A0A087Y6W6_POEFO Loading...

SH3 and cysteine rich domain

AlphaFold DB , UniProt , Accession A0A087Y6W6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 348 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
1M45.8Very low49Very low253 Ų253142.5 Ų142.5100%1.24683%0.829SS**  094.70-113.8146.671.200108.5
2A43.1Very low49.7Very low100 Ų100140.3 Ų140.383%0.82682%0.823SS**  trans-172.5131.3156.900000106.8
3P55.6Low50.7Low124 Ų124139.2 Ų139.281%0.80582%0.823SS**  trans-99.7171.6-166.135.2-24.7000113.9
4P55.3Low51.3Low113 Ų113138.9 Ų138.973%0.73482%0.822SS**  trans-93.6174.9-168.237.8-34.3000114.7
5H48.6Very low51.8Low191 Ų191137.1 Ų137.188%0.88482%0.816SS**  trans-60.9137.3-172.9-41.3-82.3000115.6
6T50.8Low52Low127 Ų127136.7 Ų136.778%0.77982%0.818SS**  trans-103.8153.4156.753.80000107.2
7T47.1Very low51.7Low121 Ų121134.4 Ų134.474%0.74282%0.817SS**  cis-169.7134.635.9-28.40000111.3
8S47.6Very low51.4Low89 Ų89136.3 Ų136.362%0.62282%0.82SS**  trans38.6119.6138.268.50000124.5
9L43.3Very low51.1Low168 Ų168135.5 Ų135.588%0.8882%0.818SS**  92.3161.481.7-75175.7000113.7
10P50.7Low50.9Low114 Ų114135.5 Ų135.574%0.7482%0.822SS**  cis-133.3165.3-8.933.8-13.7000116
11I51.7Low50.3Low167 Ų167133.5 Ų133.586%0.85682%0.821SS**  trans-131.4135.1165.7-60.3174.8000109.5
12P57.6Low50.4Low117 Ų117127 Ų12776%0.7680%0.798SS**PPolyproline II helixtrans-85.7168.8-17934.4-34.9000114.7
13P62.3Low50.9Low126 Ų126128.2 Ų128.282%0.81880%0.797SS**PPolyproline II helixtrans-99.8162.4-144.137.8-35.1000116.6
14V58.7Low50.1Low135 Ų135127.7 Ų127.782%0.81879%0.793SS**PPolyproline II helixtrans-91.6140.4176.5178.10000111
15P59.3Low49.2Very low111 Ų111128.8 Ų128.872%0.72180%0.798SS**PPolyproline II helixtrans-89.8157.2170.232.5-31.2000114.3
16P55.1Low48.9Very low131 Ų131125.2 Ų125.285%0.85180%0.795SS**PPolyproline II helixtrans-96172.4-164.538.6-35.3000115.8
17A46.2Very low48.2Very low97 Ų97130.9 Ų130.980%0.80280%0.802SS**PPolyproline II helixtrans-84.7157.9-174.300000115.7
18I46.6Very low47.9Very low169 Ų169130.1 Ų130.187%0.86780%0.801SS**  trans-140.4149.5164.6-67.5-173.8000109.9
19P46.5Very low47.5Very low121 Ų121134.9 Ų134.979%0.78681%0.814SS**  trans-110178.4-148.138.2-26.5000117.8
20C46.2Very low47.4Very low135 Ų135131.2 Ų131.291%0.91281%0.808SS**  trans-54.1157.1-171.7-61.40000120.4
21A39.2Very low46.7Very low95 Ų95137 Ų13779%0.78582%0.815SS**  trans-158.7170151.100000111.3
22P47.3Very low45.8Very low117 Ų117136 Ų13676%0.7681%0.811SS**  -113.6-177.5-11620.34.8000115.2
23P52.8Low44.8Very low124 Ų124136.3 Ų136.381%0.80581%0.813SS**  trans-91.6157.3-168.137-32.2000113.6
24P39.3Very low43.7Very low113 Ų113138.5 Ų138.573%0.73482%0.817SS**  trans-137.7124.8152.928.8-8.9000115.3
25T37.4Very low43Very low136 Ų136140.1 Ų140.183%0.83482%0.816SS**  32.4136.4127.8520000122.2
26S42Very low42.2Very low117 Ų117140.7 Ų140.782%0.81882%0.817SS**  trans-56128163.459.90000113.4
27R34.9Very low41.7Very low245 Ų245140.7 Ų140.793%0.92581%0.81SS**  trans-165.5144137.1-134.9172.2175-177.3-2.8112.3
28S41.5Very low42.1Very low105 Ų105141.7 Ų141.773%0.73481%0.811SS**  trans-64.9140.5-174.7-21.10000114.4
29Q39.1Very low42.9Very low189 Ų189135.8 Ų135.888%0.88379%0.787SS**  164.5125.8114-87.2179.313.100114.1
30A41.1Very low44.1Very low92 Ų92131.8 Ų131.876%0.7677%0.769SS**  trans29.8112.814200000121.6
31R36.1Very low45.7Very low236 Ų236126.7 Ų126.789%0.89173%0.731SS**  -169.3132109.8-134.9170.7-99.6-145.8-4.6113.3
32N32Very low47.9Very low144 Ų144126.3 Ų126.377%0.7772%0.722SS**  trans48.9101.7159.7-74.9-20.6000120.3L34N32-L34 PolarHBondContact O-N 3.48Å
33P38.2Very low49.8Very low124 Ų124122.1 Ų122.181%0.80569%0.692SS**  trans-75.4120.5158.8611.5000109.6Q35P33-Q35 PolarHBondContact O-N 3.06Å
34L38.2Very low51.3Low172 Ų172121.5 Ų121.590%0.90168%0.68SS**  trans-56.2123.1154.6-78.3161.3000107.8N32 V36N32-L34 PolarHBondContact O-N 3.48Å; L34-V36 PolarHBondContact O-N 3.27Å
35Q43.9Very low53.6Low169 Ų169121.7 Ų121.779%0.7967%0.67SS**  trans-67.996.7-170.6-169.7176.8-19.400110.3P33P33-Q35 PolarHBondContact O-N 3.06Å
36V43.4Very low55.8Low124 Ų124118.4 Ų118.475%0.75265%0.645SS**  trans-90.6108.8158.5176.40000106.3L34 S38L34-V36 PolarHBondContact O-N 3.27Å; V36-S38 VanDerWaalsContact C-N 3.33Å; V36-S38 PolarHBondContact O-N 2.78Å
37D43.7Very low57.9Low131 Ų131117.4 Ų117.470%0.70163%0.63SS**  trans-54.489.2178.5-91.3-47.9000111.8A39D37-A39 VanDerWaalsContact C-N 3.26Å; D37-A39 PolarHBondContact O-N 3.05Å
38S55.5Low60.1Low118 Ų118106.1 Ų106.183%0.82559%0.588SS**  trans-82.472.5171-730000110V36 G40V36-S38 VanDerWaalsContact C-N 3.33Å; V36-S38 PolarHBondContact O-N 2.78Å; S38-G40 VanDerWaalsContact C-N 3.32Å
39A62.9Low61.9Low44 Ų44111 Ų11136%0.36460%0.596SS.*  trans-95.727.4172.400000112.6D37 R102 C103D37-A39 VanDerWaalsContact C-N 3.26Å; D37-A39 PolarHBondContact O-N 3.05Å; A39-R102 HydrophobicContact CB-CG 4.43Å; A39-R102 CarbonylContact O-C 3.51Å; A39-R102 VanDerWaalsContact O-CA 3.29Å; A39-R102 WeakPolarHBondContact O-CA 3.4Å; A39-C103 PolarHBondContact O-N 3.06Å
40G71.9Confident63.7Low38 Ų38109.9 Ų109.939%0.39259%0.588SS.*BIsolated β-bridgetrans-87.5165.1177.600000113.5S38 C103S38-G40 VanDerWaalsContact C-N 3.32Å; G40-C103 WeakPolarHBondContact O-CB 3.16Å
41H80.1Confident65.6Low27 Ų27109.8 Ų109.813%0.12558%0.579CS.*  trans-74.9124.1174.3-72.3-92.3000111.7F43 C86 M88 Q101 C103H41-F43 HydrophobicContact CB-CD2 3.85Å; H41-F43 HydrophobicContact CB-CE1 4.32Å; H41-F43 HydrophobicContact CB-CE2 3.22Å; H41-F43 HydrophobicContact CB-CZ 3.48Å; H41-F43 VanDerWaalsContact CB-CZ 3.48Å; H41-F43 AromaticContact CG-CE2 3.95Å; H41-F43 AromaticContact CG-CZ 3.74Å; H41-F43 AromaticContact ND1-CZ 3.97Å; H41-F43 PolarHBondContact O-N 2.95Å; H41-C86 PolarHBondContact CE1-SG 3.13Å; H41-C86 PolarHBondContact ND1-SG 3.46Å; H41-M88 WeakPolarHBondContact CE1-CE 3.44Å; H41-Q101 PolarHBondContact CD2-O 3.26Å; H41-Q101 VanDerWaalsContact CD2-O 3.25Å; H41-C103 HydrophobicContact CB-CB 4.4Å; H41-C103 PolarHBondContact ND1-SG 2.89Å; H41-C103 VanDerWaalsContact ND1-SG 3.37Å
42C84.2Confident67.8Low88 Ų8899.8 Ų99.860%0.59555%0.545SS*.  trans-91.396.3168-55.80000109.9C83 K84C42-C83 WeakPolarHBondContact O-CA 3.44Å; C42-K84 PolarHBondContact O-N 3.25Å
43F86.9Confident70.3Confident29 Ų2998.8 Ų98.813%0.12753%0.534CS..EExtended strand (participates in β ladder)trans-82.7138.8175.3-65.5-74.4000111.2H41 L81 C83 M88 L90 E95 V98H41-F43 HydrophobicContact CB-CD2 3.85Å; H41-F43 HydrophobicContact CB-CE1 4.32Å; H41-F43 HydrophobicContact CB-CE2 3.22Å; H41-F43 HydrophobicContact CB-CZ 3.48Å; H41-F43 VanDerWaalsContact CB-CZ 3.48Å; H41-F43 AromaticContact CG-CE2 3.95Å; H41-F43 AromaticContact CG-CZ 3.74Å; H41-F43 AromaticContact ND1-CZ 3.97Å; H41-F43 PolarHBondContact O-N 2.95Å; F43-L81 HydrophobicContact CB-CB 4.2Å; F43-L81 HydrophobicContact CD1-CB 4.4Å; F43-C83 HydrophobicContact CD1-CB 3.76Å; F43-C83 HydrophobicContact CE1-CB 3.66Å; F43-C83 HydrophobicContact CZ-CB 4.47Å; F43-M88 HydrophobicContact CE1-CB 4.48Å; F43-M88 HydrophobicContact CE1-CE 3.99Å; F43-M88 HydrophobicContact CZ-CE 3.6Å; F43-L90 HydrophobicContact CD1-CD1 4.21Å; F43-L90 HydrophobicContact CE1-CD1 3.45Å; F43-L90 VanDerWaalsContact CE1-CD1 3.45Å; F43-L90 HydrophobicContact CE1-CG 4.03Å; F43-L90 HydrophobicContact CE2-CD1 4.07Å; F43-L90 HydrophobicContact CZ-CD1 3.39Å; F43-L90 HydrophobicContact CZ-CG 4.4Å; F43-E95 HydrophobicContact CD2-CG 4.41Å; F43-V98 HydrophobicContact CZ-CB 4.38Å; F43-V98 HydrophobicContact CZ-CG1 4.37Å
44M85Confident72.7Confident111 Ų11192.9 Ų92.955%0.54750%0.496SS..EExtended strand (participates in β ladder)trans-128.5149.4173.2-66.9179.670.300109.2H46 R82 K84M44-H46 PolarHBondContact O-N 2.89Å; M44-R82 PolarHBondContact N-O 3.02Å; M44-R82 PolarHBondContact O-N 3.22Å; M44-K84 HydrophobicContact SD-CB 4.47Å; M44-K84 HydrophobicContact SD-CD 4.1Å
45E87.4Confident74.9Confident116 Ų11687.5 Ų87.554%0.54247%0.468SS..EExtended strand (participates in β ladder)trans-62132.4175.8-162.7155.1-120.300111.2H79E45-H79 WeakPolarHBondContact CG-CE1 3.27Å; E45-H79 WeakPolarHBondContact CG-NE2 3.47Å; E45-H79 IonicContact OE1-CE1 3.04Å; E45-H79 PolarHBondContact OE1-CE1 3.25Å; E45-H79 IonicContact OE1-ND1 2.82Å; E45-H79 PolarHBondContact OE1-ND1 3.39Å; E45-H79 IonicContact OE1-NE2 2.66Å; E45-H79 IonicContact OE2-CE1 3.87Å; E45-H79 IonicContact OE2-NE2 3.27Å
46H84.5Confident76.9Confident67 Ų6782.7 Ų82.731%0.3145%0.45SS..EExtended strand (participates in β ladder)trans-146134.4-173.7-174.4-85.6000111.7M44 F48 G80 R82M44-H46 PolarHBondContact O-N 2.89Å; H46-F48 HydrophobicContact CB-CE2 4.43Å; H46-F48 HydrophobicContact CB-CZ 4.32Å; H46-F48 AromaticContact ND1-CD1 3.6Å; H46-F48 AromaticContact ND1-CE1 3.57Å; H46-F48 AromaticContact ND1-CG 3.9Å; H46-F48 AromaticContact ND1-CZ 3.82Å; H46-F48 WeakPolarHBondContact O-CD2 3.43Å; H46-F48 WeakPolarHBondContact O-CE2 3.34Å; H46-G80 PolarHBondContact N-O 2.83Å; H46-G80 PolarHBondContact O-N 2.85Å; H46-G80 VanDerWaalsContact O-O 3.1Å; H46-R82 HydrophobicContact CB-CB 3.71Å
47I85.3Confident78.8Confident96 Ų9678.9 Ų78.949%0.49243%0.428SS..EExtended strand (participates in β ladder)trans-93.3115.8177.1-58.9173.3000109.4K49 A77I47-K49 PolarHBondContact O-N 3.09Å; I47-A77 HydrophobicContact CG2-CB 4.1Å
48F81.4Confident80.7Confident8 Ų878.3 Ų78.34%0.03543%0.425CS..EExtended strand (participates in β ladder)trans-87.5104.9-178.1-60.4-87.2000111.2H46 K50 T52 I61 K78 R82 S89H46-F48 HydrophobicContact CB-CE2 4.43Å; H46-F48 HydrophobicContact CB-CZ 4.32Å; H46-F48 AromaticContact ND1-CD1 3.6Å; H46-F48 AromaticContact ND1-CE1 3.57Å; H46-F48 AromaticContact ND1-CG 3.9Å; H46-F48 AromaticContact ND1-CZ 3.82Å; H46-F48 WeakPolarHBondContact O-CD2 3.43Å; H46-F48 WeakPolarHBondContact O-CE2 3.34Å; F48-K50 PolarHBondContact O-N 3.41Å; F48-T52 HydrophobicContact CD1-CG2 3.73Å; F48-T52 WeakPolarHBondContact CD1-OG1 3.29Å; F48-T52 HydrophobicContact CE1-CG2 3.82Å; F48-T52 HydrophobicContact CG-CG2 4.43Å; F48-I61 HydrophobicContact CD2-CD1 4.45Å; F48-I61 HydrophobicContact CD2-CG2 4.12Å; F48-I61 HydrophobicContact CE2-CD1 3.98Å; F48-I61 HydrophobicContact CE2-CG2 4.24Å; F48-I61 HydrophobicContact CZ-CD1 4.12Å; F48-K78 HydrophobicContact CB-CB 4.14Å; F48-K78 WeakPolarHBondContact CD2-O 3.42Å; F48-K78 PolarHBondContact N-O 3.46Å; F48-R82 VanDerWaalsContact CE1-NH2 3.28Å; F48-R82 HydrophobicContact CZ-CB 4.17Å; F48-S89 WeakPolarHBondContact CE1-OG 3.34Å
49K78Confident81.9Confident209 Ų20979 Ų7991%0.90942%0.415SS*.SBendtrans-67.5-21.3175.1-62.1-174.5179-175.50113.7I47I47-K49 PolarHBondContact O-N 3.09Å
50K78.1Confident83Confident165 Ų16580.5 Ų80.572%0.71742%0.415SS*.SBendtrans-113.5149.7177.1-67.1-173.8177.4-173.60110.1F48 T52F48-K50 PolarHBondContact O-N 3.41Å; K50-T52 PolarHBondContact O-N 3.09Å; K50-T52 PolarHBondContact O-OG1 3.18Å
51P80.3Confident83.5Confident89 Ų8978.8 Ų78.858%0.57840%0.397SS*.  trans-49.5116168.2-22.532.3000110.2M60P51-M60 HydrophobicContact CB-SD 3.97Å
52T82.2Confident83.2Confident27 Ų2781 Ų8117%0.16641%0.412CS..  trans-126.6135.9-178.1-54.90000107.1F48 K50 I61F48-T52 HydrophobicContact CD1-CG2 3.73Å; F48-T52 WeakPolarHBondContact CD1-OG1 3.29Å; F48-T52 HydrophobicContact CE1-CG2 3.82Å; F48-T52 HydrophobicContact CG-CG2 4.43Å; K50-T52 PolarHBondContact O-N 3.09Å; K50-T52 PolarHBondContact O-OG1 3.18Å; T52-I61 HydrophobicContact CG2-CD1 4.27Å; T52-I61 WeakPolarHBondContact O-CB 3.47Å; T52-I61 PolarHBondContact O-N 3.04Å
53F85.4Confident82.3Confident122 Ų12278.1 Ų78.154%0.53540%0.398SS..BIsolated β-bridgetrans-96.2149.5178.4-63-92.3000109.9N58 M60F53-N58 WeakPolarHBondContact CD1-O 3.45Å; F53-M60 HydrophobicContact CD1-CB 4Å; F53-M60 HydrophobicContact CE1-CB 3.9Å
54C87.7Confident80.7Confident1 Ų180.9 Ų80.91%0.00742%0.417CS..  trans-73.3127.8174.31740000109.3V56 C57 N58 H59 I61 S89 H91C54-V56 PolarHBondContact O-N 3.5Å; C54-V56 VanDerWaalsContact O-N 3.14Å; C54-V56 PolarHBondContact SG-N 3.45Å; C54-C57 VanDerWaalsContact CB-SG 3.57Å; C54-C57 VanDerWaalsContact SG-SG 3.64Å; C54-N58 WeakPolarHBondContact O-CA 3.28Å; C54-N58 PolarHBondContact O-N 3.34Å; C54-H59 PolarHBondContact N-O 3.27Å; C54-I61 HydrophobicContact CB-CD1 4.47Å; C54-I61 HydrophobicContact CB-CG1 4.03Å; C54-S89 WeakPolarHBondContact CA-O 3.35Å; C54-H91 VanDerWaalsContact CB-CE1 3.44Å; C54-H91 WeakPolarHBondContact CB-CE1 3.44Å; C54-H91 WeakPolarHBondContact CB-ND1 3.27Å
55D85.9Confident79Confident59 Ų5980.6 Ų80.632%0.31642%0.422SS..THydrogen-bonded Turntrans-70.9-4-178.9-66.4-60.4000114.1M88 S89 L90 Y115D55-M88 HydrophobicContact CB-CG 3.57Å; D55-M88 HydrophobicContact CB-SD 4.09Å; D55-M88 WeakPolarHBondContact OD2-CA 3.44Å; D55-M88 WeakPolarHBondContact OD2-CG 3.41Å; D55-S89 PolarHBondContact N-O 3.37Å; D55-S89 PolarHBondContact OD2-N 3.42Å; D55-L90 HydrophobicContact CB-CD2 4.13Å; D55-Y115 HydrophobicContact CB-CE2 4.21Å
56V84.4Confident77.2Confident68 Ų6879.5 Ų79.541%0.41243%0.432SS..THydrogen-bonded Turntrans-101.9-54.6177.91700000111.9C54 L90 C94 V98C54-V56 PolarHBondContact O-N 3.5Å; C54-V56 VanDerWaalsContact O-N 3.14Å; C54-V56 PolarHBondContact SG-N 3.45Å; V56-L90 HydrophobicContact CB-CD2 4.06Å; V56-L90 HydrophobicContact CG2-CD1 4.47Å; V56-L90 HydrophobicContact CG2-CD2 3.36Å; V56-C94 HydrophobicContact CB-CB 4.22Å; V56-C94 HydrophobicContact CG1-CB 4.38Å; V56-V98 HydrophobicContact CB-CG2 4.5Å; V56-V98 HydrophobicContact CG2-CG2 3.06Å
57C83.4Confident75.5Confident44 Ų4485.3 Ų85.330%0.29746%0.457SS..THydrogen-bonded Turntrans-99.8-1.5-175.368.40000112.8C54 H59 H91C54-C57 VanDerWaalsContact CB-SG 3.57Å; C54-C57 VanDerWaalsContact SG-SG 3.64Å; C57-H59 PolarHBondContact O-N 2.74Å; C57-H59 PolarHBondContact O-ND1 3.14Å; C57-H91 PolarHBondContact SG-CE1 2.94Å; C57-H91 PolarHBondContact SG-ND1 2.99Å
58N84.5Confident73.6Confident119 Ų11989.7 Ų89.764%0.63648%0.475SS*.  trans5610.6-176.8-67.46.7000115.7F53 C54F53-N58 WeakPolarHBondContact CD1-O 3.45Å; C54-N58 WeakPolarHBondContact O-CA 3.28Å; C54-N58 PolarHBondContact O-N 3.34Å
59H80.7Confident71.8Confident133 Ų13395 Ų9562%0.61651%0.508SS*.  trans-88150.4175.4-71.278.9000111.1C54 C57 I61 H91C54-H59 PolarHBondContact N-O 3.27Å; C57-H59 PolarHBondContact O-N 2.74Å; C57-H59 PolarHBondContact O-ND1 3.14Å; H59-I61 PolarHBondContact O-N 3.1Å; H59-H91 PolarHBondContact O-CE1 3.38Å
