.83Å; C98-L102 WeakPolarHBondContact O-CB 3.48Å; C98-L102 VanDerWaalsContact O-CG 3.26Å; C98-L102 WeakPolarHBondContact O-CG 3.46Å; C98-L102 PolarHBondContact O-N 2.95Å
99Q88.2Confident86.1Confident133 Ų13361.8 Ų61.862%0.62131%0.31SS*.Hα-helixtrans-62.6-40.9177-69.31805.900112.9A95 E96 A101 L102 A103A95-Q99 WeakPolarHBondContact O-CG 3.26Å; A95-Q99 PolarHBondContact O-N 2.87Å; E96-Q99 PolarHBondContact O-N 2.93Å; Q99-A101 VanDerWaalsContact C-N 3.34Å; Q99-A101 PolarHBondContact O-N 3.13Å; Q99-L102 PolarHBondContact O-N 3.34Å; Q99-A103 PolarHBondContact O-N 3.46Å
100K89Confident85.5Confident103 Ų10366.1 Ų66.145%0.44833%0.328SS..Hα-helixtrans-63.5-37.6176.2-71.6160.8-167.5166.50111.8F67 E96 A97 C98F67-K100 HydrophobicContact CB-CB 4.3Å; F67-K100 HydrophobicContact CD1-CB 4.28Å; E96-K100 WeakPolarHBondContact O-CB 3.44Å; E96-K100 WeakPolarHBondContact O-CD 3.24Å; E96-K100 WeakPolarHBondContact O-CG 3.3Å; E96-K100 PolarHBondContact O-N 3.47Å; E96-K100 WeakPolarHBondContact OE2-CE 3.45Å; E96-K100 IonicContact OE2-NZ 2.67Å; E96-K100 PolarHBondContact OE2-NZ 2.81Å; A97-K100 PolarHBondContact O-N 2.99Å; C98-K100 PolarHBondContact O-N 3.27Å
101A88.2Confident85Confident0 Ų069.7 Ų69.70%037%0.366CS..Hα-helixtrans-70.2-42.9172.600000112.2I46 F64 F67 F92 A97 C98 Q99 A103 K104I46-A101 HydrophobicContact CD1-CB 4.11Å; F64-A101 HydrophobicContact CD1-CB 4.29Å; F64-A101 HydrophobicContact CE1-CB 4.35Å; F67-A101 HydrophobicContact CD2-CB 4.29Å; F67-A101 HydrophobicContact CG-CB 4.25Å; F92-A101 HydrophobicContact CE2-CB 4.04Å; F92-A101 HydrophobicContact CZ-CB 3.91Å; A97-A101 WeakPolarHBondContact O-CB 3.39Å; A97-A101 PolarHBondContact O-N 3.38Å; C98-A101 PolarHBondContact O-N 2.83Å; Q99-A101 VanDerWaalsContact C-N 3.34Å; Q99-A101 PolarHBondContact O-N 3.13Å; A101-A103 VanDerWaalsContact C-N 3.26Å; A101-A103 PolarHBondContact O-N 3.22Å; A101-K104 WeakPolarHBondContact O-CB 3.34Å; A101-K104 PolarHBondContact O-N 3.37Å
102L87.7Confident84.7Confident55 Ų5572.8 Ų72.829%0.28838%0.379SS..Hα-helixtrans-63.6-28.2177-73164.4000113.3I46 C98 Q99 K104 I116 K117 P118I46-L102 HydrophobicContact CG2-CD1 4.42Å; I46-L102 HydrophobicContact CG2-CD2 4.1Å; I46-L102 HydrophobicContact CG2-CG 3.95Å; C98-L102 WeakPolarHBondContact O-CB 3.48Å; C98-L102 VanDerWaalsContact O-CG 3.26Å; C98-L102 WeakPolarHBondContact O-CG 3.46Å; C98-L102 PolarHBondContact O-N 2.95Å; Q99-L102 PolarHBondContact O-N 3.34Å; L102-K104 PolarHBondContact O-N 3.43Å; L102-I116 HydrophobicContact CD2-CG2 4.08Å; L102-K117 VanDerWaalsContact CD2-C 3.46Å; L102-P118 HydrophobicContact CD2-CB 4.32Å
103A88.2Confident84.5Confident80 Ų8078.2 Ų78.266%0.66140%0.402SS*.THydrogen-bonded Turntrans-68-20173.400000113.3Q99 A101 K105Q99-A103 PolarHBondContact O-N 3.46Å; A101-A103 VanDerWaalsContact C-N 3.26Å; A101-A103 PolarHBondContact O-N 3.22Å; A103-K105 PolarHBondContact O-N 3.28Å
104K83.8Confident84.6Confident109 Ų10973.7 Ų73.747%0.47438%0.381SS..  trans-84.792.4174.8-65.5-66.8-170.6173.30110.5F67 A101 L102 E106 V107F67-K104 HydrophobicContact CE1-CD 4.4Å; F67-K104 HydrophobicContact CE1-CG 3.62Å; F67-K104 HydrophobicContact CZ-CG 3.86Å; A101-K104 WeakPolarHBondContact O-CB 3.34Å; A101-K104 PolarHBondContact O-N 3.37Å; L102-K104 PolarHBondContact O-N 3.43Å; K104-E106 VanDerWaalsContact C-N 3.27Å; K104-E106 PolarHBondContact O-N 2.84Å; K104-V107 HydrophobicContact CB-CG2 3.78Å
105K69.5Low84.6Confident202 Ų20274.7 Ų74.788%0.87838%0.383SS*.SBendtrans-64.7-26.3177.7-66.5-175.4178.2-179.80114.6A103A103-K105 PolarHBondContact O-N 3.28Å
106E74.4Confident84.8Confident119 Ų11973.9 Ų73.956%0.55637%0.374SS*.  trans-133.2127.9180-174.7159.9109.200108.9K104 K113K104-E106 VanDerWaalsContact C-N 3.27Å; K104-E106 PolarHBondContact O-N 2.84Å; E106-K113 HydrophobicContact CG-CD 4.23Å; E106-K113 VanDerWaalsContact OE1-CE 3.31Å; E106-K113 WeakPolarHBondContact OE1-CE 3.25Å; E106-K113 IonicContact OE1-NZ 2.69Å; E106-K113 PolarHBondContact OE1-NZ 2.97Å; E106-K113 WeakPolarHBondContact OE2-CE 3.42Å; E106-K113 IonicContact OE2-NZ 2.71Å; E106-K113 PolarHBondContact OE2-NZ 3.25Å
107V81.3Confident84.8Confident3 Ų372.6 Ų72.62%0.01837%0.366CS..EExtended strand (participates in β ladder)trans-143.4133.3-177.8163.30000107.8Y63 K104 I109 K113 V114 I116Y63-V107 HydrophobicContact CD1-CG1 4.01Å; Y63-V107 HydrophobicContact CE1-CB 4.3Å; Y63-V107 HydrophobicContact CE1-CG1 3.29Å; Y63-V107 HydrophobicContact CE1-CG2 4.01Å; Y63-V107 HydrophobicContact CE2-CG1 4.16Å; Y63-V107 VanDerWaalsContact CZ-CG1 3.4Å; K104-V107 HydrophobicContact CB-CG2 3.78Å; V107-I109 HydrophobicContact CG1-CD1 4.2Å; V107-I109 HydrophobicContact CG1-CG1 3.87Å; V107-K113 CarbonylContact O-C 3.55Å; V107-K113 WeakPolarHBondContact O-CA 3.25Å; V107-V114 HydrophobicContact CB-CG2 3.78Å; V107-V114 HydrophobicContact CG1-CG2 3.58Å; V107-V114 PolarHBondContact O-N 3.38Å; V107-I116 HydrophobicContact CB-CD1 4.08Å; V107-I116 HydrophobicContact CG2-CD1 3.56Å
108D82.5Confident84.6Confident83 Ų8376.6 Ų76.644%0.44439%0.392SS..EExtended strand (participates in β ladder)trans-109.8121.5176.8-75-75.9000110.5K112 K113D108-K112 WeakPolarHBondContact CA-O 3.39Å; D108-K113 WeakPolarHBondContact OD1-CG 3.48Å; D108-K113 PolarHBondContact OD1-N 2.62Å
109I80.7Confident84.4Confident8 Ų876.8 Ų76.84%0.04139%0.394CS..EExtended strand (participates in β ladder)trans-121.7127.9175.6-54.9-174.5000107.7T55 D59 L60 Y63 F64 V107 G111 K112 V114T55-I109 HydrophobicContact CG2-CG2 4.4Å; D59-I109 HydrophobicContact CB-CG2 4.44Å; L60-I109 HydrophobicContact CD2-CD1 3.78Å; Y63-I109 HydrophobicContact CD1-CD1 4.22Å; Y63-I109 HydrophobicContact CD2-CG1 4.44Å; Y63-I109 HydrophobicContact CG-CD1 4.18Å; Y63-I109 HydrophobicContact CG-CG1 4.29Å; F64-I109 HydrophobicContact CE2-CD1 4.16Å; V107-I109 HydrophobicContact CG1-CD1 4.2Å; V107-I109 HydrophobicContact CG1-CG1 3.87Å; I109-G111 PolarHBondContact O-N 2.84Å; I109-G111 VanDerWaalsContact O-N 3.13Å; I109-K112 PolarHBondContact N-O 3.45Å; I109-K112 PolarHBondContact O-N 2.78Å; I109-V114 HydrophobicContact CB-CG1 4.09Å; I109-V114 HydrophobicContact CD1-CG1 4.29Å; I109-V114 HydrophobicContact CD1-CG2 4.15Å; I109-V114 HydrophobicContact CG1-CG1 4.1Å; I109-V114 HydrophobicContact CG1-CG2 4.3Å
110K79.4Confident83.7Confident117 Ų11777.4 Ų77.451%0.50939%0.394SS..THydrogen-bonded Turntrans48.438-174.7-79.1174.5157.2161.80113.4T52 D54 D59T52-K110 HydrophobicContact CG2-CB 4.27Å; D54-K110 PolarHBondContact O-NZ 3.27Å; D59-K110 WeakPolarHBondContact OD1-CE 3.38Å; D59-K110 IonicContact OD1-NZ 2.96Å; D59-K110 PolarHBondContact OD1-NZ 3.28Å; D59-K110 WeakPolarHBondContact OD2-CE 3.18Å; D59-K110 IonicContact OD2-NZ 2.7Å; D59-K110 PolarHBondContact OD2-NZ 3.39Å
111G80.1Confident82.4Confident76 Ų7673.7 Ų73.778%0.78438%0.382SS*.THydrogen-bonded Turntrans76.116.6178.300000115.3I109I109-G111 PolarHBondContact O-N 2.84Å; I109-G111 VanDerWaalsContact O-N 3.13Å
112K84.5Confident81.2Confident91 Ų9181.3 Ų81.340%0.39641%0.41SS..EExtended strand (participates in β ladder)trans-128.3132.8179.7-171179.6175.7-155.60111G50 I51 T52 D108 I109 V114G50-K112 WeakPolarHBondContact O-CD 3.09Å; G50-K112 WeakPolarHBondContact O-CE 3.41Å; G50-K112 PolarHBondContact O-NZ 2.7Å; I51-K112 PolarHBondContact O-NZ 2.92Å; T52-K112 HydrophobicContact CG2-CB 3.95Å; T52-K112 HydrophobicContact CG2-CD 3.81Å; D108-K112 WeakPolarHBondContact CA-O 3.39Å; I109-K112 PolarHBondContact N-O 3.45Å; I109-K112 PolarHBondContact O-N 2.78Å; K112-V114 PolarHBondContact O-N 2.66Å
113K87.7Confident80Confident115 Ų11582.6 Ų82.650%0.542%0.415SS..EExtended strand (participates in β ladder)trans-63.5129.4174.5-67.5-173.4172.2-162.80111.2E106 V107 D108E106-K113 HydrophobicContact CG-CD 4.23Å; E106-K113 VanDerWaalsContact OE1-CE 3.31Å; E106-K113 WeakPolarHBondContact OE1-CE 3.25Å; E106-K113 IonicContact OE1-NZ 2.69Å; E106-K113 PolarHBondContact OE1-NZ 2.97Å; E106-K113 WeakPolarHBondContact OE2-CE 3.42Å; E106-K113 IonicContact OE2-NZ 2.71Å; E106-K113 PolarHBondContact OE2-NZ 3.25Å; V107-K113 CarbonylContact O-C 3.55Å; V107-K113 WeakPolarHBondContact O-CA 3.25Å; D108-K113 WeakPolarHBondContact OD1-CG 3.48Å; D108-K113 PolarHBondContact OD1-N 2.62Å
114V89.9Confident78.9Confident6 Ų682 Ų824%0.03640%0.401CS..EExtended strand (participates in β ladder)trans-114.8146176.5-46.40000110.3V48 G49 I51 V107 I109 K112 I116V48-V114 HydrophobicContact CG1-CB 4.09Å; V48-V114 HydrophobicContact CG1-CG2 3.87Å; G49-V114 CarbonylContact O-C 3.58Å; G49-V114 WeakPolarHBondContact O-CA 3.2Å; G49-V114 VanDerWaalsContact O-CB 3.28Å; G49-V114 WeakPolarHBondContact O-CB 3.46Å; I51-V114 HydrophobicContact CG2-CG1 3.89Å; V107-V114 HydrophobicContact CB-CG2 3.78Å; V107-V114 HydrophobicContact CG1-CG2 3.58Å; V107-V114 PolarHBondContact O-N 3.38Å; I109-V114 HydrophobicContact CB-CG1 4.09Å; I109-V114 HydrophobicContact CD1-CG1 4.29Å; I109-V114 HydrophobicContact CD1-CG2 4.15Å; I109-V114 HydrophobicContact CG1-CG1 4.1Å; I109-V114 HydrophobicContact CG1-CG2 4.3Å; K112-V114 PolarHBondContact O-N 2.66Å; V114-I116 HydrophobicContact CG2-CG1 4.47Å
115E89.1Confident78.6Confident105 Ų10577.7 Ų77.749%0.49138%0.382SS..EExtended strand (participates in β ladder)trans-94.5122.1174.7-62-173.4152.200110.2V48 G49 K117V48-E115 CarbonylContact C-O 3.49Å; V48-E115 WeakPolarHBondContact CA-O 3.29Å; G49-E115 PolarHBondContact N-O 2.64Å; G49-E115 PolarHBondContact O-N 3.04Å; E115-K117 VanDerWaalsContact CD-NZ 3.34Å; E115-K117 IonicContact OE1-NZ 3.34Å; E115-K117 IonicContact OE2-NZ 2.85Å; E115-K117 PolarHBondContact OE2-NZ 3.07Å
116I90.2Very high79.3Confident21 Ų2170.6 Ų70.611%0.10835%0.351CS..EExtended strand (participates in β ladder)trans-99.2125.9171.8-59.6166.3000109.2I46 F47 F64 L102 V107 V114I46-I116 HydrophobicContact CB-CG2 4.12Å; I46-I116 HydrophobicContact CD1-CG2 3.94Å; I46-I116 HydrophobicContact CG2-CG2 4.21Å; F47-I116 WeakPolarHBondContact O-CA 3.37Å; F64-I116 HydrophobicContact CE1-CD1 3.66Å; F64-I116 HydrophobicContact CE1-CG1 4.3Å; F64-I116 HydrophobicContact CZ-CD1 3.91Å; F64-I116 HydrophobicContact CZ-CG1 4.18Å; L102-I116 HydrophobicContact CD2-CG2 4.08Å; V107-I116 HydrophobicContact CB-CD1 4.08Å; V107-I116 HydrophobicContact CG2-CD1 3.56Å; V114-I116 HydrophobicContact CG2-CG1 4.47Å
