A0A077ZL20_TRITR Loading...

RNA binding motif, single stranded interacting

AlphaFold DB , UniProt , Accession A0A077ZL20, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 435 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 low55.3Low250 Ų250150.5 Ų150.5100%1.23285%0.852SS**  0136.40-65.7163179.100107.8
2R51Low54.4Low248 Ų248154.2 Ų154.294%0.93685%0.852SS**  trans-110.9143.1170.9-84.3-176.4170.3-176.9-3.3108.2
3C47.8Very low54Low123 Ų123156.7 Ų156.783%0.83185%0.853SS**PPolyproline II helixtrans-72.3143.1167.9-56.50000109.8
4P67.6Low52.8Low124 Ų124150.7 Ų150.781%0.80585%0.846SS**PPolyproline II helixtrans-70.1151170.230.8-34.2000110.9
5A63.9Low52.3Low90 Ų90150.8 Ų150.874%0.74484%0.843SS**PPolyproline II helixtrans-84.9150.6172.900000111
6P67.6Low51.7Low118 Ų118149.4 Ų149.477%0.76684%0.839SS**PPolyproline II helixtrans-68153.1171.330.4-35.2000111.3
7P66.3Low51.4Low125 Ų125146.8 Ų146.881%0.81283%0.833SS**PPolyproline II helixtrans-70.3143.6178.329.9-34.9000111.8
8A51.9Low50.9Low98 Ų98145.6 Ų145.681%0.8183%0.83SS**PPolyproline II helixtrans-76.8143.116700000110.4
9Y49.2Very low50.6Low224 Ų224144.6 Ų144.688%0.87883%0.833SS**  trans-106.6146.3169.8-156.3-95.7000110.2
10N53.1Low50.3Low143 Ų143141.7 Ų141.777%0.76584%0.835SS**PPolyproline II helixtrans-81.1156.3-164.6-86.6-20000114.5
11S43.7Very low49.8Very low113 Ų113142.8 Ų142.879%0.7984%0.837SS**PPolyproline II helixtrans-57.9137.5175.6-46.20000113.2
12F45.2Very low49.8Very low194 Ų194134.4 Ų134.485%0.85182%0.815SS**PPolyproline II helixtrans-80.9124.9159.6-100.1-98.5000110.2
13H49.4Very low49.4Very low187 Ų187131 Ų13187%0.86681%0.809SS**  trans-109.4123.8156-109.4-126.7000106.7
14G36.9Very low49.2Very low73 Ų73137 Ų13775%0.75382%0.815SS**  trans-86.3-172.2-174.300000113.4
15N44.9Very low47.9Very low152 Ų152137.8 Ų137.881%0.81381%0.812SS**  trans-148.4148.3155.9-156.93.3000111
16V43.1Very low47.3Very low128 Ų128140 Ų14078%0.77682%0.816SS**  trans-114.9132.7172.7171.30000107.5
17S46.9Very low46Very low105 Ų105139.2 Ų139.273%0.73481%0.813SS**  trans-152.4146.1172.2-73.20000110.5
18T42.8Very low45.2Very low126 Ų126140 Ų14077%0.77382%0.816SS**  trans-120157.1-163.824.40000113
19S44.4Very low44.7Very low127 Ų127143.8 Ų143.889%0.88882%0.822SS**  trans68.4126.7156.5-580000119
20G43.9Very low44.3Very low85 Ų85137 Ų13788%0.87682%0.821SS**  trans-179.8107.8167.300000111.3
21N40.1Very low43.7Very low166 Ų166134.3 Ų134.389%0.88883%0.827SS**  trans-104.8140.1-177.4-169.25.2000110.4
22G45.2Very low43.8Very low73 Ų73135.1 Ų135.175%0.75383%0.833SS**  trans-175.9106.4-17800000114.9
23Q44.3Very low43.8Very low176 Ų176130.5 Ų130.582%0.82283%0.83SS**  trans-88.3141.3175.6-58.9164.8-56.900112.2
24R43.4Very low43.7Very low251 Ų251126.8 Ų126.895%0.94783%0.825SS**  trans-165.6160.3132.6-115.8160.8-78.5-165.5-3.1112.6
25N39.5Very low44.1Very low139 Ų139128.6 Ų128.674%0.74383%0.833SS**  trans-141.1131.3-167.9178.917.9000109.4
26V51.5Low43.8Very low137 Ų137125.1 Ų125.183%0.8383%0.833SS**  trans-147.9133.8172.9-178.90000109.1
27S40.5Very low43.7Very low102 Ų102124.1 Ų124.171%0.71384%0.838SS**  trans-116.1139.4178.6-48.80000111.5
28T49.2Very low43.5Very low140 Ų140125.3 Ų125.386%0.85984%0.841SS**  trans-148.3138.1161.737.20000111
29N41.9Very low43.8Very low178 Ų178126.7 Ų126.795%0.95284%0.842SS**  trans-85.3157.4179.9-72.8-31.6000112.9
30G41.1Very low43.6Very low83 Ų83127 Ų12786%0.85683%0.834SS**  trans153.3132.4151.700000115.9
31G40.5Very low43.7Very low86 Ų86133.7 Ų133.789%0.88783%0.833SS**  trans118.1114.7163.500000115.6
32S44.5Very low43.9Very low130 Ų130130.1 Ų130.191%0.90982%0.821SS**  trans-101.5137.6175.8-49.40000111.5
33A45.4Very low44.1Very low96 Ų96130 Ų13079%0.79382%0.819SS**  trans-164.6130.715100000114.2
34S48.1Very low44.5Very low110 Ų110130.4 Ų130.477%0.76982%0.821SS**  trans9.8130.1150.557.90000123.2
35A45.3Very low44.9Very low110 Ų110122 Ų12291%0.90980%0.8SS**  62127.8129.500000121.6
36G38.5Very low45.7Very low79 Ų79119.6 Ų119.681%0.81480%0.8SS**  trans160.398.9166.600000112.2
37A40.2Very low45.7Very low107 Ų107117.7 Ų117.788%0.88479%0.792SS**  trans-109.293.6-176.800000112.1
38T44Very low46.2Very low131 Ų131116.2 Ų116.280%0.80478%0.782SS**  trans-139.2101.5168.247.10000110D40T38-D40 PolarHBondContact O-N 3.2Å
39I48.7Very low46.3Very low155 Ų155117.4 Ų117.480%0.79578%0.783SS**  trans-82.989.3166.9-59.6179000107.1R41I39-R41 HydrophobicContact CG2-CG 4.08Å; I39-R41 PolarHBondContact O-N 3.24Å
40D40.3Very low47.1Very low132 Ų132111.5 Ų111.571%0.70676%0.756SS**  trans-73.490.2172-174.2-0.2000109.9T38 S42T38-D40 PolarHBondContact O-N 3.2Å; D40-S42 PolarHBondContact O-N 3.11Å; D40-S42 VanDerWaalsContact O-N 3.11Å; D40-S42 PolarHBondContact OD1-N 3.01Å
41R45Very low48.1Very low227 Ų227112.2 Ų112.286%0.85775%0.745SS**  trans-81.274.1166.6-84.9-178.4178.9-168.5-0.3109.6I39 G43I39-R41 HydrophobicContact CG2-CG 4.08Å; I39-R41 PolarHBondContact O-N 3.24Å; R41-G43 VanDerWaalsContact C-N 3.31Å; R41-G43 PolarHBondContact O-N 2.95Å
42S45.3Very low49.1Very low91 Ų91113.2 Ų113.264%0.63673%0.73SS**  trans-61.193163.429.40000109.3D40 Q44D40-S42 PolarHBondContact O-N 3.11Å; D40-S42 VanDerWaalsContact O-N 3.11Å; D40-S42 PolarHBondContact OD1-N 3.01Å; S42-Q44 VanDerWaalsContact C-N 3.33Å; S42-Q44 PolarHBondContact O-N 3.02Å
43G48.1Very low50.1Low70 Ų70113.2 Ų113.272%0.72272%0.716SS**  trans-68.186.2179.400000111.1R41 C45R41-G43 VanDerWaalsContact C-N 3.31Å; R41-G43 PolarHBondContact O-N 2.95Å; G43-C45 PolarHBondContact O-N 2.87Å
44Q53.9Low51Low185 Ų185112 Ų11286%0.86469%0.694SS**  trans-72.797.8-172.3-170.2152.33100111.5S42 A46S42-Q44 VanDerWaalsContact C-N 3.33Å; S42-Q44 PolarHBondContact O-N 3.02Å; Q44-A46 PolarHBondContact O-N 3.22Å
45C52.1Low52.2Low75 Ų75109.8 Ų109.851%0.50767%0.673SS.*  trans-67.592.1170.645.20000110.4G43 S47G43-C45 PolarHBondContact O-N 2.87Å; C45-S47 PolarHBondContact O-N 2.9Å
46A54.7Low53.6Low88 Ų88106.9 Ų106.973%0.72765%0.646SS**  trans-61.9118.3172.500000110Q44 S48Q44-A46 PolarHBondContact O-N 3.22Å; A46-S48 PolarHBondContact O-N 2.79Å
47S51.4Low55.8Low97 Ų97108.2 Ų108.268%0.67863%0.631SS**  trans-79.1106179.350.30000110.7C45C45-S47 PolarHBondContact O-N 2.9Å
48S51Low58.3Low71 Ų71103.3 Ų103.350%0.49759%0.59SS.*  trans-76.2126.6170.7-58.60000110.2A46 S50A46-S48 PolarHBondContact O-N 2.79Å; S48-S50 PolarHBondContact O-N 3.33Å
49D52.6Low60.6Low165 Ų16598.4 Ų98.488%0.88256%0.559SS**SBendtrans-73.648-170-98.8-45.6000115.2
50S57.8Low62.8Low54 Ų5491 Ų9138%0.37852%0.521SS..  trans-152.9104.3172.7-87.40000112.9S48 N52 E53 Q54S48-S50 PolarHBondContact O-N 3.33Å; S50-N52 VanDerWaalsContact C-N 3.26Å; S50-N52 PolarHBondContact O-N 3.39Å; S50-E53 PolarHBondContact O-N 2.63Å; S50-E53 VanDerWaalsContact O-N 3.1Å; S50-Q54 PolarHBondContact O-N 3.09Å
51P63Low65.3Low97 Ų9787 Ų8763%0.6350%0.497SS*.Hα-helixtrans-66.5-22.9-172.325.5-34.5000114L55P51-L55 WeakPolarHBondContact O-CB 3.49Å; P51-L55 WeakPolarHBondContact O-CD1 3.4Å; P51-L55 WeakPolarHBondContact O-CG 3.24Å; P51-L55 PolarHBondContact O-N 3.37Å
52N61.3Low67.7Low108 Ų10876.2 Ų76.258%0.57846%0.456SS*.Hα-helixtrans-72.2-36.6174.7-70.8-13.5000112.3S50 S56 Q131S50-N52 VanDerWaalsContact C-N 3.26Å; S50-N52 PolarHBondContact O-N 3.39Å; N52-S56 PolarHBondContact O-N 2.92Å; N52-S56 PolarHBondContact O-OG 2.94Å; N52-Q131 PolarHBondContact O-NE2 2.75Å
53E64.3Low70Confident130 Ų13078.2 Ų78.261%0.60745%0.449SS*.Hα-helixtrans-73.6-46.3178.3-65.8-164.1117.900111S50 L55 S56 Q57S50-E53 PolarHBondContact O-N 2.63Å; S50-E53 VanDerWaalsContact O-N 3.1Å; E53-L55 VanDerWaalsContact C-N 3.35Å; E53-L55 PolarHBondContact O-N 3.17Å; E53-S56 WeakPolarHBondContact O-CA 3.4Å; E53-S56 WeakPolarHBondContact O-CB 3.41Å; E53-S56 PolarHBondContact O-N 2.7Å; E53-Q57 PolarHBondContact O-N 3.18Å
