A0A060W6G0_ONCMY Loading...

CD3e molecule, epsilon associated protein

AlphaFold DB , UniProt , Accession A0A060W6G0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110503600, Length 324 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
1M41.6Very low44.9Very low247 Ų247143 Ų143100%1.21784%0.835SS**  0120.20-79.7175.4153.600107
2S41.8Very low44.8Very low101 Ų101138.3 Ų138.371%0.70682%0.824SS**  trans-61.4156.5-173.5-42.10000113
3N46.4Very low44.3Very low169 Ų169136.3 Ų136.390%0.90482%0.822SS**  trans-159.298.5132.8-86.2-24.2000108.3
4D49.1Very low43.8Very low143 Ų143137.6 Ų137.677%0.76582%0.822SS**  trans-70.2137.8155-72.3-73.4000109.3
5V51.8Low43.9Very low150 Ų150136.7 Ų136.791%0.90982%0.818SS**  trans-144.1112.6146.1-84.90000108.6
6S47.6Very low43.9Very low105 Ų105138.8 Ų138.873%0.73482%0.816SS**  trans-87.6157.1173.4-77.40000112.5
7S45.5Very low43.8Very low122 Ų122141.2 Ų141.285%0.85382%0.818SS**  trans71.3147.7149.9-77.80000117.7
8S41.2Very low43.9Very low103 Ų103139.9 Ų139.972%0.7281%0.812SS**  cis177.3145.72.8162.70000105.3
9S40.3Very low43.8Very low111 Ų111138.6 Ų138.678%0.77681%0.808SS**  trans175.4120.8135.8-163.40000111.5
10D44.4Very low44.2Very low134 Ų134140.8 Ų140.872%0.71781%0.811SS**  trans-48147.2156.7-70.3-99.3000112.9
11E44.1Very low44.6Very low188 Ų188143.4 Ų143.488%0.87981%0.813SS**  trans-160.3144.3131.7-84.2-49.895.200109
12A43.3Very low45.3Very low86 Ų86142.8 Ų142.871%0.71180%0.797SS**  trans-87.4166.7-16000000116.2
13S39.3Very low46.1Very low113 Ų113149 Ų14979%0.7981%0.805SS**  trans79.3104.7149.3-50.10000118.3
14D37.5Very low46.8Very low155 Ų155150.6 Ų150.683%0.82980%0.804SS**  -159.4140.7103.6-143-14000111.6E16D14-E16 PolarHBondContact O-N 3.45Å
15T44.2Very low47.6Very low123 Ų123152.1 Ų152.176%0.75581%0.806SS**  trans-101.981.2-165.2-320000108.8E17T15-E17 PolarHBondContact O-N 3.45Å
16E44.1Very low48.3Very low171 Ų171149.2 Ų149.280%0.79980%0.798SS**  trans-90.495.6165.9-78.8-85.4154.800107.9D14 V18D14-E16 PolarHBondContact O-N 3.45Å; E16-V18 VanDerWaalsContact C-N 3.26Å; E16-V18 PolarHBondContact O-N 2.83Å
17E42.5Very low49.6Very low179 Ų179149.9 Ų149.984%0.83680%0.802SS**  trans-59.789.7166.2-85.7-160.3144.900109.3T15 P19T15-E17 PolarHBondContact O-N 3.45Å; E17-P19 WeakPolarHBondContact O-CD 3.43Å
18V45.3Very low51.6Low119 Ų119154.8 Ų154.872%0.72180%0.802SS**  trans-58.6123.3158.6177.70000106.3E16 Q20E16-V18 VanDerWaalsContact C-N 3.26Å; E16-V18 PolarHBondContact O-N 2.83Å; V18-Q20 PolarHBondContact O-N 2.71Å
19P43Very low53.9Low114 Ų114159.3 Ų159.374%0.7481%0.805SS**  trans-59.4108.3179.1-17.728.3000107.4E17 K21E17-P19 WeakPolarHBondContact O-CD 3.43Å; P19-K21 PolarHBondContact O-N 2.8Å
20Q50.5Low56.4Low183 Ų183162.3 Ų162.386%0.85581%0.807SS**  trans-57.996.2168.3-83.7-173-2200105.8V18 R22V18-Q20 PolarHBondContact O-N 2.71Å; Q20-R22 PolarHBondContact O-N 2.73Å
21K52.8Low58.6Low195 Ų195158.8 Ų158.885%0.84879%0.792SS**  trans-5398.9170.3-150.7177.4-168.3176.80104.1P19 R23P19-K21 PolarHBondContact O-N 2.8Å; K21-R23 PolarHBondContact O-N 2.81Å
22R55.7Low61.1Low234 Ų234153 Ų15388%0.88377%0.771SS**  trans-53.297.7178.1-77.1-176.5172.5-175.2-1.9105.2Q20 K24Q20-R22 PolarHBondContact O-N 2.73Å; R22-K24 PolarHBondContact O-N 2.69Å
23R59.1Low63.6Low232 Ų232153.8 Ų153.888%0.87578%0.777SS**  trans-60.6101.8171.3-76.1-177170.3-179.3-2.7102.6K21 Q25K21-R23 PolarHBondContact O-N 2.81Å; R23-Q25 VanDerWaalsContact C-N 3.28Å; R23-Q25 PolarHBondContact O-N 2.98Å
24K62.3Low66.3Low202 Ų202155.8 Ų155.888%0.87878%0.779SS**  trans-50.9104.2171.1-70.8-179.3178.2-178.40104.2R22 A26R22-K24 PolarHBondContact O-N 2.69Å; K24-A26 PolarHBondContact O-N 2.79Å
25Q65.8Low69.1Low176 Ų176155 Ų15582%0.82277%0.768SS**  trans-58.7115.8175.4-72.7-168-1.200104.3R23 S27R23-Q25 VanDerWaalsContact C-N 3.28Å; R23-Q25 PolarHBondContact O-N 2.98Å; Q25-S27 PolarHBondContact O-N 2.95Å
26A66.6Low71.5Confident89 Ų89155.4 Ų155.474%0.73677%0.771SS**  trans-51.5121.1170.600000105.8K24 R28K24-A26 PolarHBondContact O-N 2.79Å; A26-R28 PolarHBondContact O-N 3.04Å
27S74.6Confident73.6Confident118 Ų118152.1 Ų152.183%0.82577%0.772SS**  trans-53.3114.6177.449.40000107Q25Q25-S27 PolarHBondContact O-N 2.95Å
28R87.7Confident75.8Confident225 Ų225151.8 Ų151.885%0.84977%0.769SS**  trans-58.2147.1177.1-67.3-179.6-179.3172.5-0.4108A26 Q30A26-R28 PolarHBondContact O-N 3.04Å; R28-Q30 PolarHBondContact O-N 3.3Å
29Y89.6Confident77.7Confident198 Ų198150.3 Ų150.378%0.77677%0.769SS**  trans-54.2131.8172.4174.6-99.7000109.7C31Y29-C31 HydrophobicContact CE1-CB 4.22Å
30Q91.9Very high79.8Confident174 Ų174150.6 Ų150.681%0.81376%0.76SS**  trans-117.1122.5174.5-169.9172.811.100108.2R28R28-Q30 PolarHBondContact O-N 3.3Å
31C91.6Very high81.7Confident60 Ų60150.6 Ų150.641%0.40576%0.757SS.*  trans-67.4136.5176.8-162.80000109.4Y29 F35Y29-C31 HydrophobicContact CE1-CB 4.22Å; C31-F35 WeakPolarHBondContact SG-CB 3.42Å
32P95.6Very high83.5Confident68 Ų68142.5 Ų142.544%0.44272%0.724SS.*  trans-58.1149.4173.8-1929.9000111.4D34 F35P32-D34 PolarHBondContact O-N 3.39Å; P32-D34 VanDerWaalsContact O-N 3.12Å; P32-F35 HydrophobicContact CB-CD2 3.88Å; P32-F35 HydrophobicContact CB-CE2 4.33Å; P32-F35 HydrophobicContact CG-CD2 4.16Å; P32-F35 HydrophobicContact CG-CE2 4.45Å; P32-F35 PolarHBondContact O-N 3.42Å
33A95Very high85.1Confident102 Ų102135.1 Ų135.184%0.84371%0.708SS**THydrogen-bonded Turntrans-62-25.3-169.600000114.6F35A33-F35 PolarHBondContact O-N 3.12Å
34D97.5Very high86.6Confident154 Ų154126.9 Ų126.982%0.82469%0.689SS**THydrogen-bonded Turntrans-79.7-4.1179.7-53.9-41.3000113P32P32-D34 PolarHBondContact O-N 3.39Å; P32-D34 VanDerWaalsContact O-N 3.12Å
35F96.1Very high88Confident138 Ų138120.9 Ų120.961%0.60567%0.673SS**  trans-112.4137.5-179-66.9-99.8000110.4C31 P32 A33C31-F35 WeakPolarHBondContact SG-CB 3.42Å; P32-F35 HydrophobicContact CB-CD2 3.88Å; P32-F35 HydrophobicContact CB-CE2 4.33Å; P32-F35 HydrophobicContact CG-CD2 4.16Å; P32-F35 HydrophobicContact CG-CE2 4.45Å; P32-F35 PolarHBondContact O-N 3.42Å; A33-F35 PolarHBondContact O-N 3.12Å
36V93.3Very high89.2Confident133 Ų133114.4 Ų114.481%0.80665%0.645SS**  trans-111137.2177-1780000108.9F38V36-F38 PolarHBondContact O-N 3.02Å
37A89.9Confident90.5Very high101 Ų101111.3 Ų111.384%0.83562%0.616SS**  trans-61.9123.6172.700000109.7
38F87Confident91.4Very high173 Ų173107 Ų10776%0.75958%0.584SS**  trans-118.7124.4178.1179.5-101.5000109.7V36 H40V36-F38 PolarHBondContact O-N 3.02Å; F38-H40 HydrophobicContact CD1-CB 4.27Å; F38-H40 HydrophobicContact CE1-CB 3.79Å
39A86.7Confident91.7Very high88 Ų88100.8 Ų100.873%0.72756%0.564SS**  trans-97.1102.9172.800000108.9
40H86.6Confident91.8Very high120 Ų12097.3 Ų97.356%0.55655%0.55SS*.  trans-69.6134.7173.2178.9-102.6000110F38 P42F38-H40 HydrophobicContact CD1-CB 4.27Å; F38-H40 HydrophobicContact CE1-CB 3.79Å; H40-P42 WeakPolarHBondContact O-CD 3.35Å
41K89.9Confident91.8Very high183 Ų18389.6 Ų89.680%0.79652%0.515SS*.  trans-103106.1171.9-68.6-175.7-179.8-1790108.7
42P90.3Very high91.8Very high24 Ų2490 Ų9016%0.15652%0.517CS..  trans-58.8148.9177.7-22.633.5000112.1H40 L47 S119H40-P42 WeakPolarHBondContact O-CD 3.35Å; P42-L47 HydrophobicContact CB-CD2 4.31Å; P42-S119 WeakPolarHBondContact CG-OG 3.25Å
43C90.4Very high91.7Very high80 Ų8091.5 Ų91.554%0.54152%0.518SS..  trans-69.4151.2170.1-59.50000110S45 T46 L47C43-S45 PolarHBondContact O-N 3.26Å; C43-S45 VanDerWaalsContact O-N 3.13Å; C43-T46 HydrophobicContact CB-CG2 4.39Å; C43-T46 PolarHBondContact N-OG1 3.07Å; C43-T46 PolarHBondContact O-N 2.76Å; C43-T46 PolarHBondContact O-OG1 3.17Å; C43-L47 PolarHBondContact O-N 3.49Å
44A90.5Very high91.4Very high58 Ų5894.5 Ų94.548%0.47952%0.52SS..G310 helixtrans-56.8-31.9179.600000113.3T46 R50A44-T46 VanDerWaalsContact C-N 3.31Å; A44-R50 WeakPolarHBondContact O-CD 3.49Å
45S90.8Very high91Very high77 Ų7794.8 Ų94.854%0.53852%0.522SS..G310 helixtrans-70.7-22.5175.350.10000114.2C43C43-S45 PolarHBondContact O-N 3.26Å; C43-S45 VanDerWaalsContact O-N 3.13Å
46T92.1Very high90.9Very high39 Ų3990.9 Ų90.924%0.23951%0.509CS..G310 helixtrans-98-0.7-176.856.90000113.3C43 A44 L116 T118C43-T46 HydrophobicContact CB-CG2 4.39Å; C43-T46 PolarHBondContact N-OG1 3.07Å; C43-T46 PolarHBondContact O-N 2.76Å; C43-T46 PolarHBondContact O-OG1 3.17Å; A44-T46 VanDerWaalsContact C-N 3.31Å; T46-L116 HydrophobicContact CG2-CD2 4.45Å; T46-T118 VanDerWaalsContact O-CB 3.3Å; T46-T118 WeakPolarHBondContact O-CB 3.43Å; T46-T118 PolarHBondContact O-OG1 3.38Å
47L93.5Very high90.8Very high24 Ų2490.4 Ų90.413%0.12650%0.498CS..SBendtrans-63147177.1-67.9174.8000111P42 C43 E49 R50 V51 S119 P121 L124P42-L47 HydrophobicContact CB-CD2 4.31Å; C43-L47 PolarHBondContact O-N 3.49Å; L47-E49 VanDerWaalsContact C-N 3.27Å; L47-E49 PolarHBondContact O-N 3.34Å; L47-E49 VanDerWaalsContact O-N 3.16Å; L47-R50 PolarHBondContact O-N 2.87Å; L47-V51 PolarHBondContact O-N 3.1Å; L47-S119 WeakPolarHBondContact CD2-O 3.29Å; L47-P121 HydrophobicContact CD1-CB 4.1Å; L47-L124 HydrophobicContact CD2-CD2 4.39Å
48I93.9Very high91Very high28 Ų2886.9 Ų86.914%0.14447%0.465CS..Hα-helixtrans-54.9-40.1-171.4-167.162.9000113.4R50 V51 C52 T118 S119 H120 V128 A130I48-R50 VanDerWaalsContact C-N 3.27Å; I48-R50 PolarHBondContact O-N 3.47Å; I48-V51 PolarHBondContact O-N 2.6Å; I48-C52 WeakPolarHBondContact O-CB 3.23Å; I48-C52 PolarHBondContact O-N 2.91Å; I48-C52 VanDerWaalsContact O-N 3.11Å; I48-C52 PolarHBondContact O-SG 2.85Å; I48-C52 VanDerWaalsContact O-SG 3.33Å; I48-T118 HydrophobicContact CB-CG2 4.15Å; I48-T118 HydrophobicContact CD1-CG2 4.27Å; I48-S119 PolarHBondContact N-O 2.68Å; I48-H120 HydrophobicContact CG2-CB 4.18Å; I48-V128 HydrophobicContact CB-CG2 4.05Å; I48-V128 HydrophobicContact CD1-CG2 4.35Å; I48-V128 HydrophobicContact CG1-CG2 4.19Å; I48-V128 HydrophobicContact CG2-CG2 4.45Å; I48-A130 HydrophobicContact CD1-CB 4.2Å