117K89.1Confident80Confident94 Ų9464.9 Ų64.941%0.40932%0.324SS..EExtended strand (participates in β ladder)trans-137.2155.1179.7-73.2167.6179.4163.50109.3F47 L102 E115 A119F47-K117 HydrophobicContact CB-CB 4.46Å; F47-K117 HydrophobicContact CD1-CB 4.21Å; F47-K117 PolarHBondContact N-O 3.22Å; F47-K117 PolarHBondContact O-N 3.08Å; L102-K117 VanDerWaalsContact CD2-C 3.46Å; E115-K117 VanDerWaalsContact CD-NZ 3.34Å; E115-K117 IonicContact OE1-NZ 3.34Å; E115-K117 IonicContact OE2-NZ 2.85Å; E115-K117 PolarHBondContact OE2-NZ 3.07Å; K117-A119 PolarHBondContact O-N 2.92Å
118P86.1Confident80.3Confident87 Ų8766.7 Ų66.757%0.56533%0.332SS*.EExtended strand (participates in β ladder)trans-62.1137.4174.126.8-33.9000109.6L102 K120L102-P118 HydrophobicContact CD2-CB 4.32Å; P118-K120 PolarHBondContact O-N 3.18Å
119A82.7Confident80.6Confident5 Ų562.8 Ų62.84%0.04131%0.311CS..  trans-75.698.2-177.200000111.1K45 F89 K117 S121K45-A119 VanDerWaalsContact C-CB 3.44Å; K45-A119 HydrophobicContact CB-CB 3.78Å; K45-A119 HydrophobicContact CD-CB 4.25Å; K45-A119 HydrophobicContact CG-CB 3.63Å; K45-A119 WeakPolarHBondContact O-CB 3.45Å; K45-A119 PolarHBondContact O-N 3.46Å; F89-A119 HydrophobicContact CD1-CB 3.73Å; F89-A119 HydrophobicContact CE1-CB 4.01Å; K117-A119 PolarHBondContact O-N 2.92Å; A119-S121 PolarHBondContact O-N 3.02Å
120K73Confident81Confident146 Ų14662.7 Ų62.764%0.63531%0.312SS*.  trans-61.9114.9160.3-65.5-167.5170.9-1590108.7P118 R122P118-K120 PolarHBondContact O-N 3.18Å; K120-R122 PolarHBondContact O-N 2.8Å
121S62.8Low81.2Confident26 Ų2658.7 Ų58.718%0.18230%0.304CS..  trans-65.8121.8169.7-173.20000109.5E42 A119 E123 K125E42-S121 WeakPolarHBondContact OE1-CA 3.47Å; E42-S121 WeakPolarHBondContact OE1-CB 3.43Å; E42-S121 PolarHBondContact OE1-N 3.29Å; A119-S121 PolarHBondContact O-N 3.02Å; S121-E123 VanDerWaalsContact C-N 3.35Å; S121-E123 WeakPolarHBondContact OG-CA 3.09Å; S121-E123 WeakPolarHBondContact OG-CB 2.86Å; S121-E123 PolarHBondContact OG-N 2.73Å; S121-E123 VanDerWaalsContact OG-N 3.08Å; S121-E123 PolarHBondContact OG-O 2.97Å; S121-K125 WeakPolarHBondContact O-CD 3.48Å; S121-K125 WeakPolarHBondContact O-CE 3.48Å; S121-K125 VanDerWaalsContact O-CG 3.31Å; S121-K125 WeakPolarHBondContact O-CG 3.2Å
122R62.6Low81.4Confident159 Ų15955.1 Ų55.160%0.627%0.267SS*.  trans-89.4-8.4159.9-82-173.6148.8-152.1-9.2112K120 K125 D152K120-R122 PolarHBondContact O-N 2.8Å; R122-K125 PolarHBondContact O-N 3.29Å; R122-D152 IonicContact CZ-OD2 3.59Å; R122-D152 IonicContact NH2-OD2 2.7Å; R122-D152 PolarHBondContact NH2-OD2 2.99Å
123E62.1Low81.1Confident83 Ų8351.9 Ų51.939%0.38826%0.256SS..SBendtrans-76.4133.8170.5-69.5153.5-160.700107.6K76 S121 K125K76-E123 IonicContact NZ-OE1 3.57Å; K76-E123 PolarHBondContact NZ-OE1 3.32Å; S121-E123 VanDerWaalsContact C-N 3.35Å; S121-E123 WeakPolarHBondContact OG-CA 3.09Å; S121-E123 WeakPolarHBondContact OG-CB 2.86Å; S121-E123 PolarHBondContact OG-N 2.73Å; S121-E123 VanDerWaalsContact OG-N 3.08Å; S121-E123 PolarHBondContact OG-O 2.97Å; E123-K125 VanDerWaalsContact C-N 3.33Å; E123-K125 PolarHBondContact O-N 3.14Å
124N65Low80.5Confident67 Ų6748.2 Ų48.236%0.35824%0.244SC..SBendtrans77.1-27.5-164.1-42.2-47.2000117.1K126 D176 A179N124-K126 PolarHBondContact O-N 3.08Å; N124-K126 VanDerWaalsContact O-N 3.08Å; N124-D176 HydrophobicContact CB-CB 4.4Å; N124-A179 WeakPolarHBondContact O-CB 3.47Å
125K77.7Confident79.8Confident19 Ų1955.1 Ų55.18%0.08328%0.281CS..SBendtrans-66.4-11.1-179-65.4-159.9176.4-1640115.7S121 R122 E123 F173 D174 D176S121-K125 WeakPolarHBondContact O-CD 3.48Å; S121-K125 WeakPolarHBondContact O-CE 3.48Å; S121-K125 VanDerWaalsContact O-CG 3.31Å; S121-K125 WeakPolarHBondContact O-CG 3.2Å; R122-K125 PolarHBondContact O-N 3.29Å; E123-K125 VanDerWaalsContact C-N 3.33Å; E123-K125 PolarHBondContact O-N 3.14Å; K125-F173 PolarHBondContact O-N 3.3Å; K125-D174 WeakPolarHBondContact CD-O 3.44Å; K125-D174 WeakPolarHBondContact CE-O 3.07Å; K125-D174 PolarHBondContact NZ-O 3.47Å; K125-D176 HydrophobicContact CD-CB 4.36Å; K125-D176 VanDerWaalsContact CE-N 3.29Å; K125-D176 HydrophobicContact CG-CB 3.64Å
126K85.5Confident79.4Confident52 Ų5251.2 Ų51.223%0.22626%0.263CS..EExtended strand (participates in β ladder)trans-102.5128.2179-169.3169.6179.7172.70110.5N124 E155 F170 V171 V172 A200N124-K126 PolarHBondContact O-N 3.08Å; N124-K126 VanDerWaalsContact O-N 3.08Å; K126-E155 IonicContact NZ-OE1 3.28Å; K126-E155 PolarHBondContact NZ-OE1 3.19Å; K126-E155 IonicContact NZ-OE2 2.67Å; K126-E155 PolarHBondContact NZ-OE2 3.31Å; K126-F170 HydrophobicContact CD-CB 4.31Å; K126-F170 HydrophobicContact CD-CD1 4.44Å; K126-F170 VanDerWaalsContact CE-CG 3.44Å; K126-F170 HydrophobicContact CG-CB 4.09Å; K126-F170 HydrophobicContact CG-CD1 4.35Å; K126-V171 CarbonylContact C-O 3.5Å; K126-V171 WeakPolarHBondContact CA-O 3.25Å; K126-V172 HydrophobicContact CB-CG2 4.37Å; K126-V172 HydrophobicContact CD-CG2 4.1Å; K126-V172 HydrophobicContact CG-CG2 3.98Å; K126-A200 HydrophobicContact CB-CB 4Å; K126-A200 HydrophobicContact CD-CB 4.37Å; K126-A200 HydrophobicContact CG-CB 3.74Å; K126-A200 WeakPolarHBondContact O-CB 3.38Å; K126-A200 PolarHBondContact O-N 3Å
127V88.4Confident79Confident0 Ų052.6 Ų52.60%027%0.273CS..EExtended strand (participates in β ladder)trans-107.2139.4176179.80000109.1V129 F170 V171 F173 A179 A182 V197V127-V129 HydrophobicContact CG1-CG2 4.26Å; V127-F170 CarbonylContact O-C 3.57Å; V127-F170 WeakPolarHBondContact O-CA 3.08Å; V127-V171 PolarHBondContact N-O 2.94Å; V127-V171 PolarHBondContact O-N 3.02Å; V127-F173 HydrophobicContact CB-CE2 4.26Å; V127-F173 HydrophobicContact CG2-CD2 3.98Å; V127-F173 HydrophobicContact CG2-CE2 3.66Å; V127-A179 HydrophobicContact CG2-CB 3.59Å; V127-A179 WeakPolarHBondContact CG2-O 3.29Å; V127-A182 HydrophobicContact CG2-CB 4.25Å; V127-V197 HydrophobicContact CG1-CG1 3.42Å; V127-V197 VanDerWaalsContact CG1-CG1 3.42Å
128F88.1Confident78.7Confident41 Ų4151.4 Ų51.418%0.1827%0.269CS..EExtended strand (participates in β ladder)trans-98133.9170.7168.6-93.1000109.1F168 F170 V197 K198 A200F128-F168 HydrophobicContact CD2-CB 4.47Å; F128-F168 HydrophobicContact CD2-CD2 4.21Å; F128-F168 HydrophobicContact CE2-CB 3.57Å; F128-F168 AromaticContact CE2-CD2 3.56Å; F128-F168 HydrophobicContact CE2-CD2 3.56Å; F128-F168 HydrophobicContact CE2-CE2 4.35Å; F128-F168 AromaticContact CE2-CG 3.65Å; F128-F168 HydrophobicContact CE2-CG 3.65Å; F128-F168 HydrophobicContact CZ-CB 3.76Å; F128-F168 HydrophobicContact CZ-CD2 4.49Å; F128-F168 HydrophobicContact CZ-CG 4.16Å; F128-F170 HydrophobicContact CB-CD1 3.96Å; F128-F170 HydrophobicContact CB-CE1 4.06Å; F128-F170 HydrophobicContact CD2-CD1 4.04Å; F128-F170 AromaticContact CD2-CE1 3.65Å; F128-F170 HydrophobicContact CD2-CE1 3.65Å; F128-F170 HydrophobicContact CD2-CZ 4.03Å; F128-F170 HydrophobicContact CG-CE1 4.33Å; F128-V197 WeakPolarHBondContact O-CA 3.49Å; F128-K198 PolarHBondContact N-O 2.94Å; F128-K198 PolarHBondContact O-N 2.88Å; F128-A200 HydrophobicContact CB-CB 4.08Å
129V89.1Confident78.7Confident0 Ų052.9 Ų52.90%027%0.272CS..EExtended strand (participates in β ladder)trans-126.498.5-175.4-170.50000107.8V127 L132 L141 F145 F168 A169 V171 F190 D196 V197V127-V129 HydrophobicContact CG1-CG2 4.26Å; V129-L132 HydrophobicContact CB-CD1 4.17Å; V129-L132 HydrophobicContact CG1-CD1 3.85Å; V129-L132 HydrophobicContact CG1-CD2 3.91Å; V129-L132 HydrophobicContact CG1-CG 3.87Å; V129-L141 HydrophobicContact CG1-CD1 4.36Å; V129-F145 HydrophobicContact CB-CE2 4.45Å; V129-F145 HydrophobicContact CB-CZ 4.32Å; V129-F145 HydrophobicContact CG1-CE2 4.07Å; V129-F145 HydrophobicContact CG1-CZ 3.93Å; V129-F145 HydrophobicContact CG2-CE1 4.32Å; V129-F145 HydrophobicContact CG2-CE2 3.59Å; V129-F145 HydrophobicContact CG2-CZ 3.37Å; V129-F168 CarbonylContact O-C 3.56Å; V129-F168 WeakPolarHBondContact O-CA 3.38Å; V129-F168 WeakPolarHBondContact O-CB 3.35Å; V129-A169 PolarHBondContact N-O 2.78Å; V129-A169 PolarHBondContact O-N 2.98Å; V129-V171 HydrophobicContact CG2-CG2 4.06Å; V129-F190 HydrophobicContact CG1-CE2 4.09Å; V129-F190 HydrophobicContact CG1-CZ 4.27Å; V129-D196 CarbonylContact C-O 3.33Å; V129-D196 WeakPolarHBondContact CA-O 3.44Å; V129-V197 HydrophobicContact CG1-CG2 4.26Å
130G88.5Confident78.8Confident7 Ų759.2 Ų59.27%0.07230%0.298CS..EExtended strand (participates in β ladder)trans-104.2153.6-177.600000113.2N167 C195 D196G130-N167 CarbonylContact C-O 3.46Å; G130-C195 CarbonylContact O-C 3.57Å; G130-C195 WeakPolarHBondContact O-CA 3.25Å; G130-C195 WeakPolarHBondContact O-CB 3.3Å; G130-D196 PolarHBondContact N-O 3.44Å; G130-D196 PolarHBondContact O-N 3.41Å
131G84Confident79.4Confident33 Ų3352.2 Ų52.234%0.3427%0.268SS..SBendtrans93.7-4.9-177.800000114.8N167 R193 C195G131-N167 PolarHBondContact N-O 3.47Å; G131-R193 WeakPolarHBondContact O-CD 3.34Å; G131-C195 VanDerWaalsContact C-SG 3.55Å
132L84.1Confident80.6Confident0 Ų056.5 Ų56.50%028%0.28CS..  trans-53140.8-177.7-71.4172.7000112.3V129 L141 W156 N167 A169 F190V129-L132 HydrophobicContact CB-CD1 4.17Å; V129-L132 HydrophobicContact CG1-CD1 3.85Å; V129-L132 HydrophobicContact CG1-CD2 3.91Å; V129-L132 HydrophobicContact CG1-CG 3.87Å; L132-L141 HydrophobicContact CD1-CD1 3.83Å; L132-L141 HydrophobicContact CD1-CD2 4.06Å; L132-L141 HydrophobicContact CD2-CD1 3.59Å; L132-L141 HydrophobicContact CG-CD1 4.39Å; L132-W156 HydrophobicContact CB-CZ2 3.97Å; L132-W156 HydrophobicContact CD1-CH2 4.15Å; L132-W156 HydrophobicContact CD1-CZ2 3.84Å; L132-N167 PolarHBondContact N-O 2.88Å; L132-N167 WeakPolarHBondContact O-CA 3.15Å; L132-A169 HydrophobicContact CD1-CB 3.66Å; L132-F190 HydrophobicContact CD2-CB 4.16Å; L132-F190 HydrophobicContact CD2-CD1 4.29Å; L132-F190 HydrophobicContact CD2-CD2 4.08Å; L132-F190 HydrophobicContact CD2-CG 3.92Å