60M84.7Confident70.5Confident75 Ų7590.2 Ų90.237%0.36950%0.496SS..BIsolated β-bridgetrans-59.3133.3178.4-174.7166.651.800110.5P51 F53 V62 H91P51-M60 HydrophobicContact CB-SD 3.97Å; F53-M60 HydrophobicContact CD1-CB 4Å; F53-M60 HydrophobicContact CE1-CB 3.9Å; M60-V62 VanDerWaalsContact C-N 3.31Å; M60-V62 HydrophobicContact CB-CG1 4.3Å; M60-V62 HydrophobicContact CE-CG1 3.68Å; M60-V62 HydrophobicContact CG-CG1 3.99Å; M60-V62 PolarHBondContact O-N 3.36Å; M60-V62 HydrophobicContact SD-CG1 4.43Å; M60-H91 PolarHBondContact O-NE2 3.3Å
61I83.9Confident68.8Low1 Ų191.5 Ų91.51%0.00550%0.501CS..  trans-71.695169.7-56.2174.1000106.7F48 T52 C54 H59 K78 H91F48-I61 HydrophobicContact CD2-CD1 4.45Å; F48-I61 HydrophobicContact CD2-CG2 4.12Å; F48-I61 HydrophobicContact CE2-CD1 3.98Å; F48-I61 HydrophobicContact CE2-CG2 4.24Å; F48-I61 HydrophobicContact CZ-CD1 4.12Å; T52-I61 HydrophobicContact CG2-CD1 4.27Å; T52-I61 WeakPolarHBondContact O-CB 3.47Å; T52-I61 PolarHBondContact O-N 3.04Å; C54-I61 HydrophobicContact CB-CD1 4.47Å; C54-I61 HydrophobicContact CB-CG1 4.03Å; H59-I61 PolarHBondContact O-N 3.1Å; I61-K78 WeakPolarHBondContact O-CB 3.26Å; I61-K78 WeakPolarHBondContact O-CD 3.22Å; I61-K78 WeakPolarHBondContact O-CG 3.25Å; I61-H91 WeakPolarHBondContact CA-NE2 3.39Å
62V73.4Confident67Low73 Ų7395.2 Ų95.244%0.44252%0.516SS..  trans-102.3139169-65.20000106.8M60 T64M60-V62 VanDerWaalsContact C-N 3.31Å; M60-V62 HydrophobicContact CB-CG1 4.3Å; M60-V62 HydrophobicContact CE-CG1 3.68Å; M60-V62 HydrophobicContact CG-CG1 3.99Å; M60-V62 PolarHBondContact O-N 3.36Å; M60-V62 HydrophobicContact SD-CG1 4.43Å; V62-T64 PolarHBondContact O-N 3.26Å
63G65.2Low65.2Low28 Ų2898.5 Ų98.529%0.28955%0.546SS..  trans-57.1117.3-178.700000109.8T65G63-T65 VanDerWaalsContact C-N 3.31Å; G63-T65 PolarHBondContact O-N 3.29Å; G63-T65 VanDerWaalsContact O-N 3.13Å
64T53.3Low63.3Low88 Ų8896.7 Ų96.754%0.5456%0.562SS.*  trans-82.379.7172.350.60000108.3V62 A66V62-T64 PolarHBondContact O-N 3.26Å; T64-A66 PolarHBondContact O-N 3.16Å
65T49.9Very low61.6Low104 Ų104104 Ų10464%0.63860%0.6SS**  trans-86.399.815650.90000106.5G63 K67G63-T65 VanDerWaalsContact C-N 3.31Å; G63-T65 PolarHBondContact O-N 3.29Å; G63-T65 VanDerWaalsContact O-N 3.13Å; T65-K67 PolarHBondContact O-N 2.95Å; T65-K67 VanDerWaalsContact O-N 3.12Å
66A49.8Very low60Low93 Ų93106.7 Ų106.777%0.76962%0.619SS**  trans-59.2117.2167.400000108T64T64-A66 PolarHBondContact O-N 3.16Å
67K48.3Very low58.7Low190 Ų190106 Ų10683%0.82662%0.621SS**SBendtrans64.5123.1162.3-65179.2178179.70116T65T65-K67 PolarHBondContact O-N 2.95Å; T65-K67 VanDerWaalsContact O-N 3.12Å
68H44.3Very low58Low188 Ų188105.8 Ų105.887%0.8762%0.615SS**SBendtrans88.314.2157.4-84.3-99.4000122.6
69V45.2Very low57.6Low119 Ų119103.8 Ų103.872%0.72160%0.602SS**  trans-145.665.2167.7-1450000113
70V49.2Very low57.9Low109 Ų10997.5 Ų97.566%0.66157%0.573SS**  trans-115113.1151.8-177.60000104.2
71F42.8Very low58Low191 Ų19194.4 Ų94.484%0.83856%0.558SS**SBendtrans166.89.6140.2-97.6-73.9000114.3
72L43.8Very low58.2Low167 Ų16798 Ų9887%0.87457%0.571SS**SBendtrans-133.9121169.7-66.4168.2000109.6
73A42.4Very low58.9Low97 Ų9794.6 Ų94.680%0.80255%0.551SS**SBendtrans74.477.2177.500000117.2N75A73-N75 PolarHBondContact O-N 3.28Å
74G47.5Very low59.9Low84 Ų84100.9 Ų100.987%0.86657%0.57SS**SBend46.3-3.8120.900000123.9
75N50Low61.3Low153 Ų15398.5 Ų98.582%0.81856%0.559SS**  trans-131.281.6-178.2-88.7-6.2000109.8A73 A77A73-N75 PolarHBondContact O-N 3.28Å; N75-A77 PolarHBondContact O-N 2.85Å
76T54.1Low62.9Low116 Ų11695.2 Ų95.271%0.71254%0.54SS*.  trans-72.376164.449.90000108.7K78T76-K78 PolarHBondContact O-N 3.02Å
77A55.9Low64.7Low55 Ų5597.5 Ų97.546%0.45553%0.533SS..  trans-57.3108.417400000108.5I47 N75 H79I47-A77 HydrophobicContact CG2-CB 4.1Å; N75-A77 PolarHBondContact O-N 2.85Å; A77-H79 VanDerWaalsContact C-N 3.33Å; A77-H79 PolarHBondContact O-N 3.33Å
78K69.1Low66.5Low39 Ų3988.9 Ų88.917%0.1750%0.496CS..EExtended strand (participates in β ladder)trans-69.991.7-179.6-63.6179.1-176.4-168.70107.9F48 I61 T76F48-K78 HydrophobicContact CB-CB 4.14Å; F48-K78 WeakPolarHBondContact CD2-O 3.42Å; F48-K78 PolarHBondContact N-O 3.46Å; I61-K78 WeakPolarHBondContact O-CB 3.26Å; I61-K78 WeakPolarHBondContact O-CD 3.22Å; I61-K78 WeakPolarHBondContact O-CG 3.25Å; T76-K78 PolarHBondContact O-N 3.02Å
79H76.6Confident68.6Low76 Ų7680.2 Ų80.235%0.35246%0.456SS..EExtended strand (participates in β ladder)trans-86.4128.1-177.4-149.8-123.7000109.9E45 A77E45-H79 WeakPolarHBondContact CG-CE1 3.27Å; E45-H79 WeakPolarHBondContact CG-NE2 3.47Å; E45-H79 IonicContact OE1-CE1 3.04Å; E45-H79 PolarHBondContact OE1-CE1 3.25Å; E45-H79 IonicContact OE1-ND1 2.82Å; E45-H79 PolarHBondContact OE1-ND1 3.39Å; E45-H79 IonicContact OE1-NE2 2.66Å; E45-H79 IonicContact OE2-CE1 3.87Å; E45-H79 IonicContact OE2-NE2 3.27Å; A77-H79 VanDerWaalsContact C-N 3.33Å; A77-H79 PolarHBondContact O-N 3.33Å
80G85.6Confident70.7Confident2 Ų274.5 Ų74.52%0.02142%0.422CS..EExtended strand (participates in β ladder)trans-164-173175.700000111.3H46H46-G80 PolarHBondContact N-O 2.83Å; H46-G80 PolarHBondContact O-N 2.85Å; H46-G80 VanDerWaalsContact O-O 3.1Å
81L87.6Confident72.5Confident9 Ų969.8 Ų69.85%0.04739%0.392CS..EExtended strand (participates in β ladder)trans-102.8141.2-176.1-65.6173000110.2F43 S89 L90 E95F43-L81 HydrophobicContact CB-CB 4.2Å; F43-L81 HydrophobicContact CD1-CB 4.4Å; L81-S89 CarbonylContact O-C 3.57Å; L81-S89 VanDerWaalsContact O-CA 3.27Å; L81-S89 WeakPolarHBondContact O-CA 3.39Å; L81-L90 HydrophobicContact CB-CB 4.48Å; L81-L90 PolarHBondContact N-O 3.11Å; L81-L90 PolarHBondContact O-N 3.08Å; L81-E95 HydrophobicContact CD1-CB 3.67Å; L81-E95 VanDerWaalsContact CD1-CD 3.47Å; L81-E95 HydrophobicContact CD1-CG 3.79Å; L81-E95 WeakPolarHBondContact CD1-OE2 3.44Å
82R87.9Confident74.5Confident77 Ų7765.5 Ų65.529%0.29138%0.375SS..EExtended strand (participates in β ladder)trans-132.3128.7172.9-179.3171.2-84.7-173.6-6.3111M44 H46 F48 K84 M88 S89M44-R82 PolarHBondContact N-O 3.02Å; M44-R82 PolarHBondContact O-N 3.22Å; H46-R82 HydrophobicContact CB-CB 3.71Å; F48-R82 VanDerWaalsContact CE1-NH2 3.28Å; F48-R82 HydrophobicContact CZ-CB 4.17Å; R82-K84 PolarHBondContact O-N 3.47Å; R82-M88 CarbonylContact C-O 3.56Å; R82-M88 VanDerWaalsContact CA-O 3.25Å; R82-M88 WeakPolarHBondContact CA-O 3.38Å; R82-S89 PolarHBondContact NE-OG 3.03Å; R82-S89 PolarHBondContact NH2-OG 2.66Å
83C88.3Confident76.4Confident2 Ų265.2 Ų65.21%0.01437%0.366CS..EExtended strand (participates in β ladder)trans-70.5129.2176.5-175.30000111C42 F43 A85 C86 K87 M88 C103C42-C83 WeakPolarHBondContact O-CA 3.44Å; F43-C83 HydrophobicContact CD1-CB 3.76Å; F43-C83 HydrophobicContact CE1-CB 3.66Å; F43-C83 HydrophobicContact CZ-CB 4.47Å; C83-A85 PolarHBondContact O-N 2.8Å; C83-C86 WeakPolarHBondContact CB-SG 3.14Å; C83-K87 VanDerWaalsContact O-CA 3.22Å; C83-K87 WeakPolarHBondContact O-CA 3.33Å; C83-K87 PolarHBondContact O-N 3.38Å; C83-M88 HydrophobicContact CB-CB 4.35Å; C83-M88 PolarHBondContact N-O 3.37Å; C83-C103 VanDerWaalsContact SG-SG 3.69Å
84K86.3Confident78.4Confident160 Ų16061.4 Ų61.470%0.69633%0.333SS*.THydrogen-bonded Turntrans-64.2-30.4178.9-170.5176.4-178.9178.20112.8C42 M44 R82C42-K84 PolarHBondContact O-N 3.25Å; M44-K84 HydrophobicContact SD-CB 4.47Å; M44-K84 HydrophobicContact SD-CD 4.1Å; R82-K84 PolarHBondContact O-N 3.47Å
85A83.5Confident79.9Confident37 Ų3760.3 Ų60.331%0.30631%0.306SS..THydrogen-bonded Turntrans-89.4-60.2-175.600000112.2C83 G105 K106C83-A85 PolarHBondContact O-N 2.8Å; A85-G105 CarbonylContact O-C 3.58Å; A85-K106 VanDerWaalsContact O-CG 3.27Å; A85-K106 WeakPolarHBondContact O-CG 3.25Å; A85-K106 PolarHBondContact O-N 2.91Å
86C83.2Confident81.1Confident35 Ų3560.1 Ų60.124%0.23631%0.305CS..THydrogen-bonded Turntrans-93.4-4.5-175.468.30000115.6H41 C83 M88 G105H41-C86 PolarHBondContact CE1-SG 3.13Å; H41-C86 PolarHBondContact ND1-SG 3.46Å; C83-C86 WeakPolarHBondContact CB-SG 3.14Å; C86-M88 PolarHBondContact O-N 3.12Å; C86-M88 VanDerWaalsContact O-N 3.14Å; C86-M88 WeakPolarHBondContact SG-CB 3.21Å; C86-G105 VanDerWaalsContact CA-O 3.26Å; C86-G105 WeakPolarHBondContact CA-O 3.04Å; C86-G105 WeakPolarHBondContact CB-O 3.08Å
87K87.2Confident81.7Confident141 Ų14157.2 Ų57.261%0.61330%0.298SS*.  trans61.811.2-176.8-54.6-175176.6-177.20115.9C83 S89C83-K87 VanDerWaalsContact O-CA 3.22Å; C83-K87 WeakPolarHBondContact O-CA 3.33Å; C83-K87 PolarHBondContact O-N 3.38Å; K87-S89 PolarHBondContact O-OG 3.04Å
88M86.6Confident82.3Confident10 Ų1054.8 Ų54.85%0.04928%0.277CS..  trans-57.7136.9172.5-169159.165.400110.5H41 F43 D55 R82 C83 C86 L90 V98 Y115H41-M88 WeakPolarHBondContact CE1-CE 3.44Å; F43-M88 HydrophobicContact CE1-CB 4.48Å; F43-M88 HydrophobicContact CE1-CE 3.99Å; F43-M88 HydrophobicContact CZ-CE 3.6Å; D55-M88 HydrophobicContact CB-CG 3.57Å; D55-M88 HydrophobicContact CB-SD 4.09Å; D55-M88 WeakPolarHBondContact OD2-CA 3.44Å; D55-M88 WeakPolarHBondContact OD2-CG 3.41Å; R82-M88 CarbonylContact C-O 3.56Å; R82-M88 VanDerWaalsContact CA-O 3.25Å; R82-M88 WeakPolarHBondContact CA-O 3.38Å; C83-M88 HydrophobicContact CB-CB 4.35Å; C83-M88 PolarHBondContact N-O 3.37Å; C86-M88 PolarHBondContact O-N 3.12Å; C86-M88 VanDerWaalsContact O-N 3.14Å; C86-M88 WeakPolarHBondContact SG-CB 3.21Å; M88-L90 HydrophobicContact CE-CD1 4.45Å; M88-L90 HydrophobicContact CG-CD2 4.22Å; M88-L90 HydrophobicContact CG-CG 4.42Å; M88-V98 HydrophobicContact CE-CB 4.29Å; M88-V98 HydrophobicContact CE-CG1 3.31Å; M88-V98 HydrophobicContact SD-CG1 4.47Å; M88-Y115 HydrophobicContact SD-CE2 4.5Å; M88-Y115 PolarHBondContact SD-OH 3.42Å
89S88.4Confident81.9Confident5 Ų555 Ų554%0.03529%0.291CS..EExtended strand (participates in β ladder)trans-118.7125-172.8-55.20000109.7F48 C54 D55 L81 R82 K87F48-S89 WeakPolarHBondContact CE1-OG 3.34Å; C54-S89 WeakPolarHBondContact CA-O 3.35Å; D55-S89 PolarHBondContact N-O 3.37Å; D55-S89 PolarHBondContact OD2-N 3.42Å; L81-S89 CarbonylContact O-C 3.57Å; L81-S89 VanDerWaalsContact O-CA 3.27Å; L81-S89 WeakPolarHBondContact O-CA 3.39Å; R82-S89 PolarHBondContact NE-OG 3.03Å; R82-S89 PolarHBondContact NH2-OG 2.66Å; K87-S89 PolarHBondContact O-OG 3.04Å
90L88.4Confident81.3Confident0 Ų060.7 Ų60.70%032%0.318CS..EExtended strand (participates in β ladder)trans-132.5157.4-172.6-58.1179000111.8F43 D55 V56 L81 M88 C94 V98F43-L90 HydrophobicContact CD1-CD1 4.21Å; F43-L90 HydrophobicContact CE1-CD1 3.45Å; F43-L90 VanDerWaalsContact CE1-CD1 3.45Å; F43-L90 HydrophobicContact CE1-CG 4.03Å; F43-L90 HydrophobicContact CE2-CD1 4.07Å; F43-L90 HydrophobicContact CZ-CD1 3.39Å; F43-L90 HydrophobicContact CZ-CG 4.4Å; D55-L90 HydrophobicContact CB-CD2 4.13Å; V56-L90 HydrophobicContact CB-CD2 4.06Å; V56-L90 HydrophobicContact CG2-CD1 4.47Å; V56-L90 HydrophobicContact CG2-CD2 3.36Å; L81-L90 HydrophobicContact CB-CB 4.48Å; L81-L90 PolarHBondContact N-O 3.11Å; L81-L90 PolarHBondContact O-N 3.08Å; M88-L90 HydrophobicContact CE-CD1 4.45Å; M88-L90 HydrophobicContact CG-CD2 4.22Å; M88-L90 HydrophobicContact CG-CG 4.42Å; L90-C94 HydrophobicContact CB-CB 4.4Å; L90-V98 HydrophobicContact CD1-CB 4.11Å; L90-V98 HydrophobicContact CD1-CG2 3.79Å; L90-V98 HydrophobicContact CD2-CG2 4.4Å
91H87.9Confident80.5Confident9 Ų965.9 Ų65.94%0.04234%0.341CS..  trans-70.7156.4160.7-57.3112.8000110.2C54 C57 H59 M60 I61 K93 C94 E95C54-H91 VanDerWaalsContact CB-CE1 3.44Å; C54-H91 WeakPolarHBondContact CB-CE1 3.44Å; C54-H91 WeakPolarHBondContact CB-ND1 3.27Å; C57-H91 PolarHBondContact SG-CE1 2.94Å; C57-H91 PolarHBondContact SG-ND1 2.99Å; H59-H91 PolarHBondContact O-CE1 3.38Å; M60-H91 PolarHBondContact O-NE2 3.3Å; I61-H91 WeakPolarHBondContact CA-NE2 3.39Å; H91-K93 HydrophobicContact CB-CG 3.74Å; H91-K93 PolarHBondContact O-N 3.49Å; H91-C94 HydrophobicContact CB-CB 4.24Å; H91-C94 PolarHBondContact O-N 2.94Å; H91-E95 PolarHBondContact O-N 2.89Å
92H85.2Confident80Confident102 Ų10274.6 Ų74.647%0.47237%0.374SS..G310 helixtrans-59.3-34.8173.8-153.2-48.4000112.5C94 E95H92-C94 VanDerWaalsContact C-N 3.28Å; H92-C94 PolarHBondContact O-N 3.14Å; H92-E95 IonicContact CE1-OE2 2.74Å
93K82.5Confident79.6Confident161 Ų16172.1 Ų72.170%0.737%0.368SS*.G310 helixtrans-71.2-17.617461177.3177179.30114.5H91H91-K93 HydrophobicContact CB-CG 3.74Å; H91-K93 PolarHBondContact O-N 3.49Å
94C84.1Confident78.9Confident16 Ų1676.7 Ų76.711%0.10839%0.39CS..G310 helixtrans-97.3-0.1-176.9-63.50000112.7V56 L90 H91 H92 G97V56-C94 HydrophobicContact CB-CB 4.22Å; V56-C94 HydrophobicContact CG1-CB 4.38Å; L90-C94 HydrophobicContact CB-CB 4.4Å; H91-C94 HydrophobicContact CB-CB 4.24Å; H91-C94 PolarHBondContact O-N 2.94Å; H92-C94 VanDerWaalsContact C-N 3.28Å; H92-C94 PolarHBondContact O-N 3.14Å; C94-G97 PolarHBondContact O-N 2.72Å
95E80.1Confident78.5Confident61 Ų6170.1 Ų70.129%0.28537%0.368SS..G310 helixtrans-60.6-45.5-178.9-172.5171.6-15900112.4F43 L81 H91 H92 G97 V98 G99F43-E95 HydrophobicContact CD2-CG 4.41Å; L81-E95 HydrophobicContact CD1-CB 3.67Å; L81-E95 VanDerWaalsContact CD1-CD 3.47Å; L81-E95 HydrophobicContact CD1-CG 3.79Å; L81-E95 WeakPolarHBondContact CD1-OE2 3.44Å; H91-E95 PolarHBondContact O-N 2.89Å; H92-E95 IonicContact CE1-OE2 2.74Å; E95-G97 PolarHBondContact O-N 3.14Å; E95-V98 PolarHBondContact O-N 3.48Å; E95-V98 VanDerWaalsContact O-N 3.09Å; E95-G99 PolarHBondContact O-N 3.48Å; E95-G99 VanDerWaalsContact O-N 3.09Å
96N73.8Confident77.7Confident150 Ų15076.6 Ų76.680%0.80239%0.389SS*.G310 helixtrans-65.7-21.1-177.7-70.7-1.8000113.4V98N96-V98 VanDerWaalsContact C-N 3.25Å; N96-V98 PolarHBondContact O-N 2.97Å
97G67.8Low76.6Confident54 Ų5477.8 Ų77.856%0.55739%0.393SS*.G310 helixtrans-73.6-14.6176.100000113.9C94 E95C94-G97 PolarHBondContact O-N 2.72Å; E95-G97 PolarHBondContact O-N 3.14Å
98V68.1Low75.2Confident4 Ų475.5 Ų75.52%0.02439%0.392CS..THydrogen-bonded Turntrans-129.9-13.4-171.6-160.30000114.1F43 V56 M88 L90 E95 N96 Q100 Q101F43-V98 HydrophobicContact CZ-CB 4.38Å; F43-V98 HydrophobicContact CZ-CG1 4.37Å; V56-V98 HydrophobicContact CB-CG2 4.5Å; V56-V98 HydrophobicContact CG2-CG2 3.06Å; M88-V98 HydrophobicContact CE-CB 4.29Å; M88-V98 HydrophobicContact CE-CG1 3.31Å; M88-V98 HydrophobicContact SD-CG1 4.47Å; L90-V98 HydrophobicContact CD1-CB 4.11Å; L90-V98 HydrophobicContact CD1-CG2 3.79Å; L90-V98 HydrophobicContact CD2-CG2 4.4Å; E95-V98 PolarHBondContact O-N 3.48Å; E95-V98 VanDerWaalsContact O-N 3.09Å; N96-V98 VanDerWaalsContact C-N 3.25Å; N96-V98 PolarHBondContact O-N 2.97Å; V98-Q100 PolarHBondContact O-N 2.83Å; V98-Q101 HydrophobicContact CG1-CB 4.15Å; V98-Q101 HydrophobicContact CG1-CG 4.36Å; V98-Q101 PolarHBondContact O-N 3.44Å