49E92.6Very high91.4Very high95 Ų9581.5 Ų81.544%0.44444%0.44SS..Hα-helixtrans-59.3-38.7179.8-69.1178.7-174.400112L47 E53 H120 P121L47-E49 VanDerWaalsContact C-N 3.27Å; L47-E49 PolarHBondContact O-N 3.34Å; L47-E49 VanDerWaalsContact O-N 3.16Å; E49-E53 WeakPolarHBondContact O-CG 3.43Å; E49-H120 IonicContact OE1-CE1 3Å; E49-H120 PolarHBondContact OE1-CE1 3.43Å; E49-H120 IonicContact OE1-ND1 3.57Å; E49-H120 IonicContact OE1-NE2 3.9Å; E49-P121 HydrophobicContact CG-CG 3.99Å; E49-P121 WeakPolarHBondContact OE1-CG 3.3Å; E49-P121 WeakPolarHBondContact OE2-CG 3.33Å
50R92.7Very high91.8Very high125 Ų12580 Ų8047%0.47242%0.419SS..Hα-helixtrans-79.8-37.7-178.2-66.6-160.8-177.4170.6-0.7113.4A44 L47 I48 C52 E53 T56A44-R50 WeakPolarHBondContact O-CD 3.49Å; L47-R50 PolarHBondContact O-N 2.87Å; I48-R50 VanDerWaalsContact C-N 3.27Å; I48-R50 PolarHBondContact O-N 3.47Å; R50-C52 PolarHBondContact O-N 3.35Å; R50-E53 WeakPolarHBondContact O-CB 3.46Å; R50-E53 PolarHBondContact O-N 3.05Å; R50-T56 WeakPolarHBondContact O-CB 3.3Å; R50-T56 PolarHBondContact O-OG1 3.11Å
51V93Very high92.2Very high12 Ų1278.9 Ų78.97%0.07342%0.417CS..Hα-helixtrans-72.7-23-178.9-177.20000111.3L47 I48 L58 A130L47-V51 PolarHBondContact O-N 3.1Å; I48-V51 PolarHBondContact O-N 2.6Å; V51-L58 HydrophobicContact CG1-CB 4.17Å; V51-L58 HydrophobicContact CG1-CD1 4.17Å; V51-L58 HydrophobicContact CG1-CD2 4.14Å; V51-L58 HydrophobicContact CG1-CG 4.37Å; V51-A130 HydrophobicContact CG1-CB 4.25Å
52C91.4Very high92.5Very high68 Ų6876.8 Ų76.846%0.45941%0.408SS..THydrogen-bonded Turntrans-894174.8-67.40000114.1I48 R50I48-C52 WeakPolarHBondContact O-CB 3.23Å; I48-C52 PolarHBondContact O-N 2.91Å; I48-C52 VanDerWaalsContact O-N 3.11Å; I48-C52 PolarHBondContact O-SG 2.85Å; I48-C52 VanDerWaalsContact O-SG 3.33Å; R50-C52 PolarHBondContact O-N 3.35Å
53E92.7Very high92.7Very high99 Ų9977.6 Ų77.646%0.46342%0.416SS..SBendtrans-71.8141.5174.9-66.9172.2-167.200110.9E49 R50 N55 T56E49-E53 WeakPolarHBondContact O-CG 3.43Å; R50-E53 WeakPolarHBondContact O-CB 3.46Å; R50-E53 PolarHBondContact O-N 3.05Å; E53-N55 PolarHBondContact O-N 3.28Å; E53-T56 PolarHBondContact O-N 3.36Å
54D88.5Confident92.9Very high166 Ų16676 Ų7689%0.88840%0.404SS*.THydrogen-bonded Turntrans-61.5-16.8-176.1-63-33.3000114.6
55N90.2Very high93Very high159 Ų15979.6 Ų79.685%0.8543%0.427SS*.THydrogen-bonded Turntrans-10511.3-178.5-61-52.7000113.1E53E53-N55 PolarHBondContact O-N 3.28Å
56T92.5Very high92.9Very high57 Ų5779.6 Ų79.635%0.3543%0.427SS..  trans-116.3127.6-177.8-60.80000110.1R50 E53R50-T56 WeakPolarHBondContact O-CB 3.3Å; R50-T56 PolarHBondContact O-OG1 3.11Å; E53-T56 PolarHBondContact O-N 3.36Å
57E92.6Very high92.9Very high122 Ų12279.5 Ų79.557%0.5742%0.423SS*.  trans-109.1137.4173.6-66.8-176.5175.300110.4W59E57-W59 PolarHBondContact OE2-NE1 3.33Å
58L93.4Very high92.7Very high28 Ų2879.9 Ų79.915%0.14743%0.425CS..  trans-101.5115.9178.2-172.969.7000109.6V51 L116 A130 F133 S134V51-L58 HydrophobicContact CG1-CB 4.17Å; V51-L58 HydrophobicContact CG1-CD1 4.17Å; V51-L58 HydrophobicContact CG1-CD2 4.14Å; V51-L58 HydrophobicContact CG1-CG 4.37Å; L58-L116 HydrophobicContact CD1-CD2 4.05Å; L58-L116 HydrophobicContact CD2-CB 3.91Å; L58-L116 HydrophobicContact CD2-CD2 4.45Å; L58-A130 HydrophobicContact CD2-CB 4.47Å; L58-F133 HydrophobicContact CB-CD1 4.34Å; L58-F133 HydrophobicContact CD1-CE1 4.21Å; L58-F133 HydrophobicContact CD2-CD1 3.75Å; L58-F133 HydrophobicContact CD2-CE1 3.71Å; L58-F133 HydrophobicContact CD2-CG 4.19Å; L58-F133 HydrophobicContact CD2-CZ 4.11Å; L58-F133 HydrophobicContact CG-CD1 3.51Å; L58-F133 HydrophobicContact CG-CE1 3.61Å; L58-F133 HydrophobicContact CG-CG 4.32Å; L58-F133 HydrophobicContact CG-CZ 4.48Å; L58-F133 CarbonylContact O-C 3.53Å; L58-F133 WeakPolarHBondContact O-CA 3.33Å; L58-S134 PolarHBondContact N-OG 3.23Å; L58-S134 VanDerWaalsContact N-OG 3.14Å; L58-S134 WeakPolarHBondContact O-CB 3.4Å; L58-S134 PolarHBondContact O-N 3.11Å
59W95.1Very high92.6Very high59 Ų5982.5 Ų82.522%0.22344%0.444CS..EExtended strand (participates in β ladder)trans-115.4137-178.8-74.379.1000111.6E57 L79 L137E57-W59 PolarHBondContact OE2-NE1 3.33Å; W59-L79 HydrophobicContact CD2-CD2 4.06Å; W59-L79 HydrophobicContact CE3-CD2 4.18Å; W59-L79 HydrophobicContact CH2-CB 3.66Å; W59-L79 HydrophobicContact CH2-CD2 4.15Å; W59-L79 HydrophobicContact CH2-CG 4.33Å; W59-L79 WeakPolarHBondContact CH2-O 3.38Å; W59-L79 HydrophobicContact CZ2-CB 3.82Å; W59-L79 HydrophobicContact CZ2-CD1 3.91Å; W59-L79 HydrophobicContact CZ2-CD2 4Å; W59-L79 HydrophobicContact CZ2-CG 4.11Å; W59-L79 HydrophobicContact CZ3-CB 4.31Å; W59-L79 HydrophobicContact CZ3-CD2 4.22Å; W59-L79 WeakPolarHBondContact CZ3-O 3.19Å; W59-L137 HydrophobicContact CE3-CD2 4.12Å; W59-L137 HydrophobicContact CE3-CG 3.96Å; W59-L137 HydrophobicContact CZ3-CD2 4.06Å; W59-L137 HydrophobicContact CZ3-CG 4.4Å
60L95.3Very high92.6Very high56 Ų5683.4 Ų83.429%0.29345%0.452SS..EExtended strand (participates in β ladder)trans-91.5134.8170.9-177.258.2000109.1A111 L114 F133 G135 L136 L137L60-A111 HydrophobicContact CB-CB 4.43Å; L60-A111 HydrophobicContact CD2-CB 4.28Å; L60-L114 HydrophobicContact CD2-CD1 3.54Å; L60-F133 HydrophobicContact CB-CD1 3.76Å; L60-F133 HydrophobicContact CB-CE1 3.92Å; L60-F133 HydrophobicContact CB-CG 4.15Å; L60-F133 HydrophobicContact CB-CZ 4.42Å; L60-F133 HydrophobicContact CD1-CE1 4.42Å; L60-F133 HydrophobicContact CD1-CZ 4.4Å; L60-G135 PolarHBondContact N-O 2.82Å; L60-L136 HydrophobicContact CB-CD1 3.82Å; L60-L136 HydrophobicContact CD2-CD1 3.92Å; L60-L136 HydrophobicContact CG-CD1 3.72Å; L60-L136 CarbonylContact O-C 3.23Å; L60-L136 WeakPolarHBondContact O-CA 3.4Å; L60-L136 WeakPolarHBondContact O-CD1 3.13Å; L60-L137 PolarHBondContact O-N 3.11Å
61I95.1Very high92.4Very high97 Ų9777.9 Ų77.950%0.49743%0.432SS..EExtended strand (participates in β ladder)trans-116.8121.1177-54.1-179.8000108.7L137 I139I61-L137 WeakPolarHBondContact CA-O 3.46Å; I61-L137 HydrophobicContact CD1-CD1 4.44Å; I61-L137 HydrophobicContact CG1-CB 4.3Å; I61-L137 HydrophobicContact CG1-CD1 4.26Å; I61-L137 HydrophobicContact CG2-CB 4.49Å; I61-I139 HydrophobicContact CG2-CD1 3.8Å; I61-I139 HydrophobicContact CG2-CG1 4.39Å
62K95.6Very high92.4Very high140 Ų14078 Ų7861%0.60943%0.432SS*.EExtended strand (participates in β ladder)trans-106.1121.6171.4177.7173.5167.6-168.30108.9L136 L137 N138 I139K62-L136 HydrophobicContact CB-CD1 4.36Å; K62-L137 PolarHBondContact N-O 3.28Å; K62-N138 WeakPolarHBondContact CD-OD1 3.36Å; K62-I139 PolarHBondContact O-N 3.41Å
63A95.7Very high92.3Very high40 Ų4079.8 Ų79.833%0.33145%0.445SS..  trans-142161.2-179.300000111.2F67 I139A63-F67 HydrophobicContact CB-CB 3.75Å; A63-F67 HydrophobicContact CB-CD1 3.57Å; A63-F67 HydrophobicContact CB-CD2 4.32Å; A63-F67 HydrophobicContact CB-CE1 4.22Å; A63-F67 HydrophobicContact CB-CG 3.63Å; A63-I139 HydrophobicContact CB-CB 4.06Å; A63-I139 HydrophobicContact CB-CD1 4.48Å
64P93.4Very high92.1Very high46 Ų4680 Ų8030%0.29946%0.457SS..  trans-58.6154.9171-2333.6000111.7S66 F67 I139P64-S66 PolarHBondContact O-N 3.31Å; P64-F67 WeakPolarHBondContact O-CB 3.32Å; P64-F67 PolarHBondContact O-N 3.22Å; P64-I139 WeakPolarHBondContact CD-O 3.31Å
65S93.4Very high92.2Very high135 Ų13574.6 Ų74.694%0.94443%0.428SS*.THydrogen-bonded Turntrans-63.8-22.3175.356.60000113.6F67S65-F67 VanDerWaalsContact C-N 3.32Å
66S89.3Confident92.3Very high77 Ų7776 Ų7654%0.53843%0.427SS..THydrogen-bonded Turntrans-81.7-7.8174.953.60000113.8P64 N68P64-S66 PolarHBondContact O-N 3.31Å; S66-N68 PolarHBondContact O-N 3Å
67F90.7Very high92.2Very high36 Ų3675.8 Ų75.816%0.15842%0.422CS..  trans-68.5127.2-178.9174.9-103.5000110.9A63 P64 S65 P69 F72 Y102 I139A63-F67 HydrophobicContact CB-CB 3.75Å; A63-F67 HydrophobicContact CB-CD1 3.57Å; A63-F67 HydrophobicContact CB-CD2 4.32Å; A63-F67 HydrophobicContact CB-CE1 4.22Å; A63-F67 HydrophobicContact CB-CG 3.63Å; P64-F67 WeakPolarHBondContact O-CB 3.32Å; P64-F67 PolarHBondContact O-N 3.22Å; S65-F67 VanDerWaalsContact C-N 3.32Å; F67-P69 HydrophobicContact CE1-CB 3.97Å; F67-F72 HydrophobicContact CD2-CE2 4.28Å; F67-F72 AromaticContact CE2-CD2 3.47Å; F67-F72 HydrophobicContact CE2-CD2 3.47Å; F67-F72 VanDerWaalsContact CE2-CD2 3.47Å; F67-F72 AromaticContact CE2-CE2 3.37Å; F67-F72 HydrophobicContact CE2-CE2 3.37Å; F67-F72 HydrophobicContact CE2-CG 4.42Å; F67-F72 HydrophobicContact CE2-CZ 4.19Å; F67-F72 AromaticContact CZ-CD2 3.73Å; F67-F72 HydrophobicContact CZ-CD2 3.73Å; F67-F72 HydrophobicContact CZ-CE2 4.1Å; F67-F72 HydrophobicContact CZ-CG 4.38Å; F67-Y102 HydrophobicContact CD2-CD1 4.47Å; F67-Y102 AromaticContact CD2-CE1 3.83Å; F67-Y102 HydrophobicContact CD2-CE1 3.83Å; F67-Y102 HydrophobicContact CE2-CE1 4.42Å; F67-I139 HydrophobicContact CD2-CG2 3.96Å; F67-I139 HydrophobicContact CE1-CD1 4.08Å; F67-I139 HydrophobicContact CE2-CD1 3.75Å; F67-I139 HydrophobicContact CE2-CG2 3.82Å; F67-I139 HydrophobicContact CZ-CD1 3.49Å; F67-I139 VanDerWaalsContact CZ-CD1 3.49Å
68N90.1Very high92.3Very high33 Ų3370.8 Ų70.818%0.17640%0.4CS..  trans-99.2116.1167.8-173.9-12.3000110.2S66 D70 S71 Q90S66-N68 PolarHBondContact O-N 3Å; N68-D70 PolarHBondContact O-N 2.74Å; N68-D70 WeakPolarHBondContact OD1-CB 3.49Å; N68-D70 PolarHBondContact OD1-N 2.89Å; N68-D70 PolarHBondContact OD1-OD2 2.71Å; N68-S71 PolarHBondContact O-N 3.05Å; N68-S71 PolarHBondContact O-OG 3.13Å; N68-Q90 HydrophobicContact CB-CG 4.12Å; N68-Q90 PolarHBondContact ND2-NE2 3.42Å; N68-Q90 PolarHBondContact ND2-OE1 3.3Å
69P91.8Very high92.3Very high82 Ų8273.3 Ų73.353%0.53241%0.413SS..G310 helixtrans-58.8-29.9175.724.6-34.3000113.8F67 S71 F72F67-P69 HydrophobicContact CE1-CB 3.97Å; P69-S71 PolarHBondContact O-N 3.18Å; P69-F72 PolarHBondContact O-N 3Å; P69-F72 VanDerWaalsContact O-N 3.08Å