133P77.8Confident81.9Confident24 Ų2452.5 Ų52.516%0.15628%0.276CS..  trans-61.7138.9166.2-11.323.5000110.3D135 F136 R193P133-D135 PolarHBondContact O-N 2.88Å; P133-D135 VanDerWaalsContact O-N 3.17Å; P133-F136 HydrophobicContact CB-CB 3.93Å; P133-F136 HydrophobicContact CG-CB 3.86Å; P133-F136 HydrophobicContact CG-CD2 4.32Å; P133-F136 HydrophobicContact CG-CG 4.41Å; P133-F136 WeakPolarHBondContact O-CB 3.39Å; P133-F136 PolarHBondContact O-N 3.24Å; P133-F136 VanDerWaalsContact O-N 3.14Å; P133-R193 HydrophobicContact CG-CB 4.45Å; P133-R193 HydrophobicContact CG-CG 4.23Å
134S74.5Confident83Confident37 Ų3751 Ų5126%0.25927%0.27SS..THydrogen-bonded Turntrans-66.7-13.617751.90000114.1R164S134-R164 VanDerWaalsContact CB-CG 3.49Å
135D76.3Confident84.1Confident151 Ų15147.9 Ų47.981%0.80725%0.253SS*.THydrogen-bonded Turntrans-111.512.6179.3-166.243.9000112P133P133-D135 PolarHBondContact O-N 2.88Å; P133-D135 VanDerWaalsContact O-N 3.17Å
136F79Confident84.5Confident24 Ų2450.4 Ų50.411%0.10527%0.265CS..  trans-79.4127.9176.9-170.8-97.6000109.8P133 K140 L141 W156 F190P133-F136 HydrophobicContact CB-CB 3.93Å; P133-F136 HydrophobicContact CG-CB 3.86Å; P133-F136 HydrophobicContact CG-CD2 4.32Å; P133-F136 HydrophobicContact CG-CG 4.41Å; P133-F136 WeakPolarHBondContact O-CB 3.39Å; P133-F136 PolarHBondContact O-N 3.24Å; P133-F136 VanDerWaalsContact O-N 3.14Å; F136-K140 HydrophobicContact CE1-CB 3.84Å; F136-K140 HydrophobicContact CE2-CB 4.37Å; F136-K140 HydrophobicContact CZ-CB 3.63Å; F136-L141 HydrophobicContact CD1-CB 4.31Å; F136-L141 HydrophobicContact CD1-CD1 4.43Å; F136-L141 HydrophobicContact CE1-CB 4.02Å; F136-L141 HydrophobicContact CE1-CD1 4.2Å; F136-W156 HydrophobicContact CB-CH2 4.1Å; F136-W156 HydrophobicContact CD1-CH2 4.3Å; F136-W156 WeakPolarHBondContact O-CH2 3.17Å; F136-W156 WeakPolarHBondContact O-CZ3 3.4Å; F136-F190 HydrophobicContact CD2-CB 4.41Å; F136-F190 HydrophobicContact CE1-CB 4.25Å; F136-F190 AromaticContact CE1-CD1 3.79Å; F136-F190 HydrophobicContact CE1-CD1 3.79Å; F136-F190 HydrophobicContact CE1-CG 4.45Å; F136-F190 HydrophobicContact CE2-CB 3.95Å; F136-F190 HydrophobicContact CZ-CB 3.86Å; F136-F190 AromaticContact CZ-CD1 3.79Å; F136-F190 HydrophobicContact CZ-CD1 3.79Å; F136-F190 HydrophobicContact CZ-CG 4.31Å
137P82Confident84.7Confident50 Ų5053.6 Ų53.633%0.32528%0.28SS..  trans-72.9143.3-175.728.8-34.8000111.5D139 K140 L141P137-D139 VanDerWaalsContact C-N 3.3Å; P137-D139 PolarHBondContact O-N 2.96Å; P137-K140 HydrophobicContact CG-CB 4.06Å; P137-K140 HydrophobicContact CG-CD 3.65Å; P137-K140 HydrophobicContact CG-CG 3.77Å; P137-K140 PolarHBondContact O-N 3.26Å; P137-L141 PolarHBondContact O-N 2.84Å
138E83.3Confident84.5Confident68 Ų6855.1 Ų55.132%0.31829%0.287SS..Hα-helixtrans-65.1-34.1-176.1-158.5163.5133.900112.7K140 L141 R142 I154 W156 R165E138-K140 VanDerWaalsContact C-N 3.32Å; E138-K140 PolarHBondContact O-N 2.95Å; E138-L141 WeakPolarHBondContact O-CA 3.07Å; E138-L141 VanDerWaalsContact O-CB 3.29Å; E138-L141 WeakPolarHBondContact O-CB 3.49Å; E138-L141 PolarHBondContact O-N 3.04Å; E138-L141 VanDerWaalsContact O-N 3.08Å; E138-R142 WeakPolarHBondContact O-CB 3.13Å; E138-R142 PolarHBondContact O-N 3.26Å; E138-I154 HydrophobicContact CG-CD1 4.45Å; E138-I154 HydrophobicContact CG-CG2 4.21Å; E138-W156 HydrophobicContact CB-CZ3 4.5Å; E138-W156 HydrophobicContact CG-CE3 4.28Å; E138-R165 IonicContact OE2-CZ 2.68Å; E138-R165 IonicContact OE2-NH1 3.82Å; E138-R165 PolarHBondContact OE2-NH1 2.77Å; E138-R165 IonicContact OE2-NH2 2.59Å; E138-R165 PolarHBondContact OE2-NH2 2.83Å
139D85.9Confident84.4Confident119 Ų11953.9 Ų53.964%0.63629%0.286SS*.Hα-helixtrans-63.5-39.1178.7-43.3-86000111.3P137 L141 R142 S143P137-D139 VanDerWaalsContact C-N 3.3Å; P137-D139 PolarHBondContact O-N 2.96Å; D139-L141 VanDerWaalsContact C-N 3.34Å; D139-R142 PolarHBondContact O-N 3.05Å; D139-S143 WeakPolarHBondContact O-CB 3.46Å; D139-S143 PolarHBondContact O-N 3.34Å; D139-S143 PolarHBondContact O-OG 2.86Å
140K85.8Confident84.3Confident137 Ų13760 Ų6060%0.59631%0.312SS*.Hα-helixtrans-71-31.1174-66.6-174.5-172.7175.60112.1F136 P137 E138 H144F136-K140 HydrophobicContact CE1-CB 3.84Å; F136-K140 HydrophobicContact CE2-CB 4.37Å; F136-K140 HydrophobicContact CZ-CB 3.63Å; P137-K140 HydrophobicContact CG-CB 4.06Å; P137-K140 HydrophobicContact CG-CD 3.65Å; P137-K140 HydrophobicContact CG-CG 3.77Å; P137-K140 PolarHBondContact O-N 3.26Å; E138-K140 VanDerWaalsContact C-N 3.32Å; E138-K140 PolarHBondContact O-N 2.95Å; K140-H144 VanDerWaalsContact O-CB 3.3Å; K140-H144 WeakPolarHBondContact O-CB 3.33Å; K140-H144 PolarHBondContact O-N 3.23Å; K140-H144 VanDerWaalsContact O-N 3.16Å
141L85.5Confident84.2Confident0 Ų060 Ų600%031%0.311CS..Hα-helixtrans-65.6-50.3173.3-167.972000109.4V129 L132 F136 P137 E138 D139 H144 F145 I154 W156 A169 V171 F190V129-L141 HydrophobicContact CG1-CD1 4.36Å; L132-L141 HydrophobicContact CD1-CD1 3.83Å; L132-L141 HydrophobicContact CD1-CD2 4.06Å; L132-L141 HydrophobicContact CD2-CD1 3.59Å; L132-L141 HydrophobicContact CG-CD1 4.39Å; F136-L141 HydrophobicContact CD1-CB 4.31Å; F136-L141 HydrophobicContact CD1-CD1 4.43Å; F136-L141 HydrophobicContact CE1-CB 4.02Å; F136-L141 HydrophobicContact CE1-CD1 4.2Å; P137-L141 PolarHBondContact O-N 2.84Å; E138-L141 WeakPolarHBondContact O-CA 3.07Å; E138-L141 VanDerWaalsContact O-CB 3.29Å; E138-L141 WeakPolarHBondContact O-CB 3.49Å; E138-L141 PolarHBondContact O-N 3.04Å; E138-L141 VanDerWaalsContact O-N 3.08Å; D139-L141 VanDerWaalsContact C-N 3.34Å; L141-H144 PolarHBondContact O-N 3.09Å; L141-F145 HydrophobicContact CD1-CD2 4.25Å; L141-F145 HydrophobicContact CD1-CE2 3.74Å; L141-F145 HydrophobicContact CG-CD2 4.13Å; L141-F145 HydrophobicContact CG-CE2 4.07Å; L141-F145 WeakPolarHBondContact O-CD2 3.31Å; L141-F145 PolarHBondContact O-N 3.47Å; L141-I154 HydrophobicContact CD2-CG2 4.17Å; L141-W156 HydrophobicContact CB-CZ3 4.47Å; L141-W156 HydrophobicContact CD2-CE3 3.89Å; L141-W156 HydrophobicContact CD2-CH2 4.47Å; L141-W156 HydrophobicContact CD2-CZ3 3.81Å; L141-A169 HydrophobicContact CD2-CB 3.85Å; L141-V171 HydrophobicContact CD2-CG2 4.5Å; L141-F190 HydrophobicContact CD1-CD1 3.98Å; L141-F190 HydrophobicContact CD1-CE1 3.73Å; L141-F190 HydrophobicContact CD1-CZ 4.32Å
142R87.5Confident84.2Confident116 Ų11662 Ų6244%0.43831%0.314SS..Hα-helixtrans-55.6-57.9177-174.7-177.3167.6127.716.5111.8E138 D139 H144 F145 E146 I154E138-R142 WeakPolarHBondContact O-CB 3.13Å; E138-R142 PolarHBondContact O-N 3.26Å; D139-R142 PolarHBondContact O-N 3.05Å; R142-H144 VanDerWaalsContact C-N 3.26Å; R142-H144 PolarHBondContact O-N 2.8Å; R142-F145 CarbonylContact O-C 3.58Å; R142-F145 PolarHBondContact O-N 2.68Å; R142-E146 HydrophobicContact CG-CG 4.28Å; R142-E146 IonicContact CZ-OE1 2.71Å; R142-E146 VanDerWaalsContact CZ-OE1 3.28Å; R142-E146 IonicContact NE-OE1 2.64Å; R142-E146 PolarHBondContact NE-OE1 3.47Å; R142-E146 IonicContact NE-OE2 2.76Å; R142-E146 IonicContact NH2-OE1 2.89Å; R142-E146 PolarHBondContact NH2-OE1 3.5Å; R142-E146 WeakPolarHBondContact O-CG 3.12Å; R142-E146 PolarHBondContact O-N 2.76Å; R142-I154 HydrophobicContact CB-CD1 3.6Å; R142-I154 HydrophobicContact CG-CD1 4.03Å
143S89.4Confident84.2Confident74 Ų7466.4 Ų66.452%0.51734%0.335SS..Hα-helixtrans-65.1-27.2-177.7-59.90000113.5D139D139-S143 WeakPolarHBondContact O-CB 3.46Å; D139-S143 PolarHBondContact O-N 3.34Å; D139-S143 PolarHBondContact O-OG 2.86Å
144H86.8Confident84.5Confident53 Ų5366.8 Ų66.825%0.24534%0.335CS..Hα-helixtrans-70.9-35.1170.7-167.282.4000112.2K140 L141 R142 Q147 Q188 F190K140-H144 VanDerWaalsContact O-CB 3.3Å; K140-H144 WeakPolarHBondContact O-CB 3.33Å; K140-H144 PolarHBondContact O-N 3.23Å; K140-H144 VanDerWaalsContact O-N 3.16Å; L141-H144 PolarHBondContact O-N 3.09Å; R142-H144 VanDerWaalsContact C-N 3.26Å; R142-H144 PolarHBondContact O-N 2.8Å; H144-Q147 PolarHBondContact CE1-NE2 3.11Å; H144-Q147 VanDerWaalsContact CE1-NE2 3.31Å; H144-Q147 PolarHBondContact NE2-NE2 3Å; H144-Q147 WeakPolarHBondContact O-CG 3.48Å; H144-Q147 PolarHBondContact O-NE2 2.92Å; H144-Q147 VanDerWaalsContact O-NE2 3.11Å; H144-Q188 PolarHBondContact NE2-OE1 3.45Å; H144-F190 HydrophobicContact CB-CE1 3.88Å; H144-F190 AromaticContact CD2-CE1 3.39Å; H144-F190 WeakPolarHBondContact CD2-CE1 3.36Å; H144-F190 AromaticContact CD2-CZ 3.5Å; H144-F190 AromaticContact CG-CE1 3.7Å
145F86.3Confident84.9Confident0 Ų068 Ų680%034%0.337CS..Hα-helixtrans-79.8-30.1175.7-76.2-64.6000113.6V129 L141 R142 Q147 F148 G149 V151 V171 F173 A182 F190 V197V129-F145 HydrophobicContact CB-CE2 4.45Å; V129-F145 HydrophobicContact CB-CZ 4.32Å; V129-F145 HydrophobicContact CG1-CE2 4.07Å; V129-F145 HydrophobicContact CG1-CZ 3.93Å; V129-F145 HydrophobicContact CG2-CE1 4.32Å; V129-F145 HydrophobicContact CG2-CE2 3.59Å; V129-F145 HydrophobicContact CG2-CZ 3.37Å; L141-F145 HydrophobicContact CD1-CD2 4.25Å; L141-F145 HydrophobicContact CD1-CE2 3.74Å; L141-F145 HydrophobicContact CG-CD2 4.13Å; L141-F145 HydrophobicContact CG-CE2 4.07Å; L141-F145 WeakPolarHBondContact O-CD2 3.31Å; L141-F145 PolarHBondContact O-N 3.47Å; R142-F145 CarbonylContact O-C 3.58Å; R142-F145 PolarHBondContact O-N 2.68Å; F145-Q147 PolarHBondContact O-N 3.41Å; F145-Q147 VanDerWaalsContact O-N 3.11Å; F145-F148 AromaticContact CD1-CD2 3.86Å; F145-F148 HydrophobicContact CD1-CD2 3.86Å; F145-F148 HydrophobicContact CD1-CE2 4.15Å; F145-F148 HydrophobicContact CE1-CD2 4.44Å; F145-F148 HydrophobicContact CE1-CE2 4.34Å; F145-F148 PolarHBondContact O-N 2.59Å; F145-G149 PolarHBondContact O-N 2.71Å; F145-V151 HydrophobicContact CB-CG2 3.89Å; F145-V171 HydrophobicContact CB-CG1 3.99Å; F145-V171 HydrophobicContact CD2-CB 4.36Å; F145-V171 HydrophobicContact CD2-CG1 4.3Å; F145-V171 HydrophobicContact CD2-CG2 3.65Å; F145-V171 HydrophobicContact CE2-CG2 3.9Å; F145-V171 HydrophobicContact CG-CB 4.47Å; F145-V171 HydrophobicContact CG-CG1 4.12Å; F145-V171 HydrophobicContact CG-CG2 4.24Å; F145-F173 HydrophobicContact CB-CE1 4.29Å; F145-F173 HydrophobicContact CB-CZ 3.82Å; F145-F173 HydrophobicContact CD1-CE2 4.39Å; F145-F173 AromaticContact CD1-CZ 3.85Å; F145-F173 HydrophobicContact CD1-CZ 3.85Å; F145-F173 HydrophobicContact CG-CZ 4.18Å; F145-F173 WeakPolarHBondContact O-CE1 3.3Å; F145-A182 HydrophobicContact CD1-CB 4.06Å; F145-A182 HydrophobicContact CE1-CB 4.1Å; F145-F190 HydrophobicContact CE1-CZ 4.4Å; F145-F190 AromaticContact CE2-CE1 3.9Å; F145-F190 HydrophobicContact CE2-CE1 3.9Å; F145-F190 AromaticContact CE2-CZ 3.6Å; F145-F190 HydrophobicContact CE2-CZ 3.6Å; F145-F190 HydrophobicContact CZ-CE1 4.26Å; F145-F190 HydrophobicContact CZ-CE2 4.38Å; F145-F190 AromaticContact CZ-CZ 3.51Å; F145-F190 HydrophobicContact CZ-CZ 3.51Å; F145-V197 HydrophobicContact CE1-CG1 3.95Å; F145-V197 HydrophobicContact CZ-CG1 4.22Å; F145-V197 HydrophobicContact CZ-CG2 4.28Å