99G61.3Low73.5Confident45 Ų4585.6 Ų85.646%0.46444%0.436SS..THydrogen-bonded Turntrans-55.6-24.3-179.600000114.6E95E95-G99 PolarHBondContact O-N 3.48Å; E95-G99 VanDerWaalsContact O-N 3.09Å
100Q62.9Low71.7Confident194 Ų19488.9 Ų88.991%0.90747%0.471SS*.THydrogen-bonded Turntrans-89.9-10.4178.1-64.3179.7-4.400114.2V98V98-Q100 PolarHBondContact O-N 2.83Å
101Q70.1Confident70Confident111 Ų11196.3 Ų96.352%0.51950%0.503SS..SBendtrans-82.4148.9180-62.4-166.7-1.400111.6H41 V98H41-Q101 PolarHBondContact CD2-O 3.26Å; H41-Q101 VanDerWaalsContact CD2-O 3.25Å; V98-Q101 HydrophobicContact CG1-CB 4.15Å; V98-Q101 HydrophobicContact CG1-CG 4.36Å; V98-Q101 PolarHBondContact O-N 3.44Å
102R75.8Confident68.3Low193 Ų193107.1 Ų107.173%0.72854%0.544SS*.BIsolated β-bridgetrans-71.7129.6177.5-78.9-177.5168.7158.1-3.9111.3A39 M104A39-R102 HydrophobicContact CB-CG 4.43Å; A39-R102 CarbonylContact O-C 3.51Å; A39-R102 VanDerWaalsContact O-CA 3.29Å; A39-R102 WeakPolarHBondContact O-CA 3.4Å; R102-M104 HydrophobicContact CB-CE 3.68Å; R102-M104 WeakPolarHBondContact O-CE 3.33Å; R102-M104 PolarHBondContact O-N 3.29Å
103C80.4Confident66.8Low24 Ų24108 Ų10816%0.16254%0.543CS..PPolyproline II helixtrans-77119.1177.7-169.30000111.6A39 G40 H41 C83 G105A39-C103 PolarHBondContact O-N 3.06Å; G40-C103 WeakPolarHBondContact O-CB 3.16Å; H41-C103 HydrophobicContact CB-CB 4.4Å; H41-C103 PolarHBondContact ND1-SG 2.89Å; H41-C103 VanDerWaalsContact ND1-SG 3.37Å; C83-C103 VanDerWaalsContact SG-SG 3.69Å; C103-G105 PolarHBondContact O-N 2.94Å
104M73.2Confident64.8Low98 Ų98109.7 Ų109.748%0.48355%0.546SS..  trans-81.48-178.1-62.2-70.6108.700114.7R102 L107R102-M104 HydrophobicContact CB-CE 3.68Å; R102-M104 WeakPolarHBondContact O-CE 3.33Å; R102-M104 PolarHBondContact O-N 3.29Å; M104-L107 HydrophobicContact CB-CD1 4.44Å
105G77.5Confident63Low23 Ų23115.5 Ų115.524%0.23757%0.567CS.*  trans63.1-165176.800000115.1A85 C86 C103 L107A85-G105 CarbonylContact O-C 3.58Å; C86-G105 VanDerWaalsContact CA-O 3.26Å; C86-G105 WeakPolarHBondContact CA-O 3.04Å; C86-G105 WeakPolarHBondContact CB-O 3.08Å; C103-G105 PolarHBondContact O-N 2.94Å; G105-L107 PolarHBondContact O-N 2.97Å; G105-L107 VanDerWaalsContact O-N 3.16Å
106K68.4Low61Low172 Ų172117.2 Ų117.275%0.74859%0.586SS**SBendtrans-72.9105.2178.1-68.8179.8-176.5171.70109A85A85-K106 VanDerWaalsContact O-CG 3.27Å; A85-K106 WeakPolarHBondContact O-CG 3.25Å; A85-K106 PolarHBondContact O-N 2.91Å
107L59.5Low59.2Low60 Ų60114.7 Ų114.731%0.31458%0.58SS.*  trans-62.3139.5170.9-117.970.2000110.6M104 G105 K109 F111 R113M104-L107 HydrophobicContact CB-CD1 4.44Å; G105-L107 PolarHBondContact O-N 2.97Å; G105-L107 VanDerWaalsContact O-N 3.16Å; L107-K109 PolarHBondContact O-N 3.38Å; L107-F111 HydrophobicContact CD2-CB 3.62Å; L107-F111 WeakPolarHBondContact CD2-O 3.43Å; L107-F111 HydrophobicContact CG-CB 4.2Å; L107-R113 HydrophobicContact CD2-CG 3.59Å
108P57.9Low57.9Low93 Ų93117.9 Ų117.960%0.60459%0.591SS**  trans-51.9138.7173.3-25.634000111.2G110 F111P108-G110 PolarHBondContact O-N 2.87Å; P108-F111 PolarHBondContact O-N 2.81Å
109K49.7Very low56.6Low223 Ų223123.9 Ų123.997%0.9762%0.622SS**THydrogen-bonded Turntrans-61.293.4-179.5-69.5178-178.8174.60109.5L107L107-K109 PolarHBondContact O-N 3.38Å
110G52Low55.6Low74 Ų74129.8 Ų129.876%0.76364%0.642SS**THydrogen-bonded Turntrans156.4-30.3-17500000111.6P108P108-G110 PolarHBondContact O-N 2.87Å
111F52.5Low54.3Low156 Ų156127.4 Ų127.468%0.68464%0.635SS**  trans-100.584.7171-67.8-97.4000108.4L107 P108L107-F111 HydrophobicContact CD2-CB 3.62Å; L107-F111 WeakPolarHBondContact CD2-O 3.43Å; L107-F111 HydrophobicContact CG-CB 4.2Å; P108-F111 PolarHBondContact O-N 2.81Å
112R52.5Low53Low236 Ų236130.1 Ų130.189%0.89165%0.648SS**  trans-82.3111.6158.7-115.3-177.7-171.1-106.25.3105.5Y114R112-Y114 PolarHBondContact O-N 3.38Å
113R52.1Low51.3Low119 Ų119129.5 Ų129.545%0.44965%0.654SS.*  trans-61.2107.4172-71.3179.8-175.9-148.90.5108.1L107L107-R113 HydrophobicContact CD2-CG 3.59Å
114Y41.3Very low49.5Very low197 Ų197136.3 Ų136.377%0.77368%0.683SS**  trans-71.8125.3146-95.5-94000105.2R112 S116R112-Y114 PolarHBondContact O-N 3.38Å; Y114-S116 PolarHBondContact O-N 2.75Å
115Y46.4Very low47.9Very low138 Ų138141.6 Ų141.654%0.54170%0.699SS.*THydrogen-bonded Turntrans-68.726.5-174.5-97.5-81.3000114.3D55 M88D55-Y115 HydrophobicContact CB-CE2 4.21Å; M88-Y115 HydrophobicContact SD-CE2 4.5Å; M88-Y115 PolarHBondContact SD-OH 3.42Å
116S38.3Very low46Very low97 Ų97144.5 Ų144.568%0.67873%0.729SS**THydrogen-bonded Turntrans-111.418.3-177.6410000113.8Y114Y114-S116 PolarHBondContact O-N 2.75Å
117S36Very low44.6Very low98 Ų98141.4 Ų141.469%0.68573%0.728SS**SBendtrans-118.4120175.3-54.80000111
118P40.7Very low43.6Very low120 Ų120146.1 Ų146.178%0.77975%0.752SS**  trans-69.9141.5177.228.8-31.1000110.3L120P118-L120 PolarHBondContact O-N 2.84Å; P118-L120 VanDerWaalsContact O-N 3.08Å
119L40.4Very low43Very low131 Ų131151.1 Ų151.169%0.68676%0.764SS**  trans-64.9105178.1-64167.1000109.3N121L119-N121 PolarHBondContact O-N 3.28Å; L119-N121 VanDerWaalsContact O-N 3.14Å
120L40.6Very low42.7Very low169 Ų169148.8 Ų148.889%0.88576%0.756SS**  trans-66.4107.6157.8-93.6158.8000107.1P118 Q122P118-L120 PolarHBondContact O-N 2.84Å; P118-L120 VanDerWaalsContact O-N 3.08Å; L120-Q122 PolarHBondContact O-N 3.08Å
121N35.8Very low41.8Very low143 Ų143151.3 Ų151.377%0.76576%0.757SS**  trans-57.9108.3167.8-76.6-37.8000108.6L119 E123L119-N121 PolarHBondContact O-N 3.28Å; L119-N121 VanDerWaalsContact O-N 3.14Å; N121-E123 VanDerWaalsContact C-N 3.29Å; N121-E123 PolarHBondContact O-N 2.93Å; N121-E123 VanDerWaalsContact O-N 3.1Å
122Q42.2Very low41Very low169 Ų169152 Ų15279%0.7976%0.764SS**  trans-80.978.5171.6-176154.6300108.8L120L120-Q122 PolarHBondContact O-N 3.08Å
123E39.9Very low40.6Very low180 Ų180145.8 Ų145.884%0.84176%0.755SS**  trans-107.10.3172.7-77.5-141.1134.200114.6N121N121-E123 VanDerWaalsContact C-N 3.29Å; N121-E123 PolarHBondContact O-N 2.93Å; N121-E123 VanDerWaalsContact O-N 3.1Å
124Q42.7Very low40.2Very low166 Ų166148.2 Ų148.278%0.77677%0.774SS**SBendtrans-139.549-176.3-77.8-175.6-24.100115.4
125Y39.8Very low40.1Very low210 Ų210142.6 Ų142.682%0.82477%0.769SS**  trans-145.461.6156.9-63.9-71.6000110.7
126G36.3Very low39.8Very low84 Ų84142.5 Ų142.587%0.86679%0.787SS**  trans-105.657.3170.600000111.6
127C39Very low39.8Very low106 Ų106140.4 Ų140.472%0.71678%0.781SS**  trans-179.694.4163.8-173.10000104.6
128I38.6Very low40.6Very low160 Ų160144.2 Ų144.282%0.82179%0.794SS**  -145.5101.594.9-64118.6000107.7
129K45.3Very low41.3Very low197 Ų197147.6 Ų147.686%0.85780%0.796SS**  trans-103.5135.8148.5-112.9-177.6179.5179.40105.3
130E43.9Very low42.7Very low174 Ų174145.3 Ų145.381%0.81379%0.787SS**  trans102.4130.8166.2-57.7-176.3159.100117.9
131V34.4Very low44.3Very low127 Ų127141.9 Ų141.977%0.7777%0.77SS**  trans94.783.5164.7-160.90000118.5
132M35Very low46.2Very low170 Ų170139.9 Ų139.984%0.83777%0.765SS**  61.8169.5126.7-82.4176.26600121.5
133P44Very low47.9Very low107 Ų107136.3 Ų136.370%0.69575%0.754SS**  cis-130.1169.6-4.720.44.3000115.5
134I44.3Very low49.7Very low169 Ų169134 Ų13487%0.86774%0.739SS**  trans-68.5130.5162.2-62.4164.7000109.3
135A38Very low51.3Low80 Ų80130.9 Ų130.966%0.66172%0.724SS**  trans143.1136.6131.400000114.9
136C40.9Very low53.1Low136 Ų136123.9 Ų123.992%0.91971%0.71SS**  trans82101.7152.3-60.10000119.6
137G36.9Very low55.3Low53 Ų53125.3 Ų125.355%0.54670%0.697SS.*  trans163.8118.8157.100000109.3K139G137-K139 PolarHBondContact O-N 3.46Å
138N53.9Low57.3Low178 Ų178128 Ų12895%0.95269%0.692SS**  trans-57.777.2-178.6-71.2-24.7000112.6
139K55Low59.2Low191 Ų191126.5 Ų126.583%0.8368%0.68SS**  trans-113.795.6177.8-60.8-173-174.6-175.10106.6G137G137-K139 PolarHBondContact O-N 3.46Å
140V70.4Confident60.8Low83 Ų83119 Ų11950%0.50366%0.658SS.*  trans-55.7139167.3166.70000108.1Y144 E145V140-Y144 HydrophobicContact CG1-CD1 3.19Å; V140-Y144 HydrophobicContact CG1-CE1 4.01Å; V140-Y144 HydrophobicContact CG1-CG 3.86Å; V140-E145 HydrophobicContact CG1-CB 4.41Å
141D74.8Confident62.3Low97 Ų97114.8 Ų114.852%0.51964%0.644SS.*  trans-51.1131.5178.6-176.1-38.1000110.1V143 Y144 E145D141-V143 PolarHBondContact O-N 2.84Å; D141-V143 VanDerWaalsContact OD1-CB 3.31Å; D141-V143 WeakPolarHBondContact OD1-CB 3.21Å; D141-V143 WeakPolarHBondContact OD1-CG2 3.36Å; D141-V143 PolarHBondContact OD1-N 3.38Å; D141-Y144 WeakPolarHBondContact O-CA 3.17Å; D141-Y144 WeakPolarHBondContact O-CB 3.44Å; D141-Y144 PolarHBondContact O-N 3.46Å; D141-E145 PolarHBondContact O-N 3.28Å
142P74.3Confident64.1Low101 Ų101112.2 Ų112.266%0.65663%0.632SS**Hα-helixtrans-50-32.6177.4-26.632.7000113.8A146P142-A146 WeakPolarHBondContact O-CB 3.39Å; P142-A146 PolarHBondContact O-N 2.76Å
143V78.8Confident65.9Low93 Ų93109.9 Ų109.956%0.56462%0.622SS**Hα-helixtrans-69.6-42.2176.1-178.90000111.1D141 L147D141-V143 PolarHBondContact O-N 2.84Å; D141-V143 VanDerWaalsContact OD1-CB 3.31Å; D141-V143 WeakPolarHBondContact OD1-CB 3.21Å; D141-V143 WeakPolarHBondContact OD1-CG2 3.36Å; D141-V143 PolarHBondContact OD1-N 3.38Å; V143-L147 HydrophobicContact CG1-CD1 4.07Å; V143-L147 WeakPolarHBondContact O-CB 3.39Å; V143-L147 VanDerWaalsContact O-CG 3.31Å; V143-L147 WeakPolarHBondContact O-CG 3.39Å; V143-L147 PolarHBondContact O-N 3.37Å
144Y77.1Confident67Low133 Ų133107.6 Ų107.652%0.52261%0.612SS.*Hα-helixtrans-68.7-37.6176.4-176.4-80.6000111.3V140 D141 L147 R148V140-Y144 HydrophobicContact CG1-CD1 3.19Å; V140-Y144 HydrophobicContact CG1-CE1 4.01Å; V140-Y144 HydrophobicContact CG1-CG 3.86Å; D141-Y144 WeakPolarHBondContact O-CA 3.17Å; D141-Y144 WeakPolarHBondContact O-CB 3.44Å; D141-Y144 PolarHBondContact O-N 3.46Å; Y144-L147 PolarHBondContact O-N 3.07Å; Y144-R148 HydrophobicContact CE1-CB 4.48Å; Y144-R148 VanDerWaalsContact O-CB 3.23Å; Y144-R148 WeakPolarHBondContact O-CB 3.46Å; Y144-R148 PolarHBondContact O-N 3.35Å
145E77.1Confident67.9Low100 Ų100106.2 Ų106.247%0.46760%0.602SS.*Hα-helixtrans-61.8-48.1175-171.7169.8-162.400111V140 D141 L147 R148 F149V140-E145 HydrophobicContact CG1-CB 4.41Å; D141-E145 PolarHBondContact O-N 3.28Å; E145-L147 PolarHBondContact O-N 2.75Å; E145-R148 PolarHBondContact O-N 2.84Å; E145-F149 HydrophobicContact CG-CD2 3.81Å; E145-F149 HydrophobicContact CG-CE2 3.75Å; E145-F149 VanDerWaalsContact O-CD2 3.29Å; E145-F149 WeakPolarHBondContact O-CD2 3.43Å; E145-F149 PolarHBondContact O-N 2.77Å
146A77.4Confident68.8Low63 Ų63110.4 Ų110.452%0.52161%0.606SS.*Hα-helixtrans-60.5-44.2175.700000112.8P142 R148 F149 G150P142-A146 WeakPolarHBondContact O-CB 3.39Å; P142-A146 PolarHBondContact O-N 2.76Å; A146-R148 PolarHBondContact O-N 2.78Å; A146-F149 PolarHBondContact O-N 2.8Å; A146-G150 PolarHBondContact O-N 3.01Å
147L82.5Confident69.6Low114 Ų114107.7 Ų107.760%0.59759%0.593SS**Hα-helixtrans-63.6-39.6176.4-76.4167.5000112.1V143 Y144 E145 T151V143-L147 HydrophobicContact CG1-CD1 4.07Å; V143-L147 WeakPolarHBondContact O-CB 3.39Å; V143-L147 VanDerWaalsContact O-CG 3.31Å; V143-L147 WeakPolarHBondContact O-CG 3.39Å; V143-L147 PolarHBondContact O-N 3.37Å; Y144-L147 PolarHBondContact O-N 3.07Å; E145-L147 PolarHBondContact O-N 2.75Å; L147-T151 WeakPolarHBondContact O-CG2 3.44Å; L147-T151 PolarHBondContact O-N 2.94Å; L147-T151 PolarHBondContact O-OG1 2.8Å
148R81.5Confident70.4Confident161 Ų161114 Ų11461%0.60861%0.606SS**Hα-helixtrans-66.5-42.6176.3-175.2177.8178.499.30.2112.1Y144 E145 A146 T151 S152Y144-R148 HydrophobicContact CE1-CB 4.48Å; Y144-R148 VanDerWaalsContact O-CB 3.23Å; Y144-R148 WeakPolarHBondContact O-CB 3.46Å; Y144-R148 PolarHBondContact O-N 3.35Å; E145-R148 PolarHBondContact O-N 2.84Å; A146-R148 PolarHBondContact O-N 2.78Å; R148-T151 WeakPolarHBondContact CA-OG1 3.4Å; R148-T151 PolarHBondContact O-OG1 3.03Å; R148-S152 WeakPolarHBondContact O-CB 3.43Å; R148-S152 PolarHBondContact O-N 2.93Å; R148-S152 VanDerWaalsContact O-N 3.08Å
149F77.1Confident70.5Confident130 Ų130116.7 Ų116.757%0.5760%0.602SS**Hα-helixtrans-64.4-44.2175.1-89.8-76000111.9E145 A146 T151 S152 L153E145-F149 HydrophobicContact CG-CD2 3.81Å; E145-F149 HydrophobicContact CG-CE2 3.75Å; E145-F149 VanDerWaalsContact O-CD2 3.29Å; E145-F149 WeakPolarHBondContact O-CD2 3.43Å; E145-F149 PolarHBondContact O-N 2.77Å; A146-F149 PolarHBondContact O-N 2.8Å; F149-T151 PolarHBondContact O-N 3.36Å; F149-S152 PolarHBondContact O-N 2.68Å; F149-L153 PolarHBondContact O-N 3.16Å
150G78.8Confident70.3Confident40 Ų40111.3 Ų111.341%0.41259%0.593SS.*Hα-helixtrans-61.3-42178.100000113A146 L153 A154A146-G150 PolarHBondContact O-N 3.01Å; G150-L153 PolarHBondContact O-N 2.87Å; G150-A154 PolarHBondContact O-N 2.97Å; G150-A154 VanDerWaalsContact O-N 3.15Å
151T75.8Confident69Low84 Ų84113.4 Ų113.452%0.51561%0.611SS.*Hα-helixtrans-67.6-36.2176.344.10000112.7L147 R148 F149 A154 Q155L147-T151 WeakPolarHBondContact O-CG2 3.44Å; L147-T151 PolarHBondContact O-N 2.94Å; L147-T151 PolarHBondContact O-OG1 2.8Å; R148-T151 WeakPolarHBondContact CA-OG1 3.4Å; R148-T151 PolarHBondContact O-OG1 3.03Å; F149-T151 PolarHBondContact O-N 3.36Å; T151-A154 PolarHBondContact O-N 3.02Å; T151-Q155 WeakPolarHBondContact O-CG 3.35Å; T151-Q155 PolarHBondContact O-N 2.94Å; T151-Q155 VanDerWaalsContact O-N 3.16Å
152S73.3Confident67.1Low73 Ų73112.5 Ų112.551%0.5163%0.626SS.*Hα-helixtrans-67.3-41.1175.7-162.60000112.8R148 F149 A154 Q155 K156R148-S152 WeakPolarHBondContact O-CB 3.43Å; R148-S152 PolarHBondContact O-N 2.93Å; R148-S152 VanDerWaalsContact O-N 3.08Å; F149-S152 PolarHBondContact O-N 2.68Å; S152-A154 PolarHBondContact O-N 3.21Å; S152-Q155 PolarHBondContact O-N 2.88Å; S152-K156 PolarHBondContact O-N 2.79Å
153L72.5Confident65.4Low121 Ų121113.4 Ų113.463%0.63463%0.634SS**Hα-helixtrans-61.4-42.5174.3-80.4162.8000112.1F149 G150 Q155 K156 A157F149-L153 PolarHBondContact O-N 3.16Å; G150-L153 PolarHBondContact O-N 2.87Å; L153-Q155 VanDerWaalsContact C-N 3.34Å; L153-Q155 PolarHBondContact O-N 2.94Å; L153-K156 PolarHBondContact O-N 3.49Å; L153-A157 PolarHBondContact O-N 2.86Å