70D92.2Very high92.2Very high114 Ų11475 Ų7561%0.6143%0.434SS*.G310 helixtrans-65.4-25.4-178.4-63.7-33.4000112.6N68 F72 S73N68-D70 PolarHBondContact O-N 2.74Å; N68-D70 WeakPolarHBondContact OD1-CB 3.49Å; N68-D70 PolarHBondContact OD1-N 2.89Å; N68-D70 PolarHBondContact OD1-OD2 2.71Å; D70-F72 PolarHBondContact O-N 3.4Å; D70-F72 VanDerWaalsContact O-N 3.14Å; D70-S73 VanDerWaalsContact O-CB 3.31Å; D70-S73 WeakPolarHBondContact O-CB 3.46Å; D70-S73 PolarHBondContact O-N 3.16Å; D70-S73 VanDerWaalsContact O-N 3.14Å; D70-S73 PolarHBondContact O-OG 3.41Å
71S89.6Confident92.2Very high9 Ų974.3 Ų74.36%0.06344%0.441CS..G310 helixtrans-67.1-13.5177.173.80000112.8N68 P69 P88N68-S71 PolarHBondContact O-N 3.05Å; N68-S71 PolarHBondContact O-OG 3.13Å; P69-S71 PolarHBondContact O-N 3.18Å; S71-P88 WeakPolarHBondContact O-CD 3.43Å
72F91.5Very high92.1Very high16 Ų1675.6 Ų75.67%0.0745%0.448CS..G310 helixtrans-105.82.5177.3-76.6-99.5000113.8F67 P69 D70 S74 L75 M77 M85 A87 Y102F67-F72 HydrophobicContact CD2-CE2 4.28Å; F67-F72 AromaticContact CE2-CD2 3.47Å; F67-F72 HydrophobicContact CE2-CD2 3.47Å; F67-F72 VanDerWaalsContact CE2-CD2 3.47Å; F67-F72 AromaticContact CE2-CE2 3.37Å; F67-F72 HydrophobicContact CE2-CE2 3.37Å; F67-F72 HydrophobicContact CE2-CG 4.42Å; F67-F72 HydrophobicContact CE2-CZ 4.19Å; F67-F72 AromaticContact CZ-CD2 3.73Å; F67-F72 HydrophobicContact CZ-CD2 3.73Å; F67-F72 HydrophobicContact CZ-CE2 4.1Å; F67-F72 HydrophobicContact CZ-CG 4.38Å; P69-F72 PolarHBondContact O-N 3Å; P69-F72 VanDerWaalsContact O-N 3.08Å; D70-F72 PolarHBondContact O-N 3.4Å; D70-F72 VanDerWaalsContact O-N 3.14Å; F72-S74 PolarHBondContact O-N 3.14Å; F72-L75 HydrophobicContact CD1-CB 4.08Å; F72-L75 HydrophobicContact CD1-CD1 3.73Å; F72-L75 HydrophobicContact CE1-CD1 4.01Å; F72-L75 HydrophobicContact CG-CD1 4.21Å; F72-L75 PolarHBondContact O-N 3.48Å; F72-M77 HydrophobicContact CD1-CE 3.97Å; F72-M77 HydrophobicContact CD1-CG 4.37Å; F72-M77 HydrophobicContact CD1-SD 3.26Å; F72-M77 WeakPolarHBondContact CD1-SD 3.43Å; F72-M77 HydrophobicContact CE1-CE 4.02Å; F72-M77 HydrophobicContact CE1-SD 3.52Å; F72-M77 VanDerWaalsContact CE1-SD 3.52Å; F72-M77 HydrophobicContact CG-SD 4.31Å; F72-M85 HydrophobicContact CD1-CE 4.42Å; F72-M85 HydrophobicContact CE1-CB 4.24Å; F72-M85 HydrophobicContact CE1-CE 4.32Å; F72-M85 HydrophobicContact CE1-SD 4.26Å; F72-A87 HydrophobicContact CD2-CB 4.22Å; F72-A87 HydrophobicContact CE2-CB 3.7Å; F72-A87 HydrophobicContact CZ-CB 4Å; F72-Y102 AromaticContact CE2-CD2 3.64Å; F72-Y102 HydrophobicContact CE2-CD2 3.64Å; F72-Y102 AromaticContact CE2-CE2 3.71Å; F72-Y102 HydrophobicContact CE2-CE2 3.71Å; F72-Y102 HydrophobicContact CE2-CG 4.08Å; F72-Y102 HydrophobicContact CZ-CD1 4.44Å; F72-Y102 AromaticContact CZ-CD2 3.43Å; F72-Y102 HydrophobicContact CZ-CD2 3.43Å; F72-Y102 VanDerWaalsContact CZ-CD2 3.43Å; F72-Y102 HydrophobicContact CZ-CE2 4.02Å; F72-Y102 AromaticContact CZ-CG 3.66Å; F72-Y102 HydrophobicContact CZ-CG 3.66Å
73S90.2Very high92Very high105 Ų10573.3 Ų73.373%0.73444%0.44SS*.THydrogen-bonded Turntrans-54-28.2-176.954.20000115.2D70D70-S73 VanDerWaalsContact O-CB 3.31Å; D70-S73 WeakPolarHBondContact O-CB 3.46Å; D70-S73 PolarHBondContact O-N 3.16Å; D70-S73 VanDerWaalsContact O-N 3.14Å; D70-S73 PolarHBondContact O-OG 3.41Å
74S88.3Confident91.8Very high102 Ų10275 Ų7571%0.71345%0.446SS*.THydrogen-bonded Turntrans-107.13.4178.556.10000113.9F72F72-S74 PolarHBondContact O-N 3.14Å
75L90.5Very high91.7Very high53 Ų5373.7 Ų73.728%0.27744%0.436SS..  trans-104.3138.8-174.2-61-178.9000111.1F72 M85 Q86 A87F72-L75 HydrophobicContact CD1-CB 4.08Å; F72-L75 HydrophobicContact CD1-CD1 3.73Å; F72-L75 HydrophobicContact CE1-CD1 4.01Å; F72-L75 HydrophobicContact CG-CD1 4.21Å; F72-L75 PolarHBondContact O-N 3.48Å; L75-M85 HydrophobicContact CB-CE 3.7Å; L75-M85 HydrophobicContact CD1-CE 4.31Å; L75-M85 HydrophobicContact CG-CE 4.49Å; L75-Q86 WeakPolarHBondContact CD1-O 3.44Å; L75-A87 HydrophobicContact CD1-CB 4Å
76K92.4Very high91.5Very high190 Ų19070.9 Ų70.983%0.82641%0.408SS*.PPolyproline II helixtrans-86.1119.9172.9-67.7-173.4178.3-175.30109.8M85K76-M85 WeakPolarHBondContact O-CE 3.46Å
77M90.9Very high91.4Very high51 Ų5167.3 Ų67.325%0.25138%0.383SS..PPolyproline II helixtrans-89.1138.8179.6-65.6-67.8-90.200111.2F72 L79 M85 V104 I139F72-M77 HydrophobicContact CD1-CE 3.97Å; F72-M77 HydrophobicContact CD1-CG 4.37Å; F72-M77 HydrophobicContact CD1-SD 3.26Å; F72-M77 WeakPolarHBondContact CD1-SD 3.43Å; F72-M77 HydrophobicContact CE1-CE 4.02Å; F72-M77 HydrophobicContact CE1-SD 3.52Å; F72-M77 VanDerWaalsContact CE1-SD 3.52Å; F72-M77 HydrophobicContact CG-SD 4.31Å; M77-L79 PolarHBondContact O-N 3.45Å; M77-M85 HydrophobicContact SD-CE 3.88Å; M77-M85 HydrophobicContact SD-SD 3.45Å; M77-V104 HydrophobicContact CE-CB 4.21Å; M77-V104 HydrophobicContact CE-CG1 3.52Å; M77-V104 HydrophobicContact CE-CG2 3.59Å; M77-V104 HydrophobicContact SD-CG1 4.31Å; M77-V104 HydrophobicContact SD-CG2 4.04Å; M77-I139 HydrophobicContact CE-CD1 3.52Å; M77-I139 HydrophobicContact CE-CG1 3.9Å
78P92.8Very high91.2Very high18 Ų1869.5 Ų69.512%0.11740%0.401CS..PPolyproline II helixtrans-71.1127.417132.7-38.1000110.1S80 Q83 V104 L137P78-S80 VanDerWaalsContact C-N 3.34Å; P78-Q83 HydrophobicContact CB-CB 4.26Å; P78-Q83 HydrophobicContact CG-CB 3.68Å; P78-V104 HydrophobicContact CG-CB 4.02Å; P78-V104 HydrophobicContact CG-CG1 3.8Å; P78-L137 VanDerWaalsContact O-CD2 3.25Å; P78-L137 WeakPolarHBondContact O-CD2 3.47Å
79L93.4Very high90.7Very high80 Ų8069.7 Ų69.742%0.41941%0.407SS..SBendtrans-83.9-14.7171.3-63.5-175.8000112.4W59 M77 G106 G107 L137W59-L79 HydrophobicContact CD2-CD2 4.06Å; W59-L79 HydrophobicContact CE3-CD2 4.18Å; W59-L79 HydrophobicContact CH2-CB 3.66Å; W59-L79 HydrophobicContact CH2-CD2 4.15Å; W59-L79 HydrophobicContact CH2-CG 4.33Å; W59-L79 WeakPolarHBondContact CH2-O 3.38Å; W59-L79 HydrophobicContact CZ2-CB 3.82Å; W59-L79 HydrophobicContact CZ2-CD1 3.91Å; W59-L79 HydrophobicContact CZ2-CD2 4Å; W59-L79 HydrophobicContact CZ2-CG 4.11Å; W59-L79 HydrophobicContact CZ3-CB 4.31Å; W59-L79 HydrophobicContact CZ3-CD2 4.22Å; W59-L79 WeakPolarHBondContact CZ3-O 3.19Å; M77-L79 PolarHBondContact O-N 3.45Å; L79-G106 CarbonylContact O-C 3.52Å; L79-G106 VanDerWaalsContact O-C 3.26Å; L79-G107 PolarHBondContact O-N 2.9Å; L79-L137 HydrophobicContact CD2-CD1 4.28Å; L79-L137 HydrophobicContact CD2-CD2 4.25Å
80S94Very high89.6Confident95 Ų9571.4 Ų71.466%0.66441%0.408SS*.SBendtrans-138.7143.4177.165.40000111.8P78 G106P78-S80 VanDerWaalsContact C-N 3.34Å; S80-G106 CarbonylContact C-O 3.43Å; S80-G106 WeakPolarHBondContact CA-O 3.13Å
81G94.6Very high88.2Confident41 Ų4174.4 Ų74.442%0.42342%0.418SS..EExtended strand (participates in β ladder)trans78.6-171.8178.400000113.5L105 G106G81-L105 WeakPolarHBondContact O-CA 3.22Å; G81-G106 PolarHBondContact N-O 2.85Å; G81-G106 PolarHBondContact O-N 2.91Å
82L93.7Very high86.4Confident124 Ų12476.3 Ų76.365%0.64943%0.431SS*.EExtended strand (participates in β ladder)trans-108.3129-178.2179.267.6000110V104 L105L82-V104 CarbonylContact C-O 3.56Å; L82-V104 WeakPolarHBondContact CA-O 3.48Å; L82-L105 HydrophobicContact CB-CD1 4.16Å; L82-L105 HydrophobicContact CD1-CB 4.04Å
83Q93.2Very high84.3Confident93 Ų9382.2 Ų82.244%0.43547%0.473SS..EExtended strand (participates in β ladder)trans-136.9136.9174.3-163.5178.1-2.200111.4P78 M85 V104P78-Q83 HydrophobicContact CB-CB 4.26Å; P78-Q83 HydrophobicContact CG-CB 3.68Å; Q83-M85 HydrophobicContact CG-CG 4.32Å; Q83-V104 PolarHBondContact N-O 3.2Å; Q83-V104 PolarHBondContact O-N 3.01Å
84T92.4Very high82.4Confident76 Ų7681.5 Ų81.547%0.46647%0.468SS..EExtended strand (participates in β ladder)trans-86.9129.8168.6-51.80000109.7I101 Y102T84-I101 HydrophobicContact CG2-CG2 3.33Å; T84-Y102 CarbonylContact C-O 3.26Å; T84-Y102 WeakPolarHBondContact CA-O 3.5Å
85M89.6Confident80.5Confident17 Ų1781.3 Ų81.38%0.08448%0.482CS..EExtended strand (participates in β ladder)trans-127.9148.5-177.5-63-174.569.400110.8F72 L75 K76 M77 Q83 I101 Y102 V104F72-M85 HydrophobicContact CD1-CE 4.42Å; F72-M85 HydrophobicContact CE1-CB 4.24Å; F72-M85 HydrophobicContact CE1-CE 4.32Å; F72-M85 HydrophobicContact CE1-SD 4.26Å; L75-M85 HydrophobicContact CB-CE 3.7Å; L75-M85 HydrophobicContact CD1-CE 4.31Å; L75-M85 HydrophobicContact CG-CE 4.49Å; K76-M85 WeakPolarHBondContact O-CE 3.46Å; M77-M85 HydrophobicContact SD-CE 3.88Å; M77-M85 HydrophobicContact SD-SD 3.45Å; Q83-M85 HydrophobicContact CG-CG 4.32Å; M85-I101 WeakPolarHBondContact O-CA 3.31Å; M85-Y102 PolarHBondContact N-O 3.4Å; M85-Y102 PolarHBondContact O-N 3.49Å; M85-V104 HydrophobicContact CG-CG2 4.3Å; M85-V104 HydrophobicContact SD-CB 4.48Å; M85-V104 HydrophobicContact SD-CG2 3.9Å
86Q89.8Confident78.8Confident77 Ų7780.4 Ų80.436%0.3649%0.486SS..EExtended strand (participates in β ladder)trans-110124175.2-62.9-173.1-7.600109.3L75 R99 Q100 I101L75-Q86 WeakPolarHBondContact CD1-O 3.44Å; Q86-R99 HydrophobicContact CB-CB 4.33Å; Q86-Q100 WeakPolarHBondContact CA-O 3.34Å; Q86-I101 HydrophobicContact CG-CG1 4.27Å
87A88.1Confident77.2Confident1 Ų179.4 Ų79.41%0.00849%0.489CS..EExtended strand (participates in β ladder)trans-111.9153.9173.600000110.6F72 L75 A89 R99 Q100 Y102F72-A87 HydrophobicContact CD2-CB 4.22Å; F72-A87 HydrophobicContact CE2-CB 3.7Å; F72-A87 HydrophobicContact CZ-CB 4Å; L75-A87 HydrophobicContact CD1-CB 4Å; A87-A89 PolarHBondContact O-N 3.27Å; A87-R99 CarbonylContact O-C 3.59Å; A87-R99 WeakPolarHBondContact O-CA 3.5Å; A87-Q100 PolarHBondContact N-O 3.24Å; A87-Q100 PolarHBondContact O-N 2.99Å; A87-Y102 HydrophobicContact CB-CD2 4.05Å; A87-Y102 HydrophobicContact CB-CE2 3.9Å
88P86.6Confident76.3Confident83 Ų8381.5 Ų81.554%0.53950%0.502SS..EExtended strand (participates in β ladder)trans-57130.1171.5-20.532.5000110.2S71S71-P88 WeakPolarHBondContact O-CD 3.43Å
89A79.1Confident75.7Confident36 Ų3688.7 Ų88.730%0.29853%0.526SS..  trans-69.9141.2174.400000110.4A87 N98A87-A89 PolarHBondContact O-N 3.27Å; A89-N98 HydrophobicContact CB-CB 4.3Å; A89-N98 WeakPolarHBondContact CB-O 3.38Å; A89-N98 PolarHBondContact N-O 2.8Å