54Q64.7Low72.1Confident70 Ų7077.3 Ų77.333%0.32744%0.44SS..Hα-helixtrans-57.7-47.5178.5-174.4167.3-7.200111.3S50 S56 Q57 T58S50-Q54 PolarHBondContact O-N 3.09Å; Q54-S56 PolarHBondContact O-N 3.48Å; Q54-S56 VanDerWaalsContact O-N 3.1Å; Q54-Q57 CarbonylContact O-C 3.55Å; Q54-Q57 PolarHBondContact O-N 3.25Å; Q54-T58 HydrophobicContact CG-CG2 3.86Å; Q54-T58 PolarHBondContact O-N 3.1Å; Q54-T58 PolarHBondContact O-OG1 3.22Å; Q54-T58 VanDerWaalsContact O-OG1 3.04Å
55L73.5Confident73.9Confident64 Ų6468.9 Ų68.934%0.33540%0.401SS..Hα-helixtrans-58.4-21.5173.3-78.5173.6000114.2P51 E53 N59 D105P51-L55 WeakPolarHBondContact O-CB 3.49Å; P51-L55 WeakPolarHBondContact O-CD1 3.4Å; P51-L55 WeakPolarHBondContact O-CG 3.24Å; P51-L55 PolarHBondContact O-N 3.37Å; E53-L55 VanDerWaalsContact C-N 3.35Å; E53-L55 PolarHBondContact O-N 3.17Å; L55-N59 WeakPolarHBondContact O-CB 3.31Å; L55-N59 PolarHBondContact O-N 2.88Å; L55-D105 WeakPolarHBondContact CD2-OD2 3.38Å
56S76Confident75.8Confident49 Ų4968.2 Ų68.234%0.34340%0.395SS..Hα-helixtrans-86-11176.4-56.20000113N52 E53 Q54N52-S56 PolarHBondContact O-N 2.92Å; N52-S56 PolarHBondContact O-OG 2.94Å; E53-S56 WeakPolarHBondContact O-CA 3.4Å; E53-S56 WeakPolarHBondContact O-CB 3.41Å; E53-S56 PolarHBondContact O-N 2.7Å; Q54-S56 PolarHBondContact O-N 3.48Å; Q54-S56 VanDerWaalsContact O-N 3.1Å
57Q84.8Confident77.4Confident106 Ų10670.4 Ų70.450%0.49539%0.391SS..Hα-helixtrans-111.5-24.7178.4-62.3-179-35.100113.2E53 Q54 P109E53-Q57 PolarHBondContact O-N 3.18Å; Q54-Q57 CarbonylContact O-C 3.55Å; Q54-Q57 PolarHBondContact O-N 3.25Å; Q57-P109 HydrophobicContact CB-CB 3.92Å
58T91.5Very high79.3Confident4 Ų471.8 Ų71.83%0.02539%0.39CS..Hα-helixtrans-94.8-25.5178.258.20000114.1Q54 D105 F106 P109 A112Q54-T58 HydrophobicContact CG-CG2 3.86Å; Q54-T58 PolarHBondContact O-N 3.1Å; Q54-T58 PolarHBondContact O-OG1 3.22Å; Q54-T58 VanDerWaalsContact O-OG1 3.04Å; T58-D105 WeakPolarHBondContact CB-OD1 3.36Å; T58-D105 PolarHBondContact OG1-OD1 2.85Å; T58-F106 WeakPolarHBondContact CB-O 3.48Å; T58-F106 WeakPolarHBondContact CG2-O 3.41Å; T58-F106 PolarHBondContact O-N 2.94Å; T58-P109 HydrophobicContact CG2-CB 4.49Å; T58-A112 WeakPolarHBondContact O-CB 3.34Å
59N93.2Very high81.1Confident28 Ų2869 Ų6915%0.1537%0.37CS..EExtended strand (participates in β ladder)trans-92.8133.9-172.4-152.1-53.4000111.1L55 V104 D105 A129L55-N59 WeakPolarHBondContact O-CB 3.31Å; L55-N59 PolarHBondContact O-N 2.88Å; N59-V104 CarbonylContact C-O 3.59Å; N59-V104 WeakPolarHBondContact CA-O 3.37Å; N59-D105 VanDerWaalsContact ND2-CG 3.31Å; N59-D105 PolarHBondContact ND2-OD2 3.09Å; N59-A129 HydrophobicContact CB-CB 4.16Å; N59-A129 WeakPolarHBondContact O-CB 3.48Å; N59-A129 PolarHBondContact O-N 3.32Å
60L93.9Very high83Confident0 Ų064.1 Ų64.10%035%0.346CS..EExtended strand (participates in β ladder)trans-111.6146-176-60.6-179.9000111I62 F103 V104 F106 A112 A115 V116 Q127 M128L60-I62 HydrophobicContact CB-CG1 4.32Å; L60-F103 WeakPolarHBondContact O-CA 3.45Å; L60-V104 HydrophobicContact CB-CB 4.34Å; L60-V104 WeakPolarHBondContact CB-O 3.41Å; L60-V104 HydrophobicContact CD1-CB 4.47Å; L60-V104 PolarHBondContact N-O 2.88Å; L60-V104 PolarHBondContact O-N 3.17Å; L60-V104 VanDerWaalsContact O-N 3.13Å; L60-F106 HydrophobicContact CD1-CD2 3.88Å; L60-F106 HydrophobicContact CD1-CE2 3.53Å; L60-F106 HydrophobicContact CG-CD2 4.39Å; L60-F106 HydrophobicContact CG-CE2 4.48Å; L60-A112 HydrophobicContact CD2-CB 3.96Å; L60-A112 HydrophobicContact CG-CB 4.25Å; L60-A115 HydrophobicContact CD1-CB 3.66Å; L60-V116 HydrophobicContact CD2-CG2 3.41Å; L60-V116 VanDerWaalsContact CD2-CG2 3.41Å; L60-Q127 WeakPolarHBondContact CA-O 3.35Å; L60-M128 HydrophobicContact CD2-CE 4.3Å; L60-M128 HydrophobicContact CD2-SD 3.51Å; L60-M128 VanDerWaalsContact CD2-SD 3.51Å
61Y93.9Very high84.6Confident49 Ų4963.7 Ų63.719%0.19234%0.34CS..EExtended strand (participates in β ladder)trans-110122.4164.2174.6-99.2000108.1R63 Y101 F103 A126 Q127Y61-R63 HydrophobicContact CE1-CB 3.84Å; Y61-Y101 HydrophobicContact CD2-CD2 4.34Å; Y61-Y101 AromaticContact CE2-CD2 3.45Å; Y61-Y101 HydrophobicContact CE2-CD2 3.45Å; Y61-Y101 VanDerWaalsContact CE2-CD2 3.45Å; Y61-Y101 HydrophobicContact CE2-CE2 4.07Å; Y61-Y101 AromaticContact CE2-CG 3.99Å; Y61-Y101 HydrophobicContact CE2-CG 3.99Å; Y61-F103 HydrophobicContact CD2-CD1 4.34Å; Y61-F103 AromaticContact CD2-CE1 3.74Å; Y61-F103 HydrophobicContact CD2-CE1 3.74Å; Y61-F103 HydrophobicContact CD2-CE2 4.43Å; Y61-F103 AromaticContact CD2-CZ 3.79Å; Y61-F103 HydrophobicContact CD2-CZ 3.79Å; Y61-F103 HydrophobicContact CE2-CZ 4.28Å; Y61-A126 WeakPolarHBondContact O-CA 3.37Å; Y61-Q127 HydrophobicContact CD1-CG 3.95Å; Y61-Q127 PolarHBondContact N-O 3.47Å; Y61-Q127 PolarHBondContact O-N 3.34Å
62I94.3Very high86.1Confident0 Ų065 Ų650%034%0.335CS..EExtended strand (participates in β ladder)trans-123.3122.7-178.4-53.5163.1000108.3L60 L65 L74 Y101 G102 V104 L119 Q125 A126L60-I62 HydrophobicContact CB-CG1 4.32Å; I62-L65 HydrophobicContact CG2-CD2 3.73Å; I62-L65 HydrophobicContact CG2-CG 4.3Å; I62-L74 HydrophobicContact CD1-CD1 4.09Å; I62-Y101 CarbonylContact O-C 3.58Å; I62-Y101 WeakPolarHBondContact O-CA 3.45Å; I62-Y101 WeakPolarHBondContact O-CB 3.4Å; I62-G102 PolarHBondContact N-O 3.37Å; I62-G102 PolarHBondContact O-N 3.06Å; I62-V104 HydrophobicContact CD1-CB 4.33Å; I62-V104 HydrophobicContact CD1-CG2 3.8Å; I62-L119 HydrophobicContact CD1-CD1 3.64Å; I62-L119 HydrophobicContact CG1-CD1 4.17Å; I62-Q125 WeakPolarHBondContact CA-O 3.27Å; I62-A126 HydrophobicContact CG1-CB 4.22Å; I62-A126 HydrophobicContact CG2-CB 4.46Å
63R94.5Very high87.6Confident132 Ų13263 Ų6350%0.49833%0.325SS..EExtended strand (participates in β ladder)trans-123157.6179.1-179.4178.7-171-168.41.9110.8Y61 G100 Q125Y61-R63 HydrophobicContact CE1-CB 3.84Å; R63-G100 CarbonylContact C-O 3.56Å; R63-G100 WeakPolarHBondContact CA-O 3.22Å; R63-Q125 HydrophobicContact CB-CB 3.99Å; R63-Q125 PolarHBondContact N-O 3.45Å; R63-Q125 PolarHBondContact O-N 2.81Å
64G92Very high88.9Confident51 Ų5156.9 Ų56.953%0.52630%0.296SS..  trans9016.5-170.700000112.9G100G64-G100 PolarHBondContact N-O 3.32Å
65L92Very high90.4Very high8 Ų855.3 Ų55.34%0.04229%0.288CS..  trans-72.6150.2174.1-53.9177.4000110.4I62 I69 L74 M77 G100 Y124I62-L65 HydrophobicContact CG2-CD2 3.73Å; I62-L65 HydrophobicContact CG2-CG 4.3Å; L65-I69 HydrophobicContact CB-CD1 4.31Å; L65-I69 HydrophobicContact CB-CG2 3.91Å; L65-I69 HydrophobicContact CD1-CD1 4.32Å; L65-I69 HydrophobicContact CD1-CG2 4.19Å; L65-I69 HydrophobicContact CD2-CD1 4.05Å; L65-I69 HydrophobicContact CG-CD1 4.47Å; L65-L74 HydrophobicContact CD1-CD1 4.07Å; L65-L74 HydrophobicContact CD2-CD1 4.47Å; L65-M77 HydrophobicContact CD2-CE 3.86Å; L65-G100 PolarHBondContact N-O 2.92Å; L65-G100 VanDerWaalsContact N-O 3.1Å; L65-G100 WeakPolarHBondContact O-CA 3.42Å; L65-Y124 HydrophobicContact CD2-CD1 4.05Å; L65-Y124 HydrophobicContact CD2-CE1 4.09Å
66P91.2Very high91.3Very high61 Ų6155.8 Ų55.840%0.39629%0.29SS..  trans-74.2154.7177.132.8-36.2000111.7N68 I69P66-N68 WeakPolarHBondContact CB-OD1 3.33Å; P66-N68 PolarHBondContact O-N 3.36Å; P66-N68 VanDerWaalsContact O-N 3.13Å; P66-I69 HydrophobicContact CG-CB 4.24Å; P66-I69 WeakPolarHBondContact O-CG2 3.11Å; P66-I69 PolarHBondContact O-N 3.21Å; P66-I69 VanDerWaalsContact O-N 3.13Å
67Q89.6Confident92.1Very high134 Ų13455 Ų5563%0.62628%0.281SS*.THydrogen-bonded Turntrans-67-15.9-171.3-62.2-177.816.200114.4C98Q67-C98 VanDerWaalsContact O-CB 3.26Å; Q67-C98 WeakPolarHBondContact O-CB 3.49Å; Q67-C98 PolarHBondContact O-N 3.41Å