146E88Confident85.2Confident73 Ų7362.2 Ų62.234%0.34130%0.303SS..Hα-helixtrans-58.3-23.3173.4-75.2172.3153.300112.8R142 F148 G149 V151R142-E146 HydrophobicContact CG-CG 4.28Å; R142-E146 IonicContact CZ-OE1 2.71Å; R142-E146 VanDerWaalsContact CZ-OE1 3.28Å; R142-E146 IonicContact NE-OE1 2.64Å; R142-E146 PolarHBondContact NE-OE1 3.47Å; R142-E146 IonicContact NE-OE2 2.76Å; R142-E146 IonicContact NH2-OE1 2.89Å; R142-E146 PolarHBondContact NH2-OE1 3.5Å; R142-E146 WeakPolarHBondContact O-CG 3.12Å; R142-E146 PolarHBondContact O-N 2.76Å; E146-F148 VanDerWaalsContact C-N 3.28Å; E146-F148 PolarHBondContact O-N 2.82Å; E146-G149 WeakPolarHBondContact CA-O 3.22Å; E146-G149 PolarHBondContact O-N 3.08Å; E146-V151 HydrophobicContact CG-CB 4.27Å; E146-V151 HydrophobicContact CG-CG2 3.88Å
147Q88.1Confident85.2Confident118 Ų11863 Ų6355%0.55131%0.311SS*.THydrogen-bonded Turntrans-65.9-25.1171.794.7-160.3-17.800113.7H144 F145H144-Q147 PolarHBondContact CE1-NE2 3.11Å; H144-Q147 VanDerWaalsContact CE1-NE2 3.31Å; H144-Q147 PolarHBondContact NE2-NE2 3Å; H144-Q147 WeakPolarHBondContact O-CG 3.48Å; H144-Q147 PolarHBondContact O-NE2 2.92Å; H144-Q147 VanDerWaalsContact O-NE2 3.11Å; F145-Q147 PolarHBondContact O-N 3.41Å; F145-Q147 VanDerWaalsContact O-N 3.11Å
148F84.7Confident84.7Confident33 Ų3365.2 Ų65.215%0.14532%0.316CS..THydrogen-bonded Turntrans-91-19.1176.5-60.6-73.6000112.2F145 E146 F173 A178 R181 A182F145-F148 AromaticContact CD1-CD2 3.86Å; F145-F148 HydrophobicContact CD1-CD2 3.86Å; F145-F148 HydrophobicContact CD1-CE2 4.15Å; F145-F148 HydrophobicContact CE1-CD2 4.44Å; F145-F148 HydrophobicContact CE1-CE2 4.34Å; F145-F148 PolarHBondContact O-N 2.59Å; E146-F148 VanDerWaalsContact C-N 3.28Å; E146-F148 PolarHBondContact O-N 2.82Å; F148-F173 HydrophobicContact CB-CE1 4.24Å; F148-F173 HydrophobicContact CB-CZ 4.35Å; F148-A178 WeakPolarHBondContact O-CA 3.35Å; F148-A178 WeakPolarHBondContact O-CB 3.07Å; F148-R181 HydrophobicContact CB-CB 4.46Å; F148-R181 HydrophobicContact CD1-CB 4.13Å; F148-R181 PolarHBondContact O-NE 3.27Å; F148-R181 VanDerWaalsContact O-NE 3.15Å; F148-R181 PolarHBondContact O-NH2 2.78Å; F148-A182 HydrophobicContact CB-CB 4.13Å; F148-A182 HydrophobicContact CD1-CB 4.46Å; F148-A182 HydrophobicContact CD2-CB 3.83Å; F148-A182 HydrophobicContact CE2-CB 4.33Å; F148-A182 HydrophobicContact CG-CB 3.9Å
149G85.5Confident84Confident15 Ų1563.7 Ų63.716%0.15531%0.31CS..SBendtrans150.2175.7176.200000112.1F145 E146 V151 F173F145-G149 PolarHBondContact O-N 2.71Å; E146-G149 WeakPolarHBondContact CA-O 3.22Å; E146-G149 PolarHBondContact O-N 3.08Å; G149-V151 PolarHBondContact O-N 2.64Å; G149-F173 WeakPolarHBondContact O-CD1 3.39Å; G149-F173 WeakPolarHBondContact O-CE1 3.32Å
150K87Confident83.2Confident127 Ų12766.9 Ų66.955%0.55232%0.318SS*.  trans-62.8124.9-172.7-179-175.5164.8-157.90112.3F173 D174K150-F173 WeakPolarHBondContact O-CA 3.43Å; K150-D174 HydrophobicContact CB-CB 4.31Å; K150-D174 HydrophobicContact CD-CB 4.05Å; K150-D174 WeakPolarHBondContact CD-OD2 3.37Å; K150-D174 WeakPolarHBondContact CE-OD2 3.13Å; K150-D174 HydrophobicContact CG-CB 4.28Å; K150-D174 IonicContact NZ-OD2 3.82Å; K150-D174 PolarHBondContact NZ-OD2 3.31Å; K150-D174 PolarHBondContact O-N 3.39Å
151V86.3Confident82Confident8 Ų869.9 Ų69.95%0.04833%0.332CS..EExtended strand (participates in β ladder)trans-83.6130.1173.5177.90000110.1F145 E146 G149 I154 V171 F173F145-V151 HydrophobicContact CB-CG2 3.89Å; E146-V151 HydrophobicContact CG-CB 4.27Å; E146-V151 HydrophobicContact CG-CG2 3.88Å; G149-V151 PolarHBondContact O-N 2.64Å; V151-I154 HydrophobicContact CG1-CD1 4.21Å; V151-I154 HydrophobicContact CG1-CG1 3.81Å; V151-V171 HydrophobicContact CB-CG1 4.48Å; V151-V171 HydrophobicContact CG1-CG1 3.8Å; V151-V171 HydrophobicContact CG2-CG1 3.87Å; V151-F173 HydrophobicContact CG2-CD1 4.38Å; V151-F173 HydrophobicContact CG2-CE1 4.14Å
152D85.3Confident81Confident76 Ų7676.5 Ų76.541%0.40636%0.362SS..EExtended strand (participates in β ladder)trans-91.7-49.2177.4-170.839.8000110.5R122 V172R122-D152 IonicContact CZ-OD2 3.59Å; R122-D152 IonicContact NH2-OD2 2.7Å; R122-D152 PolarHBondContact NH2-OD2 2.99Å; D152-V172 HydrophobicContact CB-CB 4.44Å; D152-V172 HydrophobicContact CB-CG1 4.21Å; D152-V172 PolarHBondContact N-O 3.46Å
153E82.7Confident80Confident92 Ų9277.3 Ų77.343%0.4338%0.375SS..EExtended strand (participates in β ladder)trans-150.7145.8-174.3-175.3175-16900111.1V172E153-V172 HydrophobicContact CB-CB 4.02Å; E153-V172 HydrophobicContact CB-CG2 4.1Å; E153-V172 PolarHBondContact N-O 3.25Å; E153-V172 PolarHBondContact O-N 2.78Å
154I84.8Confident79Confident31 Ų3179.7 Ų79.716%0.15937%0.373CS..EExtended strand (participates in β ladder)trans-119.8115.3170.4-64.2174.7000108.3E138 L141 R142 V151 F170 V171E138-I154 HydrophobicContact CG-CD1 4.45Å; E138-I154 HydrophobicContact CG-CG2 4.21Å; L141-I154 HydrophobicContact CD2-CG2 4.17Å; R142-I154 HydrophobicContact CB-CD1 3.6Å; R142-I154 HydrophobicContact CG-CD1 4.03Å; V151-I154 HydrophobicContact CG1-CD1 4.21Å; V151-I154 HydrophobicContact CG1-CG1 3.81Å; I154-F170 WeakPolarHBondContact CA-O 3.38Å; I154-V171 HydrophobicContact CG1-CG1 4.31Å; I154-V171 HydrophobicContact CG1-CG2 4.32Å
155E83.3Confident78.3Confident64 Ų6480.8 Ų80.830%0.29938%0.375SS..EExtended strand (participates in β ladder)trans-95.9110.5169.9-69.7172.3-145.100108.5K126 P157 A169 F170K126-E155 IonicContact NZ-OE1 3.28Å; K126-E155 PolarHBondContact NZ-OE1 3.19Å; K126-E155 IonicContact NZ-OE2 2.67Å; K126-E155 PolarHBondContact NZ-OE2 3.31Å; E155-P157 VanDerWaalsContact O-CD 3.3Å; E155-P157 WeakPolarHBondContact O-CD 3.41Å; E155-A169 CarbonylContact O-C 3.56Å; E155-A169 WeakPolarHBondContact O-CA 3.12Å; E155-F170 HydrophobicContact CB-CB 4.28Å; E155-F170 HydrophobicContact CB-CD2 4.39Å; E155-F170 PolarHBondContact N-O 3.47Å; E155-F170 PolarHBondContact O-N 2.95Å
156W82.8Confident77.8Confident28 Ų2884.2 Ų84.211%0.10639%0.39CS..  trans-110.594.8170.4-155.3-26.9000110.8L132 F136 E138 L141 F158 R165 K166 F168 A169L132-W156 HydrophobicContact CB-CZ2 3.97Å; L132-W156 HydrophobicContact CD1-CH2 4.15Å; L132-W156 HydrophobicContact CD1-CZ2 3.84Å; F136-W156 HydrophobicContact CB-CH2 4.1Å; F136-W156 HydrophobicContact CD1-CH2 4.3Å; F136-W156 WeakPolarHBondContact O-CH2 3.17Å; F136-W156 WeakPolarHBondContact O-CZ3 3.4Å; E138-W156 HydrophobicContact CB-CZ3 4.5Å; E138-W156 HydrophobicContact CG-CE3 4.28Å; L141-W156 HydrophobicContact CB-CZ3 4.47Å; L141-W156 HydrophobicContact CD2-CE3 3.89Å; L141-W156 HydrophobicContact CD2-CH2 4.47Å; L141-W156 HydrophobicContact CD2-CZ3 3.81Å; W156-F158 PolarHBondContact O-N 2.86Å; W156-F158 VanDerWaalsContact O-N 3.11Å; W156-R165 HydrophobicContact CZ2-CB 4.42Å; W156-K166 PolarHBondContact NE1-O 2.88Å; W156-F168 VanDerWaalsContact CD1-O 3.27Å; W156-F168 PolarHBondContact NE1-O 2.71Å; W156-A169 HydrophobicContact CB-CB 4.23Å; W156-A169 HydrophobicContact CD2-CB 3.96Å; W156-A169 HydrophobicContact CE3-CB 4.46Å; W156-A169 HydrophobicContact CG-CB 3.85Å
157P78Confident77.6Confident42 Ų4284.5 Ų84.527%0.27339%0.394SS..  trans-57.9119.3-179.4-29.338.6000112.2E155 K166 F168 F170E155-P157 VanDerWaalsContact O-CD 3.3Å; E155-P157 WeakPolarHBondContact O-CD 3.41Å; P157-K166 HydrophobicContact CB-CD 4.21Å; P157-K166 VanDerWaalsContact O-CB 3.25Å; P157-K166 WeakPolarHBondContact O-CB 3.36Å; P157-K166 VanDerWaalsContact O-CG 3.25Å; P157-K166 WeakPolarHBondContact O-CG 3.49Å; P157-K166 PolarHBondContact O-N 2.76Å; P157-F168 HydrophobicContact CB-CE2 4.33Å; P157-F168 HydrophobicContact CG-CE2 3.87Å; P157-F170 HydrophobicContact CG-CD2 4.45Å; P157-F170 HydrophobicContact CG-CE2 4.33Å
158F72.6Confident77.6Confident96 Ų9681.7 Ų81.742%0.42138%0.38SS..EExtended strand (participates in β ladder)trans-85.5137.3175.2-163.8-102.9000110.4W156 K160 N163 R165W156-F158 PolarHBondContact O-N 2.86Å; W156-F158 VanDerWaalsContact O-N 3.11Å; F158-K160 PolarHBondContact O-N 2.77Å; F158-N163 WeakPolarHBondContact CE1-OD1 3.49Å; F158-N163 HydrophobicContact CZ-CB 4.41Å; F158-N163 WeakPolarHBondContact CZ-O 3.08Å; F158-N163 WeakPolarHBondContact CZ-OD1 3.15Å; F158-R165 HydrophobicContact CD2-CG 4.06Å; F158-R165 HydrophobicContact CE2-CG 4.33Å
159D68.7Low77.7Confident35 Ų3580.1 Ų80.119%0.18737%0.373CS..EExtended strand (participates in β ladder)trans-87.4105.3168.6-152.4-61.5000110.3F161 Q162 N163 R164 K166D159-F161 PolarHBondContact O-N 2.79Å; D159-F161 PolarHBondContact OD1-N 3.27Å; D159-Q162 PolarHBondContact O-N 2.8Å; D159-N163 WeakPolarHBondContact O-CA 3.46Å; D159-N163 PolarHBondContact O-N 3.39Å; D159-N163 VanDerWaalsContact O-N 3.09Å; D159-R164 WeakPolarHBondContact CB-O 3.42Å; D159-R164 PolarHBondContact N-O 2.91Å; D159-R164 PolarHBondContact O-N 2.9Å; D159-K166 HydrophobicContact CB-CG 3.98Å; D159-K166 WeakPolarHBondContact OD2-CE 3.41Å; D159-K166 IonicContact OD2-NZ 2.66Å; D159-K166 PolarHBondContact OD2-NZ 2.94Å
160K67.9Low77.8Confident187 Ų18779.7 Ų79.781%0.81337%0.367SS*.THydrogen-bonded Turntrans-63.6-22-179.4-64.1-174177.8-175.10113.2F158F158-K160 PolarHBondContact O-N 2.77Å
161F61.3Low77.9Confident200 Ų20073.6 Ų73.688%0.87734%0.341SS*.THydrogen-bonded Turntrans-87.3-31.2-177.2-61.1-78.7000113.1D159D159-F161 PolarHBondContact O-N 2.79Å; D159-F161 PolarHBondContact OD1-N 3.27Å