154A66.3Low63.2Low59 Ų59115.9 Ų115.949%0.48864%0.644SS.*Hα-helixtrans-66.4-33.2178.600000113.1G150 T151 S152G150-A154 PolarHBondContact O-N 2.97Å; G150-A154 VanDerWaalsContact O-N 3.15Å; T151-A154 PolarHBondContact O-N 3.02Å; S152-A154 PolarHBondContact O-N 3.21Å
155Q62.7Low61.1Low141 Ų141114 Ų11466%0.65965%0.65SS**Hα-helixtrans-73.7-32.4174.4-72.5-179.5-7.600112.4T151 S152 L153 K158T151-Q155 WeakPolarHBondContact O-CG 3.35Å; T151-Q155 PolarHBondContact O-N 2.94Å; T151-Q155 VanDerWaalsContact O-N 3.16Å; S152-Q155 PolarHBondContact O-N 2.88Å; L153-Q155 VanDerWaalsContact C-N 3.34Å; L153-Q155 PolarHBondContact O-N 2.94Å; Q155-K158 PolarHBondContact O-N 3.36Å
156K57.9Low59.4Low167 Ų167115.3 Ų115.373%0.72667%0.667SS**Hα-helixtrans-70.4-35.9176.3-158.7171-175.9-179.30112S152 L153 K158 R159S152-K156 PolarHBondContact O-N 2.79Å; L153-K156 PolarHBondContact O-N 3.49Å; K156-K158 PolarHBondContact O-N 3.17Å; K156-R159 PolarHBondContact O-N 3.36Å
157A57Low57.3Low79 Ų79120.9 Ų120.965%0.65368%0.683SS**Hα-helixtrans-66.8-20.4175.200000114L153L153-A157 PolarHBondContact O-N 2.86Å
158K55Low54.9Low187 Ų187126.6 Ų126.681%0.81370%0.696SS**THydrogen-bonded Turntrans-85.4-1.7175.2-70.4-168179.3-172.40114.6Q155 K156Q155-K158 PolarHBondContact O-N 3.36Å; K156-K158 PolarHBondContact O-N 3.17Å
159R54.7Low52.6Low234 Ų234126.2 Ų126.288%0.88371%0.706SS**THydrogen-bonded Turntrans-112.79.6-179.2-68.9-167.1179.7-121.22.7114.8K156K156-R159 PolarHBondContact O-N 3.36Å
160A50.8Low50.4Low77 Ų77125.8 Ų125.864%0.63672%0.719SS**SBendtrans-126.263.117700000110.9
161S43.6Very low48.1Very low127 Ų127127.9 Ų127.989%0.88873%0.733SS**SBendtrans165.5116.3150.9-79.10000109.2
162G35.8Very low46.1Very low79 Ų79128.8 Ų128.881%0.81474%0.743SS**  trans140.186.3174.900000112.6
163S38.3Very low44Very low120 Ų120131.8 Ų131.884%0.83975%0.753SS**  trans-58.1138.8164.148.40000111.8
164D32.4Very low42.1Very low145 Ų145132.7 Ų132.778%0.77576%0.757SS**  -171.4139115.4-148-9.1000114.4
165S32.1Very low40.5Very low93 Ų93136 Ų13665%0.6577%0.767SS**  trans65.7132.8148.2-68.30000123.7
166P41.8Very low38.9Very low127 Ų127136.4 Ų136.483%0.82577%0.774SS**  trans-92.1152.6146.732.9-22000112.3
167H34.1Very low37.5Very low181 Ų181134.5 Ų134.584%0.83878%0.776SS**  trans-58.8146.4-176-153.7-68.8000114.2
168R32.2Very low36.8Very low234 Ų234135.7 Ų135.788%0.88378%0.777SS**  trans-43.7132.6169.5-77.1-93.3-179.7-153-1.3114.2
169N31.3Very low35.6Very low153 Ų153134.7 Ų134.782%0.81878%0.775SS**  trans-159.4148.8133.349.4-2.3000111.5
170S31.6Very low34.4Very low121 Ų121131.2 Ų131.285%0.84677%0.769SS**  trans-62.3150.4-162.3-46.90000116.9
171A30.1Very low33.4Very low84 Ų84133.9 Ų133.969%0.69478%0.777SS**  138.7141.2107.500000112.7
172S33.6Very low32.7Very low103 Ų103133.8 Ų133.872%0.7277%0.771SS**  trans66.5142.7157.866.80000117
173D29.9Very low32.3Very low136 Ų136133.4 Ų133.473%0.72776%0.76SS**  cis-174.9143.9-12.6-111.8-41.1000104.3
174L33.2Very low31.9Very low139 Ų139135.8 Ų135.873%0.72876%0.757SS**  trans66.4115.6145.9-57177.4000121.3
175D31.8Very low31.6Very low130 Ų130134 Ų13470%0.69576%0.757SS**  109.4123.3120.4-85.3-41.1000121.1
176N30.2Very low31.4Very low148 Ų148134.7 Ų134.779%0.79176%0.761SS**  trans78.796.7149.8-67.4-29.2000122
177V28.3Very low30.8Very low128 Ų128138.9 Ų138.978%0.77676%0.76SS**  trans-73.7147.6139.6177.50000106.6
178P41.9Very low30.5Very low103 Ų103137 Ų13767%0.66975%0.752SS**  -157.816368.941.6-17.9000122
179E29Very low30.2Very low166 Ų166132.8 Ų132.878%0.77674%0.743SS**  trans59.2119.1136.2-74.2178.9126.200121.4
180E30.7Very low30.3Very low162 Ų162133 Ų13376%0.75774%0.743SS**  63.9114.782.5-75-95.616000113.3
181V30.2Very low30.1Very low133 Ų133131.9 Ų131.981%0.80674%0.735SS**  176.7123.8113.7-89.60000113.3
182V28.7Very low30.2Very low125 Ų125140.2 Ų140.276%0.75875%0.749SS**  trans24.7131131.2-146.60000120.3
183A27.6Very low30.2Very low71 Ų71144.1 Ų144.159%0.58775%0.753SS**  140137.3105.500000118.2
184H29.4Very low30.1Very low169 Ų169145.4 Ų145.478%0.78275%0.754SS**  trans81.3109145.4-60.3-48.2000123.6
185S25.7Very low30Very low109 Ų109143.8 Ų143.876%0.76275%0.754SS**  66.9121.3113.6-54.60000123.2
186S27.6Very low30.1Very low107 Ų107143.3 Ų143.375%0.74875%0.752SS**  98.7130.5126.3-144.40000122.1
187R29.7Very low30.4Very low214 Ų214143.4 Ų143.481%0.80875%0.752SS**  trans81.1107.2146.4-79.5176.6117.4157.24.2123.2
188Q27.8Very low30.5Very low143 Ų143143.4 Ų143.467%0.66875%0.752SS**  58121.9112.9-150.5171.6-0.200122.3
189E26.8Very low30Very low145 Ų145147.3 Ų147.368%0.67876%0.759SS**  trans68.3129.3145.6-77176.4139.600125
190L32.8Very low30.1Very low156 Ų156146.2 Ų146.282%0.81776%0.764SS**  trans56.2113.2138.6-61.3169.1000120.3
191S27.6Very low30.1Very low99 Ų99143.6 Ų143.669%0.69276%0.758SS**  trans-168.7108.1145.5157.70000110.8
192R32.5Very low30Very low259 Ų259146 Ų14698%0.97776%0.763SS**  trans-120.1122.9154.5-80.2-176176.4167.8-0.8107.9
193K32.3Very low30.1Very low185 Ų185147.9 Ų147.980%0.80476%0.764SS**  trans-82.1133.2-178.2-67177.5174.7-179.50110.3
194H27.7Very low30.2Very low163 Ų163151.4 Ų151.476%0.75577%0.773SS**  70.6124.6104.9-148.7-79.8000113.7D196H194-D196 IonicContact CE1-OD2 3.67Å; H194-D196 IonicContact NE2-OD2 3.62Å
195S32.1Very low30.1Very low105 Ų105146.6 Ų146.673%0.73477%0.769SS**  -159.9157.85858.40000117
196D34.1Very low30.3Very low120 Ų120145.5 Ų145.564%0.64277%0.766SS**  trans-69.5156.7178.1-54.8-66.2000116.3H194H194-D196 IonicContact CE1-OD2 3.67Å; H194-D196 IonicContact NE2-OD2 3.62Å
197D35.2Very low30.4Very low150 Ų150148.8 Ų148.880%0.80277%0.77SS**  179.8131.4101.1-101.7-27.6000115.4
198V31.4Very low30.2Very low128 Ų128143.5 Ų143.578%0.77677%0.765SS**  trans78.2118.5136-176.80000122.9
199F30.7Very low30.5Very low185 Ų185144.2 Ų144.281%0.81177%0.772SS**  trans-66.9146.8167.2-101.3-102.1000114.9
200T31.8Very low30.5Very low143 Ų143148.4 Ų148.488%0.87778%0.783SS**  trans-153.2138.6135.4-27.70000112.1
201V30.6Very low30.6Very low106 Ų106148.7 Ų148.764%0.64279%0.785SS**  trans-98.1144.2178.2158.10000109.6
202M28.7Very low31Very low183 Ų183148.8 Ų148.890%0.90178%0.783SS**  179.4126.2122-92.4-164.4-169.400114.2
203Q30.2Very low30.8Very low166 Ų166144.5 Ų144.578%0.77677%0.774SS**  trans-21.8143.5148.2-111.4171.7-32.800118.3
204N30.3Very low30.7Very low144 Ų144146.9 Ų146.977%0.7778%0.778SS**  164.3149.889.2-106.2-16.6000114.6
205G27.4Very low30.6Very low69 Ų69148.9 Ų148.971%0.71179%0.785SS**  trans131.475.3168.100000111
206A30Very low30.8Very low85 Ų85147.7 Ų147.770%0.70278%0.781SS**  59.312257.600000110.3
207E28.3Very low30.8Very low176 Ų176149 Ų14982%0.82279%0.788SS**  cis-163.5135.241.1-77.7-165.2150.400111.2
208C26.2Very low30.8Very low103 Ų103149 Ų14970%0.69679%0.788SS**  88.1105.494-62.10000113.6
209L33.6Very low31.1Very low158 Ų158150.6 Ų150.683%0.82779%0.791SS**  61.3109.983.4-70.5177.7000115.1
210Y26.7Very low31.5Very low233 Ų233147.7 Ų147.791%0.91479%0.791SS**  trans-153119.9143.6-101.4-83.7000110.6
211L35.5Very low31.7Very low163 Ų163149.3 Ų149.385%0.85379%0.791SS**  trans-135.8143.1150.4-94.4171.3000105.1
212P35.1Very low31.9Very low101 Ų101152 Ų15266%0.65680%0.802SS**  -151.4147.29134.7-14.2000117.4
213E29.2Very low32.4Very low169 Ų169151.4 Ų151.479%0.7980%0.797SS**  trans41.9127.2139.7-63.1170.9112.100122
214R29.9Very low33.2Very low234 Ų234149.9 Ų149.988%0.88379%0.793SS**  178136.9105.5-96170-176.6164.23.9115.7
215K26.5Very low33.7Very low206 Ų206150.9 Ų150.990%0.89679%0.793SS**  trans96130.4146.4-76.5-175.8175.9-172.20121
216A34.9Very low34.7Very low80 Ų80154.1 Ų154.166%0.66179%0.793SS**  trans-80.4151-178.700000112.9
217D35.1Very low35.3Very low146 Ų146158 Ų15878%0.78180%0.797SS**  170.2149.2103.4-82.5-36.2000110.6
218D34.1Very low36Very low151 Ų151155.8 Ų155.881%0.80779%0.79SS**  trans81.7100.9161.7-62.7-47000122.5
219L39Very low36.6Very low161 Ų161158.1 Ų158.184%0.84380%0.796SS**  trans14140.6149.9-59.6173.8000120.6
220P37.8Very low37Very low124 Ų124156 Ų15681%0.80579%0.792SS**  -144.1144.587.134.2-16.4000116.6
221M37.3Very low37.9Very low177 Ų177152.4 Ų152.487%0.87279%0.787SS**  trans18.2101.8146.8-126157.269.400116.5Q223M221-Q223 PolarHBondContact O-N 3.07Å
222D33.7Very low38.7Very low162 Ų162151.9 Ų151.987%0.86678%0.778SS**  trans-56.1110.1174.7-116.3-23.1000110I224D222-I224 PolarHBondContact O-N 3.35Å
223Q39.9Very low40.2Very low172 Ų172152.6 Ų152.680%0.80478%0.776SS**  trans-61.8116.5166.9-74.8169.7-700107.3M221 Q225M221-Q223 PolarHBondContact O-N 3.07Å; Q223-Q225 PolarHBondContact O-N 2.93Å
224I47.6Very low42.9Very low134 Ų134147 Ų14769%0.68775%0.752SS**  trans-51.5106.5162.6-64169.6000106.3D222 L226D222-I224 PolarHBondContact O-N 3.35Å; I224-L226 PolarHBondContact O-N 3.01Å
225Q39.4Very low46Very low164 Ų164138 Ų13877%0.76672%0.722SS**  trans-65.290.9169.8-78.6169.10.500107.3Q223 Q227Q223-Q225 PolarHBondContact O-N 2.93Å; Q225-Q227 PolarHBondContact O-N 3.42Å
226L49.9Very low49.2Very low137 Ų137128.2 Ų128.272%0.71768%0.68SS**  trans-62.680.2157.8-96.4134.2000107.7I224 N228I224-L226 PolarHBondContact O-N 3.01Å; L226-N228 VanDerWaalsContact C-N 3.31Å
227Q40.7Very low52.1Low168 Ų168124.4 Ų124.479%0.78565%0.648SS**  trans-91.678.2153.6-78.2-174.316.200107.3Q225Q225-Q227 PolarHBondContact O-N 3.42Å
228N43.6Very low55Low128 Ų128117.4 Ų117.468%0.68461%0.611SS**SBendtrans-141.4129.7153.4-84.6-32.7000106.2L226L226-N228 VanDerWaalsContact C-N 3.31Å
229D38.3Very low57.9Low152 Ų152110.4 Ų110.481%0.81357%0.574SS**  trans-31.7132.5-178.7-133.8-19.3000113.8L231D229-L231 PolarHBondContact O-N 3.13Å
230P42.8Very low60.6Low114 Ų114106.8 Ų106.874%0.7455%0.549SS*.THydrogen-bonded Turntrans-79.122.8-161.432.2-33.8000115.4
231L46Very low63.3Low157 Ų157106.4 Ų106.482%0.82254%0.54SS*.THydrogen-bonded Turntrans-135.811.1-166.6-66.6175.5000117.5D229D229-L231 PolarHBondContact O-N 3.13Å
232K51.7Low66.1Low152 Ų15299 Ų9966%0.66150%0.503SS*.  trans-151.990.3164.9-118.5166.7-173.7176.10111.6N234K232-N234 PolarHBondContact O-N 3.34Å; K232-N234 VanDerWaalsContact O-N 3.17Å; K232-N234 PolarHBondContact O-OD1 2.82Å
233L66.4Low69Low116 Ų11695.1 Ų95.161%0.60749%0.489SS*.  trans-74100.8160.7-66.7176.6000106.8T235 L259L233-T235 PolarHBondContact O-N 3.31Å; L233-T235 PolarHBondContact O-OG1 2.79Å; L233-L259 HydrophobicContact CB-CD2 4.42Å
234N87.2Confident71.5Confident53 Ų5389.1 Ų89.128%0.28347%0.469SS..  trans-62113.3177.4-65.426.6000107.7K232 L260 E287K232-N234 PolarHBondContact O-N 3.34Å; K232-N234 VanDerWaalsContact O-N 3.17Å; K232-N234 PolarHBondContact O-OD1 2.82Å; N234-L260 HydrophobicContact CB-CB 4.28Å; N234-L260 HydrophobicContact CB-CD2 4.07Å; N234-L260 VanDerWaalsContact O-CB 3.32Å; N234-L260 WeakPolarHBondContact O-CB 3.35Å; N234-L260 PolarHBondContact O-N 3.03Å; N234-E287 PolarHBondContact ND2-OE1 3.06Å
235T93.2Very high73.5Confident43 Ų4390.9 Ų90.926%0.26447%0.474SS..EExtended strand (participates in β ladder)trans-87.8132.9178.5-56.20000107.9L233 L288L233-T235 PolarHBondContact O-N 3.31Å; L233-T235 PolarHBondContact O-OG1 2.79Å; T235-L288 HydrophobicContact CG2-CD1 4.12Å; T235-L288 WeakPolarHBondContact O-CB 3.42Å; T235-L288 PolarHBondContact O-N 3.07Å
236L94.7Very high76Confident1 Ų188.8 Ų88.81%0.00546%0.464CS..EExtended strand (participates in β ladder)trans-116.5161.9176.5-44170.6000109.8R257 I258 L260 W269 F280 A285 H286 E287L236-R257 WeakPolarHBondContact O-CA 3.33Å; L236-I258 HydrophobicContact CB-CB 4.21Å; L236-I258 PolarHBondContact N-O 3.24Å; L236-I258 PolarHBondContact O-N 3.15Å; L236-L260 HydrophobicContact CD1-CB 4.07Å; L236-L260 HydrophobicContact CD1-CD1 4.04Å; L236-L260 HydrophobicContact CD1-CG 4.47Å; L236-L260 HydrophobicContact CG-CB 4.29Å; L236-W269 HydrophobicContact CD1-CE3 3.82Å; L236-W269 HydrophobicContact CD1-CZ3 4.01Å; L236-W269 HydrophobicContact CD2-CZ3 4.41Å; L236-F280 HydrophobicContact CD1-CE2 4.4Å; L236-F280 HydrophobicContact CD1-CZ 3.86Å; L236-A285 HydrophobicContact CB-CB 4.16Å; L236-A285 HydrophobicContact CD1-CB 4.08Å; L236-H286 CarbonylContact C-O 3.6Å; L236-H286 WeakPolarHBondContact CA-O 3.43Å; L236-H286 WeakPolarHBondContact CB-O 3.38Å; L236-E287 VanDerWaalsContact CD2-CA 3.43Å; L236-E287 HydrophobicContact CD2-CB 3.63Å; L236-E287 HydrophobicContact CD2-CG 3.84Å
237V95.6Very high78Confident0 Ų088.6 Ų88.60%047%0.474CS..EExtended strand (participates in β ladder)trans-119.8136.416764.80000110.6L239 D256 A285 H286 L288 V294 I317 V319V237-L239 PolarHBondContact O-N 2.64Å; V237-D256 CarbonylContact C-O 3.56Å; V237-D256 WeakPolarHBondContact CA-O 3.45Å; V237-A285 CarbonylContact O-C 3.58Å; V237-A285 VanDerWaalsContact O-CA 3.29Å; V237-A285 WeakPolarHBondContact O-CA 3.46Å; V237-H286 HydrophobicContact CG1-CB 3.96Å; V237-H286 PolarHBondContact N-O 2.89Å; V237-H286 PolarHBondContact O-N 3.02Å; V237-L288 HydrophobicContact CB-CD1 4.28Å; V237-L288 HydrophobicContact CB-CD2 4.34Å; V237-L288 HydrophobicContact CB-CG 4.43Å; V237-L288 HydrophobicContact CG1-CD2 3.84Å; V237-L288 HydrophobicContact CG1-CG 4.36Å; V237-V294 HydrophobicContact CB-CG2 4.42Å; V237-V294 HydrophobicContact CG1-CG2 4.47Å; V237-V294 HydrophobicContact CG2-CG1 3.84Å; V237-V294 HydrophobicContact CG2-CG2 4.46Å; V237-I317 HydrophobicContact CG2-CG2 3.93Å; V237-V319 HydrophobicContact CG1-CG2 3.69Å
238A96.4Very high80.4Confident0 Ų084.8 Ų84.80%046%0.457CS..EExtended strand (participates in β ladder)trans-69.6120.7171.600000110.6M252 R253 A254 G255 D256 I258A238-M252 HydrophobicContact CB-CB 4.25Å; A238-M252 HydrophobicContact CB-CG 4.32Å; A238-M252 HydrophobicContact CB-SD 3.8Å; A238-R253 WeakPolarHBondContact CB-O 3.2Å; A238-A254 CarbonylContact O-C 3.58Å; A238-A254 WeakPolarHBondContact O-CA 3.27Å; A238-G255 PolarHBondContact O-N 3.03Å; A238-D256 HydrophobicContact CB-CB 4.25Å; A238-D256 PolarHBondContact N-O 2.8Å; A238-I258 HydrophobicContact CB-CD1 4.09Å
239L95.1Very high82.9Confident4 Ų479.5 Ų79.52%0.02143%0.428CS..SBendtrans-81.1-27.4176.3-63.5178.7000112.8V237 F284 H286 I317V237-L239 PolarHBondContact O-N 2.64Å; L239-F284 WeakPolarHBondContact CB-O 3.31Å; L239-F284 PolarHBondContact N-O 3.02Å; L239-H286 HydrophobicContact CD1-CB 4.08Å; L239-H286 HydrophobicContact CD2-CB 3.84Å; L239-H286 HydrophobicContact CG-CB 3.98Å; L239-I317 HydrophobicContact CD2-CB 4.38Å; L239-I317 HydrophobicContact CD2-CG2 4.48Å; L239-I317 WeakPolarHBondContact CD2-O 3.32Å