68N89.8Confident92.4Very high126 Ų12649.9 Ų49.967%0.67426%0.258SS*.THydrogen-bonded Turntrans-94.6-0.6177.768.2-42.1000114.1P66P66-N68 WeakPolarHBondContact CB-OD1 3.33Å; P66-N68 PolarHBondContact O-N 3.36Å; P66-N68 VanDerWaalsContact O-N 3.13Å
69I89.8Confident92.5Very high14 Ų1453.9 Ų53.97%0.07228%0.276CS..  trans-67.2136-178.3-155.3172.9000111.3L65 P66 D73 L74 C98L65-I69 HydrophobicContact CB-CD1 4.31Å; L65-I69 HydrophobicContact CB-CG2 3.91Å; L65-I69 HydrophobicContact CD1-CD1 4.32Å; L65-I69 HydrophobicContact CD1-CG2 4.19Å; L65-I69 HydrophobicContact CD2-CD1 4.05Å; L65-I69 HydrophobicContact CG-CD1 4.47Å; P66-I69 HydrophobicContact CG-CB 4.24Å; P66-I69 WeakPolarHBondContact O-CG2 3.11Å; P66-I69 PolarHBondContact O-N 3.21Å; P66-I69 VanDerWaalsContact O-N 3.13Å; I69-D73 HydrophobicContact CD1-CB 4.41Å; I69-D73 HydrophobicContact CG1-CB 3.62Å; I69-L74 HydrophobicContact CD1-CB 4.37Å; I69-C98 HydrophobicContact CG2-CB 4Å; I69-C98 WeakPolarHBondContact CG2-SG 3.41Å
70T91.6Very high92.5Very high61 Ų6158.5 Ų58.537%0.37430%0.297SS..  trans-101.9168.5171.772.10000112.1K72 D73 L74T70-K72 PolarHBondContact O-N 3.46Å; T70-K72 PolarHBondContact OG1-N 2.89Å; T70-D73 VanDerWaalsContact CB-OD2 3.31Å; T70-D73 WeakPolarHBondContact CB-OD2 3.41Å; T70-D73 WeakPolarHBondContact CG2-OD2 3.47Å; T70-D73 PolarHBondContact N-OD2 3.43Å; T70-D73 PolarHBondContact O-N 2.97Å; T70-D73 VanDerWaalsContact O-N 3.17Å; T70-D73 VanDerWaalsContact OG1-CG 3.27Å; T70-D73 PolarHBondContact OG1-N 2.97Å; T70-D73 PolarHBondContact OG1-OD2 3.39Å; T70-L74 PolarHBondContact O-N 3.11Å
71D92.4Very high92.5Very high46 Ų4659.2 Ų59.225%0.24630%0.3CS..Hα-helixtrans-56.8-29.9172.6-50.1-95.5000112.5Y75 T87 K88 A89D71-Y75 PolarHBondContact O-N 3.38Å; D71-Y75 VanDerWaalsContact O-N 3.09Å; D71-T87 PolarHBondContact O-OG1 2.86Å; D71-K88 VanDerWaalsContact OD1-CA 3.26Å; D71-K88 WeakPolarHBondContact OD1-CA 3.47Å; D71-A89 PolarHBondContact OD1-N 2.8Å
72K93.1Very high92.4Very high123 Ų12358.1 Ų58.154%0.53530%0.303SS..Hα-helixtrans-74.8-40.3177.1-175.7-178.9178.9-177.50112.1T70 L74 Y75 N76T70-K72 PolarHBondContact O-N 3.46Å; T70-K72 PolarHBondContact OG1-N 2.89Å; K72-L74 VanDerWaalsContact C-N 3.34Å; K72-Y75 WeakPolarHBondContact O-CB 3.42Å; K72-Y75 PolarHBondContact O-N 3.02Å; K72-N76 WeakPolarHBondContact O-CB 3.48Å; K72-N76 PolarHBondContact O-N 2.77Å; K72-N76 PolarHBondContact O-ND2 3.38Å
73D93.1Very high92.4Very high68 Ų6864.5 Ų64.536%0.36433%0.331SS..Hα-helixtrans-69-38177-53.2-52.5000110.8I69 T70 Y75 N76 M77I69-D73 HydrophobicContact CD1-CB 4.41Å; I69-D73 HydrophobicContact CG1-CB 3.62Å; T70-D73 VanDerWaalsContact CB-OD2 3.31Å; T70-D73 WeakPolarHBondContact CB-OD2 3.41Å; T70-D73 WeakPolarHBondContact CG2-OD2 3.47Å; T70-D73 PolarHBondContact N-OD2 3.43Å; T70-D73 PolarHBondContact O-N 2.97Å; T70-D73 VanDerWaalsContact O-N 3.17Å; T70-D73 VanDerWaalsContact OG1-CG 3.27Å; T70-D73 PolarHBondContact OG1-N 2.97Å; T70-D73 PolarHBondContact OG1-OD2 3.39Å; D73-Y75 VanDerWaalsContact C-N 3.32Å; D73-Y75 PolarHBondContact O-N 3Å; D73-N76 PolarHBondContact O-N 3.25Å; D73-M77 WeakPolarHBondContact O-CB 3.2Å; D73-M77 PolarHBondContact O-N 2.7Å
74L92.9Very high92.3Very high0 Ų058.9 Ų58.90%031%0.311CS..Hα-helixtrans-61.9-38.2172.1-175.659.3000112I62 L65 I69 T70 K72 M77 C78 T87 V104I62-L74 HydrophobicContact CD1-CD1 4.09Å; L65-L74 HydrophobicContact CD1-CD1 4.07Å; L65-L74 HydrophobicContact CD2-CD1 4.47Å; I69-L74 HydrophobicContact CD1-CB 4.37Å; T70-L74 PolarHBondContact O-N 3.11Å; K72-L74 VanDerWaalsContact C-N 3.34Å; L74-M77 HydrophobicContact CD1-CE 3.8Å; L74-C78 WeakPolarHBondContact O-CB 2.98Å; L74-C78 PolarHBondContact O-N 3.2Å; L74-C78 PolarHBondContact O-SG 3.07Å; L74-T87 HydrophobicContact CG-CG2 4.26Å; L74-V104 HydrophobicContact CD1-CG2 3.76Å; L74-V104 HydrophobicContact CD2-CG2 3.9Å; L74-V104 HydrophobicContact CG-CG2 3.59Å
75Y94.6Very high92.3Very high38 Ų3858.5 Ų58.515%0.14930%0.298CS..Hα-helixtrans-64-50.9171.6-177.1-82.4000111D71 K72 D73 M77 C78 Q79 I84 T87D71-Y75 PolarHBondContact O-N 3.38Å; D71-Y75 VanDerWaalsContact O-N 3.09Å; K72-Y75 WeakPolarHBondContact O-CB 3.42Å; K72-Y75 PolarHBondContact O-N 3.02Å; D73-Y75 VanDerWaalsContact C-N 3.32Å; D73-Y75 PolarHBondContact O-N 3Å; Y75-M77 VanDerWaalsContact C-N 3.28Å; Y75-M77 PolarHBondContact O-N 2.97Å; Y75-C78 PolarHBondContact O-N 2.96Å; Y75-Q79 HydrophobicContact CD1-CB 4.43Å; Y75-Q79 HydrophobicContact CE1-CB 4.17Å; Y75-Q79 VanDerWaalsContact CE1-OE1 3.25Å; Y75-Q79 WeakPolarHBondContact O-CB 3.46Å; Y75-Q79 PolarHBondContact O-N 3.04Å; Y75-I84 HydrophobicContact CD2-CB 4.08Å; Y75-I84 HydrophobicContact CD2-CD1 3.98Å; Y75-I84 HydrophobicContact CD2-CG2 3.89Å; Y75-I84 HydrophobicContact CE2-CB 3.83Å; Y75-I84 HydrophobicContact CE2-CD1 4.32Å; Y75-I84 HydrophobicContact CE2-CG2 4Å; Y75-I84 HydrophobicContact CG-CD1 4.29Å; Y75-T87 VanDerWaalsContact CA-CG2 3.49Å; Y75-T87 HydrophobicContact CD2-CG2 4.15Å; Y75-T87 HydrophobicContact CG-CG2 4.41Å
76N93.8Very high92.3Very high73 Ų7359.1 Ų59.139%0.3930%0.303SS..Hα-helixtrans-58.8-37.6-179.7-70.6-22.5000113K72 D73K72-N76 WeakPolarHBondContact O-CB 3.48Å; K72-N76 PolarHBondContact O-N 2.77Å; K72-N76 PolarHBondContact O-ND2 3.38Å; D73-N76 PolarHBondContact O-N 3.25Å
77M91.4Very high92.3Very high32 Ų3256.7 Ų56.716%0.15829%0.287CS..Hα-helixtrans-69.8-30.6177-175.6176.968.600112.9L65 D73 L74 Y75 Q80 L119 Y124L65-M77 HydrophobicContact CD2-CE 3.86Å; D73-M77 WeakPolarHBondContact O-CB 3.2Å; D73-M77 PolarHBondContact O-N 2.7Å; L74-M77 HydrophobicContact CD1-CE 3.8Å; Y75-M77 VanDerWaalsContact C-N 3.28Å; Y75-M77 PolarHBondContact O-N 2.97Å; M77-Q80 PolarHBondContact O-NE2 3.06Å; M77-L119 HydrophobicContact CE-CD2 4.03Å; M77-L119 HydrophobicContact CG-CD2 4.25Å; M77-L119 HydrophobicContact SD-CD2 4.15Å; M77-Y124 HydrophobicContact SD-CD2 4.43Å; M77-Y124 HydrophobicContact SD-CE2 3.72Å
78C92.3Very high92.5Very high0 Ų054.2 Ų54.20%027%0.274CS..Hα-helixtrans-103.2-24.2-170.5-630000114.4L74 Y75 Q80 Y81 I84 V104 F106L74-C78 WeakPolarHBondContact O-CB 2.98Å; L74-C78 PolarHBondContact O-N 3.2Å; L74-C78 PolarHBondContact O-SG 3.07Å; Y75-C78 PolarHBondContact O-N 2.96Å; C78-Q80 PolarHBondContact O-N 2.9Å; C78-Y81 HydrophobicContact CB-CD2 4.45Å; C78-Y81 VanDerWaalsContact O-CD2 3.28Å; C78-Y81 WeakPolarHBondContact O-CD2 3.45Å; C78-Y81 PolarHBondContact O-N 2.99Å; C78-I84 HydrophobicContact CB-CD1 3.69Å; C78-V104 HydrophobicContact CB-CG1 3.98Å; C78-V104 HydrophobicContact CB-CG2 4.45Å; C78-F106 HydrophobicContact CB-CZ 4.03Å; C78-F106 WeakPolarHBondContact O-CZ 3.49Å
79Q93.8Very high92.7Very high88 Ų8848.4 Ų48.441%0.41124%0.244SC..G310 helixtrans-57.5-26-177.264.5-178.1-15.800114Y75 Y81 G82 I84Y75-Q79 HydrophobicContact CD1-CB 4.43Å; Y75-Q79 HydrophobicContact CE1-CB 4.17Å; Y75-Q79 VanDerWaalsContact CE1-OE1 3.25Å; Y75-Q79 WeakPolarHBondContact O-CB 3.46Å; Y75-Q79 PolarHBondContact O-N 3.04Å; Q79-Y81 PolarHBondContact O-N 3.01Å; Q79-G82 PolarHBondContact O-N 3.41Å; Q79-G82 VanDerWaalsContact O-O 3.08Å; Q79-I84 HydrophobicContact CB-CD1 4.28Å
80Q93.2Very high92.8Very high124 Ų12449.3 Ų49.358%0.57925%0.248SC*.G310 helixtrans-64.2-17.3175.661.4-179.6-31.700114.2M77 C78M77-Q80 PolarHBondContact O-NE2 3.06Å; C78-Q80 PolarHBondContact O-N 2.9Å
81Y93.3Very high92.8Very high16 Ų1650.3 Ų50.36%0.06325%0.251CS..G310 helixtrans-90.4-22.6178.2-52.1-55.9000112.7C78 Q79 F106 A115 V118 L119 Q122C78-Y81 HydrophobicContact CB-CD2 4.45Å; C78-Y81 VanDerWaalsContact O-CD2 3.28Å; C78-Y81 WeakPolarHBondContact O-CD2 3.45Å; C78-Y81 PolarHBondContact O-N 2.99Å; Q79-Y81 PolarHBondContact O-N 3.01Å; Y81-F106 HydrophobicContact CD2-CZ 4.46Å; Y81-A115 HydrophobicContact CD2-CB 3.49Å; Y81-A115 VanDerWaalsContact CD2-CB 3.49Å; Y81-A115 HydrophobicContact CE2-CB 4.26Å; Y81-A115 HydrophobicContact CG-CB 3.76Å; Y81-V118 HydrophobicContact CD1-CB 4.48Å; Y81-V118 HydrophobicContact CE1-CB 3.66Å; Y81-V118 HydrophobicContact CE1-CG1 3.71Å; Y81-V118 HydrophobicContact CE1-CG2 4.03Å; Y81-V118 WeakPolarHBondContact OH-CG1 3.35Å; Y81-L119 HydrophobicContact CE2-CD1 4.23Å; Y81-L119 HydrophobicContact CE2-CD2 4.01Å; Y81-L119 HydrophobicContact CE2-CG 3.88Å; Y81-Q122 PolarHBondContact OH-NE2 3.17Å; Y81-Q122 PolarHBondContact OH-OE1 2.86Å