162Q63.9Low77.8Confident138 Ų13873.8 Ų73.865%0.64534%0.342SS*.THydrogen-bonded Turntrans-102.34.7177.1-63.8-167.8-2.700113.6D159 R164D159-Q162 PolarHBondContact O-N 2.8Å; Q162-R164 HydrophobicContact CB-CB 4.12Å; Q162-R164 PolarHBondContact O-N 3.24Å
163N67.3Low77.9Confident133 Ų13370.3 Ų70.371%0.71132%0.323SS*.THydrogen-bonded Turntrans45.343-171-162.756.1000113F158 D159F158-N163 WeakPolarHBondContact CE1-OD1 3.49Å; F158-N163 HydrophobicContact CZ-CB 4.41Å; F158-N163 WeakPolarHBondContact CZ-O 3.08Å; F158-N163 WeakPolarHBondContact CZ-OD1 3.15Å; D159-N163 WeakPolarHBondContact O-CA 3.46Å; D159-N163 PolarHBondContact O-N 3.39Å; D159-N163 VanDerWaalsContact O-N 3.09Å
164R68.8Low77.8Confident124 Ų12467.9 Ų67.947%0.46831%0.313SS..EExtended strand (participates in β ladder)trans-134.4134-167.9-168.4-175-70.7-153.7-0.7110.7S134 D159 Q162 K166S134-R164 VanDerWaalsContact CB-CG 3.49Å; D159-R164 WeakPolarHBondContact CB-O 3.42Å; D159-R164 PolarHBondContact N-O 2.91Å; D159-R164 PolarHBondContact O-N 2.9Å; Q162-R164 HydrophobicContact CB-CB 4.12Å; Q162-R164 PolarHBondContact O-N 3.24Å; R164-K166 PolarHBondContact O-N 2.9Å
165R71Confident77.5Confident77 Ų7770.2 Ų70.229%0.29133%0.326SS..EExtended strand (participates in β ladder)trans-54.9128165.5-68.5179.9177.1-119-8.9108.6E138 W156 F158E138-R165 IonicContact OE2-CZ 2.68Å; E138-R165 IonicContact OE2-NH1 3.82Å; E138-R165 PolarHBondContact OE2-NH1 2.77Å; E138-R165 IonicContact OE2-NH2 2.59Å; E138-R165 PolarHBondContact OE2-NH2 2.83Å; W156-R165 HydrophobicContact CZ2-CB 4.42Å; F158-R165 HydrophobicContact CD2-CG 4.06Å; F158-R165 HydrophobicContact CE2-CG 4.33Å
166K76.5Confident77.3Confident71 Ų7169.8 Ų69.831%0.30933%0.326SS..  trans-62.1152.8176.7-67-174.6-170.2-131.70109.1W156 P157 D159 R164 F168W156-K166 PolarHBondContact NE1-O 2.88Å; P157-K166 HydrophobicContact CB-CD 4.21Å; P157-K166 VanDerWaalsContact O-CB 3.25Å; P157-K166 WeakPolarHBondContact O-CB 3.36Å; P157-K166 VanDerWaalsContact O-CG 3.25Å; P157-K166 WeakPolarHBondContact O-CG 3.49Å; P157-K166 PolarHBondContact O-N 2.76Å; D159-K166 HydrophobicContact CB-CG 3.98Å; D159-K166 WeakPolarHBondContact OD2-CE 3.41Å; D159-K166 IonicContact OD2-NZ 2.66Å; D159-K166 PolarHBondContact OD2-NZ 2.94Å; R164-K166 PolarHBondContact O-N 2.9Å; K166-F168 HydrophobicContact CB-CD1 4.01Å; K166-F168 HydrophobicContact CB-CE1 3.89Å; K166-F168 HydrophobicContact CB-CZ 4.44Å; K166-F168 HydrophobicContact CD-CE1 3.89Å; K166-F168 HydrophobicContact CD-CZ 4Å; K166-F168 HydrophobicContact CG-CE1 4.46Å; K166-F168 PolarHBondContact O-N 2.79Å
167N83.9Confident77.2Confident79 Ų7975 Ų7542%0.42235%0.351SS..SBendtrans-70.125.8178.2-56-4.9000112.6G130 G131 L132G130-N167 CarbonylContact C-O 3.46Å; G131-N167 PolarHBondContact N-O 3.47Å; L132-N167 PolarHBondContact N-O 2.88Å; L132-N167 WeakPolarHBondContact O-CA 3.15Å
168F87.7Confident77.5Confident59 Ų5973.1 Ų73.126%0.25934%0.339SS..EExtended strand (participates in β ladder)trans-149.9149.5171.267.6-92.1000111.4F128 V129 W156 P157 K166 F170F128-F168 HydrophobicContact CD2-CB 4.47Å; F128-F168 HydrophobicContact CD2-CD2 4.21Å; F128-F168 HydrophobicContact CE2-CB 3.57Å; F128-F168 AromaticContact CE2-CD2 3.56Å; F128-F168 HydrophobicContact CE2-CD2 3.56Å; F128-F168 HydrophobicContact CE2-CE2 4.35Å; F128-F168 AromaticContact CE2-CG 3.65Å; F128-F168 HydrophobicContact CE2-CG 3.65Å; F128-F168 HydrophobicContact CZ-CB 3.76Å; F128-F168 HydrophobicContact CZ-CD2 4.49Å; F128-F168 HydrophobicContact CZ-CG 4.16Å; V129-F168 CarbonylContact O-C 3.56Å; V129-F168 WeakPolarHBondContact O-CA 3.38Å; V129-F168 WeakPolarHBondContact O-CB 3.35Å; W156-F168 VanDerWaalsContact CD1-O 3.27Å; W156-F168 PolarHBondContact NE1-O 2.71Å; P157-F168 HydrophobicContact CB-CE2 4.33Å; P157-F168 HydrophobicContact CG-CE2 3.87Å; K166-F168 HydrophobicContact CB-CD1 4.01Å; K166-F168 HydrophobicContact CB-CE1 3.89Å; K166-F168 HydrophobicContact CB-CZ 4.44Å; K166-F168 HydrophobicContact CD-CE1 3.89Å; K166-F168 HydrophobicContact CD-CZ 4Å; K166-F168 HydrophobicContact CG-CE1 4.46Å; K166-F168 PolarHBondContact O-N 2.79Å; F168-F170 HydrophobicContact CD2-CE2 4.22Å; F168-F170 AromaticContact CE2-CE2 3.92Å; F168-F170 HydrophobicContact CE2-CE2 3.92Å; F168-F170 HydrophobicContact CE2-CZ 4.39Å
169A86.8Confident78Confident0 Ų068.5 Ų68.50%032%0.319CS..EExtended strand (participates in β ladder)trans-127.1171.9169.700000109.8V129 L132 L141 E155 W156V129-A169 PolarHBondContact N-O 2.78Å; V129-A169 PolarHBondContact O-N 2.98Å; L132-A169 HydrophobicContact CD1-CB 3.66Å; L141-A169 HydrophobicContact CD2-CB 3.85Å; E155-A169 CarbonylContact O-C 3.56Å; E155-A169 WeakPolarHBondContact O-CA 3.12Å; W156-A169 HydrophobicContact CB-CB 4.23Å; W156-A169 HydrophobicContact CD2-CB 3.96Å; W156-A169 HydrophobicContact CE3-CB 4.46Å; W156-A169 HydrophobicContact CG-CB 3.85Å
170F88Confident78.7Confident6 Ų668.4 Ų68.43%0.02633%0.325CS..EExtended strand (participates in β ladder)trans-122.2143.7162.2-55.4-94.6000109.9K126 V127 F128 I154 E155 P157 F168 A200K126-F170 HydrophobicContact CD-CB 4.31Å; K126-F170 HydrophobicContact CD-CD1 4.44Å; K126-F170 VanDerWaalsContact CE-CG 3.44Å; K126-F170 HydrophobicContact CG-CB 4.09Å; K126-F170 HydrophobicContact CG-CD1 4.35Å; V127-F170 CarbonylContact O-C 3.57Å; V127-F170 WeakPolarHBondContact O-CA 3.08Å; F128-F170 HydrophobicContact CB-CD1 3.96Å; F128-F170 HydrophobicContact CB-CE1 4.06Å; F128-F170 HydrophobicContact CD2-CD1 4.04Å; F128-F170 AromaticContact CD2-CE1 3.65Å; F128-F170 HydrophobicContact CD2-CE1 3.65Å; F128-F170 HydrophobicContact CD2-CZ 4.03Å; F128-F170 HydrophobicContact CG-CE1 4.33Å; I154-F170 WeakPolarHBondContact CA-O 3.38Å; E155-F170 HydrophobicContact CB-CB 4.28Å; E155-F170 HydrophobicContact CB-CD2 4.39Å; E155-F170 PolarHBondContact N-O 3.47Å; E155-F170 PolarHBondContact O-N 2.95Å; P157-F170 HydrophobicContact CG-CD2 4.45Å; P157-F170 HydrophobicContact CG-CE2 4.33Å; F168-F170 HydrophobicContact CD2-CE2 4.22Å; F168-F170 AromaticContact CE2-CE2 3.92Å; F168-F170 HydrophobicContact CE2-CE2 3.92Å; F168-F170 HydrophobicContact CE2-CZ 4.39Å; F170-A200 HydrophobicContact CD1-CB 3.74Å; F170-A200 HydrophobicContact CE1-CB 4Å
171V88Confident79.6Confident0 Ų065.9 Ų65.90%031%0.311CS..EExtended strand (participates in β ladder)trans-122.4121.2177.5-177.20000107.8K126 V127 V129 L141 F145 V151 I154 F173K126-V171 CarbonylContact C-O 3.5Å; K126-V171 WeakPolarHBondContact CA-O 3.25Å; V127-V171 PolarHBondContact N-O 2.94Å; V127-V171 PolarHBondContact O-N 3.02Å; V129-V171 HydrophobicContact CG2-CG2 4.06Å; L141-V171 HydrophobicContact CD2-CG2 4.5Å; F145-V171 HydrophobicContact CB-CG1 3.99Å; F145-V171 HydrophobicContact CD2-CB 4.36Å; F145-V171 HydrophobicContact CD2-CG1 4.3Å; F145-V171 HydrophobicContact CD2-CG2 3.65Å; F145-V171 HydrophobicContact CE2-CG2 3.9Å; F145-V171 HydrophobicContact CG-CB 4.47Å; F145-V171 HydrophobicContact CG-CG1 4.12Å; F145-V171 HydrophobicContact CG-CG2 4.24Å; V151-V171 HydrophobicContact CB-CG1 4.48Å; V151-V171 HydrophobicContact CG1-CG1 3.8Å; V151-V171 HydrophobicContact CG2-CG1 3.87Å; I154-V171 HydrophobicContact CG1-CG1 4.31Å; I154-V171 HydrophobicContact CG1-CG2 4.32Å; V171-F173 HydrophobicContact CB-CE2 4.43Å; V171-F173 HydrophobicContact CG1-CD2 4.37Å; V171-F173 HydrophobicContact CG1-CE2 3.95Å; V171-F173 HydrophobicContact CG1-CZ 4.28Å
172V85.4Confident80.8Confident12 Ų1256.4 Ų56.47%0.07327%0.269CS..EExtended strand (participates in β ladder)trans-95.9128174.6-171.70000107.7K126 D152 E153K126-V172 HydrophobicContact CB-CG2 4.37Å; K126-V172 HydrophobicContact CD-CG2 4.1Å; K126-V172 HydrophobicContact CG-CG2 3.98Å; D152-V172 HydrophobicContact CB-CB 4.44Å; D152-V172 HydrophobicContact CB-CG1 4.21Å; D152-V172 PolarHBondContact N-O 3.46Å; E153-V172 HydrophobicContact CB-CB 4.02Å; E153-V172 HydrophobicContact CB-CG2 4.1Å; E153-V172 PolarHBondContact N-O 3.25Å; E153-V172 PolarHBondContact O-N 2.78Å
173F85.9Confident81.8Confident2 Ų250.7 Ų50.71%0.00925%0.245CC..EExtended strand (participates in β ladder)trans-97.8154.9173.5-71.2-93.5000110.9K125 V127 F145 F148 G149 K150 V151 V171 D175 A178 A179 A182K125-F173 PolarHBondContact O-N 3.3Å; V127-F173 HydrophobicContact CB-CE2 4.26Å; V127-F173 HydrophobicContact CG2-CD2 3.98Å; V127-F173 HydrophobicContact CG2-CE2 3.66Å; F145-F173 HydrophobicContact CB-CE1 4.29Å; F145-F173 HydrophobicContact CB-CZ 3.82Å; F145-F173 HydrophobicContact CD1-CE2 4.39Å; F145-F173 AromaticContact CD1-CZ 3.85Å; F145-F173 HydrophobicContact CD1-CZ 3.85Å; F145-F173 HydrophobicContact CG-CZ 4.18Å; F145-F173 WeakPolarHBondContact O-CE1 3.3Å; F148-F173 HydrophobicContact CB-CE1 4.24Å; F148-F173 HydrophobicContact CB-CZ 4.35Å; G149-F173 WeakPolarHBondContact O-CD1 3.39Å; G149-F173 WeakPolarHBondContact O-CE1 3.32Å; K150-F173 WeakPolarHBondContact O-CA 3.43Å; V151-F173 HydrophobicContact CG2-CD1 4.38Å; V151-F173 HydrophobicContact CG2-CE1 4.14Å; V171-F173 HydrophobicContact CB-CE2 4.43Å; V171-F173 HydrophobicContact CG1-CD2 4.37Å; V171-F173 HydrophobicContact CG1-CE2 3.95Å; V171-F173 HydrophobicContact CG1-CZ 4.28Å; F173-D175 WeakPolarHBondContact CB-O 3.48Å; F173-D175 PolarHBondContact O-N 3.38Å; F173-A178 HydrophobicContact CB-CB 4.1Å; F173-A178 HydrophobicContact CD1-CB 3.43Å; F173-A178 VanDerWaalsContact CD1-CB 3.43Å; F173-A178 HydrophobicContact CE1-CB 3.98Å; F173-A178 HydrophobicContact CG-CB 3.9Å; F173-A179 HydrophobicContact CB-CB 4.41Å; F173-A179 HydrophobicContact CD2-CB 3.76Å; F173-A179 HydrophobicContact CE2-CB 4.41Å; F173-A179 HydrophobicContact CG-CB 4.33Å; F173-A182 HydrophobicContact CE2-CB 4.1Å; F173-A182 HydrophobicContact CZ-CB 3.96Å
174D81Confident82.6Confident42 Ų4248.1 Ų48.123%0.22524%0.243CC..SBendtrans-67.2-28.1168.8-158-0.4000110.6K125 K150K125-D174 WeakPolarHBondContact CD-O 3.44Å; K125-D174 WeakPolarHBondContact CE-O 3.07Å; K125-D174 PolarHBondContact NZ-O 3.47Å; K150-D174 HydrophobicContact CB-CB 4.31Å; K150-D174 HydrophobicContact CD-CB 4.05Å; K150-D174 WeakPolarHBondContact CD-OD2 3.37Å; K150-D174 WeakPolarHBondContact CE-OD2 3.13Å; K150-D174 HydrophobicContact CG-CB 4.28Å; K150-D174 IonicContact NZ-OD2 3.82Å; K150-D174 PolarHBondContact NZ-OD2 3.31Å; K150-D174 PolarHBondContact O-N 3.39Å