240Y94.8Very high85.6Confident85 Ų8572.4 Ų72.433%0.33339%0.39SS..SBendtrans-135.1164.5-177.7-53.8-80.3000110.4F284 F333Y240-F284 HydrophobicContact CD2-CB 4.42Å; Y240-F284 HydrophobicContact CD2-CD1 4.29Å; Y240-F284 HydrophobicContact CD2-CD2 4.27Å; Y240-F284 HydrophobicContact CD2-CG 4.07Å; Y240-F284 HydrophobicContact CG-CD2 4.44Å; Y240-F333 AromaticContact CE1-CZ 3.77Å; Y240-F333 HydrophobicContact CE1-CZ 3.77Å; Y240-F333 HydrophobicContact CE2-CZ 4.28Å; Y240-F333 AromaticContact CZ-CE1 3.99Å; Y240-F333 AromaticContact CZ-CZ 3.45Å; Y240-F333 VanDerWaalsContact CZ-CZ 3.45Å; Y240-F333 WeakPolarHBondContact OH-CE1 3.28Å; Y240-F333 WeakPolarHBondContact OH-CZ 3.46Å
241D95.2Very high88.1Confident115 Ų11571.8 Ų71.862%0.61538%0.376SS*.  trans-73.7139.1165.555.4-32.8000111.1M252D241-M252 WeakPolarHBondContact CA-O 3.32Å
242F95.6Very high90.4Very high22 Ų2264.5 Ų64.510%0.09634%0.338CS..BIsolated β-bridgetrans-135.7121.9172173.5-107.6000109D249 L250 K251 M252 W268 F280 P281 F284F242-D249 HydrophobicContact CE1-CB 4.03Å; F242-D249 HydrophobicContact CZ-CB 4.38Å; F242-L250 WeakPolarHBondContact CD1-O 3.35Å; F242-K251 WeakPolarHBondContact O-CA 3.43Å; F242-M252 HydrophobicContact CB-CG 3.6Å; F242-M252 HydrophobicContact CB-SD 4.18Å; F242-M252 PolarHBondContact N-O 2.87Å; F242-M252 PolarHBondContact O-N 2.8Å; F242-W268 HydrophobicContact CZ-CH2 4.07Å; F242-W268 HydrophobicContact CZ-CZ3 4Å; F242-F280 HydrophobicContact CD1-CB 4.3Å; F242-F280 HydrophobicContact CE1-CB 4.42Å; F242-P281 HydrophobicContact CD2-CG 4.17Å; F242-P281 HydrophobicContact CE2-CG 4Å; F242-P281 HydrophobicContact CZ-CG 4.41Å; F242-F284 HydrophobicContact CB-CD2 4.03Å; F242-F284 HydrophobicContact CB-CE2 4.39Å
243S94.1Very high92.5Very high81 Ų8165.4 Ų65.457%0.56634%0.337SS*.  trans-93.2122.8177.8-65.50000108.7Q245S243-Q245 PolarHBondContact O-N 2.82Å
244A92.5Very high93.9Very high46 Ų4661.1 Ų61.138%0.3832%0.318SS..  trans-56124.9174.600000110.4D249 K251A244-D249 HydrophobicContact CB-CB 3.6Å; A244-K251 HydrophobicContact CB-CB 3.99Å
245Q91.4Very high94.3Very high170 Ų17059.2 Ų59.279%0.79431%0.312SS*.  trans-99.4-36.3175.2-57.8-168.9-7100110.2S243 D249S243-Q245 PolarHBondContact O-N 2.82Å; Q245-D249 PolarHBondContact N-OD2 2.88Å
246E91.9Very high94.4Very high120 Ų12059.3 Ų59.356%0.56131%0.31SS*.SBendtrans-108163.5178.2-55.5-164.3-166.700111.8H248 D249E246-H248 PolarHBondContact O-N 2.79Å; E246-H248 IonicContact OE2-CE1 2.81Å; E246-H248 PolarHBondContact OE2-CE1 2.64Å; E246-H248 IonicContact OE2-ND1 3.63Å; E246-H248 IonicContact OE2-NE2 3.69Å; E246-D249 PolarHBondContact N-OD2 2.71Å; E246-D249 WeakPolarHBondContact O-CB 3.22Å; E246-D249 PolarHBondContact O-N 2.98Å
247S90.3Very high94.4Very high133 Ų13366 Ų6693%0.9334%0.335SS*.THydrogen-bonded Turntrans-66.3-21.9-178.853.50000113.7
248H92.7Very high94.4Very high89 Ų8966 Ų6641%0.41234%0.335SS..THydrogen-bonded Turntrans-97.32178.261.8-99.6000113.2E246 G278 Y279E246-H248 PolarHBondContact O-N 2.79Å; E246-H248 IonicContact OE2-CE1 2.81Å; E246-H248 PolarHBondContact OE2-CE1 2.64Å; E246-H248 IonicContact OE2-ND1 3.63Å; E246-H248 IonicContact OE2-NE2 3.69Å; H248-G278 CarbonylContact O-C 3.59Å; H248-G278 WeakPolarHBondContact O-CA 3.08Å; H248-Y279 HydrophobicContact CB-CD2 4.24Å; H248-Y279 AromaticContact CD2-CD2 3.65Å; H248-Y279 PolarHBondContact O-N 2.78Å
249D94.9Very high94.3Very high16 Ų1669.6 Ų69.69%0.08635%0.354CS..BIsolated β-bridgetrans-80138.7178-73.3-16.6000111.7F242 A244 Q245 E246 K251 Y279F242-D249 HydrophobicContact CE1-CB 4.03Å; F242-D249 HydrophobicContact CZ-CB 4.38Å; A244-D249 HydrophobicContact CB-CB 3.6Å; Q245-D249 PolarHBondContact N-OD2 2.88Å; E246-D249 PolarHBondContact N-OD2 2.71Å; E246-D249 WeakPolarHBondContact O-CB 3.22Å; E246-D249 PolarHBondContact O-N 2.98Å; D249-K251 PolarHBondContact O-N 3.08Å; D249-Y279 CarbonylContact C-O 3.45Å; D249-Y279 WeakPolarHBondContact CA-O 3.49Å
250L95.1Very high94.3Very high3 Ų370.6 Ų70.62%0.01636%0.359CS..  trans-90100.4176.6-174.263.8000110.8F242 M252 I258 G271 I273 R276 Y279 F280F242-L250 WeakPolarHBondContact CD1-O 3.35Å; L250-M252 HydrophobicContact CD2-CE 4.5Å; L250-M252 PolarHBondContact O-N 2.96Å; L250-I258 HydrophobicContact CD2-CG2 4.35Å; L250-G271 WeakPolarHBondContact CD2-O 3.35Å; L250-I273 HydrophobicContact CD1-CB 4.38Å; L250-I273 HydrophobicContact CD1-CD1 4.27Å; L250-I273 HydrophobicContact CD1-CG1 4.42Å; L250-I273 HydrophobicContact CD2-CD1 3.8Å; L250-I273 HydrophobicContact CD2-CG1 3.9Å; L250-I273 HydrophobicContact CG-CD1 3.84Å; L250-I273 HydrophobicContact CG-CG1 4.3Å; L250-R276 HydrophobicContact CD1-CB 3.89Å; L250-R276 WeakPolarHBondContact CD1-O 3.33Å; L250-Y279 PolarHBondContact N-O 2.84Å; L250-F280 HydrophobicContact CB-CD1 4.43Å; L250-F280 HydrophobicContact CD2-CD1 3.81Å; L250-F280 HydrophobicContact CD2-CE1 4.25Å
251K95.1Very high94.2Very high102 Ų10268.8 Ų68.844%0.44336%0.362SS..  trans-62.9123.4172.4-179.7-179.9-178175.20111.3F242 A244 D249 R276F242-K251 WeakPolarHBondContact O-CA 3.43Å; A244-K251 HydrophobicContact CB-CB 3.99Å; D249-K251 PolarHBondContact O-N 3.08Å; K251-R276 PolarHBondContact O-NH1 3Å
252M95.6Very high94Very high3 Ų366 Ų662%0.01535%0.348CS..BIsolated β-bridgetrans-132.9156.4179.559.3177.463.700112.5A238 D241 F242 L250 I258 I273 F280 F284A238-M252 HydrophobicContact CB-CB 4.25Å; A238-M252 HydrophobicContact CB-CG 4.32Å; A238-M252 HydrophobicContact CB-SD 3.8Å; D241-M252 WeakPolarHBondContact CA-O 3.32Å; F242-M252 HydrophobicContact CB-CG 3.6Å; F242-M252 HydrophobicContact CB-SD 4.18Å; F242-M252 PolarHBondContact N-O 2.87Å; F242-M252 PolarHBondContact O-N 2.8Å; L250-M252 HydrophobicContact CD2-CE 4.5Å; L250-M252 PolarHBondContact O-N 2.96Å; M252-I258 HydrophobicContact CE-CD1 3.54Å; M252-I258 HydrophobicContact CE-CG1 4.49Å; M252-I258 HydrophobicContact SD-CD1 4.08Å; M252-I273 HydrophobicContact CB-CD1 3.57Å; M252-F280 HydrophobicContact CE-CB 3.23Å; M252-F280 HydrophobicContact CE-CD1 3.76Å; M252-F280 HydrophobicContact CE-CD2 3.51Å; M252-F280 HydrophobicContact CE-CE1 4.48Å; M252-F280 HydrophobicContact CE-CE2 4.28Å; M252-F280 HydrophobicContact CE-CG 3.2Å; M252-F280 HydrophobicContact SD-CB 4.43Å; M252-F280 HydrophobicContact SD-CD2 4.48Å; M252-F284 HydrophobicContact SD-CB 4.49Å
253R95.7Very high93.8Very high171 Ų17169.5 Ų69.565%0.64537%0.367SS*.  trans-116.3151.9172.2-60.8-176.5-178.2-152.62.7109.9A238 G255 D256A238-R253 WeakPolarHBondContact CB-O 3.2Å; R253-G255 PolarHBondContact O-N 3.34Å; R253-G255 VanDerWaalsContact O-N 3.08Å; R253-D256 PolarHBondContact N-OD2 3.47Å; R253-D256 WeakPolarHBondContact O-CB 3.46Å; R253-D256 VanDerWaalsContact O-CG 3.26Å; R253-D256 PolarHBondContact O-N 2.69Å
254A95.2Very high93.6Very high26 Ų2670.7 Ų70.722%0.21538%0.376CS..THydrogen-bonded Turntrans-57.4115.8175.700000111.1A238 R296 I317A238-A254 CarbonylContact O-C 3.58Å; A238-A254 WeakPolarHBondContact O-CA 3.27Å; A254-R296 PolarHBondContact O-NH2 2.85Å; A254-I317 HydrophobicContact CB-CD1 4.35Å; A254-I317 HydrophobicContact CB-CG1 3.76Å
255G94.6Very high93.6Very high14 Ų1472.3 Ų72.314%0.14438%0.378CS..THydrogen-bonded Turntrans108.2-8.9-177.800000114.2A238 R253A238-G255 PolarHBondContact O-N 3.03Å; R253-G255 PolarHBondContact O-N 3.34Å; R253-G255 VanDerWaalsContact O-N 3.08Å
256D95.5Very high93.5Very high44 Ų4471 Ų7124%0.23538%0.376CS..  trans-63.8139.3177.2-70.5-6.2000110.8V237 A238 R253 I273V237-D256 CarbonylContact C-O 3.56Å; V237-D256 WeakPolarHBondContact CA-O 3.45Å; A238-D256 HydrophobicContact CB-CB 4.25Å; A238-D256 PolarHBondContact N-O 2.8Å; R253-D256 PolarHBondContact N-OD2 3.47Å; R253-D256 WeakPolarHBondContact O-CB 3.46Å; R253-D256 VanDerWaalsContact O-CG 3.26Å; R253-D256 PolarHBondContact O-N 2.69Å; D256-I273 HydrophobicContact CB-CD1 4.33Å
257R94.6Very high93.6Very high142 Ų14270.8 Ų70.854%0.53638%0.379SS..EExtended strand (participates in β ladder)trans-88125.3173.9-66.8179.9178.6-110.2-1.8109.4L236L236-R257 WeakPolarHBondContact O-CA 3.33Å
258I95.6Very high93.8Very high0 Ų069.2 Ų69.20%035%0.353CS..EExtended strand (participates in β ladder)trans-115.3129.7-176.4-52159.8000108L236 A238 L250 M252 I273 F280 A285L236-I258 HydrophobicContact CB-CB 4.21Å; L236-I258 PolarHBondContact N-O 3.24Å; L236-I258 PolarHBondContact O-N 3.15Å; A238-I258 HydrophobicContact CB-CD1 4.09Å; L250-I258 HydrophobicContact CD2-CG2 4.35Å; M252-I258 HydrophobicContact CE-CD1 3.54Å; M252-I258 HydrophobicContact CE-CG1 4.49Å; M252-I258 HydrophobicContact SD-CD1 4.08Å; I258-I273 HydrophobicContact CB-CG1 4.23Å; I258-I273 HydrophobicContact CG1-CD1 3.81Å; I258-I273 HydrophobicContact CG1-CG1 3.66Å; I258-I273 HydrophobicContact CG2-CG1 4.29Å; I258-F280 HydrophobicContact CD1-CE2 4.33Å; I258-F280 HydrophobicContact CD1-CZ 4.26Å; I258-F280 HydrophobicContact CG2-CE1 3.81Å; I258-F280 HydrophobicContact CG2-CZ 4.01Å; I258-A285 HydrophobicContact CD1-CB 4.29Å
259L94.9Very high93.9Very high75 Ų7567.4 Ų67.439%0.39334%0.342SS..EExtended strand (participates in β ladder)trans-86.5120.5166.6-63.3173.9000108.3L233 A261 G271 V272L233-L259 HydrophobicContact CB-CD2 4.42Å; L259-A261 PolarHBondContact O-N 2.92Å; L259-G271 CarbonylContact O-C 3.55Å; L259-G271 WeakPolarHBondContact O-CA 3.41Å; L259-V272 HydrophobicContact CB-CB 4.32Å; L259-V272 PolarHBondContact N-O 3.4Å; L259-V272 PolarHBondContact O-N 3.13Å
260L94.6Very high93.9Very high25 Ų2569.6 Ų69.613%0.13135%0.351CS..EExtended strand (participates in β ladder)trans-69.7126177.4-17761.5000109.7N234 L236 D263 W269N234-L260 HydrophobicContact CB-CB 4.28Å; N234-L260 HydrophobicContact CB-CD2 4.07Å; N234-L260 VanDerWaalsContact O-CB 3.32Å; N234-L260 WeakPolarHBondContact O-CB 3.35Å; N234-L260 PolarHBondContact O-N 3.03Å; L236-L260 HydrophobicContact CD1-CB 4.07Å; L236-L260 HydrophobicContact CD1-CD1 4.04Å; L236-L260 HydrophobicContact CD1-CG 4.47Å; L236-L260 HydrophobicContact CG-CB 4.29Å; L260-D263 HydrophobicContact CD1-CB 4.18Å; L260-D263 HydrophobicContact CD2-CB 4.04Å; L260-D263 HydrophobicContact CG-CB 4.45Å; L260-W269 HydrophobicContact CD1-CB 3.99Å; L260-W269 HydrophobicContact CD1-CD2 4.27Å; L260-W269 HydrophobicContact CD1-CE3 4.27Å; L260-W269 HydrophobicContact CD1-CG 4.19Å
261A93.1Very high93.9Very high48 Ų4869.4 Ų69.440%0.39735%0.35SS..EExtended strand (participates in β ladder)trans-107.1-37.9178.900000112L259 K270 V272L259-A261 PolarHBondContact O-N 2.92Å; A261-K270 HydrophobicContact CB-CB 4.49Å; A261-K270 HydrophobicContact CB-CG 4.48Å; A261-K270 WeakPolarHBondContact CB-O 3.41Å; A261-K270 PolarHBondContact N-O 2.94Å; A261-V272 HydrophobicContact CB-CG2 4.32Å
262D91Very high93.9Very high57 Ų5766.1 Ų66.131%0.30534%0.339SS..EExtended strand (participates in β ladder)trans-152124.6179.2-171.7-1.2000110.7S264 W269 K270D262-S264 WeakPolarHBondContact OD1-CB 3.17Å; D262-S264 PolarHBondContact OD1-N 2.78Å; D262-S264 PolarHBondContact OD1-OG 2.85Å; D262-W269 WeakPolarHBondContact O-CA 3.36Å; D262-K270 HydrophobicContact CB-CB 3.74Å; D262-K270 PolarHBondContact N-O 2.84Å; D262-K270 PolarHBondContact O-N 3.39Å
263D91.2Very high93.9Very high95 Ų9566.3 Ų66.351%0.50834%0.339SS..  trans-115.617176.465.3-23.9000113.4L260 N265 W269L260-D263 HydrophobicContact CD1-CB 4.18Å; L260-D263 HydrophobicContact CD2-CB 4.04Å; L260-D263 HydrophobicContact CG-CB 4.45Å; D263-N265 PolarHBondContact O-N 2.81Å; D263-W269 HydrophobicContact CB-CG 4.47Å
264S90.7Very high93.7Very high106 Ų10666 Ų6674%0.74135%0.345SS*.SBendtrans-56.7-20.9-178.3-61.70000114.1D262D262-S264 WeakPolarHBondContact OD1-CB 3.17Å; D262-S264 PolarHBondContact OD1-N 2.78Å; D262-S264 PolarHBondContact OD1-OG 2.85Å
265N91.3Very high93.4Very high79 Ų7971.3 Ų71.342%0.42237%0.37SS..SBendtrans-113.4137.4177.1-178.5-13.6000110.7D263 D267 W268 W269D263-N265 PolarHBondContact O-N 2.81Å; N265-D267 VanDerWaalsContact C-N 3.35Å; N265-D267 PolarHBondContact O-N 2.87Å; N265-D267 PolarHBondContact OD1-N 2.88Å; N265-W268 WeakPolarHBondContact CB-O 3.42Å; N265-W269 PolarHBondContact O-NE1 2.84Å
266N90.5Very high93.4Very high144 Ų14475.1 Ų75.177%0.7738%0.38SS*.SBendtrans-73.2-23.5-178.6-66.4-67.6000114.2A282N266-A282 WeakPolarHBondContact O-CB 3.08Å
267D93.6Very high93.3Very high115 Ų11577.7 Ų77.762%0.61539%0.393SS*.SBendtrans-99.9-32.7-174.5-67.1-40.1000112.5N265 P281 A282N265-D267 VanDerWaalsContact C-N 3.35Å; N265-D267 PolarHBondContact O-N 2.87Å; N265-D267 PolarHBondContact OD1-N 2.88Å; D267-P281 CarbonylContact O-C 3.51Å; D267-P281 WeakPolarHBondContact O-CA 3.14Å; D267-A282 PolarHBondContact O-N 2.86Å
268W94.7Very high93.4Very high99 Ų9971 Ų7138%0.37537%0.369SS..EExtended strand (participates in β ladder)trans-131.5120.7-175.1-71.882.2000110.7F242 N265 F280 P281F242-W268 HydrophobicContact CZ-CH2 4.07Å; F242-W268 HydrophobicContact CZ-CZ3 4Å; N265-W268 WeakPolarHBondContact CB-O 3.42Å; W268-F280 CarbonylContact C-O 3.56Å; W268-F280 WeakPolarHBondContact CA-O 3.43Å; W268-P281 HydrophobicContact CH2-CG 4.43Å; W268-P281 HydrophobicContact CZ3-CG 4.46Å
269W95.4Very high93.4Very high51 Ų5175.1 Ų75.119%0.19339%0.385CS..EExtended strand (participates in β ladder)trans-107.1151176.8-67.8-16.7000110.7L236 L260 D262 D263 N265 Y279 F280 A282L236-W269 HydrophobicContact CD1-CE3 3.82Å; L236-W269 HydrophobicContact CD1-CZ3 4.01Å; L236-W269 HydrophobicContact CD2-CZ3 4.41Å; L260-W269 HydrophobicContact CD1-CB 3.99Å; L260-W269 HydrophobicContact CD1-CD2 4.27Å; L260-W269 HydrophobicContact CD1-CE3 4.27Å; L260-W269 HydrophobicContact CD1-CG 4.19Å; D262-W269 WeakPolarHBondContact O-CA 3.36Å; D263-W269 HydrophobicContact CB-CG 4.47Å; N265-W269 PolarHBondContact O-NE1 2.84Å; W269-Y279 CarbonylContact O-C 3.57Å; W269-Y279 VanDerWaalsContact O-CA 3.26Å; W269-Y279 WeakPolarHBondContact O-CA 3.3Å; W269-F280 HydrophobicContact CB-CE1 4.07Å; W269-F280 HydrophobicContact CB-CE2 4.02Å; W269-F280 HydrophobicContact CB-CZ 3.71Å; W269-F280 HydrophobicContact CE3-CE2 4.11Å; W269-F280 HydrophobicContact CE3-CZ 4.24Å; W269-F280 PolarHBondContact N-O 2.97Å; W269-F280 VanDerWaalsContact O-CD1 3.31Å; W269-F280 WeakPolarHBondContact O-CD1 3.29Å; W269-F280 PolarHBondContact O-N 2.82Å; W269-A282 HydrophobicContact CD2-CB 3.49Å; W269-A282 VanDerWaalsContact CD2-CB 3.49Å; W269-A282 VanDerWaalsContact CE2-CB 3.42Å; W269-A282 HydrophobicContact CE3-CB 3.93Å; W269-A282 HydrophobicContact CG-CB 3.9Å; W269-A282 HydrophobicContact CH2-CB 4.21Å; W269-A282 HydrophobicContact CZ2-CB 3.8Å; W269-A282 HydrophobicContact CZ3-CB 4.26Å