82G92.2Very high92.6Very high26 Ų2650.4 Ų50.427%0.26825%0.251SS..SBendtrans160.8-177.9179.300000113.1Q79 I84 F106Q79-G82 PolarHBondContact O-N 3.41Å; Q79-G82 VanDerWaalsContact O-O 3.08Å; G82-I84 PolarHBondContact O-N 2.92Å; G82-F106 WeakPolarHBondContact O-CE1 3.42Å
83K93Very high92.4Very high134 Ų13453.3 Ų53.358%0.58326%0.264SS*.  trans-66.9128.9178.2178.1-177.9154.2-149.70110.9F106 D107K83-F106 VanDerWaalsContact O-CD1 3.31Å; K83-F106 WeakPolarHBondContact O-CD1 3.28Å; K83-D107 HydrophobicContact CB-CB 3.93Å; K83-D107 HydrophobicContact CD-CB 3.91Å; K83-D107 WeakPolarHBondContact CD-OD2 3.39Å; K83-D107 VanDerWaalsContact CE-CG 3.42Å; K83-D107 VanDerWaalsContact CE-OD1 3.24Å; K83-D107 WeakPolarHBondContact CE-OD1 3.26Å; K83-D107 WeakPolarHBondContact CE-OD2 3.16Å; K83-D107 HydrophobicContact CG-CB 3.91Å; K83-D107 IonicContact NZ-OD1 3.23Å; K83-D107 PolarHBondContact NZ-OD1 3.35Å; K83-D107 IonicContact NZ-OD2 2.81Å; K83-D107 PolarHBondContact NZ-OD2 3.39Å; K83-D107 PolarHBondContact O-N 3.32Å
84I93.5Very high92.1Very high13 Ų1354.3 Ų54.37%0.06728%0.282CS..EExtended strand (participates in β ladder)trans-97.9135.7177.8-66.8172.5000109.7Y75 C78 Q79 G82 T87 V104 F106Y75-I84 HydrophobicContact CD2-CB 4.08Å; Y75-I84 HydrophobicContact CD2-CD1 3.98Å; Y75-I84 HydrophobicContact CD2-CG2 3.89Å; Y75-I84 HydrophobicContact CE2-CB 3.83Å; Y75-I84 HydrophobicContact CE2-CD1 4.32Å; Y75-I84 HydrophobicContact CE2-CG2 4Å; Y75-I84 HydrophobicContact CG-CD1 4.29Å; C78-I84 HydrophobicContact CB-CD1 3.69Å; Q79-I84 HydrophobicContact CB-CD1 4.28Å; G82-I84 PolarHBondContact O-N 2.92Å; I84-T87 HydrophobicContact CD1-CG2 4.14Å; I84-T87 HydrophobicContact CG2-CG2 3.89Å; I84-V104 HydrophobicContact CD1-CG1 4.02Å; I84-V104 HydrophobicContact CG1-CG1 4.11Å; I84-V104 HydrophobicContact CG2-CG1 4.36Å; I84-F106 HydrophobicContact CG1-CD1 4.16Å; I84-F106 HydrophobicContact CG1-CE1 3.82Å; I84-F106 HydrophobicContact CG1-CZ 4.1Å
85V92.3Very high92Very high43 Ų4358.2 Ų58.226%0.26131%0.305SS..EExtended strand (participates in β ladder)trans-86.9-44.9170.5177.40000110.4D105 D107V85-D105 HydrophobicContact CB-CB 4.46Å; V85-D105 PolarHBondContact N-O 3.1Å; V85-D107 HydrophobicContact CG2-CB 4.2Å
86S90.9Very high91.6Very high22 Ų2261.8 Ų61.815%0.15433%0.327CS..EExtended strand (participates in β ladder)trans-155.9132.9178.2-1750000112.2D105S86-D105 PolarHBondContact N-O 3.46Å; S86-D105 PolarHBondContact O-N 3.04Å
87T92.9Very high91.3Very high9 Ų962.3 Ų62.36%0.05533%0.33CS..EExtended strand (participates in β ladder)trans-98.7153.8159.653.90000110.9D71 L74 Y75 I84 F103 V104D71-T87 PolarHBondContact O-OG1 2.86Å; L74-T87 HydrophobicContact CG-CG2 4.26Å; Y75-T87 VanDerWaalsContact CA-CG2 3.49Å; Y75-T87 HydrophobicContact CD2-CG2 4.15Å; Y75-T87 HydrophobicContact CG-CG2 4.41Å; I84-T87 HydrophobicContact CD1-CG2 4.14Å; I84-T87 HydrophobicContact CG2-CG2 3.89Å; T87-F103 CarbonylContact C-O 3.59Å; T87-F103 WeakPolarHBondContact CA-O 3.49Å; T87-V104 HydrophobicContact CG2-CB 4.48Å; T87-V104 HydrophobicContact CG2-CG1 4.15Å; T87-V104 HydrophobicContact CG2-CG2 3.88Å
88K92.6Very high91.2Very high83 Ų8361.1 Ų61.136%0.36132%0.324SS..EExtended strand (participates in β ladder)trans-151114163.3-173.6162.1-172.6155.40113.3D71 I90 G102 F103D71-K88 VanDerWaalsContact OD1-CA 3.26Å; D71-K88 WeakPolarHBondContact OD1-CA 3.47Å; K88-I90 HydrophobicContact CD-CD1 4.27Å; K88-I90 HydrophobicContact CG-CD1 4.1Å; K88-G102 CarbonylContact O-C 3.55Å; K88-G102 WeakPolarHBondContact O-CA 3.16Å; K88-F103 PolarHBondContact N-O 2.67Å; K88-F103 PolarHBondContact O-N 3.17Å
89A93.2Very high91.2Very high3 Ų366.5 Ų66.53%0.02535%0.348CS..EExtended strand (participates in β ladder)trans-74.7143.6165.100000109.9D71D71-A89 PolarHBondContact OD1-N 2.8Å
90I91.9Very high91.1Very high34 Ų3463 Ų6317%0.17434%0.335CS..EExtended strand (participates in β ladder)trans-102.1104.2179.2-57.7-59.2000110K88 K99 Y101 F103K88-I90 HydrophobicContact CD-CD1 4.27Å; K88-I90 HydrophobicContact CG-CD1 4.1Å; I90-K99 HydrophobicContact CG2-CD 4.14Å; I90-K99 HydrophobicContact CG2-CG 4.45Å; I90-K99 WeakPolarHBondContact O-CB 3.22Å; I90-K99 WeakPolarHBondContact O-CG 3.2Å; I90-K99 PolarHBondContact O-N 2.85Å; I90-Y101 HydrophobicContact CB-CD2 4.03Å; I90-Y101 HydrophobicContact CB-CE2 3.74Å; I90-Y101 HydrophobicContact CG1-CD2 3.86Å; I90-Y101 HydrophobicContact CG1-CE2 3.59Å; I90-Y101 HydrophobicContact CG2-CE1 4.43Å; I90-Y101 HydrophobicContact CG2-CE2 3.89Å; I90-Y101 PolarHBondContact N-O 3.35Å; I90-F103 HydrophobicContact CD1-CD2 4.01Å; I90-F103 HydrophobicContact CD1-CE2 4.04Å; I90-F103 HydrophobicContact CG1-CD2 3.96Å; I90-F103 HydrophobicContact CG1-CE2 3.86Å
91L91.6Very high91.2Very high81 Ų8159.9 Ų59.942%0.42432%0.318SS..EExtended strand (participates in β ladder)trans-78.9146.3174.4-52-178.3000112L97 C98L91-L97 CarbonylContact C-O 3.52Å; L91-L97 WeakPolarHBondContact CA-O 3.47Å; L91-C98 HydrophobicContact CD2-CB 4.16Å
92D89.7Confident91.2Very high48 Ų4859.1 Ų59.126%0.25732%0.315SS..  trans-73.5150.6164.417353000110.9A94 T95 N96 L97 K99D92-A94 WeakPolarHBondContact OD2-CB 3.39Å; D92-A94 PolarHBondContact OD2-N 3.47Å; D92-T95 WeakPolarHBondContact CB-OG1 3.38Å; D92-T95 PolarHBondContact OD2-N 3.43Å; D92-T95 PolarHBondContact OD2-OG1 2.88Å; D92-N96 VanDerWaalsContact O-CA 3.23Å; D92-N96 WeakPolarHBondContact O-CA 3.22Å; D92-N96 PolarHBondContact O-N 3.47Å; D92-N96 VanDerWaalsContact O-N 3.12Å; D92-L97 PolarHBondContact N-O 2.92Å; D92-K99 HydrophobicContact CB-CD 4.23Å; D92-K99 HydrophobicContact CB-CG 3.84Å
93K87.6Confident91.3Very high185 Ų18560.5 Ų60.580%0.80431%0.314SS*.THydrogen-bonded Turntrans-88.8-17.7-174.3-65-166141.5-63.80114.6
94A88.2Confident91.4Very high89 Ų8954.1 Ų54.174%0.73629%0.286SS*.THydrogen-bonded Turntrans-90.3-44.9176.800000110.7D92D92-A94 WeakPolarHBondContact OD2-CB 3.39Å; D92-A94 PolarHBondContact OD2-N 3.47Å
95T89.4Confident91.4Very high81 Ų8154.4 Ų54.450%0.49729%0.288SS..THydrogen-bonded Turntrans-93.6-21-175.657.10000114.5D92 L97D92-T95 WeakPolarHBondContact CB-OG1 3.38Å; D92-T95 PolarHBondContact OD2-N 3.43Å; D92-T95 PolarHBondContact OD2-OG1 2.88Å; T95-L97 PolarHBondContact O-N 3.45Å; T95-L97 VanDerWaalsContact O-N 3.15Å; T95-L97 PolarHBondContact OG1-N 2.68Å
96N86.4Confident91.5Very high114 Ų11452.4 Ų52.461%0.6128%0.276SS*.  trans599.2-166.4-56-80.3000114.8D92D92-N96 VanDerWaalsContact O-CA 3.23Å; D92-N96 WeakPolarHBondContact O-CA 3.22Å; D92-N96 PolarHBondContact O-N 3.47Å; D92-N96 VanDerWaalsContact O-N 3.12Å
97L88.5Confident91.6Very high84 Ų8453.6 Ų53.644%0.4428%0.28SS..SBendtrans-84.9162.3173.2-64.1176.6000111.3L91 D92 T95L91-L97 CarbonylContact C-O 3.52Å; L91-L97 WeakPolarHBondContact CA-O 3.47Å; D92-L97 PolarHBondContact N-O 2.92Å; T95-L97 PolarHBondContact O-N 3.45Å; T95-L97 VanDerWaalsContact O-N 3.15Å; T95-L97 PolarHBondContact OG1-N 2.68Å
98C88.9Confident91.4Very high6 Ų654.9 Ų54.94%0.04129%0.289CS..EExtended strand (participates in β ladder)trans-74.8132.4-177.6-141.90000112.1Q67 I69 L91 G100Q67-C98 VanDerWaalsContact O-CB 3.26Å; Q67-C98 WeakPolarHBondContact O-CB 3.49Å; Q67-C98 PolarHBondContact O-N 3.41Å; I69-C98 HydrophobicContact CG2-CB 4Å; I69-C98 WeakPolarHBondContact CG2-SG 3.41Å; L91-C98 HydrophobicContact CD2-CB 4.16Å; C98-G100 PolarHBondContact O-N 2.97Å