90Q69.1Low75.4Confident118 Ų11886.5 Ų86.555%0.55151%0.514SS*.SBendtrans-74.8-30.1-177-74.2-105.3-71.400112.8N68N68-Q90 HydrophobicContact CB-CG 4.12Å; N68-Q90 PolarHBondContact ND2-NE2 3.42Å; N68-Q90 PolarHBondContact ND2-OE1 3.3Å
91Q62.4Low75.2Confident178 Ų17882.6 Ų82.683%0.83249%0.485SS*.  trans-153116.8-178.8-64.1-178.4-2.600110.4
92S52.2Low75.1Confident49 Ų4980.8 Ų80.834%0.34347%0.466SS..  trans-122.1107.8167.3170.30000107.8S94 N98S92-S94 PolarHBondContact O-N 3Å; S92-S94 PolarHBondContact OG-N 2.82Å; S92-S94 PolarHBondContact OG-O 3.05Å; S92-S94 VanDerWaalsContact OG-O 3.08Å; S92-N98 PolarHBondContact OG-ND2 3.16Å
93C46.7Very low75.1Confident139 Ų13976.4 Ų76.494%0.93945%0.446SS*.SBendtrans-72.94.6171.8-61.50000112.8
94S50.1Low75.2Confident91 Ų9172 Ų7264%0.63643%0.425SS*.SBendtrans-140.484.6-174.8175.20000109.7S92 G96S92-S94 PolarHBondContact O-N 3Å; S92-S94 PolarHBondContact OG-N 2.82Å; S92-S94 PolarHBondContact OG-O 3.05Å; S92-S94 VanDerWaalsContact OG-O 3.08Å; S94-G96 PolarHBondContact O-N 2.81Å
95G48Very low75.3Confident97 Ų9772.4 Ų72.4100%142%0.424SS*.SBendtrans36.36.1148.300000122.7
96G56.1Low75.5Confident35 Ų3571.9 Ų71.936%0.36142%0.423SS..SBendtrans-117.6151-173.300000111.1S94 N98S94-G96 PolarHBondContact O-N 2.81Å; G96-N98 PolarHBondContact O-N 2.8Å
97N59.4Low75.7Confident168 Ų16869 Ų6990%0.89841%0.413SS*.  trans-68.665.1172.4-67.7-31.9000110.3R99N97-R99 PolarHBondContact O-N 2.94Å; N97-R99 VanDerWaalsContact O-N 3.13Å
98N70.1Confident75.8Confident96 Ų9674 Ų7451%0.51345%0.446SS..  trans-73.7109.1179.3-70.2-9.7000107.4A89 S92 G96A89-N98 HydrophobicContact CB-CB 4.3Å; A89-N98 WeakPolarHBondContact CB-O 3.38Å; A89-N98 PolarHBondContact N-O 2.8Å; S92-N98 PolarHBondContact OG-ND2 3.16Å; G96-N98 PolarHBondContact O-N 2.8Å
99R81.9Confident75.3Confident168 Ų16875.1 Ų75.163%0.63446%0.456SS*.EExtended strand (participates in β ladder)trans-95.8133.8167.7-69-178.4173.2-171.7-3.5107.3Q86 A87 N97Q86-R99 HydrophobicContact CB-CB 4.33Å; A87-R99 CarbonylContact O-C 3.59Å; A87-R99 WeakPolarHBondContact O-CA 3.5Å; N97-R99 PolarHBondContact O-N 2.94Å; N97-R99 VanDerWaalsContact O-N 3.13Å
100Q86.5Confident75.1Confident35 Ų3576 Ų7616%0.16447%0.469CS..EExtended strand (participates in β ladder)trans-84.3131.3174.8-163.1170.61700108.3Q86 A87 Y102 E141Q86-Q100 WeakPolarHBondContact CA-O 3.34Å; A87-Q100 PolarHBondContact N-O 3.24Å; A87-Q100 PolarHBondContact O-N 2.99Å; Q100-Y102 HydrophobicContact CB-CD2 4.41Å; Q100-Y102 HydrophobicContact CB-CE2 3.72Å; Q100-Y102 VanDerWaalsContact CD-CZ 3.44Å; Q100-Y102 HydrophobicContact CG-CD2 4.32Å; Q100-Y102 HydrophobicContact CG-CE2 3.59Å; Q100-Y102 PolarHBondContact NE2-OH 2.82Å; Q100-Y102 PolarHBondContact OE1-OH 3.22Å; Q100-E141 HydrophobicContact CG-CG 4.23Å; Q100-E141 PolarHBondContact NE2-OE1 3.41Å; Q100-E141 PolarHBondContact NE2-OE2 2.95Å
101I88.9Confident75.8Confident12 Ų1270.6 Ų70.66%0.06244%0.444CS..EExtended strand (participates in β ladder)trans-101.2128.9-176.3-53175.1000107.3T84 M85 Q86 S142 G144T84-I101 HydrophobicContact CG2-CG2 3.33Å; M85-I101 WeakPolarHBondContact O-CA 3.31Å; Q86-I101 HydrophobicContact CG-CG1 4.27Å; I101-S142 VanDerWaalsContact C-OG 3.29Å; I101-S142 VanDerWaalsContact CG2-OG 3.28Å; I101-S142 WeakPolarHBondContact CG2-OG 3.38Å; I101-S142 PolarHBondContact O-N 2.82Å; I101-S142 VanDerWaalsContact O-O 3.13Å; I101-S142 PolarHBondContact O-OG 2.89Å; I101-S142 VanDerWaalsContact O-OG 3.07Å; I101-G144 WeakPolarHBondContact CD1-O 3Å
102Y92.2Very high76.9Confident3 Ų365.3 Ų65.31%0.01243%0.431CS..EExtended strand (participates in β ladder)trans-121.5141.5179.8-68.3-87.2000109.8F67 F72 T84 M85 A87 Q100 I139 C140 E141F67-Y102 HydrophobicContact CD2-CD1 4.47Å; F67-Y102 AromaticContact CD2-CE1 3.83Å; F67-Y102 HydrophobicContact CD2-CE1 3.83Å; F67-Y102 HydrophobicContact CE2-CE1 4.42Å; F72-Y102 AromaticContact CE2-CD2 3.64Å; F72-Y102 HydrophobicContact CE2-CD2 3.64Å; F72-Y102 AromaticContact CE2-CE2 3.71Å; F72-Y102 HydrophobicContact CE2-CE2 3.71Å; F72-Y102 HydrophobicContact CE2-CG 4.08Å; F72-Y102 HydrophobicContact CZ-CD1 4.44Å; F72-Y102 AromaticContact CZ-CD2 3.43Å; F72-Y102 HydrophobicContact CZ-CD2 3.43Å; F72-Y102 VanDerWaalsContact CZ-CD2 3.43Å; F72-Y102 HydrophobicContact CZ-CE2 4.02Å; F72-Y102 AromaticContact CZ-CG 3.66Å; F72-Y102 HydrophobicContact CZ-CG 3.66Å; T84-Y102 CarbonylContact C-O 3.26Å; T84-Y102 WeakPolarHBondContact CA-O 3.5Å; M85-Y102 PolarHBondContact N-O 3.4Å; M85-Y102 PolarHBondContact O-N 3.49Å; A87-Y102 HydrophobicContact CB-CD2 4.05Å; A87-Y102 HydrophobicContact CB-CE2 3.9Å; Q100-Y102 HydrophobicContact CB-CD2 4.41Å; Q100-Y102 HydrophobicContact CB-CE2 3.72Å; Q100-Y102 VanDerWaalsContact CD-CZ 3.44Å; Q100-Y102 HydrophobicContact CG-CD2 4.32Å; Q100-Y102 HydrophobicContact CG-CE2 3.59Å; Q100-Y102 PolarHBondContact NE2-OH 2.82Å; Q100-Y102 PolarHBondContact OE1-OH 3.22Å; Y102-I139 HydrophobicContact CD1-CG2 3.68Å; Y102-I139 HydrophobicContact CE1-CG2 4.33Å; Y102-I139 HydrophobicContact CG-CG2 4.32Å; Y102-C140 CarbonylContact C-O 3.55Å; Y102-C140 VanDerWaalsContact CA-O 3.29Å; Y102-C140 WeakPolarHBondContact CA-O 3.44Å; Y102-E141 HydrophobicContact CD1-CB 4.34Å; Y102-E141 HydrophobicContact CE1-CB 4.23Å
103S93.9Very high78.7Confident33 Ų3370.4 Ų70.423%0.23145%0.454CS..EExtended strand (participates in β ladder)trans-99122.9165.1-64.90000108.6C140S103-C140 PolarHBondContact N-O 3.44Å; S103-C140 PolarHBondContact O-N 3.46Å
104V95.1Very high80.9Confident0 Ų067.8 Ų67.80%043%0.43CS..EExtended strand (participates in β ladder)trans-113.7118.8-178.2-175.20000108.5M77 P78 L82 Q83 M85 N138 I139M77-V104 HydrophobicContact CE-CB 4.21Å; M77-V104 HydrophobicContact CE-CG1 3.52Å; M77-V104 HydrophobicContact CE-CG2 3.59Å; M77-V104 HydrophobicContact SD-CG1 4.31Å; M77-V104 HydrophobicContact SD-CG2 4.04Å; P78-V104 HydrophobicContact CG-CB 4.02Å; P78-V104 HydrophobicContact CG-CG1 3.8Å; L82-V104 CarbonylContact C-O 3.56Å; L82-V104 WeakPolarHBondContact CA-O 3.48Å; Q83-V104 PolarHBondContact N-O 3.2Å; Q83-V104 PolarHBondContact O-N 3.01Å; M85-V104 HydrophobicContact CG-CG2 4.3Å; M85-V104 HydrophobicContact SD-CB 4.48Å; M85-V104 HydrophobicContact SD-CG2 3.9Å; V104-N138 WeakPolarHBondContact CA-O 3.47Å; V104-I139 HydrophobicContact CG1-CG1 4.48Å; V104-I139 HydrophobicContact CG2-CG1 4.49Å
105L95.1Very high83Confident85 Ų8568 Ų6845%0.44542%0.421SS..EExtended strand (participates in β ladder)trans-113114.5175.817565.7000109.3G81 L82 N138G81-L105 WeakPolarHBondContact O-CA 3.22Å; L82-L105 HydrophobicContact CB-CD1 4.16Å; L82-L105 HydrophobicContact CD1-CB 4.04Å; L105-N138 HydrophobicContact CB-CB 4.33Å; L105-N138 PolarHBondContact N-O 3.48Å; L105-N138 PolarHBondContact O-N 3.45Å
106G95.1Very high85.2Confident6 Ų665.6 Ų65.66%0.06239%0.385CS..EExtended strand (participates in β ladder)trans-110.5148.4175.700000112.8L79 S80 G81 L136L79-G106 CarbonylContact O-C 3.52Å; L79-G106 VanDerWaalsContact O-C 3.26Å; S80-G106 CarbonylContact C-O 3.43Å; S80-G106 WeakPolarHBondContact CA-O 3.13Å; G81-G106 PolarHBondContact N-O 2.85Å; G81-G106 PolarHBondContact O-N 2.91Å; G106-L136 WeakPolarHBondContact CA-O 3.38Å
107G93.8Very high87Confident15 Ų1568.9 Ų68.916%0.15539%0.394CS..EExtended strand (participates in β ladder)trans-175.1166.1168.300000113.9L79 S109 G135 L136L79-G107 PolarHBondContact O-N 2.9Å; G107-S109 PolarHBondContact O-N 2.9Å; G107-G135 VanDerWaalsContact O-CA 3.31Å; G107-G135 WeakPolarHBondContact O-CA 3.26Å; G107-L136 PolarHBondContact N-O 2.85Å; G107-L136 VanDerWaalsContact N-O 3.16Å; G107-L136 PolarHBondContact O-N 2.78Å
108P90.4Very high88.6Confident108 Ų10861 Ų6170%0.70135%0.352SS*.SBendtrans-75.7-13.1179.831.7-36.1000113.1
109S76Confident89.8Confident106 Ų10656.6 Ų56.674%0.74133%0.328SS*.SBendtrans-96.5137.9-176.4-173.50000111.2G107G107-S109 PolarHBondContact O-N 2.9Å
110G74.2Confident90.2Very high55 Ų5551.1 Ų51.157%0.56731%0.31SS*.SBendtrans122.4-3.1169.300000116.6
111A83.8Confident90.1Very high3 Ų351.8 Ų51.83%0.02532%0.318CS..  trans-137.716.7179.800000114.3L60 D113 L114 F133 L136L60-A111 HydrophobicContact CB-CB 4.43Å; L60-A111 HydrophobicContact CD2-CB 4.28Å; A111-D113 VanDerWaalsContact C-N 3.3Å; A111-D113 PolarHBondContact O-N 3.48Å; A111-L114 HydrophobicContact CB-CD1 4.23Å; A111-L114 PolarHBondContact O-N 3.26Å; A111-L114 VanDerWaalsContact O-N 3.11Å; A111-F133 HydrophobicContact CB-CB 3.76Å; A111-F133 HydrophobicContact CB-CD2 4.21Å; A111-F133 HydrophobicContact CB-CG 4.18Å; A111-L136 HydrophobicContact CB-CB 4.41Å
112A84.5Confident89.9Confident68 Ų6858.6 Ų58.656%0.56235%0.349SS*.THydrogen-bonded Turntrans-63.9-32.6-176.600000113.5L114A112-L114 VanDerWaalsContact C-N 3.3Å
113D90.3Very high89.5Confident155 Ų15561.4 Ų61.483%0.82937%0.366SS*.THydrogen-bonded Turntrans-86.8-1.8178.5-56.8-37.5000112.9A111A111-D113 VanDerWaalsContact C-N 3.3Å; A111-D113 PolarHBondContact O-N 3.48Å
114L93.4Very high88.7Confident84 Ų8464.8 Ų64.844%0.4438%0.382SS..  trans-99137.4-179-59178.7000109.5L60 A111 A112 F133L60-L114 HydrophobicContact CD2-CD1 3.54Å; A111-L114 HydrophobicContact CB-CD1 4.23Å; A111-L114 PolarHBondContact O-N 3.26Å; A111-L114 VanDerWaalsContact O-N 3.11Å; A112-L114 VanDerWaalsContact C-N 3.3Å; L114-F133 HydrophobicContact CB-CD2 3.83Å; L114-F133 HydrophobicContact CB-CE2 3.85Å; L114-F133 VanDerWaalsContact O-CD2 3.23Å; L114-F133 WeakPolarHBondContact O-CD2 3.35Å
115H94.2Very high87.9Confident95 Ų9572.6 Ų72.644%0.4442%0.423SS..EExtended strand (participates in β ladder)trans-128.3138.3178.1-67.9-88.2000109.7L117 C129 A130H115-L117 PolarHBondContact O-N 2.86Å; H115-C129 HydrophobicContact CB-CB 4.32Å; H115-A130 PolarHBondContact ND1-O 3.37Å