175D78.3Confident83.3Confident79 Ų7944 Ų4442%0.42224%0.236SC..  trans-120.3142.7-177.8-58.9-51.8000113F173 A178 A179F173-D175 WeakPolarHBondContact CB-O 3.48Å; F173-D175 PolarHBondContact O-N 3.38Å; D175-A178 HydrophobicContact CB-CB 4.18Å; D175-A178 PolarHBondContact O-N 3.35Å; D175-A179 PolarHBondContact O-N 3.26Å
176D78.6Confident83.7Confident56 Ų5643.7 Ų43.730%0.29924%0.243SC..Hα-helixtrans-81.2-29179.262.3-56.4000111.8N124 K125 A178 A179 G180N124-D176 HydrophobicContact CB-CB 4.4Å; K125-D176 HydrophobicContact CD-CB 4.36Å; K125-D176 VanDerWaalsContact CE-N 3.29Å; K125-D176 HydrophobicContact CG-CB 3.64Å; D176-A178 PolarHBondContact O-N 2.83Å; D176-A179 PolarHBondContact O-N 3.45Å; D176-G180 PolarHBondContact O-N 2.85Å
177E80.8Confident84Confident138 Ų13848 Ų4865%0.64526%0.262SS*.Hα-helixtrans-57.6-39.7167.1-67.4-161.6161.900111.8G180 R181E177-G180 PolarHBondContact O-N 3.17Å; E177-R181 WeakPolarHBondContact O-CG 3.42Å; E177-R181 PolarHBondContact O-N 3.32Å
178A85.1Confident84Confident1 Ų144.9 Ų44.91%0.00825%0.245CC..Hα-helixtrans-65.9-44.1178.200000111.6F148 F173 D175 D176 G180 R181 A182F148-A178 WeakPolarHBondContact O-CA 3.35Å; F148-A178 WeakPolarHBondContact O-CB 3.07Å; F173-A178 HydrophobicContact CB-CB 4.1Å; F173-A178 HydrophobicContact CD1-CB 3.43Å; F173-A178 VanDerWaalsContact CD1-CB 3.43Å; F173-A178 HydrophobicContact CE1-CB 3.98Å; F173-A178 HydrophobicContact CG-CB 3.9Å; D175-A178 HydrophobicContact CB-CB 4.18Å; D175-A178 PolarHBondContact O-N 3.35Å; D176-A178 PolarHBondContact O-N 2.83Å; A178-G180 VanDerWaalsContact C-N 3.31Å; A178-G180 PolarHBondContact O-N 3.14Å; A178-R181 PolarHBondContact O-N 3.49Å; A178-A182 WeakPolarHBondContact O-CB 3.48Å; A178-A182 PolarHBondContact O-N 3.48Å
179A83.8Confident83.5Confident0 Ų050.2 Ų50.20%026%0.263CS..Hα-helixtrans-61.8-38.4171.700000112.5N124 V127 F173 D175 D176 A182 A183 I199N124-A179 WeakPolarHBondContact O-CB 3.47Å; V127-A179 HydrophobicContact CG2-CB 3.59Å; V127-A179 WeakPolarHBondContact CG2-O 3.29Å; F173-A179 HydrophobicContact CB-CB 4.41Å; F173-A179 HydrophobicContact CD2-CB 3.76Å; F173-A179 HydrophobicContact CE2-CB 4.41Å; F173-A179 HydrophobicContact CG-CB 4.33Å; D175-A179 PolarHBondContact O-N 3.26Å; D176-A179 PolarHBondContact O-N 3.45Å; A179-A182 PolarHBondContact O-N 2.81Å; A179-A183 WeakPolarHBondContact O-CB 3.41Å; A179-A183 PolarHBondContact O-N 3.34Å; A179-I199 HydrophobicContact CB-CD1 4.33Å; A179-I199 WeakPolarHBondContact O-CD1 3.49Å
180G83.7Confident83Confident32 Ų3250.3 Ų50.333%0.3326%0.264SS..Hα-helixtrans-62.2-49.4174.100000112.5D176 E177 A178 A182 A183 A184D176-G180 PolarHBondContact O-N 2.85Å; E177-G180 PolarHBondContact O-N 3.17Å; A178-G180 VanDerWaalsContact C-N 3.31Å; A178-G180 PolarHBondContact O-N 3.14Å; G180-A182 VanDerWaalsContact C-N 3.34Å; G180-A182 PolarHBondContact O-N 2.67Å; G180-A183 PolarHBondContact O-N 2.96Å; G180-A184 WeakPolarHBondContact O-CB 3.48Å; G180-A184 PolarHBondContact O-N 2.86Å
181R85.9Confident82.2Confident135 Ų13552.5 Ų52.551%0.50929%0.288SS..Hα-helixtrans-60.8-40.7175.6-71.9-169.5-63.3-133.12.9112F148 E177 A178 A184F148-R181 HydrophobicContact CB-CB 4.46Å; F148-R181 HydrophobicContact CD1-CB 4.13Å; F148-R181 PolarHBondContact O-NE 3.27Å; F148-R181 VanDerWaalsContact O-NE 3.15Å; F148-R181 PolarHBondContact O-NH2 2.78Å; E177-R181 WeakPolarHBondContact O-CG 3.42Å; E177-R181 PolarHBondContact O-N 3.32Å; A178-R181 PolarHBondContact O-N 3.49Å; R181-A184 PolarHBondContact O-N 2.77Å
182A86.1Confident81.6Confident0 Ų061 Ų610%033%0.328CS..Hα-helixtrans-63.6-46.4174.600000111.9V127 F145 F148 F173 A178 A179 G180 A184 A185 Q188 V197V127-A182 HydrophobicContact CG2-CB 4.25Å; F145-A182 HydrophobicContact CD1-CB 4.06Å; F145-A182 HydrophobicContact CE1-CB 4.1Å; F148-A182 HydrophobicContact CB-CB 4.13Å; F148-A182 HydrophobicContact CD1-CB 4.46Å; F148-A182 HydrophobicContact CD2-CB 3.83Å; F148-A182 HydrophobicContact CE2-CB 4.33Å; F148-A182 HydrophobicContact CG-CB 3.9Å; F173-A182 HydrophobicContact CE2-CB 4.1Å; F173-A182 HydrophobicContact CZ-CB 3.96Å; A178-A182 WeakPolarHBondContact O-CB 3.48Å; A178-A182 PolarHBondContact O-N 3.48Å; A179-A182 PolarHBondContact O-N 2.81Å; G180-A182 VanDerWaalsContact C-N 3.34Å; G180-A182 PolarHBondContact O-N 2.67Å; A182-A184 VanDerWaalsContact C-N 3.35Å; A182-A184 PolarHBondContact O-N 3.39Å; A182-A185 PolarHBondContact O-N 2.99Å; A182-Q188 PolarHBondContact O-NE2 3.07Å; A182-V197 HydrophobicContact CB-CG1 4.47Å; A182-V197 WeakPolarHBondContact O-CG1 3.42Å
183A85.4Confident81.2Confident18 Ų1866 Ų6615%0.14935%0.345CS..Hα-helixtrans-74.3-19.7179.400000114.5A179 G180 A185 I199A179-A183 WeakPolarHBondContact O-CB 3.41Å; A179-A183 PolarHBondContact O-N 3.34Å; G180-A183 PolarHBondContact O-N 2.96Å; A183-A185 PolarHBondContact O-N 3.41Å; A183-I199 HydrophobicContact CB-CD1 3.53Å; A183-I199 HydrophobicContact CB-CG1 3.65Å
184A83.8Confident81.1Confident80 Ų8070.9 Ų70.966%0.66138%0.375SS*.Hα-helixtrans-66.5-20.7174.700000113.1G180 R181 A182 P186G180-A184 WeakPolarHBondContact O-CB 3.48Å; G180-A184 PolarHBondContact O-N 2.86Å; R181-A184 PolarHBondContact O-N 2.77Å; A182-A184 VanDerWaalsContact C-N 3.35Å; A182-A184 PolarHBondContact O-N 3.39Å; A184-P186 VanDerWaalsContact C-CD 3.5Å; A184-P186 WeakPolarHBondContact O-CD 3.39Å
185A83.7Confident81.3Confident38 Ų3869 Ų6931%0.31437%0.365SS..SBendtrans-102.683.9167.700000109.7A182 A183 K187 Q188A182-A185 PolarHBondContact O-N 2.99Å; A183-A185 PolarHBondContact O-N 3.41Å; A185-K187 PolarHBondContact O-N 3.15Å; A185-K187 VanDerWaalsContact O-N 3.07Å; A185-Q188 HydrophobicContact CB-CG 4.19Å; A185-Q188 WeakPolarHBondContact O-CG 3.21Å
186P79.6Confident81.7Confident69 Ų6968.3 Ų68.345%0.44836%0.361SS..SBendtrans-70.7-9-167.427.9-37.4000115.3A184 D196 V197A184-P186 VanDerWaalsContact C-CD 3.5Å; A184-P186 WeakPolarHBondContact O-CD 3.39Å; P186-D196 WeakPolarHBondContact O-CA 3.39Å; P186-V197 VanDerWaalsContact CA-O 3.3Å; P186-V197 WeakPolarHBondContact CA-O 3.34Å; P186-V197 PolarHBondContact O-N 3.2Å
187K83.5Confident82.2Confident163 Ų16365.6 Ų65.671%0.70935%0.347SS*.EExtended strand (participates in β ladder)trans-130110.2173-67.2-179-179.51770108.7A185 C195A185-K187 PolarHBondContact O-N 3.15Å; A185-K187 VanDerWaalsContact O-N 3.07Å; K187-C195 WeakPolarHBondContact CA-O 3.38Å
188Q83.4Confident82.5Confident12 Ų1263.8 Ų63.86%0.05634%0.337CS..EExtended strand (participates in β ladder)trans-116.7150.7177.4-61.3-1797.200109.8H144 A182 A185 F190 C195 V197H144-Q188 PolarHBondContact NE2-OE1 3.45Å; A182-Q188 PolarHBondContact O-NE2 3.07Å; A185-Q188 HydrophobicContact CB-CG 4.19Å; A185-Q188 WeakPolarHBondContact O-CG 3.21Å; Q188-F190 HydrophobicContact CB-CD2 4.36Å; Q188-F190 HydrophobicContact CB-CE2 3.64Å; Q188-F190 HydrophobicContact CB-CZ 4.21Å; Q188-C195 PolarHBondContact N-O 3.08Å; Q188-C195 PolarHBondContact O-N 2.8Å; Q188-V197 HydrophobicContact CB-CG2 3.88Å; Q188-V197 HydrophobicContact CG-CB 4.3Å; Q188-V197 HydrophobicContact CG-CG2 3.72Å
189R77.8Confident82.5Confident171 Ų17166.7 Ų66.765%0.64535%0.352SS*.EExtended strand (participates in β ladder)trans-105.5110.8-174.3-171.7178.2179.4-133.8-0.9111.2G191 R193R189-G191 WeakPolarHBondContact CG-O 3.37Å; R189-G191 PolarHBondContact NE-O 3.26Å; R189-R193 CarbonylContact C-O 3.6Å; R189-R193 WeakPolarHBondContact CA-O 3.47Å
190F76Confident82.3Confident3 Ų367.3 Ų67.31%0.01336%0.357CS..EExtended strand (participates in β ladder)trans-10599.8179-65.3-91.8000109.4V129 L132 F136 L141 H144 F145 Q188 E192 R193 C195 V197V129-F190 HydrophobicContact CG1-CE2 4.09Å; V129-F190 HydrophobicContact CG1-CZ 4.27Å; L132-F190 HydrophobicContact CD2-CB 4.16Å; L132-F190 HydrophobicContact CD2-CD1 4.29Å; L132-F190 HydrophobicContact CD2-CD2 4.08Å; L132-F190 HydrophobicContact CD2-CG 3.92Å; F136-F190 HydrophobicContact CD2-CB 4.41Å; F136-F190 HydrophobicContact CE1-CB 4.25Å; F136-F190 AromaticContact CE1-CD1 3.79Å; F136-F190 HydrophobicContact CE1-CD1 3.79Å; F136-F190 HydrophobicContact CE1-CG 4.45Å; F136-F190 HydrophobicContact CE2-CB 3.95Å; F136-F190 HydrophobicContact CZ-CB 3.86Å; F136-F190 AromaticContact CZ-CD1 3.79Å; F136-F190 HydrophobicContact CZ-CD1 3.79Å; F136-F190 HydrophobicContact CZ-CG 4.31Å; L141-F190 HydrophobicContact CD1-CD1 3.98Å; L141-F190 HydrophobicContact CD1-CE1 3.73Å; L141-F190 HydrophobicContact CD1-CZ 4.32Å; H144-F190 HydrophobicContact CB-CE1 3.88Å; H144-F190 AromaticContact CD2-CE1 3.39Å; H144-F190 WeakPolarHBondContact CD2-CE1 3.36Å; H144-F190 AromaticContact CD2-CZ 3.5Å; H144-F190 AromaticContact CG-CE1 3.7Å; F145-F190 HydrophobicContact CE1-CZ 4.4Å; F145-F190 AromaticContact CE2-CE1 3.9Å; F145-F190 HydrophobicContact CE2-CE1 3.9Å; F145-F190 AromaticContact CE2-CZ 3.6Å; F145-F190 HydrophobicContact CE2-CZ 3.6Å; F145-F190 HydrophobicContact CZ-CE1 4.26Å; F145-F190 HydrophobicContact CZ-CE2 4.38Å; F145-F190 AromaticContact CZ-CZ 3.51Å; F145-F190 HydrophobicContact CZ-CZ 3.51Å; Q188-F190 HydrophobicContact CB-CD2 4.36Å; Q188-F190 HydrophobicContact CB-CE2 3.64Å; Q188-F190 HydrophobicContact CB-CZ 4.21Å; F190-E192 PolarHBondContact O-N 3.28Å; F190-R193 PolarHBondContact N-O 3.43Å; F190-R193 PolarHBondContact O-N 3.39Å; F190-C195 HydrophobicContact CD2-CB 3.55Å; F190-C195 HydrophobicContact CE2-CB 3.89Å; F190-V197 HydrophobicContact CE2-CG2 4.23Å
191G71.5Confident81.8Confident51 Ų5169.2 Ų69.253%0.52636%0.362SS..THydrogen-bonded Turntrans64.2-120.9-168.800000110.5R189R189-G191 WeakPolarHBondContact CG-O 3.37Å; R189-G191 PolarHBondContact NE-O 3.26Å
192E73.4Confident80.8Confident179 Ų17965.4 Ų65.484%0.83635%0.354SS*.THydrogen-bonded Turntrans-85.3-22.7179.7-64.3-177.8161.200113.5F190F190-E192 PolarHBondContact O-N 3.28Å