99K92Very high91.4Very high114 Ų11453.4 Ų53.450%0.49629%0.288SS..EExtended strand (participates in β ladder)trans-72.213.1179.3-59.9-16574.7173.20114.2I90 D92 Y101I90-K99 HydrophobicContact CG2-CD 4.14Å; I90-K99 HydrophobicContact CG2-CG 4.45Å; I90-K99 WeakPolarHBondContact O-CB 3.22Å; I90-K99 WeakPolarHBondContact O-CG 3.2Å; I90-K99 PolarHBondContact O-N 2.85Å; D92-K99 HydrophobicContact CB-CD 4.23Å; D92-K99 HydrophobicContact CB-CG 3.84Å; K99-Y101 VanDerWaalsContact C-N 3.29Å; K99-Y101 HydrophobicContact CB-CD1 3.83Å; K99-Y101 HydrophobicContact CB-CE1 3.57Å; K99-Y101 HydrophobicContact CD-CE1 4.27Å; K99-Y101 WeakPolarHBondContact O-CD1 3.49Å; K99-Y101 PolarHBondContact O-N 3.44Å
100G92.6Very high91.5Very high13 Ų1361.1 Ų61.113%0.13432%0.323CS..EExtended strand (participates in β ladder)trans70.118.8-175.500000115.2R63 G64 L65 C98R63-G100 CarbonylContact C-O 3.56Å; R63-G100 WeakPolarHBondContact CA-O 3.22Å; G64-G100 PolarHBondContact N-O 3.32Å; L65-G100 PolarHBondContact N-O 2.92Å; L65-G100 VanDerWaalsContact N-O 3.1Å; L65-G100 WeakPolarHBondContact O-CA 3.42Å; C98-G100 PolarHBondContact O-N 2.97Å
101Y94Very high91.6Very high60 Ų6060.1 Ų60.124%0.23532%0.32CS..EExtended strand (participates in β ladder)trans-148.1157.7172.770.3-88.4000113.5Y61 I62 I90 K99 F103Y61-Y101 HydrophobicContact CD2-CD2 4.34Å; Y61-Y101 AromaticContact CE2-CD2 3.45Å; Y61-Y101 HydrophobicContact CE2-CD2 3.45Å; Y61-Y101 VanDerWaalsContact CE2-CD2 3.45Å; Y61-Y101 HydrophobicContact CE2-CE2 4.07Å; Y61-Y101 AromaticContact CE2-CG 3.99Å; Y61-Y101 HydrophobicContact CE2-CG 3.99Å; I62-Y101 CarbonylContact O-C 3.58Å; I62-Y101 WeakPolarHBondContact O-CA 3.45Å; I62-Y101 WeakPolarHBondContact O-CB 3.4Å; I90-Y101 HydrophobicContact CB-CD2 4.03Å; I90-Y101 HydrophobicContact CB-CE2 3.74Å; I90-Y101 HydrophobicContact CG1-CD2 3.86Å; I90-Y101 HydrophobicContact CG1-CE2 3.59Å; I90-Y101 HydrophobicContact CG2-CE1 4.43Å; I90-Y101 HydrophobicContact CG2-CE2 3.89Å; I90-Y101 PolarHBondContact N-O 3.35Å; K99-Y101 VanDerWaalsContact C-N 3.29Å; K99-Y101 HydrophobicContact CB-CD1 3.83Å; K99-Y101 HydrophobicContact CB-CE1 3.57Å; K99-Y101 HydrophobicContact CD-CE1 4.27Å; K99-Y101 WeakPolarHBondContact O-CD1 3.49Å; K99-Y101 PolarHBondContact O-N 3.44Å; Y101-F103 HydrophobicContact CD2-CE2 4.39Å; Y101-F103 HydrophobicContact CE2-CE2 4.26Å
102G94.2Very high91.7Very high0 Ų056.2 Ų56.20%030%0.3CS..EExtended strand (participates in β ladder)trans-153.8177.7-179.900000112.3I62 K88I62-G102 PolarHBondContact N-O 3.37Å; I62-G102 PolarHBondContact O-N 3.06Å; K88-G102 CarbonylContact O-C 3.55Å; K88-G102 WeakPolarHBondContact O-CA 3.16Å
103F94.4Very high91.9Very high54 Ų5458.7 Ų58.724%0.23731%0.31CS..EExtended strand (participates in β ladder)trans-125.1144.4178-63.6-92.6000110.8L60 Y61 T87 K88 I90 Y101 A129L60-F103 WeakPolarHBondContact O-CA 3.45Å; Y61-F103 HydrophobicContact CD2-CD1 4.34Å; Y61-F103 AromaticContact CD2-CE1 3.74Å; Y61-F103 HydrophobicContact CD2-CE1 3.74Å; Y61-F103 HydrophobicContact CD2-CE2 4.43Å; Y61-F103 AromaticContact CD2-CZ 3.79Å; Y61-F103 HydrophobicContact CD2-CZ 3.79Å; Y61-F103 HydrophobicContact CE2-CZ 4.28Å; T87-F103 CarbonylContact C-O 3.59Å; T87-F103 WeakPolarHBondContact CA-O 3.49Å; K88-F103 PolarHBondContact N-O 2.67Å; K88-F103 PolarHBondContact O-N 3.17Å; I90-F103 HydrophobicContact CD1-CD2 4.01Å; I90-F103 HydrophobicContact CD1-CE2 4.04Å; I90-F103 HydrophobicContact CG1-CD2 3.96Å; I90-F103 HydrophobicContact CG1-CE2 3.86Å; Y101-F103 HydrophobicContact CD2-CE2 4.39Å; Y101-F103 HydrophobicContact CE2-CE2 4.26Å; F103-A129 HydrophobicContact CD1-CB 3.98Å; F103-A129 HydrophobicContact CE1-CB 4.15Å
104V94.3Very high92.3Very high0 Ų055.2 Ų55.20%030%0.295CS..EExtended strand (participates in β ladder)trans-139.5121177.1178.50000109.4N59 L60 I62 L74 C78 I84 T87 F106N59-V104 CarbonylContact C-O 3.59Å; N59-V104 WeakPolarHBondContact CA-O 3.37Å; L60-V104 HydrophobicContact CB-CB 4.34Å; L60-V104 WeakPolarHBondContact CB-O 3.41Å; L60-V104 HydrophobicContact CD1-CB 4.47Å; L60-V104 PolarHBondContact N-O 2.88Å; L60-V104 PolarHBondContact O-N 3.17Å; L60-V104 VanDerWaalsContact O-N 3.13Å; I62-V104 HydrophobicContact CD1-CB 4.33Å; I62-V104 HydrophobicContact CD1-CG2 3.8Å; L74-V104 HydrophobicContact CD1-CG2 3.76Å; L74-V104 HydrophobicContact CD2-CG2 3.9Å; L74-V104 HydrophobicContact CG-CG2 3.59Å; C78-V104 HydrophobicContact CB-CG1 3.98Å; C78-V104 HydrophobicContact CB-CG2 4.45Å; I84-V104 HydrophobicContact CD1-CG1 4.02Å; I84-V104 HydrophobicContact CG1-CG1 4.11Å; I84-V104 HydrophobicContact CG2-CG1 4.36Å; T87-V104 HydrophobicContact CG2-CB 4.48Å; T87-V104 HydrophobicContact CG2-CG1 4.15Å; T87-V104 HydrophobicContact CG2-CG2 3.88Å; V104-F106 HydrophobicContact CB-CE2 4.48Å; V104-F106 HydrophobicContact CG1-CD2 3.95Å; V104-F106 HydrophobicContact CG1-CE2 3.51Å; V104-F106 HydrophobicContact CG1-CZ 4.14Å
105D93.7Very high92.6Very high19 Ų1951 Ų5110%0.10226%0.26CS..EExtended strand (participates in β ladder)trans-105.9119.3-179.1-156.47.5000109.5L55 T58 N59 V85 S86L55-D105 WeakPolarHBondContact CD2-OD2 3.38Å; T58-D105 WeakPolarHBondContact CB-OD1 3.36Å; T58-D105 PolarHBondContact OG1-OD1 2.85Å; N59-D105 VanDerWaalsContact ND2-CG 3.31Å; N59-D105 PolarHBondContact ND2-OD2 3.09Å; V85-D105 HydrophobicContact CB-CB 4.46Å; V85-D105 PolarHBondContact N-O 3.1Å; S86-D105 PolarHBondContact N-O 3.46Å; S86-D105 PolarHBondContact O-N 3.04Å
106F94.8Very high92.8Very high2 Ų248.4 Ų48.41%0.00924%0.244CC..EExtended strand (participates in β ladder)trans-93.2160.1179.4-81.2-90000112.5T58 L60 C78 Y81 G82 K83 I84 V104 C108 A111 A112 A115T58-F106 WeakPolarHBondContact CB-O 3.48Å; T58-F106 WeakPolarHBondContact CG2-O 3.41Å; T58-F106 PolarHBondContact O-N 2.94Å; L60-F106 HydrophobicContact CD1-CD2 3.88Å; L60-F106 HydrophobicContact CD1-CE2 3.53Å; L60-F106 HydrophobicContact CG-CD2 4.39Å; L60-F106 HydrophobicContact CG-CE2 4.48Å; C78-F106 HydrophobicContact CB-CZ 4.03Å; C78-F106 WeakPolarHBondContact O-CZ 3.49Å; Y81-F106 HydrophobicContact CD2-CZ 4.46Å; G82-F106 WeakPolarHBondContact O-CE1 3.42Å; K83-F106 VanDerWaalsContact O-CD1 3.31Å; K83-F106 WeakPolarHBondContact O-CD1 3.28Å; I84-F106 HydrophobicContact CG1-CD1 4.16Å; I84-F106 HydrophobicContact CG1-CE1 3.82Å; I84-F106 HydrophobicContact CG1-CZ 4.1Å; V104-F106 HydrophobicContact CB-CE2 4.48Å; V104-F106 HydrophobicContact CG1-CD2 3.95Å; V104-F106 HydrophobicContact CG1-CE2 3.51Å; V104-F106 HydrophobicContact CG1-CZ 4.14Å; F106-C108 VanDerWaalsContact C-N 3.32Å; F106-A111 HydrophobicContact CB-CB 4.36Å; F106-A111 HydrophobicContact CD1-CB 3.65Å; F106-A111 HydrophobicContact CE1-CB 4.22Å; F106-A111 HydrophobicContact CG-CB 4.15Å; F106-A112 HydrophobicContact CB-CB 4.21Å; F106-A112 HydrophobicContact CD2-CB 4.04Å; F106-A112 HydrophobicContact CG-CB 4.38Å; F106-A115 HydrophobicContact CE2-CB 3.82Å; F106-A115 HydrophobicContact CZ-CB 3.95Å
107D91.9Very high93.2Very high46 Ų4649 Ų4925%0.24624%0.241CC..SBendtrans-73.4-27.9174.5-153.965.7000111.8K83 V85K83-D107 HydrophobicContact CB-CB 3.93Å; K83-D107 HydrophobicContact CD-CB 3.91Å; K83-D107 WeakPolarHBondContact CD-OD2 3.39Å; K83-D107 VanDerWaalsContact CE-CG 3.42Å; K83-D107 VanDerWaalsContact CE-OD1 3.24Å; K83-D107 WeakPolarHBondContact CE-OD1 3.26Å; K83-D107 WeakPolarHBondContact CE-OD2 3.16Å; K83-D107 HydrophobicContact CG-CB 3.91Å; K83-D107 IonicContact NZ-OD1 3.23Å; K83-D107 PolarHBondContact NZ-OD1 3.35Å; K83-D107 IonicContact NZ-OD2 2.81Å; K83-D107 PolarHBondContact NZ-OD2 3.39Å; K83-D107 PolarHBondContact O-N 3.32Å; V85-D107 HydrophobicContact CG2-CB 4.2Å