116L94.3Very high87.5Confident47 Ų4773.8 Ų73.825%0.24643%0.429CS..EExtended strand (participates in β ladder)trans-73.1125.9170.2172.567.3000109.3T46 L58 A130 F133T46-L116 HydrophobicContact CG2-CD2 4.45Å; L58-L116 HydrophobicContact CD1-CD2 4.05Å; L58-L116 HydrophobicContact CD2-CB 3.91Å; L58-L116 HydrophobicContact CD2-CD2 4.45Å; L116-A130 HydrophobicContact CB-CB 3.91Å; L116-A130 WeakPolarHBondContact O-CB 3.29Å; L116-A130 PolarHBondContact O-N 3.24Å; L116-F133 HydrophobicContact CB-CZ 4.22Å
117L94.1Very high87.3Confident105 Ų10578.2 Ų78.255%0.5546%0.455SS..EExtended strand (participates in β ladder)trans-82.1117.7167.5-62.6-177.4000108.9H115 V127H115-L117 PolarHBondContact O-N 2.86Å; L117-V127 HydrophobicContact CB-CG1 3.75Å; L117-V127 HydrophobicContact CD1-CG1 4.47Å; L117-V127 HydrophobicContact CD2-CG1 4.17Å; L117-V127 HydrophobicContact CG-CG1 4.34Å
118T93.8Very high87.3Confident2 Ų279.7 Ų79.71%0.01246%0.461CS..EExtended strand (participates in β ladder)trans-138.7-173.5-177.9-168.60000110.8T46 I48 V127 V128 A130T46-T118 VanDerWaalsContact O-CB 3.3Å; T46-T118 WeakPolarHBondContact O-CB 3.43Å; T46-T118 PolarHBondContact O-OG1 3.38Å; I48-T118 HydrophobicContact CB-CG2 4.15Å; I48-T118 HydrophobicContact CD1-CG2 4.27Å; T118-V127 CarbonylContact O-C 3.46Å; T118-V127 WeakPolarHBondContact O-CA 3.28Å; T118-V128 HydrophobicContact CG2-CG2 4.04Å; T118-V128 PolarHBondContact N-O 2.75Å; T118-V128 WeakPolarHBondContact O-CG2 3.36Å; T118-V128 PolarHBondContact O-N 3.08Å; T118-A130 HydrophobicContact CG2-CB 4.33Å
119S93.2Very high87.4Confident3 Ų378.6 Ų78.62%0.02146%0.455CS..EExtended strand (participates in β ladder)trans-123.8161.9179.4-54.40000111.3P42 L47 I48 L124 L126P42-S119 WeakPolarHBondContact CG-OG 3.25Å; L47-S119 WeakPolarHBondContact CD2-O 3.29Å; I48-S119 PolarHBondContact N-O 2.68Å; S119-L124 PolarHBondContact OG-O 3.07Å; S119-L124 VanDerWaalsContact OG-O 3.05Å; S119-L126 PolarHBondContact OG-O 2.8Å
120H90.3Very high88.3Confident54 Ų5473.7 Ų73.725%0.2542%0.421CS..EExtended strand (participates in β ladder)trans-83.8142165.9-156.9-61.7000109.5I48 E49 Q122 T123 L124I48-H120 HydrophobicContact CG2-CB 4.18Å; E49-H120 IonicContact OE1-CE1 3Å; E49-H120 PolarHBondContact OE1-CE1 3.43Å; E49-H120 IonicContact OE1-ND1 3.57Å; E49-H120 IonicContact OE1-NE2 3.9Å; H120-Q122 PolarHBondContact ND1-N 2.83Å; H120-Q122 PolarHBondContact O-N 2.74Å; H120-Q122 VanDerWaalsContact O-N 3.11Å; H120-T123 VanDerWaalsContact CB-OG1 3.29Å; H120-T123 WeakPolarHBondContact CB-OG1 3.33Å; H120-T123 CarbonylContact O-C 3.51Å; H120-T123 VanDerWaalsContact O-C 3.23Å; H120-T123 PolarHBondContact O-N 3.48Å; H120-T123 VanDerWaalsContact O-N 3.1Å; H120-L124 PolarHBondContact O-N 2.98Å
121P85.8Confident89.1Confident49 Ų4974 Ų7432%0.31841%0.413SS..THydrogen-bonded Turntrans-57-26.3175.215.8-29.6000114.4L47 E49L47-P121 HydrophobicContact CD1-CB 4.1Å; E49-P121 HydrophobicContact CG-CG 3.99Å; E49-P121 WeakPolarHBondContact OE1-CG 3.3Å; E49-P121 WeakPolarHBondContact OE2-CG 3.33Å
122Q85Confident89.6Confident155 Ų15575.9 Ų75.972%0.72443%0.428SS*.THydrogen-bonded Turntrans-90-20.3-178-60.1169.520.900112.1H120H120-Q122 PolarHBondContact ND1-N 2.83Å; H120-Q122 PolarHBondContact O-N 2.74Å; H120-Q122 VanDerWaalsContact O-N 3.11Å
123T83.8Confident90.1Very high61 Ų6174 Ų7437%0.37441%0.408SS..EExtended strand (participates in β ladder)trans-136.568.5-178.153.30000110H120 D125 L126H120-T123 VanDerWaalsContact CB-OG1 3.29Å; H120-T123 WeakPolarHBondContact CB-OG1 3.33Å; H120-T123 CarbonylContact O-C 3.51Å; H120-T123 VanDerWaalsContact O-C 3.23Å; H120-T123 PolarHBondContact O-N 3.48Å; H120-T123 VanDerWaalsContact O-N 3.1Å; T123-D125 PolarHBondContact O-N 2.86Å; T123-D125 VanDerWaalsContact O-N 3.17Å; T123-L126 HydrophobicContact CG2-CD1 4.28Å; T123-L126 PolarHBondContact O-N 3.41Å
124L77.3Confident90.2Very high105 Ų10569 Ų6955%0.5539%0.385SS..EExtended strand (participates in β ladder)trans-60.3-27.7-175.7-66.6174.2000113.6L47 S119 H120 L126L47-L124 HydrophobicContact CD2-CD2 4.39Å; S119-L124 PolarHBondContact OG-O 3.07Å; S119-L124 VanDerWaalsContact OG-O 3.05Å; H120-L124 PolarHBondContact O-N 2.98Å; L124-L126 VanDerWaalsContact C-N 3.31Å
125D78.4Confident90.3Very high163 Ų16365 Ų6587%0.87236%0.364SS*.EExtended strand (participates in β ladder)trans-79.9-10.5179.8-68.8-16.9000113.6T123T123-D125 PolarHBondContact O-N 2.86Å; T123-D125 VanDerWaalsContact O-N 3.17Å
126L86.4Confident90.4Very high110 Ų11061.6 Ų61.658%0.57635%0.349SS*.EExtended strand (participates in β ladder)trans-100.4126.7176.9-68176000110.3S119 T123 L124S119-L126 PolarHBondContact OG-O 2.8Å; T123-L126 HydrophobicContact CG2-CD1 4.28Å; T123-L126 PolarHBondContact O-N 3.41Å; L124-L126 VanDerWaalsContact C-N 3.31Å
127V90.7Very high90.4Very high99 Ų9959.9 Ų59.960%0.634%0.34SS*.EExtended strand (participates in β ladder)trans-87.9130.8174.3-177.60000109.2L117 T118L117-V127 HydrophobicContact CB-CG1 3.75Å; L117-V127 HydrophobicContact CD1-CG1 4.47Å; L117-V127 HydrophobicContact CD2-CG1 4.17Å; L117-V127 HydrophobicContact CG-CG1 4.34Å; T118-V127 CarbonylContact O-C 3.46Å; T118-V127 WeakPolarHBondContact O-CA 3.28Å
128V93.1Very high90.5Very high47 Ų4756.8 Ų56.829%0.28532%0.324SS..EExtended strand (participates in β ladder)trans-125155.2177.2-61.20000110.2I48 T118I48-V128 HydrophobicContact CB-CG2 4.05Å; I48-V128 HydrophobicContact CD1-CG2 4.35Å; I48-V128 HydrophobicContact CG1-CG2 4.19Å; I48-V128 HydrophobicContact CG2-CG2 4.45Å; T118-V128 HydrophobicContact CG2-CG2 4.04Å; T118-V128 PolarHBondContact N-O 2.75Å; T118-V128 WeakPolarHBondContact O-CG2 3.36Å; T118-V128 PolarHBondContact O-N 3.08Å
129C93.4Very high90.5Very high84 Ų8457 Ų5757%0.56833%0.325SS*.EExtended strand (participates in β ladder)trans-88.4127.7174.5-60.80000110.1H115H115-C129 HydrophobicContact CB-CB 4.32Å
130A93.4Very high90.5Very high4 Ų460.2 Ų60.23%0.03335%0.346CS..EExtended strand (participates in β ladder)trans-72.3168.616900000111.4I48 V51 L58 H115 L116 T118I48-A130 HydrophobicContact CD1-CB 4.2Å; V51-A130 HydrophobicContact CG1-CB 4.25Å; L58-A130 HydrophobicContact CD2-CB 4.47Å; H115-A130 PolarHBondContact ND1-O 3.37Å; L116-A130 HydrophobicContact CB-CB 3.91Å; L116-A130 WeakPolarHBondContact O-CB 3.29Å; L116-A130 PolarHBondContact O-N 3.24Å; T118-A130 HydrophobicContact CG2-CB 4.33Å
131P92.4Very high90.5Very high60 Ų6060 Ų6039%0.3935%0.346SS..EExtended strand (participates in β ladder)trans-53.4163.4166.7-24.335000112.5
132A93.3Very high90.4Very high43 Ų4359.2 Ų59.236%0.35534%0.341SS..EExtended strand (participates in β ladder)trans-61.6152.6174.500000111S134A132-S134 PolarHBondContact O-N 2.92Å
133F95Very high89.8Confident29 Ų2960.9 Ų60.913%0.12734%0.342CS..PPolyproline II helixtrans-62.6135.4175.5-69.7-90.3000111.1L58 L60 A111 L114 L116 G135L58-F133 HydrophobicContact CB-CD1 4.34Å; L58-F133 HydrophobicContact CD1-CE1 4.21Å; L58-F133 HydrophobicContact CD2-CD1 3.75Å; L58-F133 HydrophobicContact CD2-CE1 3.71Å; L58-F133 HydrophobicContact CD2-CG 4.19Å; L58-F133 HydrophobicContact CD2-CZ 4.11Å; L58-F133 HydrophobicContact CG-CD1 3.51Å; L58-F133 HydrophobicContact CG-CE1 3.61Å; L58-F133 HydrophobicContact CG-CG 4.32Å; L58-F133 HydrophobicContact CG-CZ 4.48Å; L58-F133 CarbonylContact O-C 3.53Å; L58-F133 WeakPolarHBondContact O-CA 3.33Å; L60-F133 HydrophobicContact CB-CD1 3.76Å; L60-F133 HydrophobicContact CB-CE1 3.92Å; L60-F133 HydrophobicContact CB-CG 4.15Å; L60-F133 HydrophobicContact CB-CZ 4.42Å; L60-F133 HydrophobicContact CD1-CE1 4.42Å; L60-F133 HydrophobicContact CD1-CZ 4.4Å; A111-F133 HydrophobicContact CB-CB 3.76Å; A111-F133 HydrophobicContact CB-CD2 4.21Å; A111-F133 HydrophobicContact CB-CG 4.18Å; L114-F133 HydrophobicContact CB-CD2 3.83Å; L114-F133 HydrophobicContact CB-CE2 3.85Å; L114-F133 VanDerWaalsContact O-CD2 3.23Å; L114-F133 WeakPolarHBondContact O-CD2 3.35Å; L116-F133 HydrophobicContact CB-CZ 4.22Å; F133-G135 PolarHBondContact O-N 3.22Å
134S93.9Very high88.8Confident50 Ų5060.3 Ų60.335%0.3535%0.348SS..SBendtrans-63.9-27.8172-50.70000112.2L58 A132L58-S134 PolarHBondContact N-OG 3.23Å; L58-S134 VanDerWaalsContact N-OG 3.14Å; L58-S134 WeakPolarHBondContact O-CB 3.4Å; L58-S134 PolarHBondContact O-N 3.11Å; A132-S134 PolarHBondContact O-N 2.92Å
135G94.6Very high87.9Confident0 Ų060.7 Ų60.70%035%0.351CS..EExtended strand (participates in β ladder)trans-177.6-179.4175.800000114.4L60 G107 F133L60-G135 PolarHBondContact N-O 2.82Å; G107-G135 VanDerWaalsContact O-CA 3.31Å; G107-G135 WeakPolarHBondContact O-CA 3.26Å; F133-G135 PolarHBondContact O-N 3.22Å
136L95.5Very high86.7Confident24 Ų2456.3 Ų56.313%0.12633%0.332CS..EExtended strand (participates in β ladder)trans-126.7133.6-179.7174.367.7000110L60 K62 G106 G107 A111L60-L136 HydrophobicContact CB-CD1 3.82Å; L60-L136 HydrophobicContact CD2-CD1 3.92Å; L60-L136 HydrophobicContact CG-CD1 3.72Å; L60-L136 CarbonylContact O-C 3.23Å; L60-L136 WeakPolarHBondContact O-CA 3.4Å; L60-L136 WeakPolarHBondContact O-CD1 3.13Å; K62-L136 HydrophobicContact CB-CD1 4.36Å; G106-L136 WeakPolarHBondContact CA-O 3.38Å; G107-L136 PolarHBondContact N-O 2.85Å; G107-L136 VanDerWaalsContact N-O 3.16Å; G107-L136 PolarHBondContact O-N 2.78Å; A111-L136 HydrophobicContact CB-CB 4.41Å
137L95.3Very high85.2Confident10 Ų1055.1 Ų55.15%0.05233%0.333CS..EExtended strand (participates in β ladder)trans-106.4123.6167.8-63-178.9000109.6W59 L60 I61 K62 P78 L79W59-L137 HydrophobicContact CE3-CD2 4.12Å; W59-L137 HydrophobicContact CE3-CG 3.96Å; W59-L137 HydrophobicContact CZ3-CD2 4.06Å; W59-L137 HydrophobicContact CZ3-CG 4.4Å; L60-L137 PolarHBondContact O-N 3.11Å; I61-L137 WeakPolarHBondContact CA-O 3.46Å; I61-L137 HydrophobicContact CD1-CD1 4.44Å; I61-L137 HydrophobicContact CG1-CB 4.3Å; I61-L137 HydrophobicContact CG1-CD1 4.26Å; I61-L137 HydrophobicContact CG2-CB 4.49Å; K62-L137 PolarHBondContact N-O 3.28Å; P78-L137 VanDerWaalsContact O-CD2 3.25Å; P78-L137 WeakPolarHBondContact O-CD2 3.47Å; L79-L137 HydrophobicContact CD2-CD1 4.28Å; L79-L137 HydrophobicContact CD2-CD2 4.25Å