193R77.8Confident79.5Confident118 Ų11872.4 Ų72.445%0.44539%0.387SS..EExtended strand (participates in β ladder)trans-91.1138-173.8-65.2-167.7-175.8177.4-0.4113.3G131 P133 R189 F190G131-R193 WeakPolarHBondContact O-CD 3.34Å; P133-R193 HydrophobicContact CG-CB 4.45Å; P133-R193 HydrophobicContact CG-CG 4.23Å; R189-R193 CarbonylContact C-O 3.6Å; R189-R193 WeakPolarHBondContact CA-O 3.47Å; F190-R193 PolarHBondContact N-O 3.43Å; F190-R193 PolarHBondContact O-N 3.39Å
194T84.8Confident78.3Confident104 Ų10479.5 Ų79.564%0.63842%0.415SS*.EExtended strand (participates in β ladder)trans-75135.2159.547.20000109.8
195C85.1Confident77.1Confident1 Ų181.7 Ų81.71%0.00741%0.413CS..EExtended strand (participates in β ladder)trans-126.8139.7-179.4-60.80000110.1G130 G131 K187 Q188 F190G130-C195 CarbonylContact O-C 3.57Å; G130-C195 WeakPolarHBondContact O-CA 3.25Å; G130-C195 WeakPolarHBondContact O-CB 3.3Å; G131-C195 VanDerWaalsContact C-SG 3.55Å; K187-C195 WeakPolarHBondContact CA-O 3.38Å; Q188-C195 PolarHBondContact N-O 3.08Å; Q188-C195 PolarHBondContact O-N 2.8Å; F190-C195 HydrophobicContact CD2-CB 3.55Å; F190-C195 HydrophobicContact CE2-CB 3.89Å
196D86.7Confident75.8Confident65 Ų6583.9 Ų83.935%0.34841%0.413SS..EExtended strand (participates in β ladder)trans-77.8118.3175.8-80.9-99.8000110.6V129 G130 P186 K198V129-D196 CarbonylContact C-O 3.33Å; V129-D196 WeakPolarHBondContact CA-O 3.44Å; G130-D196 PolarHBondContact N-O 3.44Å; G130-D196 PolarHBondContact O-N 3.41Å; P186-D196 WeakPolarHBondContact O-CA 3.39Å; D196-K198 WeakPolarHBondContact OD1-CE 3.47Å; D196-K198 IonicContact OD1-NZ 2.62Å; D196-K198 PolarHBondContact OD1-NZ 2.89Å
197V89Confident74.8Confident0 Ų086.6 Ų86.60%043%0.431CS..EExtended strand (participates in β ladder)trans-114116.4179.7-174.50000109.6V127 F128 V129 F145 A182 P186 Q188 F190V127-V197 HydrophobicContact CG1-CG1 3.42Å; V127-V197 VanDerWaalsContact CG1-CG1 3.42Å; F128-V197 WeakPolarHBondContact O-CA 3.49Å; V129-V197 HydrophobicContact CG1-CG2 4.26Å; F145-V197 HydrophobicContact CE1-CG1 3.95Å; F145-V197 HydrophobicContact CZ-CG1 4.22Å; F145-V197 HydrophobicContact CZ-CG2 4.28Å; A182-V197 HydrophobicContact CB-CG1 4.47Å; A182-V197 WeakPolarHBondContact O-CG1 3.42Å; P186-V197 VanDerWaalsContact CA-O 3.3Å; P186-V197 WeakPolarHBondContact CA-O 3.34Å; P186-V197 PolarHBondContact O-N 3.2Å; Q188-V197 HydrophobicContact CB-CG2 3.88Å; Q188-V197 HydrophobicContact CG-CB 4.3Å; Q188-V197 HydrophobicContact CG-CG2 3.72Å; F190-V197 HydrophobicContact CE2-CG2 4.23Å
198K85.8Confident73.5Confident100 Ų10087.8 Ų87.844%0.43544%0.439SS..EExtended strand (participates in β ladder)trans-144.4150.2-170.4-60.6178.7-174.3165.60110.2F128 D196 A200F128-K198 PolarHBondContact N-O 2.94Å; F128-K198 PolarHBondContact O-N 2.88Å; D196-K198 WeakPolarHBondContact OD1-CE 3.47Å; D196-K198 IonicContact OD1-NZ 2.62Å; D196-K198 PolarHBondContact OD1-NZ 2.89Å; K198-A200 PolarHBondContact O-N 2.76Å
199I86Confident72.4Confident61 Ų6196.3 Ų96.331%0.31348%0.476SS..EExtended strand (participates in β ladder)trans-55.6131.3170.9-60.1-62.5000108.8A179 A183 V201A179-I199 HydrophobicContact CB-CD1 4.33Å; A179-I199 WeakPolarHBondContact O-CD1 3.49Å; A183-I199 HydrophobicContact CB-CD1 3.53Å; A183-I199 HydrophobicContact CB-CG1 3.65Å; I199-V201 PolarHBondContact O-N 3.31Å
200A79Confident71.2Confident13 Ų1393.8 Ų93.811%0.10748%0.482CS..  trans-73.999-170.600000111.2K126 F128 F170 K198 P202K126-A200 HydrophobicContact CB-CB 4Å; K126-A200 HydrophobicContact CD-CB 4.37Å; K126-A200 HydrophobicContact CG-CB 3.74Å; K126-A200 WeakPolarHBondContact O-CB 3.38Å; K126-A200 PolarHBondContact O-N 3Å; F128-A200 HydrophobicContact CB-CB 4.08Å; F170-A200 HydrophobicContact CD1-CB 3.74Å; F170-A200 HydrophobicContact CE1-CB 4Å; K198-A200 PolarHBondContact O-N 2.76Å; A200-P202 VanDerWaalsContact O-CD 3.29Å; A200-P202 WeakPolarHBondContact O-CD 3.3Å; A200-P202 VanDerWaalsContact O-N 3.13Å
201V73.5Confident70.4Confident73 Ų7397.6 Ų97.644%0.44251%0.513SS..  trans-53118.2168.6179.70000109.1I199 M205 R206I199-V201 PolarHBondContact O-N 3.31Å; V201-M205 HydrophobicContact CG1-CB 3.61Å; V201-R206 HydrophobicContact CG1-CG 4.3Å; V201-R206 PolarHBondContact O-NE 3.11Å; V201-R206 VanDerWaalsContact O-NE 3.07Å
202P64.6Low69.8Low54 Ų54101.2 Ų101.235%0.35153%0.528SS..  trans-55.7148.2179.9-27.536.1000111.9A200 F204 M205 R206A200-P202 VanDerWaalsContact O-CD 3.29Å; A200-P202 WeakPolarHBondContact O-CD 3.3Å; A200-P202 VanDerWaalsContact O-N 3.13Å; P202-F204 HydrophobicContact CB-CD1 3.67Å; P202-F204 HydrophobicContact CB-CE1 3.34Å; P202-F204 HydrophobicContact CB-CZ 3.96Å; P202-F204 HydrophobicContact CG-CE1 4.06Å; P202-F204 HydrophobicContact CG-CZ 4.31Å; P202-F204 PolarHBondContact O-N 3.33Å; P202-F204 VanDerWaalsContact O-N 3.11Å; P202-M205 PolarHBondContact O-N 3.36Å; P202-R206 PolarHBondContact O-N 3.27Å
203Q60.1Low68.9Low148 Ų14898.7 Ų98.769%0.69253%0.525SS*.G310 helixtrans-58.9-31.4-172.1-67.8-173.70.300113.6M205 R206Q203-M205 PolarHBondContact O-N 3.16Å; Q203-R206 WeakPolarHBondContact O-CB 3.42Å; Q203-R206 PolarHBondContact O-N 3.06Å; Q203-R206 VanDerWaalsContact O-N 3.15Å
204F59.6Low67.8Low167 Ų167101.4 Ų101.473%0.73254%0.54SS*.G310 helixtrans-69.8-14.2176.969.3-96000114.7P202P202-F204 HydrophobicContact CB-CD1 3.67Å; P202-F204 HydrophobicContact CB-CE1 3.34Å; P202-F204 HydrophobicContact CB-CZ 3.96Å; P202-F204 HydrophobicContact CG-CE1 4.06Å; P202-F204 HydrophobicContact CG-CZ 4.31Å; P202-F204 PolarHBondContact O-N 3.33Å; P202-F204 VanDerWaalsContact O-N 3.11Å
205M57.2Low66.2Low125 Ų125101.1 Ų101.162%0.61654%0.542SS*.G310 helixtrans-100.3-3172.9-74.7178.4165.600112.9V201 P202 Q203V201-M205 HydrophobicContact CG1-CB 3.61Å; P202-M205 PolarHBondContact O-N 3.36Å; Q203-M205 PolarHBondContact O-N 3.16Å
206R57Low64.4Low84 Ų84105.5 Ų105.532%0.31757%0.57SS.*SBendtrans-79.8127.2177.5-66.3-177.1174.8-138.6-14.8108.7V201 P202 Q203 Q208V201-R206 HydrophobicContact CG1-CG 4.3Å; V201-R206 PolarHBondContact O-NE 3.11Å; V201-R206 VanDerWaalsContact O-NE 3.07Å; P202-R206 PolarHBondContact O-N 3.27Å; Q203-R206 WeakPolarHBondContact O-CB 3.42Å; Q203-R206 PolarHBondContact O-N 3.06Å; Q203-R206 VanDerWaalsContact O-N 3.15Å; R206-Q208 PolarHBondContact O-N 2.82Å; R206-Q208 VanDerWaalsContact O-N 3.1Å
207P58.3Low62.4Low126 Ų126106.2 Ų106.282%0.81859%0.594SS**PPolyproline II helixtrans-55.1121.5165.6-21.632.6000108.1K209P207-K209 PolarHBondContact O-N 2.89Å
208Q56.5Low60.2Low188 Ų188116.8 Ų116.888%0.87963%0.634SS**PPolyproline II helixtrans-61.1123.1164.4-68.1-172.3-1.800106R206R206-Q208 PolarHBondContact O-N 2.82Å; R206-Q208 VanDerWaalsContact O-N 3.1Å
209K59.8Low58.2Low192 Ų192116.4 Ų116.484%0.83565%0.649SS**PPolyproline II helixtrans-56.2133.3164.1-77.8-168.2171.4-167.10106.4P207 A211P207-K209 PolarHBondContact O-N 2.89Å; K209-A211 PolarHBondContact O-N 3.43Å
210P54.2Low56.1Low118 Ų118119.2 Ų119.277%0.76667%0.669SS**PPolyproline II helixtrans-52.5133.6169.423.8-32.7000107.6
211A58.4Low54.3Low82 Ų82123.8 Ų123.868%0.67871%0.707SS**PPolyproline II helixtrans-54.6140.3174.300000108.1K209 T213K209-A211 PolarHBondContact O-N 3.43Å; A211-T213 PolarHBondContact O-N 2.97Å
212P58.6Low52.9Low127 Ų127129 Ų12983%0.82573%0.727SS**  trans-58.9111.2-17824.3-33.3000108.9F214P212-F214 PolarHBondContact O-N 3.29Å
213T54.8Low51.6Low126 Ų126137.1 Ų137.177%0.77375%0.752SS**  trans-62.3107-179-44.60000108.3A211 S215A211-T213 PolarHBondContact O-N 2.97Å; T213-S215 VanDerWaalsContact C-N 3.31Å; T213-S215 PolarHBondContact O-N 3.39Å
214F53.7Low50.7Low176 Ų176137.9 Ų137.977%0.77276%0.761SS**  trans-71.390.4176.2-179.4-95.5000108.5P212 P216P212-F214 PolarHBondContact O-N 3.29Å; F214-P216 HydrophobicContact CD1-CG 4.14Å; F214-P216 HydrophobicContact CE1-CB 4.12Å; F214-P216 HydrophobicContact CE1-CG 4.21Å; F214-P216 WeakPolarHBondContact O-CD 3.42Å
215S52.2Low49.9Very low98 Ų98132.9 Ų132.969%0.68576%0.756SS**  trans-69.5112.5169.8-66.80000109T213 G217T213-S215 VanDerWaalsContact C-N 3.31Å; T213-S215 PolarHBondContact O-N 3.39Å; S215-G217 VanDerWaalsContact C-N 3.31Å; S215-G217 PolarHBondContact O-N 2.88Å
216P48Very low49.1Very low92 Ų92138.4 Ų138.460%0.59777%0.772SS**  trans-78.684.8178.8-6.426.1000108.6F214 W218F214-P216 HydrophobicContact CD1-CG 4.14Å; F214-P216 HydrophobicContact CE1-CB 4.12Å; F214-P216 HydrophobicContact CE1-CG 4.21Å; F214-P216 WeakPolarHBondContact O-CD 3.42Å; P216-W218 PolarHBondContact O-N 3.27Å; P216-W218 VanDerWaalsContact O-N 3.07Å
217G43.2Very low48.2Very low81 Ų81142.1 Ų142.184%0.83580%0.798SS**  trans-73.990.4174.400000110.9S215S215-G217 VanDerWaalsContact C-N 3.31Å; S215-G217 PolarHBondContact O-N 2.88Å
218W42.7Very low47.2Very low221 Ų221145.9 Ų145.984%0.83780%0.798SS**  trans-82.1135.6176.344.2-92.7000111.2P216P216-W218 PolarHBondContact O-N 3.27Å; P216-W218 VanDerWaalsContact O-N 3.07Å
219A44.3Very low46.6Very low92 Ų92143.5 Ų143.576%0.7679%0.791SS**  trans57.3163.617300000116.1
220T42.4Very low45.8Very low120 Ų120141.8 Ų141.874%0.73679%0.786SS**  cis-137.2139-3.6158.30000108.3Q222T220-Q222 PolarHBondContact O-N 3.21Å
221A41.2Very low45.4Very low109 Ų109146.5 Ų146.590%0.90179%0.79SS**  trans-88.697.3171.500000109
222Q45Very low44.7Very low184 Ų184148.1 Ų148.186%0.8679%0.794SS**  trans-102.5129.4166.4-162.9167.5-68.300110.3T220T220-Q222 PolarHBondContact O-N 3.21Å
223Y36.6Very low44Very low223 Ų223145.6 Ų145.688%0.87579%0.791SS**  trans-92.7116.5-169.7-160.7-88000109.3
224D41.1Very low43.3Very low165 Ų165151 Ų15188%0.88280%0.798SS**  trans-167.9167.4156.7-132.2-43.5000113.8
225G41.7Very low42.5Very low62 Ų62145.9 Ų145.964%0.63980%0.796SS**  trans83.485.2156.100000117.7
226Y40.5Very low41.9Very low240 Ų240152.9 Ų152.994%0.94181%0.809SS**  trans-61.5136.6163-66.4-97.6000111.7
227N38.8Very low41.6Very low163 Ų163152.2 Ų152.287%0.87282%0.818SS**  trans-145154150.5-147.2-25.9000111.2
228Y38.5Very low41.2Very low205 Ų205158.8 Ų158.880%0.80482%0.82SS**  trans-113.2169-174.9-134-103.3000109.4
229N43.4Very low41.1Very low137 Ų137158.6 Ų158.673%0.73382%0.82SS**  trans66.7152-178.5-73.4-9.2000115.1