108C90.2Very high93.5Very high37 Ų3747.3 Ų47.325%0.2523%0.234CC..SBendtrans-130.4136.8-176.1-53.40000111.1F106 E110 A111 A112F106-C108 VanDerWaalsContact C-N 3.32Å; C108-E110 VanDerWaalsContact C-N 3.33Å; C108-E110 PolarHBondContact O-N 3.06Å; C108-A111 HydrophobicContact CB-CB 4.41Å; C108-A111 WeakPolarHBondContact O-CB 3.37Å; C108-A111 PolarHBondContact O-N 3.47Å; C108-A112 PolarHBondContact O-N 2.9Å
109P92.8Very high93.8Very high51 Ų5147 Ų4733%0.33123%0.232SC..Hα-helixtrans-66.8-30.8179.826.8-34.6000113.2Q57 T58 A111 A112 E113Q57-P109 HydrophobicContact CB-CB 3.92Å; T58-P109 HydrophobicContact CG2-CB 4.49Å; P109-A111 VanDerWaalsContact C-N 3.29Å; P109-A111 PolarHBondContact O-N 3.27Å; P109-A112 WeakPolarHBondContact O-CB 3.19Å; P109-A112 PolarHBondContact O-N 3.28Å; P109-A112 VanDerWaalsContact O-N 3.17Å; P109-E113 PolarHBondContact O-N 2.81Å
110E94Very high93.8Very high165 Ų16544.2 Ų44.277%0.77123%0.227SC*.Hα-helixtrans-60.3-38.2174.3-171.3-173.6175.800112.1C108 E113 K114C108-E110 VanDerWaalsContact C-N 3.33Å; C108-E110 PolarHBondContact O-N 3.06Å; E110-E113 PolarHBondContact O-N 3.29Å; E110-K114 WeakPolarHBondContact O-CB 3.42Å; E110-K114 PolarHBondContact O-N 3.09Å
111A94.6Very high93.8Very high13 Ų1348.3 Ų48.311%0.10725%0.253CS..Hα-helixtrans-68.3-38.8176.100000111.7F106 C108 P109 K114 A115F106-A111 HydrophobicContact CB-CB 4.36Å; F106-A111 HydrophobicContact CD1-CB 3.65Å; F106-A111 HydrophobicContact CE1-CB 4.22Å; F106-A111 HydrophobicContact CG-CB 4.15Å; C108-A111 HydrophobicContact CB-CB 4.41Å; C108-A111 WeakPolarHBondContact O-CB 3.37Å; C108-A111 PolarHBondContact O-N 3.47Å; P109-A111 VanDerWaalsContact C-N 3.29Å; P109-A111 PolarHBondContact O-N 3.27Å; A111-K114 PolarHBondContact O-N 3.27Å; A111-A115 WeakPolarHBondContact O-CB 3.15Å; A111-A115 PolarHBondContact O-N 3.31Å
112A94.2Very high93.7Very high0 Ų050.1 Ų50.10%026%0.264CS..Hα-helixtrans-63.6-46.1173.600000111.6T58 L60 F106 C108 P109 K114 A115 V116 M128T58-A112 WeakPolarHBondContact O-CB 3.34Å; L60-A112 HydrophobicContact CD2-CB 3.96Å; L60-A112 HydrophobicContact CG-CB 4.25Å; F106-A112 HydrophobicContact CB-CB 4.21Å; F106-A112 HydrophobicContact CD2-CB 4.04Å; F106-A112 HydrophobicContact CG-CB 4.38Å; C108-A112 PolarHBondContact O-N 2.9Å; P109-A112 WeakPolarHBondContact O-CB 3.19Å; P109-A112 PolarHBondContact O-N 3.28Å; P109-A112 VanDerWaalsContact O-N 3.17Å; A112-K114 PolarHBondContact O-N 2.97Å; A112-A115 WeakPolarHBondContact O-CB 3.4Å; A112-A115 PolarHBondContact O-N 3.12Å; A112-V116 WeakPolarHBondContact O-CG2 3.34Å; A112-V116 PolarHBondContact O-N 2.96Å; A112-M128 HydrophobicContact CB-CE 3.87Å; A112-M128 HydrophobicContact CB-SD 4.21Å
113E94Very high93.6Very high99 Ų9953.3 Ų53.346%0.46330%0.297SS..Hα-helixtrans-60.2-42.9175.4-88.8-159.6-138.500112.7P109 E110 A115 V116 K117 M128P109-E113 PolarHBondContact O-N 2.81Å; E110-E113 PolarHBondContact O-N 3.29Å; E113-A115 VanDerWaalsContact C-N 3.34Å; E113-V116 PolarHBondContact O-N 2.89Å; E113-K117 WeakPolarHBondContact O-CD 3.44Å; E113-K117 VanDerWaalsContact O-CG 3.27Å; E113-K117 WeakPolarHBondContact O-CG 3.49Å; E113-K117 PolarHBondContact O-N 3.13Å; E113-K117 VanDerWaalsContact O-N 3.11Å; E113-K117 WeakPolarHBondContact OE2-CE 3.46Å; E113-K117 IonicContact OE2-NZ 2.7Å; E113-K117 PolarHBondContact OE2-NZ 2.76Å; E113-M128 HydrophobicContact CB-CE 4.23Å; E113-M128 HydrophobicContact CG-CE 3.57Å
114K94.6Very high93.6Very high112 Ų11253.8 Ų53.849%0.48730%0.298SS..Hα-helixtrans-61.5-43.3175.3-175.1-177178.1-170.70111E110 A111 A112 K117 V118E110-K114 WeakPolarHBondContact O-CB 3.42Å; E110-K114 PolarHBondContact O-N 3.09Å; A111-K114 PolarHBondContact O-N 3.27Å; A112-K114 PolarHBondContact O-N 2.97Å; K114-K117 PolarHBondContact O-N 3.09Å; K114-V118 WeakPolarHBondContact O-CG2 3.31Å; K114-V118 PolarHBondContact O-N 3.29Å; K114-V118 VanDerWaalsContact O-N 3.07Å
115A94.9Very high93.5Very high0 Ų059.6 Ų59.60%033%0.325CS..Hα-helixtrans-62.3-44.8175.800000112.2L60 Y81 F106 A111 A112 E113 K117 V118 L119L60-A115 HydrophobicContact CD1-CB 3.66Å; Y81-A115 HydrophobicContact CD2-CB 3.49Å; Y81-A115 VanDerWaalsContact CD2-CB 3.49Å; Y81-A115 HydrophobicContact CE2-CB 4.26Å; Y81-A115 HydrophobicContact CG-CB 3.76Å; F106-A115 HydrophobicContact CE2-CB 3.82Å; F106-A115 HydrophobicContact CZ-CB 3.95Å; A111-A115 WeakPolarHBondContact O-CB 3.15Å; A111-A115 PolarHBondContact O-N 3.31Å; A112-A115 WeakPolarHBondContact O-CB 3.4Å; A112-A115 PolarHBondContact O-N 3.12Å; E113-A115 VanDerWaalsContact C-N 3.34Å; A115-K117 PolarHBondContact O-N 3.46Å; A115-V118 PolarHBondContact O-N 2.84Å; A115-L119 HydrophobicContact CB-CD1 4.32Å; A115-L119 WeakPolarHBondContact O-CB 3.48Å; A115-L119 WeakPolarHBondContact O-CD1 3.49Å; A115-L119 VanDerWaalsContact O-CG 3.22Å; A115-L119 WeakPolarHBondContact O-CG 3.31Å; A115-L119 PolarHBondContact O-N 3.19Å
116V94.7Very high93.5Very high28 Ų2859.1 Ų59.117%0.1732%0.324CS..Hα-helixtrans-53.9-53173.8171.90000110.7L60 A112 E113 V118 S120 M128L60-V116 HydrophobicContact CD2-CG2 3.41Å; L60-V116 VanDerWaalsContact CD2-CG2 3.41Å; A112-V116 WeakPolarHBondContact O-CG2 3.34Å; A112-V116 PolarHBondContact O-N 2.96Å; E113-V116 PolarHBondContact O-N 2.89Å; V116-V118 PolarHBondContact O-N 3.09Å; V116-S120 WeakPolarHBondContact O-CB 3.48Å; V116-S120 PolarHBondContact O-N 3.48Å; V116-S120 PolarHBondContact O-OG 3.2Å; V116-M128 HydrophobicContact CG2-CE 4.29Å; V116-M128 HydrophobicContact CG2-SD 4.36Å
117K94.7Very high93.5Very high127 Ų12763.6 Ų63.655%0.55235%0.345SS*.Hα-helixtrans-61.2-44.9-174.2-68.3161.3-167.3169.70111.4E113 K114 A115 S121E113-K117 WeakPolarHBondContact O-CD 3.44Å; E113-K117 VanDerWaalsContact O-CG 3.27Å; E113-K117 WeakPolarHBondContact O-CG 3.49Å; E113-K117 PolarHBondContact O-N 3.13Å; E113-K117 VanDerWaalsContact O-N 3.11Å; E113-K117 WeakPolarHBondContact OE2-CE 3.46Å; E113-K117 IonicContact OE2-NZ 2.7Å; E113-K117 PolarHBondContact OE2-NZ 2.76Å; K114-K117 PolarHBondContact O-N 3.09Å; A115-K117 PolarHBondContact O-N 3.46Å; K117-S121 PolarHBondContact O-N 2.96Å
118V94.6Very high93.5Very high47 Ų4763.9 Ų63.929%0.28535%0.345SS..Hα-helixtrans-75.3-46.5-179.9-176.70000112.4Y81 K114 A115 V116 S120 S121 Q122Y81-V118 HydrophobicContact CD1-CB 4.48Å; Y81-V118 HydrophobicContact CE1-CB 3.66Å; Y81-V118 HydrophobicContact CE1-CG1 3.71Å; Y81-V118 HydrophobicContact CE1-CG2 4.03Å; Y81-V118 WeakPolarHBondContact OH-CG1 3.35Å; K114-V118 WeakPolarHBondContact O-CG2 3.31Å; K114-V118 PolarHBondContact O-N 3.29Å; K114-V118 VanDerWaalsContact O-N 3.07Å; A115-V118 PolarHBondContact O-N 2.84Å; V116-V118 PolarHBondContact O-N 3.09Å; V118-S120 VanDerWaalsContact C-N 3.27Å; V118-S120 PolarHBondContact O-N 3Å; V118-S121 PolarHBondContact O-N 2.77Å; V118-S121 PolarHBondContact O-OG 2.79Å; V118-Q122 HydrophobicContact CG1-CG 4.49Å; V118-Q122 WeakPolarHBondContact O-CG 3.26Å; V118-Q122 PolarHBondContact O-N 2.78Å
119L93.8Very high93.5Very high0 Ų062.4 Ų62.40%034%0.336CS..Hα-helixtrans-61.7-36.2179.6-69.7168.3000111.9I62 M77 Y81 A115 Q122 G123 Y124 A126I62-L119 HydrophobicContact CD1-CD1 3.64Å; I62-L119 HydrophobicContact CG1-CD1 4.17Å; M77-L119 HydrophobicContact CE-CD2 4.03Å; M77-L119 HydrophobicContact CG-CD2 4.25Å; M77-L119 HydrophobicContact SD-CD2 4.15Å; Y81-L119 HydrophobicContact CE2-CD1 4.23Å; Y81-L119 HydrophobicContact CE2-CD2 4.01Å; Y81-L119 HydrophobicContact CE2-CG 3.88Å; A115-L119 HydrophobicContact CB-CD1 4.32Å; A115-L119 WeakPolarHBondContact O-CB 3.48Å; A115-L119 WeakPolarHBondContact O-CD1 3.49Å; A115-L119 VanDerWaalsContact O-CG 3.22Å; A115-L119 WeakPolarHBondContact O-CG 3.31Å; A115-L119 PolarHBondContact O-N 3.19Å; L119-Q122 PolarHBondContact O-N 2.79Å; L119-Q122 VanDerWaalsContact O-N 3.17Å; L119-G123 PolarHBondContact O-N 3.42Å; L119-Y124 HydrophobicContact CB-CD2 4.48Å; L119-Y124 HydrophobicContact CD2-CD2 3.88Å; L119-Y124 HydrophobicContact CD2-CE2 4.36Å; L119-Y124 WeakPolarHBondContact O-CB 3.38Å; L119-Y124 PolarHBondContact O-N 3.28Å; L119-Y124 VanDerWaalsContact O-N 3.09Å; L119-A126 HydrophobicContact CB-CB 3.58Å; L119-A126 HydrophobicContact CD1-CB 4.22Å