138N95.3Very high83.5Confident40 Ų4054 Ų5421%0.21433%0.327CS..EExtended strand (participates in β ladder)trans-104.8118.6169.9-68.2-77.1000109.1K62 V104 L105K62-N138 WeakPolarHBondContact CD-OD1 3.36Å; V104-N138 WeakPolarHBondContact CA-O 3.47Å; L105-N138 HydrophobicContact CB-CB 4.33Å; L105-N138 PolarHBondContact N-O 3.48Å; L105-N138 PolarHBondContact O-N 3.45Å
139I95.4Very high81.7Confident6 Ų658.6 Ų58.63%0.03135%0.35CS..EExtended strand (participates in β ladder)trans-106.3130.3175.6-56.6176.6000107.1I61 K62 A63 P64 F67 M77 Y102 V104I61-I139 HydrophobicContact CG2-CD1 3.8Å; I61-I139 HydrophobicContact CG2-CG1 4.39Å; K62-I139 PolarHBondContact O-N 3.41Å; A63-I139 HydrophobicContact CB-CB 4.06Å; A63-I139 HydrophobicContact CB-CD1 4.48Å; P64-I139 WeakPolarHBondContact CD-O 3.31Å; F67-I139 HydrophobicContact CD2-CG2 3.96Å; F67-I139 HydrophobicContact CE1-CD1 4.08Å; F67-I139 HydrophobicContact CE2-CD1 3.75Å; F67-I139 HydrophobicContact CE2-CG2 3.82Å; F67-I139 HydrophobicContact CZ-CD1 3.49Å; F67-I139 VanDerWaalsContact CZ-CD1 3.49Å; M77-I139 HydrophobicContact CE-CD1 3.52Å; M77-I139 HydrophobicContact CE-CG1 3.9Å; Y102-I139 HydrophobicContact CD1-CG2 3.68Å; Y102-I139 HydrophobicContact CE1-CG2 4.33Å; Y102-I139 HydrophobicContact CG-CG2 4.32Å; V104-I139 HydrophobicContact CG1-CG1 4.48Å; V104-I139 HydrophobicContact CG2-CG1 4.49Å
140C93.1Very high80.2Confident71 Ų7160.9 Ų60.948%0.4835%0.352SS..EExtended strand (participates in β ladder)trans-131.2134.9173.9-63.70000108.8Y102 S103 S142Y102-C140 CarbonylContact C-O 3.55Å; Y102-C140 VanDerWaalsContact CA-O 3.29Å; Y102-C140 WeakPolarHBondContact CA-O 3.44Å; S103-C140 PolarHBondContact N-O 3.44Å; S103-C140 PolarHBondContact O-N 3.46Å; C140-S142 PolarHBondContact O-N 2.88Å
141E90Very high79.2Confident51 Ų5166.2 Ų66.224%0.23838%0.384CS..EExtended strand (participates in β ladder)trans-67.4127.9167.8-174.6175.7-170.200108.4Q100 Y102 Y143Q100-E141 HydrophobicContact CG-CG 4.23Å; Q100-E141 PolarHBondContact NE2-OE1 3.41Å; Q100-E141 PolarHBondContact NE2-OE2 2.95Å; Y102-E141 HydrophobicContact CD1-CB 4.34Å; Y102-E141 HydrophobicContact CE1-CB 4.23Å; E141-Y143 VanDerWaalsContact CD-CZ 3.46Å; E141-Y143 HydrophobicContact CG-CE1 4.02Å; E141-Y143 HydrophobicContact CG-CE2 4.39Å; E141-Y143 VanDerWaalsContact OE1-CE1 3.3Å; E141-Y143 WeakPolarHBondContact OE1-CE1 3.31Å; E141-Y143 PolarHBondContact OE2-OH 3.14Å
142S82.5Confident78.4Confident31 Ų3169.3 Ų69.322%0.21740%0.404CS..  trans-110.3122.8176.452.40000109.1I101 C140I101-S142 VanDerWaalsContact C-OG 3.29Å; I101-S142 VanDerWaalsContact CG2-OG 3.28Å; I101-S142 WeakPolarHBondContact CG2-OG 3.38Å; I101-S142 PolarHBondContact O-N 2.82Å; I101-S142 VanDerWaalsContact O-O 3.13Å; I101-S142 PolarHBondContact O-OG 2.89Å; I101-S142 VanDerWaalsContact O-OG 3.07Å; C140-S142 PolarHBondContact O-N 2.88Å
143Y73.6Confident77.9Confident191 Ų19173.4 Ų73.475%0.74942%0.419SS*.  trans-90126.1176.3-57.7-77000109.8E141E141-Y143 VanDerWaalsContact CD-CZ 3.46Å; E141-Y143 HydrophobicContact CG-CE1 4.02Å; E141-Y143 HydrophobicContact CG-CE2 4.39Å; E141-Y143 VanDerWaalsContact OE1-CE1 3.3Å; E141-Y143 WeakPolarHBondContact OE1-CE1 3.31Å; E141-Y143 PolarHBondContact OE2-OH 3.14Å
144G62.8Low77.4Confident49 Ų4976.3 Ų76.351%0.50545%0.449SS..SBendtrans142.8126.517700000111.8I101 C146I101-G144 WeakPolarHBondContact CD1-O 3Å; G144-C146 PolarHBondContact O-N 2.78Å
145D58.2Low77Confident112 Ų11281 Ų8160%0.59947%0.468SS*.  trans-69.794.3179.2-78.2-25.3000110.8S147 T148D145-S147 PolarHBondContact O-N 3.14Å; D145-S147 VanDerWaalsContact O-N 3.09Å; D145-T148 HydrophobicContact CB-CG2 4.12Å; D145-T148 PolarHBondContact O-N 3.08Å; D145-T148 PolarHBondContact O-OG1 2.91Å
146C53.1Low76.7Confident72 Ų7286.1 Ų86.149%0.48650%0.501SS..THydrogen-bonded Turntrans-63.8-8.7165.5-58.20000112.3G144 T148G144-C146 PolarHBondContact O-N 2.78Å; C146-T148 VanDerWaalsContact C-N 3.25Å
147S55.3Low76.5Confident84 Ų8489.6 Ų89.659%0.58753%0.533SS*.THydrogen-bonded Turntrans-69.6-25.9171.465.70000111.7D145 N149D145-S147 PolarHBondContact O-N 3.14Å; D145-S147 VanDerWaalsContact O-N 3.09Å; S147-N149 PolarHBondContact O-N 3.02Å
148T54.8Low76.1Confident77 Ų7795 Ų9547%0.47257%0.567SS.*  trans-82.27216870.80000108.3D145 C146 Q150D145-T148 HydrophobicContact CB-CG2 4.12Å; D145-T148 PolarHBondContact O-N 3.08Å; D145-T148 PolarHBondContact O-OG1 2.91Å; C146-T148 VanDerWaalsContact C-N 3.25Å; T148-Q150 PolarHBondContact O-N 2.72Å
149N55.1Low75.9Confident143 Ų14398.7 Ų98.777%0.76559%0.593SS**  trans-62.664.6146.9-68.2-74.4000107.1S147 T151S147-N149 PolarHBondContact O-N 3.02Å; N149-T151 VanDerWaalsContact C-N 3.28Å; N149-T151 PolarHBondContact O-N 2.95Å
150Q62Low75.8Confident131 Ų131102.3 Ų102.361%0.61262%0.624SS**  trans-63.8107.4163.2-56.8-151.616.700103.4T148T148-Q150 PolarHBondContact O-N 2.72Å
151T71.3Confident75.7Confident116 Ų116105.1 Ų105.171%0.71264%0.641SS**  trans-42127.7161.1470000106.6N149 I153N149-T151 VanDerWaalsContact C-N 3.28Å; N149-T151 PolarHBondContact O-N 2.95Å; T151-I153 PolarHBondContact O-N 2.78Å
152P75.7Confident75.8Confident125 Ų125108.9 Ų108.981%0.81267%0.668SS**  trans-43.8119.8178.9-28.833.2000108.8A154P152-A154 PolarHBondContact O-N 3.05Å
153I83.1Confident76.1Confident129 Ų129112 Ų11266%0.66269%0.686SS**  trans-65.7112.3-179.2-62.5174000105.4T151 I155T151-I153 PolarHBondContact O-N 2.78Å; I153-I155 PolarHBondContact O-N 3.49Å
154A84.9Confident76.8Confident91 Ų91107.2 Ų107.275%0.75268%0.678SS**  trans-63105.5177.500000108.1P152P152-A154 PolarHBondContact O-N 3.05Å
155I85.4Confident78Confident148 Ų148111.3 Ų111.376%0.75970%0.695SS**PPolyproline II helixtrans-76.1121170-58178.2000105.8I153 A157I153-I155 PolarHBondContact O-N 3.49Å; I155-A157 PolarHBondContact O-N 3.13Å
156P89.3Confident79.3Confident108 Ų108109.3 Ų109.370%0.70170%0.702SS**PPolyproline II helixtrans-57.7140.9176.723.4-31.7000109.3T158P156-T158 PolarHBondContact O-N 3.17Å
157A89.7Confident80.9Confident96 Ų96112.7 Ų112.779%0.79371%0.714SS**PPolyproline II helixtrans-54.5127.2178.900000109.6I155I155-A157 PolarHBondContact O-N 3.13Å
158T88.6Confident82.3Confident124 Ų124118.7 Ų118.776%0.76172%0.724SS**PPolyproline II helixtrans-58.3134.4170.950.30000108.4P156P156-T158 PolarHBondContact O-N 3.17Å
159P91Very high83.7Confident117 Ų117121.9 Ų121.976%0.7673%0.734SS**PPolyproline II helixtrans-57.7151.917825-33.6000110.3
160A92.1Very high85.1Confident83 Ų83126.9 Ų126.969%0.68674%0.742SS**PPolyproline II helixtrans-53.6136.5177.800000110T162A160-T162 PolarHBondContact O-N 3.08Å
161P90.9Very high86.2Confident129 Ų129128 Ų12884%0.83874%0.744SS**PPolyproline II helixtrans-57.8129.2178.824.2-33.1000109.4
162T91.8Very high86.8Confident131 Ų131127.3 Ų127.380%0.80473%0.733SS**PPolyproline II helixtrans-74.7134.3178.4-57.90000109.4A160 P164A160-T162 PolarHBondContact O-N 3.08Å; T162-P164 WeakPolarHBondContact O-CD 3.23Å
163V89.1Confident87.3Confident96 Ų96124.2 Ų124.258%0.58271%0.713SS**PPolyproline II helixtrans-61.8125.4173.3178.40000108.5L167V163-L167 HydrophobicContact CG1-CB 3.69Å; V163-L167 HydrophobicContact CG1-CD1 4.06Å; V163-L167 HydrophobicContact CG1-CD2 3.96Å; V163-L167 HydrophobicContact CG1-CG 4.1Å
164P89.7Confident87.3Confident91 Ų91128.3 Ų128.359%0.59173%0.727SS**PPolyproline II helixtrans-58.1141.5179.8-25.534.1000111.8T162 G166 L167T162-P164 WeakPolarHBondContact O-CD 3.23Å; P164-G166 PolarHBondContact O-N 3.13Å; P164-L167 PolarHBondContact O-N 3.34Å
165P87.3Confident87.2Confident134 Ų134128.1 Ų128.187%0.8773%0.734SS**THydrogen-bonded Turntrans-57139.5171.325.8-33.3000109.7
166G85.4Confident86.8Confident71 Ų71123.3 Ų123.373%0.73271%0.713SS**THydrogen-bonded Turntrans94.84.4-178.700000115.5P164 R168P164-G166 PolarHBondContact O-N 3.13Å; G166-R168 PolarHBondContact O-N 3.37Å
167L86.4Confident85.9Confident142 Ų142129.2 Ų129.274%0.74372%0.721SS**  trans-65.9113.6165.7-162.6112.2000109.7V163 P164V163-L167 HydrophobicContact CG1-CB 3.69Å; V163-L167 HydrophobicContact CG1-CD1 4.06Å; V163-L167 HydrophobicContact CG1-CD2 3.96Å; V163-L167 HydrophobicContact CG1-CG 4.1Å; P164-L167 PolarHBondContact O-N 3.34Å
168R84.7Confident84.8Confident210 Ų210128.4 Ų128.479%0.79271%0.707SS**  trans-117.6153.3-177.9-64.9177.169.9-162.41111.1G166 R170G166-R168 PolarHBondContact O-N 3.37Å; R168-R170 PolarHBondContact O-N 3.19Å; R168-R170 VanDerWaalsContact O-N 3.08Å
169Q85Confident83.4Confident145 Ų145127.6 Ų127.668%0.67870%0.703SS**  trans-61.2108.9171.6-179.1176.4-4.400109.8F171Q169-F171 VanDerWaalsContact CG-O 3.31Å; Q169-F171 WeakPolarHBondContact CG-O 3.32Å; Q169-F171 PolarHBondContact NE2-O 3.43Å
170R84Confident81.7Confident248 Ų248128.3 Ų128.394%0.93671%0.705SS**  trans-91.3-17.4179.8-63.9-173.8-179.1-170.6-0.6113.7R168R168-R170 PolarHBondContact O-N 3.19Å; R168-R170 VanDerWaalsContact O-N 3.08Å
171F85.2Confident80.2Confident153 Ų153132 Ų13267%0.67171%0.713SS**  trans-106.3117.7178.5-176.8-102.5000110.1Q169 P173Q169-F171 VanDerWaalsContact CG-O 3.31Å; Q169-F171 WeakPolarHBondContact CG-O 3.32Å; Q169-F171 PolarHBondContact NE2-O 3.43Å; F171-P173 HydrophobicContact CE1-CB 4.13Å
172Q83.9Confident78.1Confident103 Ų103130.7 Ų130.748%0.48171%0.707SS.*  trans-112.5114.2172.7-173.8167.43.900107.3S176Q172-S176 WeakPolarHBondContact CG-OG 2.94Å; Q172-S176 PolarHBondContact NE2-O 3.44Å
173P86.5Confident75.9Confident59 Ų59136.3 Ų136.338%0.38371%0.713SS.*  trans-63144.7178.222.5-28.6000110.1F171 G175 S176F171-P173 HydrophobicContact CE1-CB 4.13Å; P173-G175 PolarHBondContact O-N 2.99Å; P173-S176 VanDerWaalsContact CD-OG 3.23Å; P173-S176 WeakPolarHBondContact CD-OG 3.45Å; P173-S176 VanDerWaalsContact CG-OG 3.32Å; P173-S176 WeakPolarHBondContact CG-OG 3.44Å; P173-S176 PolarHBondContact O-N 3.05Å; P173-S176 PolarHBondContact O-OG 3.09Å
174F82.1Confident73.9Confident216 Ų216139.3 Ų139.395%0.94773%0.725SS**THydrogen-bonded Turntrans-52.1128.1178.2-78.5-84.5000110.7