270K94.8Very high93.4Very high62 Ų6271.5 Ų71.527%0.2737%0.366SS..EExtended strand (participates in β ladder)trans-97.7132169.6-162.3179-179.61760108.7A261 D262 I277 G278 Y279A261-K270 HydrophobicContact CB-CB 4.49Å; A261-K270 HydrophobicContact CB-CG 4.48Å; A261-K270 WeakPolarHBondContact CB-O 3.41Å; A261-K270 PolarHBondContact N-O 2.94Å; D262-K270 HydrophobicContact CB-CB 3.74Å; D262-K270 PolarHBondContact N-O 2.84Å; D262-K270 PolarHBondContact O-N 3.39Å; K270-I277 HydrophobicContact CD-CG2 4.43Å; K270-I277 HydrophobicContact CG-CG2 4.23Å; K270-G278 WeakPolarHBondContact CA-O 3.41Å; K270-Y279 HydrophobicContact CB-CD1 4.06Å; K270-Y279 HydrophobicContact CB-CE1 3.86Å; K270-Y279 HydrophobicContact CD-CE1 4.28Å; K270-Y279 HydrophobicContact CD-CE2 4.44Å; K270-Y279 HydrophobicContact CG-CD1 4.44Å; K270-Y279 HydrophobicContact CG-CE1 4.2Å
271G95.3Very high93.5Very high0 Ų071.3 Ų71.30%037%0.366CS..EExtended strand (participates in β ladder)trans-144.7175175.900000112.8L250 L259 I277 G278L250-G271 WeakPolarHBondContact CD2-O 3.35Å; L259-G271 CarbonylContact O-C 3.55Å; L259-G271 WeakPolarHBondContact O-CA 3.41Å; G271-I277 WeakPolarHBondContact O-CA 3.21Å; G271-G278 PolarHBondContact N-O 3.12Å; G271-G278 PolarHBondContact O-N 2.75Å
272V95Very high93.5Very high33 Ų3369.5 Ų69.520%0.235%0.351CS..EExtended strand (participates in β ladder)trans-122.1124-180-170.60000108.6L259 A261 R276 I277L259-V272 HydrophobicContact CB-CB 4.32Å; L259-V272 PolarHBondContact N-O 3.4Å; L259-V272 PolarHBondContact O-N 3.13Å; A261-V272 HydrophobicContact CB-CG2 4.32Å; V272-R276 VanDerWaalsContact CA-O 3.32Å; V272-R276 WeakPolarHBondContact CA-O 3.5Å; V272-I277 HydrophobicContact CB-CG1 4.39Å; V272-I277 HydrophobicContact CG1-CG1 4.01Å; V272-I277 HydrophobicContact CG2-CD1 4.15Å; V272-I277 HydrophobicContact CG2-CG1 3.84Å; V272-I277 HydrophobicContact CG2-CG2 4.34Å
273I95.3Very high93.6Very high6 Ų670.6 Ų70.63%0.03137%0.368CS..EExtended strand (participates in β ladder)trans-116.4115.2168.4-63.5167.2000106.3L250 M252 D256 I258 D275 R276L250-I273 HydrophobicContact CD1-CB 4.38Å; L250-I273 HydrophobicContact CD1-CD1 4.27Å; L250-I273 HydrophobicContact CD1-CG1 4.42Å; L250-I273 HydrophobicContact CD2-CD1 3.8Å; L250-I273 HydrophobicContact CD2-CG1 3.9Å; L250-I273 HydrophobicContact CG-CD1 3.84Å; L250-I273 HydrophobicContact CG-CG1 4.3Å; M252-I273 HydrophobicContact CB-CD1 3.57Å; D256-I273 HydrophobicContact CB-CD1 4.33Å; I258-I273 HydrophobicContact CB-CG1 4.23Å; I258-I273 HydrophobicContact CG1-CD1 3.81Å; I258-I273 HydrophobicContact CG1-CG1 3.66Å; I258-I273 HydrophobicContact CG2-CG1 4.29Å; I273-D275 PolarHBondContact O-N 2.89Å; I273-R276 PolarHBondContact N-O 3.4Å; I273-R276 PolarHBondContact O-N 3.28Å
274E90.1Very high93.8Very high165 Ų16569.3 Ų69.377%0.77136%0.358SS*.THydrogen-bonded Turntrans55.9-106-175.2-57.6172.3146.100111.1
275D90.1Very high93.9Very high137 Ų13764.8 Ų64.873%0.73333%0.327SS*.THydrogen-bonded Turntrans-106.7-2.9178.964.4-26.2000113.5I273I273-D275 PolarHBondContact O-N 2.89Å
276R93.4Very high94.1Very high94 Ų9462.4 Ų62.436%0.35531%0.313SS..EExtended strand (participates in β ladder)trans-97.8131.1-176-65.6177.3-70138.23110.8L250 K251 V272 I273L250-R276 HydrophobicContact CD1-CB 3.89Å; L250-R276 WeakPolarHBondContact CD1-O 3.33Å; K251-R276 PolarHBondContact O-NH1 3Å; V272-R276 VanDerWaalsContact CA-O 3.32Å; V272-R276 WeakPolarHBondContact CA-O 3.5Å; I273-R276 PolarHBondContact N-O 3.4Å; I273-R276 PolarHBondContact O-N 3.28Å
277I94.7Very high94.2Very high98 Ų9859.9 Ų59.950%0.50330%0.297SS..EExtended strand (participates in β ladder)trans-119.1134.2177.7-51.3-175.9000108.7K270 G271 V272K270-I277 HydrophobicContact CD-CG2 4.43Å; K270-I277 HydrophobicContact CG-CG2 4.23Å; G271-I277 WeakPolarHBondContact O-CA 3.21Å; V272-I277 HydrophobicContact CB-CG1 4.39Å; V272-I277 HydrophobicContact CG1-CG1 4.01Å; V272-I277 HydrophobicContact CG2-CD1 4.15Å; V272-I277 HydrophobicContact CG2-CG1 3.84Å; V272-I277 HydrophobicContact CG2-CG2 4.34Å
278G95.4Very high94.1Very high3 Ų355.5 Ų55.53%0.03127%0.273CS..EExtended strand (participates in β ladder)trans-177.5-173.3175.900000112.7H248 K270 G271H248-G278 CarbonylContact O-C 3.59Å; H248-G278 WeakPolarHBondContact O-CA 3.08Å; K270-G278 WeakPolarHBondContact CA-O 3.41Å; G271-G278 PolarHBondContact N-O 3.12Å; G271-G278 PolarHBondContact O-N 2.75Å
279Y95.9Very high93.9Very high85 Ų8557.6 Ų57.633%0.33329%0.287SS..EExtended strand (participates in β ladder)trans-97.4146.2-178.4-66.5-87.5000112.1H248 D249 L250 W269 K270H248-Y279 HydrophobicContact CB-CD2 4.24Å; H248-Y279 AromaticContact CD2-CD2 3.65Å; H248-Y279 PolarHBondContact O-N 2.78Å; D249-Y279 CarbonylContact C-O 3.45Å; D249-Y279 WeakPolarHBondContact CA-O 3.49Å; L250-Y279 PolarHBondContact N-O 2.84Å; W269-Y279 CarbonylContact O-C 3.57Å; W269-Y279 VanDerWaalsContact O-CA 3.26Å; W269-Y279 WeakPolarHBondContact O-CA 3.3Å; K270-Y279 HydrophobicContact CB-CD1 4.06Å; K270-Y279 HydrophobicContact CB-CE1 3.86Å; K270-Y279 HydrophobicContact CD-CE1 4.28Å; K270-Y279 HydrophobicContact CD-CE2 4.44Å; K270-Y279 HydrophobicContact CG-CD1 4.44Å; K270-Y279 HydrophobicContact CG-CE1 4.2Å
280F96.3Very high93.4Very high0 Ų063.6 Ų63.60%032%0.317CS..EExtended strand (participates in β ladder)trans-149.5157.917664-89.5000111.4L236 F242 L250 M252 I258 W268 W269 A282 A285L236-F280 HydrophobicContact CD1-CE2 4.4Å; L236-F280 HydrophobicContact CD1-CZ 3.86Å; F242-F280 HydrophobicContact CD1-CB 4.3Å; F242-F280 HydrophobicContact CE1-CB 4.42Å; L250-F280 HydrophobicContact CB-CD1 4.43Å; L250-F280 HydrophobicContact CD2-CD1 3.81Å; L250-F280 HydrophobicContact CD2-CE1 4.25Å; M252-F280 HydrophobicContact CE-CB 3.23Å; M252-F280 HydrophobicContact CE-CD1 3.76Å; M252-F280 HydrophobicContact CE-CD2 3.51Å; M252-F280 HydrophobicContact CE-CE1 4.48Å; M252-F280 HydrophobicContact CE-CE2 4.28Å; M252-F280 HydrophobicContact CE-CG 3.2Å; M252-F280 HydrophobicContact SD-CB 4.43Å; M252-F280 HydrophobicContact SD-CD2 4.48Å; I258-F280 HydrophobicContact CD1-CE2 4.33Å; I258-F280 HydrophobicContact CD1-CZ 4.26Å; I258-F280 HydrophobicContact CG2-CE1 3.81Å; I258-F280 HydrophobicContact CG2-CZ 4.01Å; W268-F280 CarbonylContact C-O 3.56Å; W268-F280 WeakPolarHBondContact CA-O 3.43Å; W269-F280 HydrophobicContact CB-CE1 4.07Å; W269-F280 HydrophobicContact CB-CE2 4.02Å; W269-F280 HydrophobicContact CB-CZ 3.71Å; W269-F280 HydrophobicContact CE3-CE2 4.11Å; W269-F280 HydrophobicContact CE3-CZ 4.24Å; W269-F280 PolarHBondContact N-O 2.97Å; W269-F280 VanDerWaalsContact O-CD1 3.31Å; W269-F280 WeakPolarHBondContact O-CD1 3.29Å; W269-F280 PolarHBondContact O-N 2.82Å; F280-A282 PolarHBondContact O-N 2.99Å; F280-A285 HydrophobicContact CD2-CB 4.41Å; F280-A285 HydrophobicContact CE2-CB 3.61Å; F280-A285 HydrophobicContact CZ-CB 4.39Å
281P95.3Very high93Very high21 Ų2163.9 Ų63.914%0.13634%0.338CS..EExtended strand (participates in β ladder)trans-65.5125.4177.9-2133000111.9F242 D267 W268 A283 F284F242-P281 HydrophobicContact CD2-CG 4.17Å; F242-P281 HydrophobicContact CE2-CG 4Å; F242-P281 HydrophobicContact CZ-CG 4.41Å; D267-P281 CarbonylContact O-C 3.51Å; D267-P281 WeakPolarHBondContact O-CA 3.14Å; W268-P281 HydrophobicContact CH2-CG 4.43Å; W268-P281 HydrophobicContact CZ3-CG 4.46Å; P281-A283 PolarHBondContact O-N 2.79Å; P281-A283 VanDerWaalsContact O-N 3.12Å; P281-F284 HydrophobicContact CB-CB 4.49Å; P281-F284 HydrophobicContact CB-CD1 3.94Å; P281-F284 HydrophobicContact CB-CE1 4.47Å; P281-F284 HydrophobicContact CB-CG 4.25Å; P281-F284 HydrophobicContact CG-CD1 4.44Å; P281-F284 WeakPolarHBondContact O-CB 3.44Å; P281-F284 PolarHBondContact O-N 2.91Å
282A93.7Very high92.9Very high10 Ų1065.4 Ų65.48%0.08335%0.346CS..G310 helixtrans-55.2-35.1179.600000112.6N266 D267 W269 F280 F284 A285N266-A282 WeakPolarHBondContact O-CB 3.08Å; D267-A282 PolarHBondContact O-N 2.86Å; W269-A282 HydrophobicContact CD2-CB 3.49Å; W269-A282 VanDerWaalsContact CD2-CB 3.49Å; W269-A282 VanDerWaalsContact CE2-CB 3.42Å; W269-A282 HydrophobicContact CE3-CB 3.93Å; W269-A282 HydrophobicContact CG-CB 3.9Å; W269-A282 HydrophobicContact CH2-CB 4.21Å; W269-A282 HydrophobicContact CZ2-CB 3.8Å; W269-A282 HydrophobicContact CZ3-CB 4.26Å; F280-A282 PolarHBondContact O-N 2.99Å; A282-F284 PolarHBondContact O-N 3.05Å; A282-F284 VanDerWaalsContact O-N 3.14Å; A282-A285 PolarHBondContact O-N 3.17Å
283A93.7Very high92.8Very high80 Ų8068 Ų6866%0.66136%0.356SS*.G310 helixtrans-65.2-15178.600000114.6P281P281-A283 PolarHBondContact O-N 2.79Å; P281-A283 VanDerWaalsContact O-N 3.12Å
284F94.9Very high92.8Very high67 Ų6768 Ų6829%0.29436%0.356SS..G310 helixtrans-92.2-6.8-178.3-79.541.5000112.4L239 Y240 F242 M252 P281 A282L239-F284 WeakPolarHBondContact CB-O 3.31Å; L239-F284 PolarHBondContact N-O 3.02Å; Y240-F284 HydrophobicContact CD2-CB 4.42Å; Y240-F284 HydrophobicContact CD2-CD1 4.29Å; Y240-F284 HydrophobicContact CD2-CD2 4.27Å; Y240-F284 HydrophobicContact CD2-CG 4.07Å; Y240-F284 HydrophobicContact CG-CD2 4.44Å; F242-F284 HydrophobicContact CB-CD2 4.03Å; F242-F284 HydrophobicContact CB-CE2 4.39Å; M252-F284 HydrophobicContact SD-CB 4.49Å; P281-F284 HydrophobicContact CB-CB 4.49Å; P281-F284 HydrophobicContact CB-CD1 3.94Å; P281-F284 HydrophobicContact CB-CE1 4.47Å; P281-F284 HydrophobicContact CB-CG 4.25Å; P281-F284 HydrophobicContact CG-CD1 4.44Å; P281-F284 WeakPolarHBondContact O-CB 3.44Å; P281-F284 PolarHBondContact O-N 2.91Å; A282-F284 PolarHBondContact O-N 3.05Å; A282-F284 VanDerWaalsContact O-N 3.14Å
285A93.7Very high93.1Very high11 Ų1160.7 Ų60.79%0.09132%0.322CS..EExtended strand (participates in β ladder)trans-112.4158.3176.900000111.7L236 V237 I258 F280 A282L236-A285 HydrophobicContact CB-CB 4.16Å; L236-A285 HydrophobicContact CD1-CB 4.08Å; V237-A285 CarbonylContact O-C 3.58Å; V237-A285 VanDerWaalsContact O-CA 3.29Å; V237-A285 WeakPolarHBondContact O-CA 3.46Å; I258-A285 HydrophobicContact CD1-CB 4.29Å; F280-A285 HydrophobicContact CD2-CB 4.41Å; F280-A285 HydrophobicContact CE2-CB 3.61Å; F280-A285 HydrophobicContact CZ-CB 4.39Å; A282-A285 PolarHBondContact O-N 3.17Å
286H93.9Very high93.4Very high30 Ų3058.5 Ų58.514%0.13930%0.304CS..EExtended strand (participates in β ladder)trans-126.1133.9169.4-164.273.5000109.5L236 V237 L239 G334L236-H286 CarbonylContact C-O 3.6Å; L236-H286 WeakPolarHBondContact CA-O 3.43Å; L236-H286 WeakPolarHBondContact CB-O 3.38Å; V237-H286 HydrophobicContact CG1-CB 3.96Å; V237-H286 PolarHBondContact N-O 2.89Å; V237-H286 PolarHBondContact O-N 3.02Å; L239-H286 HydrophobicContact CD1-CB 4.08Å; L239-H286 HydrophobicContact CD2-CB 3.84Å; L239-H286 HydrophobicContact CG-CB 3.98Å; H286-G334 PolarHBondContact CE1-O 3.41Å; H286-G334 PolarHBondContact ND1-O 2.85Å
287E92.8Very high93.5Very high91 Ų9154 Ų5443%0.42529%0.287SS..EExtended strand (participates in β ladder)trans-75132.8177-171.4174-164.500111.1N234 L236N234-E287 PolarHBondContact ND2-OE1 3.06Å; L236-E287 VanDerWaalsContact CD2-CA 3.43Å; L236-E287 HydrophobicContact CD2-CB 3.63Å; L236-E287 HydrophobicContact CD2-CG 3.84Å
288L92.3Very high93.5Very high22 Ų2252.7 Ų52.712%0.11528%0.281CS..PPolyproline II helixtrans-99.2133.9177.6-58.6-179.2000109.7T235 V237 D292 V294 V319T235-L288 HydrophobicContact CG2-CD1 4.12Å; T235-L288 WeakPolarHBondContact O-CB 3.42Å; T235-L288 PolarHBondContact O-N 3.07Å; V237-L288 HydrophobicContact CB-CD1 4.28Å; V237-L288 HydrophobicContact CB-CD2 4.34Å; V237-L288 HydrophobicContact CB-CG 4.43Å; V237-L288 HydrophobicContact CG1-CD2 3.84Å; V237-L288 HydrophobicContact CG1-CG 4.36Å; L288-D292 HydrophobicContact CD2-CB 4.36Å; L288-V294 HydrophobicContact CD1-CG2 3.88Å; L288-V294 HydrophobicContact CD2-CG2 3.8Å; L288-V319 HydrophobicContact CD2-CB 4.27Å; L288-V319 HydrophobicContact CD2-CG1 3.58Å; L288-V319 HydrophobicContact CD2-CG2 3.64Å
289Q89.8Confident93.5Very high144 Ų14458 Ų5867%0.67330%0.3SS*.PPolyproline II helixtrans-96.5165.2170.9-57.6-166-15.400111.2G291 D292Q289-G291 PolarHBondContact O-N 3.19Å; Q289-G291 VanDerWaalsContact O-N 3.15Å; Q289-D292 PolarHBondContact N-OD2 2.94Å; Q289-D292 WeakPolarHBondContact O-CB 3.35Å; Q289-D292 PolarHBondContact O-N 2.79Å
290E86.3Confident93.5Very high176 Ų17657.7 Ų57.782%0.82231%0.307SS*.THydrogen-bonded Turntrans-60117.8174.5-73171.8-150.400110.2
291G86.4Confident93.4Very high69 Ų6959.4 Ų59.471%0.71131%0.314SS*.THydrogen-bonded Turntrans96.6-1.4-177.900000115.1Q289Q289-G291 PolarHBondContact O-N 3.19Å; Q289-G291 VanDerWaalsContact O-N 3.15Å
292D92Very high93.4Very high31 Ų3164.9 Ų64.917%0.16634%0.341CS..PPolyproline II helixtrans-71.3134.4175.4-77.9-7.4000112L288 Q289 V319 S320 S321L288-D292 HydrophobicContact CD2-CB 4.36Å; Q289-D292 PolarHBondContact N-OD2 2.94Å; Q289-D292 WeakPolarHBondContact O-CB 3.35Å; Q289-D292 PolarHBondContact O-N 2.79Å; D292-V319 HydrophobicContact CB-CG1 3.65Å; D292-S320 CarbonylContact C-O 3.49Å; D292-S320 WeakPolarHBondContact CA-O 3.16Å; D292-S321 WeakPolarHBondContact OD1-CA 3.43Å; D292-S321 WeakPolarHBondContact OD1-CB 3.31Å
293Q93.5Very high93.3Very high88 Ų8864.8 Ų64.841%0.41134%0.341SS..EExtended strand (participates in β ladder)trans-103.6133.4173.3-68.4-170.2-57.700110.7F295 V319 S320Q293-F295 HydrophobicContact CB-CD2 4.36Å; Q293-F295 HydrophobicContact CB-CE2 3.45Å; Q293-F295 VanDerWaalsContact CB-CE2 3.45Å; Q293-F295 HydrophobicContact CB-CZ 3.73Å; Q293-F295 WeakPolarHBondContact O-CD2 3.01Å; Q293-F295 WeakPolarHBondContact O-CE2 3.29Å; Q293-V319 CarbonylContact O-C 3.54Å; Q293-V319 WeakPolarHBondContact O-CA 3.36Å; Q293-S320 PolarHBondContact N-O 3.12Å; Q293-S320 PolarHBondContact O-N 2.92Å
294V94.9Very high93.2Very high5 Ų563.3 Ų63.33%0.0333%0.325CS..EExtended strand (participates in β ladder)trans-96.6132.9177.2-174.90000109V237 L288 I317 V319 I348V237-V294 HydrophobicContact CB-CG2 4.42Å; V237-V294 HydrophobicContact CG1-CG2 4.47Å; V237-V294 HydrophobicContact CG2-CG1 3.84Å; V237-V294 HydrophobicContact CG2-CG2 4.46Å; L288-V294 HydrophobicContact CD1-CG2 3.88Å; L288-V294 HydrophobicContact CD2-CG2 3.8Å; V294-I317 HydrophobicContact CG1-CG2 3.66Å; V294-V319 HydrophobicContact CG2-CG2 4.39Å; V294-I348 HydrophobicContact CB-CG1 4.16Å; V294-I348 HydrophobicContact CG1-CD1 3.76Å; V294-I348 HydrophobicContact CG1-CG1 3.63Å; V294-I348 PolarHBondContact O-N 3.23Å; V294-I348 VanDerWaalsContact O-N 3.16Å