120S93.4Very high93Very high56 Ų5668.7 Ų68.739%0.39236%0.358SS..Hα-helixtrans-61.3-42.2172.5-58.40000112.2V116 V118 Q122 G123 Y124 A126V116-S120 WeakPolarHBondContact O-CB 3.48Å; V116-S120 PolarHBondContact O-N 3.48Å; V116-S120 PolarHBondContact O-OG 3.2Å; V118-S120 VanDerWaalsContact C-N 3.27Å; V118-S120 PolarHBondContact O-N 3Å; S120-Q122 PolarHBondContact O-N 3.03Å; S120-G123 PolarHBondContact O-N 2.9Å; S120-Y124 WeakPolarHBondContact CA-O 3.35Å; S120-A126 PolarHBondContact OG-O 3.35Å
121S93Very high91.9Very high98 Ų9864.9 Ų64.969%0.68534%0.34SS*.Hα-helixtrans-68.7-21.3175.874.70000113.8K117 V118 G123K117-S121 PolarHBondContact O-N 2.96Å; V118-S121 PolarHBondContact O-N 2.77Å; V118-S121 PolarHBondContact O-OG 2.79Å; S121-G123 VanDerWaalsContact C-N 3.3Å
122Q91.7Very high90.6Very high98 Ų9872.7 Ų72.746%0.45837%0.374SS..THydrogen-bonded Turntrans-850.3174.8-69172.1-7.300113.2Y81 V118 L119 S120 Y124Y81-Q122 PolarHBondContact OH-NE2 3.17Å; Y81-Q122 PolarHBondContact OH-OE1 2.86Å; V118-Q122 HydrophobicContact CG1-CG 4.49Å; V118-Q122 WeakPolarHBondContact O-CG 3.26Å; V118-Q122 PolarHBondContact O-N 2.78Å; L119-Q122 PolarHBondContact O-N 2.79Å; L119-Q122 VanDerWaalsContact O-N 3.17Å; S120-Q122 PolarHBondContact O-N 3.03Å; Q122-Y124 HydrophobicContact CB-CD2 4.07Å; Q122-Y124 HydrophobicContact CB-CE2 4.3Å
123G91.7Very high89.2Confident67 Ų6780.5 Ų80.569%0.69141%0.411SS*.THydrogen-bonded Turntrans91.11.5179.200000115.2L119 S120 S121L119-G123 PolarHBondContact O-N 3.42Å; S120-G123 PolarHBondContact O-N 2.9Å; S121-G123 VanDerWaalsContact C-N 3.3Å
124Y93.1Very high87.8Confident64 Ų6479.6 Ų79.625%0.25141%0.407SS..  trans-80.3142.7171.3-61.3-68.6000111L65 M77 L119 S120 Q122 A126L65-Y124 HydrophobicContact CD2-CD1 4.05Å; L65-Y124 HydrophobicContact CD2-CE1 4.09Å; M77-Y124 HydrophobicContact SD-CD2 4.43Å; M77-Y124 HydrophobicContact SD-CE2 3.72Å; L119-Y124 HydrophobicContact CB-CD2 4.48Å; L119-Y124 HydrophobicContact CD2-CD2 3.88Å; L119-Y124 HydrophobicContact CD2-CE2 4.36Å; L119-Y124 WeakPolarHBondContact O-CB 3.38Å; L119-Y124 PolarHBondContact O-N 3.28Å; L119-Y124 VanDerWaalsContact O-N 3.09Å; S120-Y124 WeakPolarHBondContact CA-O 3.35Å; Q122-Y124 HydrophobicContact CB-CD2 4.07Å; Q122-Y124 HydrophobicContact CB-CE2 4.3Å; Y124-A126 VanDerWaalsContact C-N 3.25Å; Y124-A126 PolarHBondContact O-N 2.75Å
125Q93.5Very high86.9Confident122 Ų12276.3 Ų76.357%0.5739%0.394SS*.EExtended strand (participates in β ladder)trans-80.476.8170.9-69.8-179.9-14.200109.2I62 R63I62-Q125 WeakPolarHBondContact CA-O 3.27Å; R63-Q125 HydrophobicContact CB-CB 3.99Å; R63-Q125 PolarHBondContact N-O 3.45Å; R63-Q125 PolarHBondContact O-N 2.81Å
126A94.1Very high86.4Confident10 Ų1079.9 Ų79.98%0.08342%0.417CS..EExtended strand (participates in β ladder)trans-94.6137.5176.700000111.4Y61 I62 L119 S120 Y124Y61-A126 WeakPolarHBondContact O-CA 3.37Å; I62-A126 HydrophobicContact CG1-CB 4.22Å; I62-A126 HydrophobicContact CG2-CB 4.46Å; L119-A126 HydrophobicContact CB-CB 3.58Å; L119-A126 HydrophobicContact CD1-CB 4.22Å; S120-A126 PolarHBondContact OG-O 3.35Å; Y124-A126 VanDerWaalsContact C-N 3.25Å; Y124-A126 PolarHBondContact O-N 2.75Å
127Q93.5Very high86.2Confident95 Ų9579.4 Ų79.444%0.44442%0.415SS..EExtended strand (participates in β ladder)trans-157.3168.7176.550.9161.795.300109.8L60 Y61 A129L60-Q127 WeakPolarHBondContact CA-O 3.35Å; Y61-Q127 HydrophobicContact CD1-CG 3.95Å; Y61-Q127 PolarHBondContact N-O 3.47Å; Y61-Q127 PolarHBondContact O-N 3.34Å; Q127-A129 PolarHBondContact O-N 2.78Å
128M93.4Very high86.2Confident52 Ų5275 Ų7526%0.25640%0.397SS..EExtended strand (participates in β ladder)trans-61.4137166.4-64-56.4178.400110.3L60 A112 E113 V116 K130L60-M128 HydrophobicContact CD2-CE 4.3Å; L60-M128 HydrophobicContact CD2-SD 3.51Å; L60-M128 VanDerWaalsContact CD2-SD 3.51Å; A112-M128 HydrophobicContact CB-CE 3.87Å; A112-M128 HydrophobicContact CB-SD 4.21Å; E113-M128 HydrophobicContact CB-CE 4.23Å; E113-M128 HydrophobicContact CG-CE 3.57Å; V116-M128 HydrophobicContact CG2-CE 4.29Å; V116-M128 HydrophobicContact CG2-SD 4.36Å; M128-K130 PolarHBondContact O-N 2.98Å; M128-K130 VanDerWaalsContact O-N 3.12Å
129A89.6Confident86.2Confident7 Ų772.8 Ų72.86%0.05838%0.384CS..  trans-74.499.3173.200000108.6N59 F103 Q127 Q131N59-A129 HydrophobicContact CB-CB 4.16Å; N59-A129 WeakPolarHBondContact O-CB 3.48Å; N59-A129 PolarHBondContact O-N 3.32Å; F103-A129 HydrophobicContact CD1-CB 3.98Å; F103-A129 HydrophobicContact CE1-CB 4.15Å; Q127-A129 PolarHBondContact O-N 2.78Å; A129-Q131 PolarHBondContact O-N 3.39Å; A129-Q131 VanDerWaalsContact O-N 3.09Å
130K81.8Confident86.2Confident183 Ų18375.6 Ų75.680%0.79640%0.395SS*.  trans-55120162.8-64.5-170.8177.1-171.50107.6M128 Q132M128-K130 PolarHBondContact O-N 2.98Å; M128-K130 VanDerWaalsContact O-N 3.12Å; K130-Q132 PolarHBondContact O-N 2.88Å
131Q70.9Confident86.3Confident85 Ų8573 Ų7340%0.39738%0.376SS..  trans-56.3132.3167.1-69-164.713.100107.9N52 A129 E133N52-Q131 PolarHBondContact O-NE2 2.75Å; A129-Q131 PolarHBondContact O-N 3.39Å; A129-Q131 VanDerWaalsContact O-N 3.09Å; Q131-E133 VanDerWaalsContact C-N 3.32Å; Q131-E133 PolarHBondContact O-N 3.1Å
132Q67.7Low86.3Confident177 Ų17768.5 Ų68.583%0.82735%0.345SS*.  trans-71.898.8168.2-174.9170.212.200106.7K130 Q134K130-Q132 PolarHBondContact O-N 2.88Å; Q132-Q134 PolarHBondContact O-N 2.94Å
133E64.9Low86.3Confident164 Ų16466.6 Ų66.677%0.76634%0.338SS*.  trans-53.7137.9-179.8-170.7167.6-167.200110.2Q131 D135Q131-E133 VanDerWaalsContact C-N 3.32Å; Q131-E133 PolarHBondContact O-N 3.1Å; E133-D135 PolarHBondContact O-N 2.99Å
134Q65.2Low86.3Confident80 Ų8063.6 Ų63.637%0.37431%0.307SS..  trans-78.688.9-177.5-62.5-166.5-65.100108.5Q132 P136 S217 K219Q132-Q134 PolarHBondContact O-N 2.94Å; Q134-P136 WeakPolarHBondContact O-CD 3.38Å; Q134-S217 PolarHBondContact NE2-O 2.95Å; Q134-K219 VanDerWaalsContact NE2-CD 3.28Å; Q134-K219 VanDerWaalsContact NE2-CE 3.25Å
135D74.2Confident86.1Confident43 Ų4361 Ų6123%0.2330%0.297CS..  trans-42103.9178.1-61.6-74.9000111.1E133 T137 N138 R183E133-D135 PolarHBondContact O-N 2.99Å; D135-T137 PolarHBondContact O-N 2.82Å; D135-T137 VanDerWaalsContact O-N 3.1Å; D135-N138 HydrophobicContact CB-CB 3.9Å; D135-N138 PolarHBondContact O-N 3.19Å; D135-R183 VanDerWaalsContact CG-NE 3.27Å; D135-R183 IonicContact OD1-CZ 2.95Å; D135-R183 IonicContact OD1-NE 3.72Å; D135-R183 PolarHBondContact OD1-NE 2.88Å; D135-R183 IonicContact OD1-NH2 2.99Å; D135-R183 PolarHBondContact OD1-NH2 3.1Å; D135-R183 IonicContact OD2-CZ 2.76Å; D135-R183 IonicContact OD2-NE 2.6Å; D135-R183 PolarHBondContact OD2-NE 2.99Å; D135-R183 IonicContact OD2-NH2 3.43Å; D135-R183 PolarHBondContact OD2-NH2 2.77Å
136P84.4Confident85.8Confident74 Ų7459.4 Ų59.448%0.48130%0.296SS..THydrogen-bonded Turntrans-73.9-6.1-17530.9-35.1000112Q134 F214Q134-P136 WeakPolarHBondContact O-CD 3.38Å; P136-F214 VanDerWaalsContact O-CE1 3.31Å; P136-F214 WeakPolarHBondContact O-CE1 3.21Å
137T91.9Very high85.6Confident19 Ų1963.3 Ų63.312%0.11732%0.323CS..THydrogen-bonded Turntrans-104.413-179.372.20000113D135 R183 M184 S186 R187 C190D135-T137 PolarHBondContact O-N 2.82Å; D135-T137 VanDerWaalsContact O-N 3.1Å; T137-R183 WeakPolarHBondContact O-CA 3.24Å; T137-R183 WeakPolarHBondContact OG1-CG 3.31Å; T137-M184 WeakPolarHBondContact CB-O 3.31Å; T137-M184 PolarHBondContact O-N 3.34Å; T137-M184 PolarHBondContact OG1-O 2.97Å; T137-S186 VanDerWaalsContact CG2-C 3.42Å; T137-R187 HydrophobicContact CG2-CB 4.45Å; T137-C190 WeakPolarHBondContact CA-SG 3.41Å; T137-C190 PolarHBondContact O-SG 3.12Å