230Q43.6Very low40.6Very low156 Ų156160.1 Ų160.173%0.72982%0.815SS**  cis-167.7126.6-14.2162.8175.217.500110
231Y44.4Very low40.6Very low218 Ų218160.9 Ų160.986%0.85582%0.815SS**  trans52.7134.9166.3-94.2-102.5000120.1G233Y231-G233 PolarHBondContact O-N 3.31Å
232P44.7Very low40.5Very low116 Ų116165.1 Ų165.175%0.75381%0.809SS**  trans-77.5114.2-179.231-34.2000112.9
233G42.8Very low40.2Very low74 Ų74166.5 Ų166.576%0.76381%0.813SS**  trans-88.3145.116500000112.1Y231Y231-G233 PolarHBondContact O-N 3.31Å
234Y40.1Very low40.4Very low238 Ų238160.9 Ų160.993%0.93381%0.806SS**  trans-88.6129.5178.7-68.8-102.2000111.2
235G38.2Very low40.3Very low70 Ų70156.2 Ų156.272%0.72280%0.797SS**  trans-173.8128.9170.500000112.9
236Y39.1Very low40.2Very low245 Ų245157.6 Ų157.696%0.96180%0.797SS**  trans-123.6127.2160.2-92.2-95.9000106.8
237G40.8Very low40Very low77 Ų77155.9 Ų155.979%0.79479%0.79SS**  trans-90.5164.9-165.800000115
238Y35.3Very low40.1Very low220 Ų220155.7 Ų155.786%0.86379%0.789SS**  trans-78.9155.5154.7-80.8-108.3000109.7
239Y40.1Very low40Very low217 Ų217156.3 Ų156.385%0.85179%0.792SS**  trans-140.6127.2139.8-104.5-81.8000108.7
240D35.5Very low39.7Very low123 Ų123157.2 Ų157.266%0.65880%0.796SS**  trans-126.2126.6163.8-174.7-62.9000103.5Y242D240-Y242 WeakPolarHBondContact OD1-CD2 3.4Å; D240-Y242 WeakPolarHBondContact OD1-CE2 3.12Å
241D40.8Very low39.4Very low136 Ų136153.3 Ų153.373%0.72779%0.791SS**  trans-147.3125.3-179.3-126.2-43.9000110.4
242Y39.1Very low39.2Very low199 Ų199148.8 Ų148.878%0.7879%0.791SS**  trans-91.1133.4-177.7-75.7-131.2000108.7D240D240-Y242 WeakPolarHBondContact OD1-CD2 3.4Å; D240-Y242 WeakPolarHBondContact OD1-CE2 3.12Å
243F40.3Very low39.1Very low212 Ų212147.3 Ų147.393%0.9380%0.797SS**  trans-145.8150.3145.7-138.4-96000115.4
244S39.9Very low39Very low105 Ų105149.4 Ų149.473%0.73480%0.8SS**  trans-84.2147-174.3178.10000112.8
245G38.8Very low39.1Very low67 Ų67142.8 Ų142.869%0.69179%0.794SS**  124.3149.7121.700000119.2
246S40.2Very low39.3Very low92 Ų92144.3 Ų144.364%0.64380%0.8SS**  trans63.1108.2164.9-1390000119.9
247Y36Very low39.5Very low204 Ų204137.9 Ų137.980%0.880%0.798SS**  trans-40.2148.9136.432.4-93.8000113.7
248D40Very low39.3Very low158 Ų158141 Ų14185%0.84580%0.796SS**  trans-157.8170.5132.2-131.7-39.6000111.5
249Y37.1Very low39.5Very low219 Ų219141.8 Ų141.886%0.85980%0.799SS**  trans-130.9153.4-165.5-135.5-94.8000113.9
250N36.3Very low39.5Very low156 Ų156134.9 Ų134.983%0.83479%0.794SS**  trans79.7169.9155.9-150.24.9000119.8
251A39Very low39.8Very low74 Ų74136.5 Ų136.561%0.61280%0.798SS**  trans80.686.9157.400000120.6
252S39.4Very low39.9Very low123 Ų123139.2 Ų139.286%0.8680%0.799SS**  34.312312660.90000121.2
253G41.6Very low40.4Very low85 Ų85135.4 Ų135.488%0.87680%0.799SS**  trans-166.8113.2164.400000113.9
254S42.6Very low40.3Very low118 Ų118130.4 Ų130.483%0.82580%0.797SS**  trans-90.1163.7-178.754.30000114.4
255A41.6Very low40.3Very low98 Ų98136 Ų13681%0.8180%0.803SS**  trans72.9126.7170.500000115.6
256A42.3Very low40.3Very low102 Ų102137.4 Ų137.484%0.84381%0.809SS**  cis96.3105.231.300000114.3
257A42Very low40.2Very low111 Ų111136 Ų13692%0.91781%0.809SS**  trans-151.1153.6158.200000108.9
258N37.6Very low40.3Very low142 Ų142134.4 Ų134.476%0.75981%0.811SS**  trans-133.6150.3-175.4175.318.2000108.3
259Y40.4Very low40.4Very low236 Ų236133 Ų13393%0.92580%0.804SS**  trans170.4143.4146.1-94.3-59.9000112.3
260G39.6Very low40.6Very low73 Ų73129.8 Ų129.875%0.75380%0.801SS**  trans124134162.900000114.9
261E40.9Very low40.8Very low157 Ų157132.6 Ų132.673%0.73480%0.8SS**  trans-153.4157.4-153.7-149.6175.5170.700114.9
262Y42.8Very low41.1Very low192 Ų192135.8 Ų135.875%0.75381%0.807SS**  trans65.5163.2164.4-74.3-60.2000120.5
263P49.7Very low40.9Very low120 Ų120140 Ų14078%0.77981%0.806SS**  cis-126.5179-20.328.5-7.4000114.1
264A39.7Very low40.8Very low107 Ų107138.8 Ų138.888%0.88479%0.793SS**  trans-94.8162.1-178.700000114.6
265Y38.8Very low40.6Very low221 Ų221138.5 Ų138.587%0.86780%0.797SS**  trans-113.1162.1162.680.2-92.1000110.8
266A39.4Very low40.4Very low98 Ų98139.2 Ų139.281%0.8180%0.803SS**  trans-120.9161-17200000113.7
267G38.6Very low40.2Very low63 Ų63138.2 Ų138.265%0.64980%0.803SS**  trans103.9143.6179.500000113.2
268M37.5Very low40.1Very low170 Ų170137.9 Ų137.984%0.83780%0.801SS**  cis-144.7137.12.8-68.6-179.875.300112.2
269D42.1Very low40.2Very low129 Ų129140.3 Ų140.369%0.6981%0.807SS**  trans49.3120.6144.1-54.3-55.7000122.9
270N41.4Very low40Very low150 Ų150135.4 Ų135.480%0.80280%0.802SS**  trans-95.4122.3172173.415000111N272N270-N272 PolarHBondContact O-N 3.11Å
271W39.6Very low40Very low215 Ų215135.6 Ų135.681%0.81480%0.804SS**  trans-87.484.4179.1-77.584.3000112.9Y273W271-Y273 HydrophobicContact CE3-CD2 4.23Å; W271-Y273 HydrophobicContact CE3-CE2 4.45Å; W271-Y273 HydrophobicContact CZ3-CD2 4.37Å; W271-Y273 HydrophobicContact CZ3-CE2 4.13Å
272N46.1Very low39.8Very low141 Ų141138 Ų13875%0.75482%0.815SS**  trans-97.4116.7164.3179.935.9000110.4N270N270-N272 PolarHBondContact O-N 3.11Å
273Y35.5Very low39.6Very low213 Ų213132.6 Ų132.684%0.83582%0.817SS**  trans-106.399.7-177.3-137.2-75.7000110.6W271W271-Y273 HydrophobicContact CE3-CD2 4.23Å; W271-Y273 HydrophobicContact CE3-CE2 4.45Å; W271-Y273 HydrophobicContact CZ3-CD2 4.37Å; W271-Y273 HydrophobicContact CZ3-CE2 4.13Å
274G38.9Very low39.6Very low59 Ų59133.9 Ų133.961%0.60882%0.823SS**  trans-170.3132.4-179.400000115.7
275A38.1Very low39.9Very low111 Ų111134.5 Ų134.592%0.91782%0.819SS**  trans65.4129.9169.400000118.3
276A36.6Very low40.2Very low113 Ų113130.8 Ų130.893%0.93482%0.819SS**  trans-82.3155.2179.100000113.3
277G39.2Very low40.3Very low82 Ų82130.2 Ų130.285%0.84581%0.813SS**  trans-159.1138.2167.100000109.7
278A39.4Very low40.5Very low104 Ų104133.9 Ų133.986%0.8682%0.824SS**  trans-113.2140.6-166.800000113.8
279Q39.9Very low40.9Very low192 Ų192129.3 Ų129.390%0.89782%0.82SS**  trans-162143.2172-95.6175.417.700106.7
280T35.8Very low41.1Very low134 Ų134129.2 Ų129.282%0.82282%0.824SS**  cis-138.8159.6-2.554.70000110
281G39Very low41.1Very low77 Ų77131.3 Ų131.379%0.79483%0.829SS**  trans-147.2145.5170.900000110.9
282Q37.6Very low41.3Very low208 Ų208124.1 Ų124.197%0.97282%0.822SS**  trans-87.2142.3-168.9-64.7162.3-28.800112.8
283G39.3Very low41.3Very low77 Ų77123.3 Ų123.379%0.79482%0.822SS**  trans176.7143.617300000112.3
284T48.4Very low41.8Very low147 Ų147121.4 Ų121.490%0.90282%0.821SS**  trans-105.6160.5-170.5410000114.4
285P46.6Very low42.3Very low121 Ų121124.2 Ų124.279%0.78683%0.826SS**  trans-113.4155.5-161.540.5-32.2000116.2
286V44.2Very low42.9Very low143 Ų143126.5 Ų126.587%0.86782%0.822SS**  trans-151.7139169-177.70000111.5
287A42.2Very low43.7Very low85 Ų85126.6 Ų126.670%0.70281%0.813SS**  trans61.3157.7159.800000120.8
288T43.9Very low44Very low141 Ų141128.7 Ų128.787%0.86581%0.814SS**  -173.9133.7-55.6250000109.7
289G44.1Very low44.2Very low73 Ų73127.4 Ų127.475%0.75381%0.811SS**  trans85.4163.9167.300000117.2
290T47Very low44.6Very low128 Ų128124.7 Ų124.779%0.78581%0.808SS**  cis-160.7127.6-10.2-75.30000111.5
291Q42Very low45Very low193 Ų193122.2 Ų122.290%0.90280%0.802SS**  trans36.5144151.3-59176.44.200124.6
292G43.5Very low45.3Very low65 Ų65124.4 Ų124.467%0.6780%0.803SS**  trans122.8100.3158.500000114.5
293T46.5Very low45.6Very low124 Ų124126.3 Ų126.376%0.76180%0.801SS**  cis83.61064072.60000116.8
294H46.5Very low45.7Very low172 Ų172126.6 Ų126.680%0.79680%0.804SS**  trans169.5127.4140.9-89.2-63.7000108.4
295V48.8Very low45.5Very low119 Ų119123 Ų12372%0.72180%0.796SS**  83.1128.357.9164.10000112.3
296L49.8Very low45.6Very low158 Ų158128.1 Ų128.183%0.82780%0.8SS**  cis-159.7177.2-11.2-100.6-179.1000109.5
297P53.4Low45.5Very low115 Ų115124.6 Ų124.675%0.74779%0.792SS**  trans-117.4-179.1-168.444.3-36.6000116.4
298S46.1Very low45.7Very low126 Ų126127.9 Ų127.988%0.88179%0.787SS**  trans-168147.3148.8600000112.9
299G44.2Very low46Very low77 Ų77131.1 Ų131.179%0.79479%0.785SS**  trans16870.2176.700000117.7
300T47.9Very low46.2Very low135 Ų135131 Ų13183%0.82878%0.784SS**  trans-43.6130.2171.9-24.50000112.8
301A43.7Very low46.2Very low83 Ų83132 Ų13269%0.68679%0.785SS**  51.7144.669.100000113.9
302C45.5Very low46.5Very low122 Ų122128.8 Ų128.882%0.82478%0.778SS**  cis-137-150.112.2-610000109.7
303R44.6Very low46.6Very low249 Ų249128.4 Ų128.494%0.9477%0.774SS**  cis-164.5128.11.3-160177-175.2170.31.8113.5
304G41.2Very low46.9Very low82 Ų82133.4 Ų133.485%0.84578%0.781SS**  trans90149.8148.700000120
305G42.7Very low47.2Very low72 Ų72128.4 Ų128.474%0.74278%0.776SS**  cis164.6161.9-13.700000117.2
306R49.4Very low47.1Very low229 Ų229134.7 Ų134.786%0.86479%0.788SS**  trans62.7143.1171-63.3177.4174162.7-2.4116.8
307G41.5Very low47.3Very low68 Ų68131 Ų13170%0.70179%0.788SS**  cis-166.2-164.3-2.700000108.8
308Y47.9Very low47.3Very low154 Ų154128.9 Ų128.960%0.60479%0.787SS**  cis-169.5140.20.9-112.5-58.3000110
309Y50.6Low47.7Very low210 Ų210136.2 Ų136.282%0.82481%0.808SS**  trans60.4155.7167.5-47.9-62000118.2
310G46.6Very low47.9Very low69 Ų69139.2 Ų139.271%0.71181%0.809SS**  cis-179.8117.6-1100000110.2
311N47.9Very low47.9Very low151 Ų151139.4 Ų139.481%0.80781%0.807SS**  80.6100.897.5-178.346.1000117.6
312T49Very low48.1Very low125 Ų125142.6 Ų142.677%0.76781%0.814SS**  trans175.6154.2131.426.40000110.3
313G45.7Very low48.2Very low57 Ų57143.8 Ų143.859%0.58881%0.814SS**  cis171.3-1.4-800000120.6
314Y51.9Low48.5Very low228 Ų228137.2 Ų137.289%0.89481%0.806SS**  trans-146.5158.5-173.8-53-76.6000112.5
315G53.1Low49Very low67 Ų67140.9 Ų140.969%0.69180%0.803SS**  cis161.682.6-9.300000116.6
316Y47.4Very low49.4Very low251 Ų251145.8 Ų145.898%0.98481%0.807SS**  trans61.1143.1158.7-90.9-91.1000122.7
317G52.1Low49.4Very low80 Ų80139.4 Ų139.483%0.82580%0.803SS**  trans113.6133.6163.200000114.7
318G53.6Low50.1Low71 Ų71145.3 Ų145.373%0.73281%0.812SS**  cis161.6126.2-9.100000113.1
319Q55Low50.3Low281 Ų281144.5 Ų144.5100%1.31383%0.831SS**  trans74.20-164.6-55.9-174.633.100114.1

Retrieved 319 of 319 residues in 245 ms (Link to these results)