295F95.8Very high93Very high13 Ų1368.8 Ų68.86%0.05735%0.349CS..EExtended strand (participates in β ladder)trans-125.4144.8179-58.8-94.6000110.8Q293 I317 C318 I329 L345 E346 I347Q293-F295 HydrophobicContact CB-CD2 4.36Å; Q293-F295 HydrophobicContact CB-CE2 3.45Å; Q293-F295 VanDerWaalsContact CB-CE2 3.45Å; Q293-F295 HydrophobicContact CB-CZ 3.73Å; Q293-F295 WeakPolarHBondContact O-CD2 3.01Å; Q293-F295 WeakPolarHBondContact O-CE2 3.29Å; F295-I317 CarbonylContact O-C 3.53Å; F295-I317 WeakPolarHBondContact O-CA 3.47Å; F295-C318 PolarHBondContact N-O 3.23Å; F295-C318 PolarHBondContact O-N 3.14Å; F295-I329 HydrophobicContact CE1-CD1 4.49Å; F295-I329 HydrophobicContact CE2-CD1 3.9Å; F295-I329 HydrophobicContact CZ-CD1 3.67Å; F295-L345 HydrophobicContact CB-CB 4.19Å; F295-L345 HydrophobicContact CB-CD1 4.49Å; F295-L345 HydrophobicContact CB-CD2 4.19Å; F295-L345 HydrophobicContact CD1-CB 3.92Å; F295-L345 HydrophobicContact CD1-CD1 4.47Å; F295-L345 HydrophobicContact CG-CB 4.32Å; F295-L345 HydrophobicContact CG-CD1 4.4Å; F295-E346 CarbonylContact C-O 3.38Å; F295-E346 WeakPolarHBondContact CA-O 3.46Å; F295-I347 HydrophobicContact CD1-CG1 3.64Å; F295-I347 HydrophobicContact CE1-CD1 4.04Å; F295-I347 HydrophobicContact CE1-CG1 3.31Å; F295-I347 HydrophobicContact CZ-CG1 4.15Å
296R96Very high92.8Very high90 Ų9077.4 Ų77.434%0.3439%0.387SS..EExtended strand (participates in β ladder)trans-105133.8165.5-177.7175.9-69.8141.7-0.5109.2A254 N298 I317 E346 I348A254-R296 PolarHBondContact O-NH2 2.85Å; R296-N298 PolarHBondContact O-N 3.49Å; R296-I317 HydrophobicContact CB-CD1 3.98Å; R296-I317 HydrophobicContact CG-CD1 4.01Å; R296-E346 PolarHBondContact N-O 3.4Å; R296-E346 PolarHBondContact O-N 3.31Å; R296-I348 HydrophobicContact CB-CD1 4.35Å; R296-I348 HydrophobicContact CB-CG2 3.71Å
297C95.8Very high92.6Very high1 Ų182.2 Ų82.21%0.00741%0.41CS..EExtended strand (participates in β ladder)trans-75.7116.1176.1-1630000109.8R299 L312 K313 G315 Q316 V344 L345C297-R299 PolarHBondContact SG-O 3.28Å; C297-L312 HydrophobicContact CB-CB 4.33Å; C297-K313 VanDerWaalsContact CB-O 3.28Å; C297-K313 WeakPolarHBondContact CB-O 3.34Å; C297-G315 PolarHBondContact O-N 2.86Å; C297-Q316 WeakPolarHBondContact CB-O 3.36Å; C297-Q316 PolarHBondContact N-O 2.86Å; C297-V344 CarbonylContact C-O 3.59Å; C297-V344 WeakPolarHBondContact CA-O 3.15Å; C297-L345 HydrophobicContact CB-CD2 4.47Å
298N95.9Very high92.5Very high69 Ų6979.5 Ų79.537%0.36941%0.406SS..SBendtrans-80.5-17.3-177.669.112000113.4R296 D343 V344R296-N298 PolarHBondContact O-N 3.49Å; N298-D343 PolarHBondContact ND2-O 3.46Å; N298-V344 PolarHBondContact N-O 3.16Å; N298-V344 VanDerWaalsContact OD1-C 3.27Å; N298-V344 VanDerWaalsContact OD1-CA 3.25Å; N298-V344 WeakPolarHBondContact OD1-CA 3.4Å; N298-V344 PolarHBondContact OD1-O 3.23Å
299R94.9Very high92.6Very high116 Ų11680.3 Ų80.344%0.43841%0.409SS..SBendtrans-155.4151.4178.668.8-162.9172.4155.38.9110.9C297 F301 D343 V344C297-R299 PolarHBondContact SG-O 3.28Å; R299-F301 PolarHBondContact O-N 2.86Å; R299-D343 IonicContact CZ-OD2 2.64Å; R299-D343 IonicContact NH2-OD1 3.39Å; R299-D343 PolarHBondContact NH2-OD1 3.05Å; R299-D343 IonicContact NH2-OD2 3.88Å; R299-D343 PolarHBondContact NH2-OD2 3.25Å; R299-V344 HydrophobicContact CG-CB 4.02Å; R299-V344 HydrophobicContact CG-CG1 3.77Å
300T95.3Very high92.8Very high78 Ų7874.3 Ų74.348%0.47938%0.382SS..  trans-66.2123.5-178.3-62.10000111.8I302 L312 E314T300-I302 HydrophobicContact CG2-CG1 4.45Å; T300-L312 CarbonylContact C-O 3.55Å; T300-L312 WeakPolarHBondContact CA-O 3.48Å; T300-E314 PolarHBondContact OG1-N 2.69Å
301F94.5Very high93.2Very high35 Ų3568.9 Ų68.915%0.15436%0.361CS..BIsolated β-bridgetrans-114.9128.9175173-109000111.1R299 G303 Q309 L310 T311 L312 V340 P341 V344R299-F301 PolarHBondContact O-N 2.86Å; F301-G303 VanDerWaalsContact CE1-CA 3.44Å; F301-Q309 HydrophobicContact CE1-CB 4.4Å; F301-L310 WeakPolarHBondContact CD1-O 3.42Å; F301-L310 VanDerWaalsContact CE1-O 3.27Å; F301-L310 WeakPolarHBondContact CE1-O 3.42Å; F301-T311 CarbonylContact O-C 3.59Å; F301-T311 VanDerWaalsContact O-CA 3.32Å; F301-T311 WeakPolarHBondContact O-CA 3.31Å; F301-T311 WeakPolarHBondContact O-CG2 3.45Å; F301-L312 PolarHBondContact N-O 3.45Å; F301-L312 PolarHBondContact O-N 2.87Å; F301-L312 VanDerWaalsContact O-O 3.06Å; F301-V340 HydrophobicContact CD1-CG1 3.99Å; F301-V340 HydrophobicContact CD1-CG2 4.36Å; F301-P341 HydrophobicContact CD2-CG 3.95Å; F301-P341 VanDerWaalsContact CE1-CD 3.49Å; F301-P341 HydrophobicContact CE1-CG 4.36Å; F301-P341 HydrophobicContact CE2-CG 3.65Å; F301-P341 HydrophobicContact CG-CG 4.44Å; F301-P341 VanDerWaalsContact CZ-CD 3.48Å; F301-P341 HydrophobicContact CZ-CG 3.88Å; F301-V344 HydrophobicContact CB-CB 4.48Å; F301-V344 HydrophobicContact CB-CG1 4.12Å; F301-V344 HydrophobicContact CB-CG2 4.08Å; F301-V344 HydrophobicContact CG-CG2 4.49Å
302I95.1Very high93.7Very high137 Ų13765.7 Ų65.770%0.70333%0.327SS*.  trans-106.889.8179.5-53.8174.1000109.2T300T300-I302 HydrophobicContact CG2-CG1 4.45Å
303G91.9Very high93.8Very high8 Ų870.7 Ų70.78%0.08235%0.348CS..  trans-73.5145.7177.700000114.5F301 T311F301-G303 VanDerWaalsContact CE1-CA 3.44Å; G303-T311 PolarHBondContact N-OG1 3.43Å; G303-T311 PolarHBondContact O-OG1 3.06Å
304C91.3Very high93.9Very high48 Ų4872.9 Ų72.932%0.32436%0.358SS..  trans-79.8113.4170.7-175.40000112.3E306 Q307 G308 Q309C304-E306 VanDerWaalsContact C-N 3.31Å; C304-E306 PolarHBondContact O-N 2.95Å; C304-Q307 HydrophobicContact CB-CB 4.27Å; C304-Q307 HydrophobicContact CB-CG 4.26Å; C304-Q307 PolarHBondContact O-N 3.41Å; C304-Q307 VanDerWaalsContact O-N 3.13Å; C304-G308 PolarHBondContact O-N 2.89Å; C304-Q309 WeakPolarHBondContact O-CB 3.15Å; C304-Q309 PolarHBondContact O-N 2.82Å
305K90.6Very high93.8Very high182 Ų18274.4 Ų74.479%0.79138%0.375SS*.G310 helixtrans-61.4-33.3-179.9-68.7-175.4-179.3178.30114.1Q307 G308K305-Q307 PolarHBondContact O-N 3.04Å; K305-G308 PolarHBondContact O-N 3.2Å
306E90.9Very high93.8Very high192 Ų19275.8 Ų75.890%0.89738%0.381SS*.G310 helixtrans-65.5-27.5178.6-64.3179.5179.300112C304 G308C304-E306 VanDerWaalsContact C-N 3.31Å; C304-E306 PolarHBondContact O-N 2.95Å; E306-G308 VanDerWaalsContact C-N 3.33Å
307Q88.4Confident93.8Very high131 Ų13171.5 Ų71.561%0.61237%0.365SS*.G310 helixtrans-938175.2-60.7178.67.500112.3C304 K305 Q309C304-Q307 HydrophobicContact CB-CB 4.27Å; C304-Q307 HydrophobicContact CB-CG 4.26Å; C304-Q307 PolarHBondContact O-N 3.41Å; C304-Q307 VanDerWaalsContact O-N 3.13Å; K305-Q307 PolarHBondContact O-N 3.04Å; Q307-Q309 VanDerWaalsContact C-N 3.26Å; Q307-Q309 HydrophobicContact CB-CG 4.39Å; Q307-Q309 PolarHBondContact O-N 2.88Å
308G91.6Very high93.8Very high34 Ų3471.4 Ų71.435%0.35137%0.365SS..THydrogen-bonded Turntrans7115.4-177.200000114.5C304 K305 E306 G338 Y339C304-G308 PolarHBondContact O-N 2.89Å; K305-G308 PolarHBondContact O-N 3.2Å; E306-G308 VanDerWaalsContact C-N 3.33Å; G308-G338 CarbonylContact O-C 3.49Å; G308-G338 WeakPolarHBondContact O-CA 3.32Å; G308-Y339 PolarHBondContact O-N 2.59Å
309Q94.3Very high93.7Very high39 Ų3968.3 Ų68.318%0.18235%0.348CS..BIsolated β-bridgetrans-82.9145.4177-63.3172.30.700111.3F301 C304 Q307 Y339F301-Q309 HydrophobicContact CE1-CB 4.4Å; C304-Q309 WeakPolarHBondContact O-CB 3.15Å; C304-Q309 PolarHBondContact O-N 2.82Å; Q307-Q309 VanDerWaalsContact C-N 3.26Å; Q307-Q309 HydrophobicContact CB-CG 4.39Å; Q307-Q309 PolarHBondContact O-N 2.88Å; Q309-Y339 CarbonylContact C-O 3.51Å; Q309-Y339 VanDerWaalsContact CA-O 3.22Å; Q309-Y339 WeakPolarHBondContact CA-O 3.37Å; Q309-Y339 WeakPolarHBondContact CB-O 3.33Å
310L94.6Very high93.7Very high19 Ų1962.9 Ų62.910%0.09933%0.328CS..PPolyproline II helixtrans-99.5135.9179.5-172.264.8000110.5F301 L312 V331 F333 K336 Y339 V340F301-L310 WeakPolarHBondContact CD1-O 3.42Å; F301-L310 VanDerWaalsContact CE1-O 3.27Å; F301-L310 WeakPolarHBondContact CE1-O 3.42Å; L310-L312 HydrophobicContact CD2-CD2 3.87Å; L310-L312 HydrophobicContact CD2-CG 4.24Å; L310-L312 HydrophobicContact CG-CD2 4.23Å; L310-L312 HydrophobicContact CG-CG 4.36Å; L310-V331 HydrophobicContact CD2-CG2 4.08Å; L310-F333 HydrophobicContact CD2-CB 3.91Å; L310-K336 HydrophobicContact CD1-CB 4.07Å; L310-Y339 PolarHBondContact N-O 2.96Å; L310-V340 HydrophobicContact CB-CG2 3.83Å
311T94.4Very high93.5Very high62 Ų6262.5 Ų62.538%0.3833%0.329SS..PPolyproline II helixtrans-83.4122.8169.5-60.80000109.2F301 G303F301-T311 CarbonylContact O-C 3.59Å; F301-T311 VanDerWaalsContact O-CA 3.32Å; F301-T311 WeakPolarHBondContact O-CA 3.31Å; F301-T311 WeakPolarHBondContact O-CG2 3.45Å; G303-T311 PolarHBondContact N-OG1 3.43Å; G303-T311 PolarHBondContact O-OG1 3.06Å
312L95.2Very high93.1Very high1 Ų164.5 Ų64.51%0.00534%0.339CS..BIsolated β-bridgetrans-124.7134.9174.7-68.4-178.7000109.7C297 T300 F301 L310 C318 V331 F333 V340 L345C297-L312 HydrophobicContact CB-CB 4.33Å; T300-L312 CarbonylContact C-O 3.55Å; T300-L312 WeakPolarHBondContact CA-O 3.48Å; F301-L312 PolarHBondContact N-O 3.45Å; F301-L312 PolarHBondContact O-N 2.87Å; F301-L312 VanDerWaalsContact O-O 3.06Å; L310-L312 HydrophobicContact CD2-CD2 3.87Å; L310-L312 HydrophobicContact CD2-CG 4.24Å; L310-L312 HydrophobicContact CG-CD2 4.23Å; L310-L312 HydrophobicContact CG-CG 4.36Å; L312-C318 HydrophobicContact CD1-CB 4.09Å; L312-V331 HydrophobicContact CD1-CG2 4.26Å; L312-F333 HydrophobicContact CD2-CB 4.23Å; L312-F333 HydrophobicContact CD2-CD2 4.2Å; L312-F333 HydrophobicContact CD2-CG 4.27Å; L312-V340 HydrophobicContact CD1-CG1 4.17Å; L312-V340 HydrophobicContact CD1-CG2 3.83Å; L312-V340 HydrophobicContact CG-CG2 4.2Å; L312-L345 HydrophobicContact CD1-CD2 4.23Å
313K94.9Very high92.6Very high137 Ų13760.9 Ų60.960%0.59634%0.335SS*.  trans-84.5156.8170.8-61.3-178.2178.7-177.20110.1C297 Q316C297-K313 VanDerWaalsContact CB-O 3.28Å; C297-K313 WeakPolarHBondContact CB-O 3.34Å; K313-Q316 HydrophobicContact CB-CG 3.97Å; K313-Q316 WeakPolarHBondContact O-CB 3.44Å; K313-Q316 WeakPolarHBondContact O-CG 3.46Å; K313-Q316 PolarHBondContact O-N 3.01Å; K313-Q316 VanDerWaalsContact O-N 3.17Å
314E95.1Very high92.5Very high134 Ų13466.3 Ų66.363%0.62636%0.358SS*.THydrogen-bonded Turntrans-53.1137.3169.7-174.6174.7168.800111.1T300 Q316T300-E314 PolarHBondContact OG1-N 2.69Å; E314-Q316 VanDerWaalsContact C-N 3.27Å; E314-Q316 PolarHBondContact O-N 2.86Å
315G93.5Very high92.2Very high37 Ų3774 Ų7438%0.38138%0.38SS..THydrogen-bonded Turntrans80.2-9.8-17700000115.5C297C297-G315 PolarHBondContact O-N 2.86Å
316Q95.3Very high91.9Very high41 Ų4169 Ų6919%0.19238%0.38CS..  trans-69.6144.1179.3-68.6-164.5-66.300112.2C297 K313 E314 F333C297-Q316 WeakPolarHBondContact CB-O 3.36Å; C297-Q316 PolarHBondContact N-O 2.86Å; K313-Q316 HydrophobicContact CB-CG 3.97Å; K313-Q316 WeakPolarHBondContact O-CB 3.44Å; K313-Q316 WeakPolarHBondContact O-CG 3.46Å; K313-Q316 PolarHBondContact O-N 3.01Å; K313-Q316 VanDerWaalsContact O-N 3.17Å; E314-Q316 VanDerWaalsContact C-N 3.27Å; E314-Q316 PolarHBondContact O-N 2.86Å; Q316-F333 HydrophobicContact CB-CE2 4.24Å; Q316-F333 VanDerWaalsContact NE2-CZ 3.34Å
317I96.3Very high91.8Very high0 Ų061.4 Ų61.40%035%0.353CS..EExtended strand (participates in β ladder)trans-99.3129.1-179.6-50.8-58.1000109.5V237 L239 A254 V294 F295 R296 F333 I348V237-I317 HydrophobicContact CG2-CG2 3.93Å; L239-I317 HydrophobicContact CD2-CB 4.38Å; L239-I317 HydrophobicContact CD2-CG2 4.48Å; L239-I317 WeakPolarHBondContact CD2-O 3.32Å; A254-I317 HydrophobicContact CB-CD1 4.35Å; A254-I317 HydrophobicContact CB-CG1 3.76Å; V294-I317 HydrophobicContact CG1-CG2 3.66Å; F295-I317 CarbonylContact O-C 3.53Å; F295-I317 WeakPolarHBondContact O-CA 3.47Å; R296-I317 HydrophobicContact CB-CD1 3.98Å; R296-I317 HydrophobicContact CG-CD1 4.01Å; I317-F333 WeakPolarHBondContact O-CD2 3.26Å; I317-F333 WeakPolarHBondContact O-CE2 3.14Å; I317-I348 HydrophobicContact CD1-CD1 3.8Å; I317-I348 HydrophobicContact CG2-CD1 4.48Å
318C95.1Very high92.1Very high0 Ų058.9 Ų58.90%034%0.341CS..EExtended strand (participates in β ladder)trans-135.3157.7174.662.10000110.5F295 L312 V331 A332F295-C318 PolarHBondContact N-O 3.23Å; F295-C318 PolarHBondContact O-N 3.14Å; L312-C318 HydrophobicContact CD1-CB 4.09Å; C318-V331 HydrophobicContact CB-CB 4Å; C318-V331 HydrophobicContact CB-CG2 4.28Å; C318-A332 CarbonylContact C-O 3.46Å; C318-A332 VanDerWaalsContact CA-O 3.3Å; C318-A332 WeakPolarHBondContact CA-O 3.12Å; C318-A332 WeakPolarHBondContact CB-O 3.36Å
319V95.1Very high92.2Very high3 Ų357.6 Ų57.62%0.01833%0.325CS..EExtended strand (participates in β ladder)trans-119142.3-175.8-176.40000109.2V237 L288 D292 Q293 V294 V331 A332V237-V319 HydrophobicContact CG1-CG2 3.69Å; L288-V319 HydrophobicContact CD2-CB 4.27Å; L288-V319 HydrophobicContact CD2-CG1 3.58Å; L288-V319 HydrophobicContact CD2-CG2 3.64Å; D292-V319 HydrophobicContact CB-CG1 3.65Å; Q293-V319 CarbonylContact O-C 3.54Å; Q293-V319 WeakPolarHBondContact O-CA 3.36Å; V294-V319 HydrophobicContact CG2-CG2 4.39Å; V319-V331 CarbonylContact O-C 3.45Å; V319-V331 WeakPolarHBondContact O-CA 3.23Å; V319-A332 PolarHBondContact N-O 2.87Å; V319-A332 PolarHBondContact O-N 3.23Å
320S94.6Very high92.2Very high2 Ų259 Ų591%0.01433%0.329CS..EExtended strand (participates in β ladder)trans-125.7135.1170.6-166.70000111.1D292 Q293 E322 I329 R330D292-S320 CarbonylContact C-O 3.49Å; D292-S320 WeakPolarHBondContact CA-O 3.16Å; Q293-S320 PolarHBondContact N-O 3.12Å; Q293-S320 PolarHBondContact O-N 2.92Å; S320-E322 PolarHBondContact OG-N 3.18Å; S320-E322 PolarHBondContact OG-O 2.81Å; S320-I329 WeakPolarHBondContact OG-CG1 3.29Å; S320-R330 WeakPolarHBondContact CB-O 3.32Å; S320-R330 PolarHBondContact OG-O 3.26Å
321S90.4Very high92.3Very high71 Ų7158.2 Ų58.250%0.49733%0.325SS..SBendtrans-95.1-4.1171.167.90000112.4D292D292-S321 WeakPolarHBondContact OD1-CA 3.43Å; D292-S321 WeakPolarHBondContact OD1-CB 3.31Å