175G82.7Confident71.9Confident87 Ų87142.8 Ų142.890%0.89774%0.736SS**THydrogen-bonded Turntrans86.2-6.5179.800000115.9P173P173-G175 PolarHBondContact O-N 2.99Å
176S77.5Confident69.6Low46 Ų46145.4 Ų145.432%0.32274%0.736SS.*  trans-86.4131.9171.968.70000110.5Q172 P173Q172-S176 WeakPolarHBondContact CG-OG 2.94Å; Q172-S176 PolarHBondContact NE2-O 3.44Å; P173-S176 VanDerWaalsContact CD-OG 3.23Å; P173-S176 WeakPolarHBondContact CD-OG 3.45Å; P173-S176 VanDerWaalsContact CG-OG 3.32Å; P173-S176 WeakPolarHBondContact CG-OG 3.44Å; P173-S176 PolarHBondContact O-N 3.05Å; P173-S176 PolarHBondContact O-OG 3.09Å
177R70.9Confident67.3Low233 Ų233149.2 Ų149.288%0.87974%0.74SS**  trans-106.9118.8165.3-66.5176.271.3174.52.3106.5P179R177-P179 WeakPolarHBondContact O-CD 3.37Å
178T65.6Low64.9Low79 Ų79148.7 Ų148.749%0.48574%0.743SS.*  trans-69.1122169.833.50000108.3T180T178-T180 PolarHBondContact O-N 3.26Å
179P58.8Low63.2Low106 Ų106144 Ų14469%0.68874%0.739SS**  trans-67.7122.5170.626.6-29000107.6R177 L181R177-P179 WeakPolarHBondContact O-CD 3.37Å; P179-L181 PolarHBondContact O-N 3.31Å
180T56.6Low60.8Low132 Ų132144.2 Ų144.281%0.8175%0.745SS**  trans-62.877.8173.9-48.10000109.7T178 S182T178-T180 PolarHBondContact O-N 3.26Å; T180-S182 PolarHBondContact O-N 3.33Å; T180-S182 VanDerWaalsContact O-N 3.16Å
181L59.7Low58.5Low161 Ų161138.2 Ų138.284%0.84374%0.736SS**  trans-82.485.8169.9-74.6-175.4000109.4P179P179-L181 PolarHBondContact O-N 3.31Å
182S47.8Very low56.4Low102 Ų102135.7 Ų135.771%0.71374%0.736SS**  trans179.659.9144.152.70000110.2T180 L184T180-S182 PolarHBondContact O-N 3.33Å; T180-S182 VanDerWaalsContact O-N 3.16Å; S182-L184 PolarHBondContact O-N 3.46Å
183R46Very low54.4Low248 Ų248138.3 Ų138.394%0.93675%0.752SS**  trans-71.789.6155.2-163.3-178.4-169.9-1622105.8M185R183-M185 PolarHBondContact O-N 3.15Å
184L46Very low52.3Low159 Ų159140.8 Ų140.883%0.83277%0.768SS**  trans-57.7133.4170.1-157.584.2000107.7S182 E186S182-L184 PolarHBondContact O-N 3.46Å; L184-E186 PolarHBondContact O-N 3.39Å
185M48.4Very low49.9Very low164 Ų164134.5 Ų134.581%0.80875%0.751SS**  trans-54.5127.9172.7-68.8166.980.700110.2R183R183-M185 PolarHBondContact O-N 3.15Å
186E39Very low47.7Very low189 Ų189136.8 Ų136.888%0.88375%0.748SS**  trans-144.9102.7151.2-126.6177171.400106.3L184L184-E186 PolarHBondContact O-N 3.39Å
187D37.5Very low46.2Very low152 Ų152139.9 Ų139.981%0.81377%0.767SS**  trans-80.4119.4174-89-34.7000108.9
188T34.4Very low44.5Very low130 Ų130138.2 Ų138.280%0.79877%0.769SS**  trans-146.6129.9152.3-42.60000107.1
189P49.8Very low42.9Very low111 Ų111140.6 Ų140.672%0.72178%0.783SS**  trans-93.9138.1-166.835-31.3000112.2
190D33.4Very low42Very low150 Ų150141.4 Ų141.480%0.80279%0.789SS**  trans-177.8108131.2-101.1-35.8000112.7
191T37Very low40.9Very low122 Ų122143.2 Ų143.275%0.74879%0.792SS**  61.1150.1125.2-40.70000119.7
192P41.6Very low39.7Very low101 Ų101146.2 Ų146.266%0.65679%0.792SS**  -134152.3-70.739.9-21.4000115.7
193L40.8Very low39.1Very low158 Ų158148.3 Ų148.383%0.82780%0.801SS**  trans58.2169.2148.8-66.8169.7000119.6
194P42.1Very low38.5Very low111 Ų111142 Ų14272%0.72179%0.79SS**  cis-125.6140.27.333.4-13.2000114.7
195S32.9Very low37.9Very low84 Ų84142.2 Ų142.259%0.58779%0.791SS**  48105.590.572.90000118.8
196T36.2Very low37.3Very low135 Ų135141.4 Ų141.483%0.82879%0.79SS**  trans80.1165.914165.20000119.8
197P45.5Very low37.3Very low111 Ų111138.1 Ų138.172%0.72179%0.785SS**  -137155.1-63.738.4-22.6000111.8
198E34.8Very low36.9Very low198 Ų198134.2 Ų134.293%0.92578%0.781SS**  trans-129.5125.2162.3-71.7-164.6164.600112.5
199T31.5Very low36.9Very low128 Ų128137.9 Ų137.979%0.78579%0.789SS**  trans-61.1147.6-175.744.40000114.8
200P40Very low36.2Very low124 Ų124139.6 Ų139.681%0.80579%0.787SS**  trans-87.1129153.731.1-24.4000110.7R202P200-R202 PolarHBondContact O-N 3.21Å
201L35.1Very low36.3Very low169 Ų169142.2 Ų142.289%0.88579%0.786SS**  trans-45.7129171.4-102.5137.7000112.5
202R34.1Very low36.5Very low224 Ų224145.8 Ų145.885%0.84579%0.791SS**  trans-69129.9164-72.8179.9168.3168.8-3.7109.8P200P200-R202 PolarHBondContact O-N 3.21Å
203V34.2Very low36.5Very low146 Ų146146.9 Ų146.989%0.88580%0.801SS**  trans-118.9109.4147.1175.10000106.5
204T33.3Very low36.8Very low116 Ų116149.2 Ų149.271%0.71281%0.805SS**  trans-103131.4170.129.40000108.6
205L33.8Very low36.9Very low163 Ų163154 Ų15485%0.85381%0.814SS**  trans-169.885146.4-94.6169.9000105.5
206D35.3Very low37.7Very low148 Ų148159.9 Ų159.979%0.79183%0.829SS**  93.7161.685.8-113-10000113.4
207P39.3Very low38.3Very low119 Ų119162.9 Ų162.977%0.77383%0.831SS**  -122.8166.9-122.935.1-15.6000113.3
208G28.8Very low38.4Very low71 Ų71167.3 Ų167.373%0.73284%0.839SS**  trans156.7103.3164.600000114.9
209E34.3Very low39.2Very low206 Ų206165.6 Ų165.696%0.96383%0.828SS**  125128127.3-66.7-161.4137.300116.8
210E36.4Very low39.7Very low147 Ų147167.1 Ų167.169%0.68783%0.831SS**  trans-91.1153.2-166.8-142.9-174.9-13900109.6
211R35.3Very low40.3Very low205 Ų205169.3 Ų169.377%0.77483%0.829SS**  trans87.4113.6158.2-50.5157.8-172.4-166-0.4117.1
212K41.2Very low40.3Very low197 Ų197169 Ų16986%0.85783%0.827SS**  179.2116.395.6-91.9166.9-173.3173.20110.1K214K212-K214 PolarHBondContact O-N 2.6Å
213S41.3Very low40.6Very low125 Ų125166 Ų16687%0.87483%0.826SS**  trans-67.3121.4170.645.90000110.8
214K46.8Very low40.9Very low207 Ų207168.4 Ų168.490%0.982%0.824SS**  trans-114.696.4165.2-98.7-179.7177.7174.60109.8K212 K216K212-K214 PolarHBondContact O-N 2.6Å; K214-K216 PolarHBondContact O-N 2.76Å; K214-K216 VanDerWaalsContact O-N 3.15Å
215K45.2Very low40.8Very low212 Ų212168.2 Ų168.292%0.92282%0.823SS**  trans-54.4104.3167.4-175.9174.2-175.8172.80109.9
216K49.5Very low40.7Very low206 Ų206168.6 Ų168.690%0.89682%0.821SS**  trans-106.3101168-153.5173.3-175.2178.50109.5K214 K218K214-K216 PolarHBondContact O-N 2.76Å; K214-K216 VanDerWaalsContact O-N 3.15Å; K216-K218 PolarHBondContact O-N 3.16Å
217K49.3Very low40.6Very low198 Ų198168.9 Ų168.986%0.86182%0.817SS**  trans-54.5112.6172.3-176.2178.2-176.7176.80109.9
218K47.6Very low40.3Very low205 Ų205170.7 Ų170.789%0.89182%0.817SS**  trans-110.8121162.7-158.8175.1-178.8-176.40108.1K216K216-K218 PolarHBondContact O-N 3.16Å
219K50.5Low40.7Very low161 Ų161175.9 Ų175.970%0.782%0.823SS**  trans-78.4119.1-171.6176.3178.2179.81740109.2
220D41.7Very low40.6Very low160 Ų160174.9 Ų174.986%0.85682%0.818SS**  trans-59.1130.9159.2-81.5-46.7000109.7
221K53Low40.4Very low171 Ų171171 Ų17174%0.74382%0.817SS**  trans-125.598.4160.2-87.3-165.8173.7-168.90108.4
222L36.1Very low40.2Very low163 Ų163166.9 Ų166.985%0.85382%0.815SS**  trans-4.7119.3144.1-146.184.2000115
223I39Very low39.7Very low160 Ų160169 Ų16982%0.82182%0.817SS**  trans-80.8126163.7-65.7164.8000106.8
224K40.3Very low39.3Very low197 Ų197169 Ų16986%0.85781%0.812SS**  trans-114.8119.7170.2-158.1179.1-176.3-173.10107.7
225T32.8Very low38.7Very low112 Ų112168.7 Ų168.769%0.68781%0.81SS**  trans-78.8158.3175.7-35.80000110.7
226E31.6Very low38.3Very low170 Ų170167.5 Ų167.579%0.79481%0.808SS**  trans74.8139165.7-80.6-178.8164.100117
227E31.6Very low37.5Very low154 Ų154166.6 Ų166.672%0.7281%0.807SS**  cis-164.6153.49.9-146.2-178156.200108.6
228M33.6Very low36.5Very low158 Ų158165 Ų16578%0.77881%0.807SS**  trans51.1135.1149.5-108170.281.400124.2
229E37.2Very low35.8Very low180 Ų180162 Ų16284%0.84180%0.801SS**  trans94.378.2148-146.6173.5-165.700117.9
230E33.3Very low35Very low184 Ų184161.6 Ų161.686%0.8680%0.801SS**  trans-108.9101.5161-163.8172.5-167.400109.9V232E230-V232 PolarHBondContact O-N 3.22Å
231G30.9Very low34.4Very low66 Ų66161.9 Ų161.968%0.6880%0.799SS**  trans-72.3107.6166.200000110.3R233G231-R233 PolarHBondContact O-N 3.19Å; G231-R233 VanDerWaalsContact O-N 3.13Å
232V30.7Very low33.4Very low119 Ų119159 Ų15972%0.72180%0.796SS**  trans-69.1104.1174.9177.80000109.5E230 V234E230-V232 PolarHBondContact O-N 3.22Å; V232-V234 HydrophobicContact CG1-CG2 4.03Å
233R31Very low33.2Very low240 Ų240160.2 Ų160.291%0.90680%0.797SS**  trans-87.4104164.5-62.7-173.7-174-151.11.1108.2G231 K235G231-R233 PolarHBondContact O-N 3.19Å; G231-R233 VanDerWaalsContact O-N 3.13Å; R233-K235 PolarHBondContact O-N 3.45Å
234V33.4Very low33Very low126 Ų126157.5 Ų157.576%0.76479%0.792SS**  trans-68.4123.7173.51750000109.1V232 Q236V232-V234 HydrophobicContact CG1-CG2 4.03Å; V234-Q236 PolarHBondContact O-N 2.93Å
235K34.2Very low32.7Very low200 Ų200153.9 Ų153.987%0.8779%0.789SS**  trans-62.8123.5166.8-86178169.4-179.10109.3R233R233-K235 PolarHBondContact O-N 3.45Å
236Q36.7Very low32.8Very low187 Ų187157.4 Ų157.487%0.87480%0.797SS**  trans-95.2115.7163.7-166.9171.28.600107.9V234V234-Q236 PolarHBondContact O-N 2.93Å
237E33.3Very low33.1Very low187 Ų187157.5 Ų157.587%0.87480%0.798SS**  trans-75.2125.5166.7-96.7-178158.200109.1
238L28.4Very low33.4Very low165 Ų165156.4 Ų156.486%0.86480%0.804SS**  trans-110.8107.2172178.871.5000106.6
239L33.5Very low33.3Very low143 Ų143159.4 Ų159.475%0.74981%0.808SS**  trans-86106.6161.4-83.3143.9000106.3
240E33.4Very low33Very low152 Ų152160.6 Ų160.671%0.7181%0.811SS**  87.5107.584.1-165.9175.8-131.100111.4
241M28.9Very low33.2Very low165 Ų165159.4 Ų159.481%0.81381%0.81SS**  trans-167.3116.9134.4-144.771.97100110.6
242T32Very low33.4Very low111 Ų111162.5 Ų162.568%0.68182%0.818SS**  trans-27.1131.6159.142.40000116.3
243H32.1Very low33.2Very low188 Ų188160.3 Ų160.387%0.8782%0.819SS**  -158129.6129.8-84.4-66.2000110
244S33.7Very low33.1Very low103 Ų103158.4 Ų158.472%0.7282%0.82SS**  trans-66.5146.9177.6177.80000112.6
245P35.3Very low33Very low122 Ų122161 Ų16179%0.79282%0.824SS**  trans-107.5117.615326.3-11.5000111.1
246E33.9Very low32.8Very low185 Ų185158.7 Ų158.786%0.86483%0.827SS**PPolyproline II helixtrans-67.9164.1162.5-68-160.9161.400111.9
247E37.8Very low32.5Very low173 Ų173157.5 Ų157.581%0.80882%0.821SS**PPolyproline II helixtrans-55.2157.3-159.3-58.2-179139.700118.8
248P37.2Very low32.4Very low131 Ų131155.7 Ų155.785%0.85182%0.817SS**PPolyproline II helixtrans-88.5125.416933.7-29.6000112.5
249Y32.4Very low32.7Very low220 Ų220152.6 Ų152.686%0.86381%0.809SS**PPolyproline II helixtrans-97.3150166.840.8-89.9000112
250K30.8Very low32.9Very low205 Ų205155 Ų15589%0.89182%0.817SS**PPolyproline II helixtrans-68.9147.4-160.2-67167.9175.1175.50116.4
251L37.2Very low32.7Very low160 Ų160155.7 Ų155.784%0.83882%0.82SS**PPolyproline II helixtrans-54158.4157.9-88165.5000113.1
252P34.9Very low33.2Very low131 Ų131157 Ų15785%0.85182%0.821SS**  -150.3155.381.737.5-17.6000118
253G27.1Very low33.4Very low72 Ų72162.9 Ų162.974%0.74283%0.831SS**  trans122.992.4145.200000116.1
254Q29.8Very low33.7Very low200 Ų200163.5 Ų163.594%0.93583%0.831SS**  168.2130.293.2-159165.638.200109.3
255E30Very low34.1Very low180 Ų180168.6 Ų168.684%0.84184%0.84SS**  trans-69139-178.6-58.2166.415200110.8
256T30.9Very low34.2Very low152 Ų152173 Ų17393%0.93385%0.847SS**  -154.9132.9127.7-12.20000111.6
257E30.1Very low34.5Very low163 Ų163173.1 Ų173.176%0.76284%0.844SS**  trans-71.7160.5-173.3-99.3-173.214000116
258L30.6Very low34.4Very low149 Ų149173.6 Ų173.678%0.7884%0.844SS**  trans72.6140.8144-68.7160.5000118.1
259S35.8Very low34.4Very low100 Ų100176.3 Ų176.370%0.69984%0.842SS**  cis-161.6156.3-4.364.70000108.8
260E36.4Very low34.7Very low194 Ų194175 Ų17591%0.90784%0.841SS**  trans-78.8135.5160.3-66.9-175131.700109.9
261E30.1Very low34.8Very low166 Ų166172.5 Ų172.578%0.77684%0.837SS**  trans-155.5126.8143.2-142.5-175.7142.700113.5
262K38Very low35.4Very low191 Ų191174.7 Ų174.783%0.8384%0.84SS**  trans-69.9144.9172-65.7167.7174.1166.30110.7
263R38.2Very low35.2Very low236 Ų236175.2 Ų175.289%0.89184%0.836SS**  trans-168.8156.9137.4-105.6155.4-174.2-159.62.4115.7
264K37.6Very low35.6Very low200 Ų200183 Ų18387%0.8784%0.843SS**  trans-81.9144.7-161-68.8165.7169.4172.90114.9
265K41.2Very low35.6Very low211 Ų211176.7 Ų176.792%0.91783%0.831SS**  34.5110.5128.6-145.9174.6-169.4175.50118.4
266K39Very low35.5Very low215 Ų215175.1 Ų175.194%0.93583%0.828SS**  trans-146.4153.9147.5-159.9169.9178.8-179.20112
267K38.4Very low35.8Very low186 Ų186174.3 Ų174.381%0.80982%0.823SS**  trans-93.5140.8-154.6175-177.8179.4-179.20113.9
268K37.5Very low36Very low183 Ų183174.5 Ų174.580%0.79682%0.824SS**  trans43.4126.2141.7-156179.9-179.8170.90120.5
269K36Very low36Very low188 Ų188174.6 Ų174.682%0.81783%0.825SS**  134.3122.4120.1-158.9177.2-176.2-177.10111.3
270K38.4Very low35.7Very low192 Ų192175 Ų17584%0.83582%0.824SS**  162129.4114.6-170.9168178.6-179.10111.2
271D33.7Very low35.6Very low154 Ų154171.9 Ų171.982%0.82482%0.817SS**  trans-39.7140.3163.7-86.1-67.6000114.2
272K49.4Very low35.6Very low206 Ų206173.6 Ų173.690%0.89682%0.818SS**  trans-149.6109.9144.6-168144.6169.51780110.8
273D30.8Very low35.4Very low142 Ų142169.8 Ų169.876%0.75982%0.815SS**  trans-58.4159.4163.4-175.828.2000112.7
274R36.8Very low35.2Very low236 Ų236161.8 Ų161.889%0.89180%0.796SS**  trans113.9120146.9-148.9175.9-166.4-175.73.5119.6
275G28.4Very low34.8Very low66 Ų66161.8 Ų161.868%0.6880%0.796SS**  trans105.797.4145.400000114
276D29Very low34.5Very low147 Ų147158.9 Ų158.979%0.78679%0.791SS**  71.4111.973.8-165.526.6000112.6
277V36.3Very low34.1Very low135 Ų135154.4 Ų154.482%0.81878%0.781SS**  -177.2130.5127.51610000108.9
278E34.2Very low34.2Very low168 Ų168152.7 Ų152.779%0.78578%0.779SS**  trans-54.5147.2176-54.4178.4134.900114.1
279D31.5Very low34.3Very low151 Ų151153 Ų15381%0.80778%0.78SS**  -154.6104.8128.5-127.3-20.7000111.1
280T29.3Very low34.3Very low109 Ų109152.8 Ų152.867%0.66978%0.78SS**  2.1129.3128.517.60000115.2
281V33.6Very low34.6Very low128 Ų128152.9 Ų152.978%0.77678%0.783SS**  -169.4121.567.3170.60000110.5
282Y30.2Very low34.6Very low201 Ų201151.4 Ų151.479%0.78878%0.779SS**  trans9118.7134.5-143.3-102.9000119.5S284Y282-S284 WeakPolarHBondContact CE1-OG 3.41Å
283S33.2Very low34.2Very low111 Ų111151 Ų15178%0.77678%0.781SS**  trans-153.3107.8142.7-152.80000112.3
284S34.8Very low34.7Very low69 Ų69149.8 Ų149.848%0.48378%0.778SS.*  trans-77.5128.5-177.6-53.10000111.8Y282Y282-S284 WeakPolarHBondContact CE1-OG 3.41Å
285F29.7Very low34.9Very low200 Ų200147.7 Ų147.788%0.87778%0.776SS**  trans-93.2112.5164-86.5-87000110V287F285-V287 PolarHBondContact O-N 2.97Å
286N34.4Very low35.7Very low149 Ų149150.7 Ų150.780%0.79778%0.78SS**  trans-72.5115.6169.5-75.8-37.7000109.9I288N286-I288 PolarHBondContact O-N 2.96Å
287V31Very low36.9Very low121 Ų121151.2 Ų151.273%0.73378%0.778SS**  trans-82.7104.9169.1175.20000108.2F285 K289F285-V287 PolarHBondContact O-N 2.97Å; V287-K289 HydrophobicContact CG1-CG 4.06Å; V287-K289 PolarHBondContact O-N 2.93Å
288I39.3Very low37.9Very low150 Ų150150.7 Ų150.777%0.76978%0.777SS**  trans-88100164.5-61.8175.9000107N286N286-I288 PolarHBondContact O-N 2.96Å
289K39.7Very low38.1Very low189 Ų189151.8 Ų151.882%0.82279%0.785SS**  trans-75.3119.7162.1-78.5179.8178.1-178.40108.1V287V287-K289 HydrophobicContact CG1-CG 4.06Å; V287-K289 PolarHBondContact O-N 2.93Å
290K37.5Very low38.5Very low185 Ų185152.5 Ų152.580%0.80479%0.788SS**  trans-114107.8157.3-102.7-178.7174.7173.80107.5
291E43.6Very low39.5Very low194 Ų194153 Ų15391%0.90780%0.797SS**  trans-61.7130.5162.7-82171.4142.200108.8
292V33.5Very low40.3Very low123 Ų123151.7 Ų151.775%0.74579%0.793SS**  trans-115.4106.6164.1175.20000106V294V292-V294 HydrophobicContact CG1-CG2 4.32Å; V292-V294 PolarHBondContact O-N 2.74Å
293E42.2Very low40.4Very low198 Ų198152.8 Ų152.893%0.92580%0.798SS**  trans-61.5111.7167.2-109.5179.1157.500108.7
294V40.1Very low40.6Very low116 Ų116150.3 Ų150.370%0.70379%0.79SS**  trans-98.9108.8166.9-179.40000107.7V292 V296V292-V294 HydrophobicContact CG1-CG2 4.32Å; V292-V294 PolarHBondContact O-N 2.74Å; V294-V296 PolarHBondContact O-N 2.96Å
295K42.3Very low40.5Very low192 Ų192156.5 Ų156.584%0.83581%0.811SS**  trans-67.1106172.7-164.2179.3-175.7-173.50108.6
296V45Very low40.9Very low128 Ų128153 Ų15378%0.77681%0.806SS**PPolyproline II helixtrans-89.1117.2173.6-179.70000108V294V294-V296 PolarHBondContact O-N 2.96Å
297E54.2Low41Very low158 Ų158154.6 Ų154.674%0.73881%0.808SS**PPolyproline II helixtrans-77.1144.4167.6-71.5-168.6159.200110.5
298P55.7Low41.5Very low124 Ų124156.1 Ų156.181%0.80581%0.812SS**PPolyproline II helixtrans-73.8132.1-179.629.5-32.4000111.1D300P298-D300 PolarHBondContact O-N 2.75Å
299M39.7Very low41.5Very low191 Ų191154.4 Ų154.494%0.94181%0.814SS**PPolyproline II helixtrans-71.6119169-86.1154.1151.700110.1S301M299-S301 PolarHBondContact O-N 2.98Å
300D38.6Very low41.5Very low166 Ų166148.3 Ų148.389%0.88881%0.805SS**PPolyproline II helixtrans-65.3127.6169.7-96.6-34.2000110.7P298P298-D300 PolarHBondContact O-N 2.75Å
301S50.4Low41.7Very low120 Ų120149.1 Ų149.184%0.83981%0.808SS**  trans-94.994.4173.545.50000109.1M299M299-S301 PolarHBondContact O-N 2.98Å
302S51.5Low41.7Very low101 Ų101151.2 Ų151.271%0.70681%0.808SS**  trans-166.8127.2153.7600000111.7
303Y32.8Very low42.4Very low224 Ų224155.9 Ų155.988%0.87882%0.818SS**  trans174.8108.3135-114.4-97.3000104.9
304G36.5Very low42.7Very low59 Ų59155.6 Ų155.661%0.60881%0.814SS**  cis99.479.949.700000106.7V306G304-V306 PolarHBondContact O-N 3.44Å
305E33.2Very low42.8Very low199 Ų199160 Ų16093%0.9382%0.823SS**  trans-57.5112.5173.9-174.4170.6-177.200109
306V38.1Very low43.1Very low127 Ų127157.4 Ų157.477%0.7782%0.823SS**  trans-91.6111.4-179.4179.50000108.4G304G304-V306 PolarHBondContact O-N 3.44Å
307E36.2Very low43.1Very low182 Ų182160.2 Ų160.285%0.8583%0.825SS**  trans-72.6143.3160.6-82.8-155.1151.400111.7
308D40.6Very low42.8Very low152 Ų152162 Ų16281%0.81383%0.83SS**  trans-60.7134.4179.5-173.319.4000113.3
309S39.8Very low42Very low115 Ų115162.9 Ų162.980%0.80483%0.828SS**  trans-161.3113.3147.555.70000111.6
310G40.3Very low42.2Very low61 Ų61164.1 Ų164.163%0.62982%0.822SS**  trans-68.4164.6-178.300000115.4
311K40.6Very low42.4Very low202 Ų202164.6 Ų164.688%0.87882%0.819SS**  trans-172.2130.6145.9-101.5152.9-165.6177.20113.2
312R45.1Very low42Very low238 Ų238165.4 Ų165.490%0.89881%0.814SS**  trans69.8100.4141-73.8178.8153.8-175.4-6.7120.6K314R312-K314 PolarHBondContact O-N 3.5Å
313K47.1Very low41.7Very low220 Ų220167.9 Ų167.996%0.95782%0.819SS**  trans-42.1115.6153.6-150171.9-170.2172.70112.8
314K48.1Very low42.5Very low193 Ų193168.8 Ų168.884%0.83984%0.839SS**  trans-107.6118.7167.2-167.1173.3-178.4178.10109.7R312R312-K314 PolarHBondContact O-N 3.5Å
315K43.6Very low42.8Very low209 Ų209174.3 Ų174.391%0.90985%0.851SS**PPolyproline II helixtrans-73.4118.4-179.9-163.5177.9-174.2179.80109
316V47.9Very low43.3Very low137 Ų137172.9 Ų172.983%0.8385%0.846SS**PPolyproline II helixtrans-100.4129.1172.4177.40000109.3
317K44.5Very low43.5Very low187 Ų187175.5 Ų175.581%0.81385%0.851SS**PPolyproline II helixtrans-85.4122.8-173.1-159.9177.7-177.5-176.10108.6
318K48.2Very low44Very low196 Ų196175.1 Ų175.185%0.85285%0.851SS**  trans-83.8112.2175.1-176.6175.8-179.1174.30108.6
319N40Very low44.2Very low142 Ų142176.6 Ų176.676%0.75985%0.853SS**PPolyproline II helixtrans-84.5129.8166.2-76.1-4.1000108.5
320R43.3Very low44.5Very low216 Ų216180.7 Ų180.782%0.81586%0.856SS**PPolyproline II helixtrans-80.6137.9165.1-72178.8174.1-177.4-4107.7
321H42.1Very low44.8Very low177 Ų177189.2 Ų189.282%0.81987%0.873SS**PPolyproline II helixtrans-101116.6158.7-141.4-1.6000105.1
322D42.9Very low45.1Very low137 Ų137188.2 Ų188.273%0.73387%0.872SS**PPolyproline II helixtrans-86.3127162.4-74.3-55.7000106.3
323D45.4Very low45.1Very low153 Ų153184.1 Ų184.182%0.81887%0.87SS**PPolyproline II helixtrans-99.3123.8163.2-84.7-49.5000106.8
324D48Very low44.9Very low242 Ų242180.8 Ų180.8100%1.29486%0.862SS**  trans-137.70160.6-131.52.8000106.6

Retrieved 324 of 324 residues in 430.4 ms (Link to these results)