322E87.1Confident92.2Very high77 Ų7755.7 Ų55.736%0.3631%0.311SS..SBendtrans-127.6148.9-169.9-70.8176.4-166.500110.8S320 I329 R330S320-E322 PolarHBondContact OG-N 3.18Å; S320-E322 PolarHBondContact OG-O 2.81Å; E322-I329 WeakPolarHBondContact O-CD1 3.39Å; E322-R330 VanDerWaalsContact CD-CZ 3.45Å; E322-R330 IonicContact OE1-CZ 3.55Å; E322-R330 IonicContact OE1-NH1 3.96Å; E322-R330 PolarHBondContact OE1-NH1 2.95Å; E322-R330 IonicContact OE1-NH2 3.64Å; E322-R330 PolarHBondContact OE1-NH2 3.32Å; E322-R330 IonicContact OE2-CZ 3.02Å; E322-R330 IonicContact OE2-NH1 3.99Å; E322-R330 PolarHBondContact OE2-NH1 3.15Å; E322-R330 IonicContact OE2-NH2 2.79Å
323G84.5Confident92.1Very high60 Ų6056.6 Ų56.662%0.61931%0.314SS*.  trans-68.9161.1175.600000113.4
324E88.8Confident91.7Very high123 Ų12351.1 Ų51.158%0.57530%0.297SS*.  trans-56137.6171.1169.2174.2-161.100111.9G327 C342E324-G327 WeakPolarHBondContact OE1-CA 3.46Å; E324-G327 PolarHBondContact OE1-N 2.87Å; E324-C342 WeakPolarHBondContact CG-SG 3.42Å; E324-C342 PolarHBondContact OE1-SG 2.87Å
325R86.5Confident91.3Very high210 Ų21055 Ų5579%0.79231%0.312SS*.BIsolated β-bridgetrans-132.9108.4172.3-169.5-176.1-64.6-144.61.3110.4F328R325-F328 CarbonylContact C-O 3.48Å; R325-F328 PolarHBondContact N-O 2.81Å; R325-F328 PolarHBondContact O-N 3.01Å; R325-F328 VanDerWaalsContact O-O 3.12Å
326G83.2Confident91.2Very high77 Ų7759.9 Ų59.979%0.79432%0.323SS*.THydrogen-bonded Turntrans65.439.6172.100000114.2F328G326-F328 VanDerWaalsContact C-N 3.29Å; G326-F328 PolarHBondContact O-N 3.25Å
327G89.9Confident91.1Very high32 Ų3266.2 Ų66.233%0.3335%0.345SS..THydrogen-bonded Turntrans86.1-6.3-179.800000114.8E324 P341 C342E324-G327 WeakPolarHBondContact OE1-CA 3.46Å; E324-G327 PolarHBondContact OE1-N 2.87Å; G327-P341 WeakPolarHBondContact O-CA 3.45Å; G327-C342 PolarHBondContact O-N 3.49Å
328F92.9Very high91.1Very high78 Ų7866.4 Ų66.434%0.34235%0.347SS..EExtended strand (participates in β ladder)trans-121.4148179-67.9-97.7000110.3R325 G326 V340 P341R325-F328 CarbonylContact C-O 3.48Å; R325-F328 PolarHBondContact N-O 2.81Å; R325-F328 PolarHBondContact O-N 3.01Å; R325-F328 VanDerWaalsContact O-O 3.12Å; G326-F328 VanDerWaalsContact C-N 3.29Å; G326-F328 PolarHBondContact O-N 3.25Å; F328-V340 WeakPolarHBondContact CA-O 3.34Å; F328-P341 HydrophobicContact CD1-CB 4.47Å; F328-P341 HydrophobicContact CD1-CG 4.04Å; F328-P341 HydrophobicContact CE1-CB 4.35Å; F328-P341 HydrophobicContact CE1-CG 3.61Å; F328-P341 HydrophobicContact CZ-CG 4.31Å
329I94.9Very high91Very high6 Ų671.4 Ų71.43%0.03137%0.367CS..EExtended strand (participates in β ladder)trans-124.7142.8174-175.5166.7000109.1F295 S320 E322 V331 Y339 V340 L345F295-I329 HydrophobicContact CE1-CD1 4.49Å; F295-I329 HydrophobicContact CE2-CD1 3.9Å; F295-I329 HydrophobicContact CZ-CD1 3.67Å; S320-I329 WeakPolarHBondContact OG-CG1 3.29Å; E322-I329 WeakPolarHBondContact O-CD1 3.39Å; I329-V331 HydrophobicContact CG1-CG1 4.46Å; I329-V331 HydrophobicContact CG2-CG1 3.94Å; I329-V331 PolarHBondContact O-N 3.44Å; I329-Y339 WeakPolarHBondContact O-CA 3.43Å; I329-V340 PolarHBondContact N-O 3.48Å; I329-V340 PolarHBondContact O-N 3.08Å; I329-L345 HydrophobicContact CG2-CD1 3.31Å
330R94.5Very high91.1Very high69 Ų6971.2 Ų71.226%0.2637%0.366SS..EExtended strand (participates in β ladder)trans-84.4115175.4-159.6-178.785.2-136.3-2108.7S320 E322 Y339S320-R330 WeakPolarHBondContact CB-O 3.32Å; S320-R330 PolarHBondContact OG-O 3.26Å; E322-R330 VanDerWaalsContact CD-CZ 3.45Å; E322-R330 IonicContact OE1-CZ 3.55Å; E322-R330 IonicContact OE1-NH1 3.96Å; E322-R330 PolarHBondContact OE1-NH1 2.95Å; E322-R330 IonicContact OE1-NH2 3.64Å; E322-R330 PolarHBondContact OE1-NH2 3.32Å; E322-R330 IonicContact OE2-CZ 3.02Å; E322-R330 IonicContact OE2-NH1 3.99Å; E322-R330 PolarHBondContact OE2-NH1 3.15Å; E322-R330 IonicContact OE2-NH2 2.79Å; R330-Y339 HydrophobicContact CB-CD1 3.99Å; R330-Y339 HydrophobicContact CB-CE1 3.75Å; R330-Y339 HydrophobicContact CG-CD1 4.29Å; R330-Y339 HydrophobicContact CG-CE1 4.06Å
331V95.2Very high91.1Very high2 Ų271.9 Ų71.91%0.01237%0.37CS..EExtended strand (participates in β ladder)trans-114.9154.5-178.4-64.80000111.3L310 L312 C318 V319 I329 R337 G338 V340 L345L310-V331 HydrophobicContact CD2-CG2 4.08Å; L312-V331 HydrophobicContact CD1-CG2 4.26Å; C318-V331 HydrophobicContact CB-CB 4Å; C318-V331 HydrophobicContact CB-CG2 4.28Å; V319-V331 CarbonylContact O-C 3.45Å; V319-V331 WeakPolarHBondContact O-CA 3.23Å; I329-V331 HydrophobicContact CG1-CG1 4.46Å; I329-V331 HydrophobicContact CG2-CG1 3.94Å; I329-V331 PolarHBondContact O-N 3.44Å; V331-R337 CarbonylContact O-C 3.51Å; V331-R337 VanDerWaalsContact O-CA 3.29Å; V331-R337 WeakPolarHBondContact O-CA 3.47Å; V331-G338 PolarHBondContact N-O 3Å; V331-G338 PolarHBondContact O-N 2.85Å; V331-V340 HydrophobicContact CG2-CB 3.9Å; V331-V340 HydrophobicContact CG2-CG2 3.4Å; V331-V340 VanDerWaalsContact CG2-CG2 3.4Å; V331-L345 HydrophobicContact CG1-CD1 3.94Å
332A94Very high91.2Very high10 Ų1069.9 Ų69.98%0.08336%0.356CS..EExtended strand (participates in β ladder)trans-111.6134.2172.500000109.7C318 V319 K336 R337C318-A332 CarbonylContact C-O 3.46Å; C318-A332 VanDerWaalsContact CA-O 3.3Å; C318-A332 WeakPolarHBondContact CA-O 3.12Å; C318-A332 WeakPolarHBondContact CB-O 3.36Å; V319-A332 PolarHBondContact N-O 2.87Å; V319-A332 PolarHBondContact O-N 3.23Å; A332-K336 CarbonylContact C-O 3.51Å; A332-K336 WeakPolarHBondContact CA-O 3.49Å; A332-R337 HydrophobicContact CB-CG 3.9Å
333F91.8Very high91.6Very high19 Ų1971 Ų718%0.08336%0.364CS..EExtended strand (participates in β ladder)trans-125.798.6172.6-180-96.5000108Y240 L310 L312 Q316 I317 K335 K336Y240-F333 AromaticContact CE1-CZ 3.77Å; Y240-F333 HydrophobicContact CE1-CZ 3.77Å; Y240-F333 HydrophobicContact CE2-CZ 4.28Å; Y240-F333 AromaticContact CZ-CE1 3.99Å; Y240-F333 AromaticContact CZ-CZ 3.45Å; Y240-F333 VanDerWaalsContact CZ-CZ 3.45Å; Y240-F333 WeakPolarHBondContact OH-CE1 3.28Å; Y240-F333 WeakPolarHBondContact OH-CZ 3.46Å; L310-F333 HydrophobicContact CD2-CB 3.91Å; L312-F333 HydrophobicContact CD2-CB 4.23Å; L312-F333 HydrophobicContact CD2-CD2 4.2Å; L312-F333 HydrophobicContact CD2-CG 4.27Å; Q316-F333 HydrophobicContact CB-CE2 4.24Å; Q316-F333 VanDerWaalsContact NE2-CZ 3.34Å; I317-F333 WeakPolarHBondContact O-CD2 3.26Å; I317-F333 WeakPolarHBondContact O-CE2 3.14Å; F333-K335 PolarHBondContact O-N 2.84Å; F333-K335 VanDerWaalsContact O-N 3.12Å; F333-K336 PolarHBondContact N-O 2.89Å; F333-K336 PolarHBondContact O-N 2.96Å
334G88Confident92.1Very high23 Ų2368.3 Ų68.324%0.23734%0.336CS..THydrogen-bonded Turntrans55.6-117.5-169.900000110.6H286H286-G334 PolarHBondContact CE1-O 3.41Å; H286-G334 PolarHBondContact ND1-O 2.85Å
335K86.6Confident92.4Very high215 Ų21563.3 Ų63.394%0.93531%0.313SS*.THydrogen-bonded Turntrans-86.4-9.7179.2-61.3-178.7-179.3179.90114.2F333F333-K335 PolarHBondContact O-N 2.84Å; F333-K335 VanDerWaalsContact O-N 3.12Å
336K91.4Very high92.8Very high139 Ų13958.4 Ų58.460%0.60430%0.299SS*.EExtended strand (participates in β ladder)trans-94.3143.2-177.2-63.7175.5-175.4166.50109.6L310 A332 F333L310-K336 HydrophobicContact CD1-CB 4.07Å; A332-K336 CarbonylContact C-O 3.51Å; A332-K336 WeakPolarHBondContact CA-O 3.49Å; F333-K336 PolarHBondContact N-O 2.89Å; F333-K336 PolarHBondContact O-N 2.96Å
337R93.3Very high93.3Very high174 Ų17459.9 Ų59.966%0.65729%0.287SS*.EExtended strand (participates in β ladder)trans-132150.4175.6-61.3-177.3177.7-177.8-3.2109.8V331 A332V331-R337 CarbonylContact O-C 3.51Å; V331-R337 VanDerWaalsContact O-CA 3.29Å; V331-R337 WeakPolarHBondContact O-CA 3.47Å; A332-R337 HydrophobicContact CB-CG 3.9Å
338G94.4Very high93.3Very high5 Ų562 Ų625%0.05229%0.291CS..EExtended strand (participates in β ladder)trans175.7177.9174.100000112.8G308 V331G308-G338 CarbonylContact O-C 3.49Å; G308-G338 WeakPolarHBondContact O-CA 3.32Å; V331-G338 PolarHBondContact N-O 3Å; V331-G338 PolarHBondContact O-N 2.85Å
339Y94.9Very high93.4Very high104 Ų10461.3 Ų61.341%0.40829%0.288SS..EExtended strand (participates in β ladder)trans-86.8138-179.7-65.7-81.5000111.7G308 Q309 L310 I329 R330G308-Y339 PolarHBondContact O-N 2.59Å; Q309-Y339 CarbonylContact C-O 3.51Å; Q309-Y339 VanDerWaalsContact CA-O 3.22Å; Q309-Y339 WeakPolarHBondContact CA-O 3.37Å; Q309-Y339 WeakPolarHBondContact CB-O 3.33Å; L310-Y339 PolarHBondContact N-O 2.96Å; I329-Y339 WeakPolarHBondContact O-CA 3.43Å; R330-Y339 HydrophobicContact CB-CD1 3.99Å; R330-Y339 HydrophobicContact CB-CE1 3.75Å; R330-Y339 HydrophobicContact CG-CD1 4.29Å; R330-Y339 HydrophobicContact CG-CE1 4.06Å
340V95.6Very high93.3Very high0 Ų064.2 Ų64.20%030%0.302CS..EExtended strand (participates in β ladder)trans-136.4140.5176.3179.10000108.2F301 L310 L312 F328 I329 V331 V344 L345F301-V340 HydrophobicContact CD1-CG1 3.99Å; F301-V340 HydrophobicContact CD1-CG2 4.36Å; L310-V340 HydrophobicContact CB-CG2 3.83Å; L312-V340 HydrophobicContact CD1-CG1 4.17Å; L312-V340 HydrophobicContact CD1-CG2 3.83Å; L312-V340 HydrophobicContact CG-CG2 4.2Å; F328-V340 WeakPolarHBondContact CA-O 3.34Å; I329-V340 PolarHBondContact N-O 3.48Å; I329-V340 PolarHBondContact O-N 3.08Å; V331-V340 HydrophobicContact CG2-CB 3.9Å; V331-V340 HydrophobicContact CG2-CG2 3.4Å; V331-V340 VanDerWaalsContact CG2-CG2 3.4Å; V340-V344 HydrophobicContact CG1-CG2 3.28Å; V340-L345 HydrophobicContact CB-CD1 4.34Å; V340-L345 HydrophobicContact CG1-CD1 4.13Å; V340-L345 HydrophobicContact CG1-CD2 4.09Å; V340-L345 HydrophobicContact CG1-CG 4.09Å
341P94.6Very high93.2Very high15 Ų1563.9 Ų63.910%0.09730%0.304CS..EExtended strand (participates in β ladder)trans-57.3141.6173.6-24.433.2000112.2F301 G327 F328 D343 V344F301-P341 HydrophobicContact CD2-CG 3.95Å; F301-P341 VanDerWaalsContact CE1-CD 3.49Å; F301-P341 HydrophobicContact CE1-CG 4.36Å; F301-P341 HydrophobicContact CE2-CG 3.65Å; F301-P341 HydrophobicContact CG-CG 4.44Å; F301-P341 VanDerWaalsContact CZ-CD 3.48Å; F301-P341 HydrophobicContact CZ-CG 3.88Å; G327-P341 WeakPolarHBondContact O-CA 3.45Å; F328-P341 HydrophobicContact CD1-CB 4.47Å; F328-P341 HydrophobicContact CD1-CG 4.04Å; F328-P341 HydrophobicContact CE1-CB 4.35Å; F328-P341 HydrophobicContact CE1-CG 3.61Å; F328-P341 HydrophobicContact CZ-CG 4.31Å; P341-D343 WeakPolarHBondContact CB-OD1 3.47Å; P341-D343 PolarHBondContact O-N 3.48Å; P341-V344 HydrophobicContact CB-CG1 4.45Å; P341-V344 HydrophobicContact CB-CG2 4.32Å; P341-V344 WeakPolarHBondContact O-CG2 3.42Å; P341-V344 PolarHBondContact O-N 3.45Å
342C93.9Very high93.1Very high29 Ų2967.5 Ų67.520%0.19632%0.321CS..G310 helixtrans-69.4-25.7177.1-59.40000112.2E324 G327 V344 L345E324-C342 WeakPolarHBondContact CG-SG 3.42Å; E324-C342 PolarHBondContact OE1-SG 2.87Å; G327-C342 PolarHBondContact O-N 3.49Å; C342-V344 PolarHBondContact O-N 3.07Å; C342-L345 PolarHBondContact O-N 3.32Å; C342-L345 VanDerWaalsContact O-N 3.08Å
343D94.1Very high93Very high100 Ų10071.1 Ų71.154%0.53534%0.336SS..G310 helixtrans-70.2-16.1-178.872.1-11.7000114N298 R299 P341N298-D343 PolarHBondContact ND2-O 3.46Å; R299-D343 IonicContact CZ-OD2 2.64Å; R299-D343 IonicContact NH2-OD1 3.39Å; R299-D343 PolarHBondContact NH2-OD1 3.05Å; R299-D343 IonicContact NH2-OD2 3.88Å; R299-D343 PolarHBondContact NH2-OD2 3.25Å; P341-D343 WeakPolarHBondContact CB-OD1 3.47Å; P341-D343 PolarHBondContact O-N 3.48Å
344V95.2Very high93.1Very high4 Ų474.6 Ų74.62%0.02435%0.353CS..G310 helixtrans-93.7-2.3173.2-54.90000112.6C297 N298 R299 F301 V340 P341 C342C297-V344 CarbonylContact C-O 3.59Å; C297-V344 WeakPolarHBondContact CA-O 3.15Å; N298-V344 PolarHBondContact N-O 3.16Å; N298-V344 VanDerWaalsContact OD1-C 3.27Å; N298-V344 VanDerWaalsContact OD1-CA 3.25Å; N298-V344 WeakPolarHBondContact OD1-CA 3.4Å; N298-V344 PolarHBondContact OD1-O 3.23Å; R299-V344 HydrophobicContact CG-CB 4.02Å; R299-V344 HydrophobicContact CG-CG1 3.77Å; F301-V344 HydrophobicContact CB-CB 4.48Å; F301-V344 HydrophobicContact CB-CG1 4.12Å; F301-V344 HydrophobicContact CB-CG2 4.08Å; F301-V344 HydrophobicContact CG-CG2 4.49Å; V340-V344 HydrophobicContact CG1-CG2 3.28Å; P341-V344 HydrophobicContact CB-CG1 4.45Å; P341-V344 HydrophobicContact CB-CG2 4.32Å; P341-V344 WeakPolarHBondContact O-CG2 3.42Å; P341-V344 PolarHBondContact O-N 3.45Å; C342-V344 PolarHBondContact O-N 3.07Å
345L94.9Very high93.5Very high19 Ų1978.3 Ų78.310%0.09936%0.361CS..EExtended strand (participates in β ladder)trans-114.1140.6-173.1-62.5177.5000111.2F295 C297 L312 I329 V331 V340 C342F295-L345 HydrophobicContact CB-CB 4.19Å; F295-L345 HydrophobicContact CB-CD1 4.49Å; F295-L345 HydrophobicContact CB-CD2 4.19Å; F295-L345 HydrophobicContact CD1-CB 3.92Å; F295-L345 HydrophobicContact CD1-CD1 4.47Å; F295-L345 HydrophobicContact CG-CB 4.32Å; F295-L345 HydrophobicContact CG-CD1 4.4Å; C297-L345 HydrophobicContact CB-CD2 4.47Å; L312-L345 HydrophobicContact CD1-CD2 4.23Å; I329-L345 HydrophobicContact CG2-CD1 3.31Å; V331-L345 HydrophobicContact CG1-CD1 3.94Å; V340-L345 HydrophobicContact CB-CD1 4.34Å; V340-L345 HydrophobicContact CG1-CD1 4.13Å; V340-L345 HydrophobicContact CG1-CD2 4.09Å; V340-L345 HydrophobicContact CG1-CG 4.09Å; C342-L345 PolarHBondContact O-N 3.32Å; C342-L345 VanDerWaalsContact O-N 3.08Å
346E95.1Very high94Very high107 Ų10767.8 Ų67.850%0.532%0.317SS..EExtended strand (participates in β ladder)trans-123.8131.2174.8-178.4178.1-156.900108.6F295 R296F295-E346 CarbonylContact C-O 3.38Å; F295-E346 WeakPolarHBondContact CA-O 3.46Å; R296-E346 PolarHBondContact N-O 3.4Å; R296-E346 PolarHBondContact O-N 3.31Å
347I93.3Very high94.2Very high107 Ų10761.8 Ų61.855%0.54929%0.293SS..EExtended strand (participates in β ladder)trans-74136.1177.9-62.9167.5000109F295F295-I347 HydrophobicContact CD1-CG1 3.64Å; F295-I347 HydrophobicContact CE1-CD1 4.04Å; F295-I347 HydrophobicContact CE1-CG1 3.31Å; F295-I347 HydrophobicContact CZ-CG1 4.15Å
348I91.6Very high94.3Very high78 Ų7851.6 Ų51.640%0.426%0.26SS..  trans-125.70-179.861.2162.5000114.6V294 R296 I317V294-I348 HydrophobicContact CB-CG1 4.16Å; V294-I348 HydrophobicContact CG1-CD1 3.76Å; V294-I348 HydrophobicContact CG1-CG1 3.63Å; V294-I348 PolarHBondContact O-N 3.23Å; V294-I348 VanDerWaalsContact O-N 3.16Å; R296-I348 HydrophobicContact CB-CD1 4.35Å; R296-I348 HydrophobicContact CB-CG2 3.71Å; I317-I348 HydrophobicContact CD1-CD1 3.8Å; I317-I348 HydrophobicContact CG2-CD1 4.48Å

Retrieved 348 of 348 residues in 459.3 ms (Link to these results)