138N93.5Very high85.4Confident35 Ų3560.3 Ų60.319%0.18731%0.307CS..EExtended strand (participates in β ladder)trans-92.7121.9179.1-166.7-4.7000111D135 A215D135-N138 HydrophobicContact CB-CB 3.9Å; D135-N138 PolarHBondContact O-N 3.19Å; N138-A215 HydrophobicContact CB-CB 4.14Å; N138-A215 WeakPolarHBondContact O-CB 3.19Å; N138-A215 PolarHBondContact O-N 2.75Å
139L94.6Very high85.4Confident0 Ų060.4 Ų60.40%031%0.311CS..EExtended strand (participates in β ladder)trans-100142.6178.2-68.1173.1000111.2L141 F181 A182 M184 C190 I193 I194 V212 K213L139-L141 HydrophobicContact CB-CD1 4.11Å; L139-F181 VanDerWaalsContact O-CA 3.24Å; L139-F181 WeakPolarHBondContact O-CA 3.48Å; L139-A182 WeakPolarHBondContact CB-O 3.39Å; L139-A182 PolarHBondContact N-O 2.8Å; L139-A182 PolarHBondContact O-N 3.06Å; L139-M184 HydrophobicContact CD1-CG 4.13Å; L139-C190 HydrophobicContact CD1-CB 4.4Å; L139-C190 HydrophobicContact CD2-CB 3.76Å; L139-C190 HydrophobicContact CG-CB 4.11Å; L139-I193 HydrophobicContact CD1-CB 4.07Å; L139-I193 HydrophobicContact CD1-CD1 4.13Å; L139-I193 HydrophobicContact CD1-CG2 3.47Å; L139-I193 VanDerWaalsContact CD1-CG2 3.47Å; L139-I194 HydrophobicContact CD2-CD1 3.69Å; L139-I194 HydrophobicContact CD2-CG1 3.72Å; L139-V212 HydrophobicContact CD1-CG1 4.48Å; L139-V212 HydrophobicContact CD2-CG1 4.28Å; L139-K213 WeakPolarHBondContact CA-O 3.39Å
140Y94.9Very high85.6Confident59 Ų5962.8 Ų62.823%0.23132%0.321CS..EExtended strand (participates in β ladder)trans-104.6125.3165.7172.8-91.7000108.7A142 V179 F181 L211 K213Y140-A142 HydrophobicContact CE1-CB 3.62Å; Y140-V179 HydrophobicContact CD2-CG1 4.19Å; Y140-V179 HydrophobicContact CE2-CG1 3.42Å; Y140-V179 VanDerWaalsContact CE2-CG1 3.42Å; Y140-F181 HydrophobicContact CD2-CD1 4.47Å; Y140-F181 AromaticContact CD2-CE1 3.77Å; Y140-F181 HydrophobicContact CD2-CE1 3.77Å; Y140-F181 HydrophobicContact CD2-CE2 4.23Å; Y140-F181 AromaticContact CD2-CZ 3.64Å; Y140-F181 HydrophobicContact CD2-CZ 3.64Å; Y140-F181 HydrophobicContact CE2-CZ 4.18Å; Y140-L211 HydrophobicContact CE1-CD2 4.25Å; Y140-K213 HydrophobicContact CD1-CD 4.38Å; Y140-K213 HydrophobicContact CD1-CG 3.96Å; Y140-K213 PolarHBondContact N-O 3.18Å; Y140-K213 PolarHBondContact O-N 2.83Å
141L94.4Very high86.1Confident0 Ų060.3 Ų60.30%031%0.31CS..EExtended strand (participates in β ladder)trans-116.6132.6175.6-58.696.9000109.3L139 L144 L153 V179 G180 A182 L210 L211 V212L139-L141 HydrophobicContact CB-CD1 4.11Å; L141-L144 HydrophobicContact CB-CD1 4.25Å; L141-L144 HydrophobicContact CB-CD2 4.23Å; L141-L144 HydrophobicContact CB-CG 4.33Å; L141-L153 HydrophobicContact CD1-CD1 4.13Å; L141-L153 HydrophobicContact CD1-CD2 4.39Å; L141-L153 HydrophobicContact CD2-CD1 3.7Å; L141-L153 HydrophobicContact CG-CD1 4.47Å; L141-V179 CarbonylContact O-C 3.47Å; L141-V179 WeakPolarHBondContact O-CA 3.26Å; L141-G180 PolarHBondContact N-O 2.97Å; L141-G180 PolarHBondContact O-N 2.9Å; L141-A182 HydrophobicContact CD1-CB 4.01Å; L141-L210 HydrophobicContact CB-CD1 4.49Å; L141-L210 HydrophobicContact CD2-CD1 4.44Å; L141-L211 CarbonylContact C-O 3.56Å; L141-L211 VanDerWaalsContact CA-O 3.31Å; L141-L211 WeakPolarHBondContact CA-O 3.48Å; L141-V212 HydrophobicContact CD2-CG1 4.36Å; L141-V212 HydrophobicContact CD2-CG2 4.03Å; L141-V212 HydrophobicContact CG-CG1 4.23Å; L141-V212 HydrophobicContact CG-CG2 4.38Å
142A92.9Very high87.2Confident4 Ų458.9 Ų58.93%0.03331%0.305CS..EExtended strand (participates in β ladder)trans-134.5162175.200000111.6Y140 L144 G178 V179 L211Y140-A142 HydrophobicContact CE1-CB 3.62Å; A142-L144 VanDerWaalsContact C-N 3.28Å; A142-G178 CarbonylContact C-O 3.56Å; A142-G178 WeakPolarHBondContact CA-O 3.24Å; A142-V179 HydrophobicContact CB-CG2 4.09Å; A142-L211 HydrophobicContact CB-CB 4.27Å; A142-L211 HydrophobicContact CB-CD2 4.32Å; A142-L211 PolarHBondContact N-O 2.93Å; A142-L211 PolarHBondContact O-N 3.26Å
143N92.1Very high88.4Confident58 Ų5850.4 Ų50.431%0.3127%0.265SS..SBendtrans66.231.6-169.9-45.1-10.9000112G178 E208 V209N143-G178 PolarHBondContact N-O 3.28Å; N143-E208 HydrophobicContact CB-CB 3.88Å; N143-V209 WeakPolarHBondContact CB-O 3.16Å; N143-V209 PolarHBondContact ND2-O 2.83Å
144L91.1Very high89.8Confident5 Ų547.3 Ų47.33%0.02625%0.251CS..  trans-69141.1168.4-62.1175.1000109.6L141 A142 W148 G178 L202 L210L141-L144 HydrophobicContact CB-CD1 4.25Å; L141-L144 HydrophobicContact CB-CD2 4.23Å; L141-L144 HydrophobicContact CB-CG 4.33Å; A142-L144 VanDerWaalsContact C-N 3.28Å; L144-W148 HydrophobicContact CD2-CE3 3.87Å; L144-W148 HydrophobicContact CD2-CZ3 3.98Å; L144-G178 PolarHBondContact N-O 2.6Å; L144-G178 WeakPolarHBondContact O-CA 3.31Å; L144-L202 HydrophobicContact CD2-CD1 4.29Å; L144-L210 HydrophobicContact CD2-CD1 3.6Å; L144-L210 HydrophobicContact CG-CD1 4.45Å
145P89.1Confident91.1Very high9 Ų949.4 Ų49.46%0.05826%0.261CS..  trans-57144.2174.8-24.333.4000112.4S147 W148 A205P145-S147 PolarHBondContact O-N 2.77Å; P145-S147 VanDerWaalsContact O-N 3.13Å; P145-W148 HydrophobicContact CB-CG 4.26Å; P145-W148 HydrophobicContact CG-CD2 4.46Å; P145-W148 HydrophobicContact CG-CG 4.25Å; P145-W148 WeakPolarHBondContact O-CB 3.49Å; P145-W148 PolarHBondContact O-N 2.75Å; P145-A205 HydrophobicContact CG-CB 4.04Å
146V88.1Confident91.9Very high89 Ų8948.9 Ų48.954%0.53926%0.258SS..THydrogen-bonded Turntrans-61.2-27.2-177.9-174.80000112.2W148 S176V146-W148 VanDerWaalsContact C-N 3.29Å; V146-W148 PolarHBondContact O-N 2.86Å; V146-S176 WeakPolarHBondContact O-CB 3.45Å
147S89Confident92.3Very high92 Ų9245.4 Ų45.464%0.64324%0.235SC*.THydrogen-bonded Turntrans-74-9.3175.456.10000114.9P145P145-S147 PolarHBondContact O-N 2.77Å; P145-S147 VanDerWaalsContact O-N 3.13Å
148W89.7Confident92.3Very high32 Ų3247.3 Ų47.312%0.12125%0.253CS..  trans-74142.6-175.8-84.633.4000113.1L144 P145 V146 N152 L156 I168 L202L144-W148 HydrophobicContact CD2-CE3 3.87Å; L144-W148 HydrophobicContact CD2-CZ3 3.98Å; P145-W148 HydrophobicContact CB-CG 4.26Å; P145-W148 HydrophobicContact CG-CD2 4.46Å; P145-W148 HydrophobicContact CG-CG 4.25Å; P145-W148 WeakPolarHBondContact O-CB 3.49Å; P145-W148 PolarHBondContact O-N 2.75Å; V146-W148 VanDerWaalsContact C-N 3.29Å; V146-W148 PolarHBondContact O-N 2.86Å; W148-N152 HydrophobicContact CD2-CB 4.06Å; W148-N152 HydrophobicContact CE3-CB 4.24Å; W148-N152 HydrophobicContact CG-CB 4.2Å; W148-L156 HydrophobicContact CH2-CB 4.33Å; W148-L156 HydrophobicContact CH2-CD1 4.11Å; W148-L156 HydrophobicContact CH2-CD2 3.88Å; W148-L156 HydrophobicContact CH2-CG 4.31Å; W148-L156 HydrophobicContact CZ3-CB 4.37Å; W148-L156 HydrophobicContact CZ3-CD2 3.93Å; W148-I168 HydrophobicContact CB-CD1 4.18Å; W148-I168 VanDerWaalsContact O-CD1 3.31Å; W148-I168 WeakPolarHBondContact O-CD1 3.26Å; W148-L202 HydrophobicContact CH2-CD1 3.52Å; W148-L202 HydrophobicContact CH2-CD2 3.73Å; W148-L202 HydrophobicContact CH2-CG 4.22Å; W148-L202 HydrophobicContact CZ2-CB 4.48Å; W148-L202 HydrophobicContact CZ2-CD1 3.69Å; W148-L202 HydrophobicContact CZ2-CD2 3.97Å; W148-L202 HydrophobicContact CZ2-CG 4.27Å; W148-L202 HydrophobicContact CZ3-CD1 4.02Å
149T92.6Very high92.3Very high54 Ų5450.5 Ų50.533%0.33128%0.275SS..  trans-112.6164.3173.173.40000110.5K151 N152 L153T149-K151 PolarHBondContact O-N 2.6Å; T149-K151 PolarHBondContact OG1-N 3.2Å; T149-N152 WeakPolarHBondContact O-CB 3.41Å; T149-N152 PolarHBondContact O-N 2.91Å; T149-N152 PolarHBondContact OG1-N 2.85Å; T149-N152 PolarHBondContact OG1-OD1 2.83Å; T149-L153 PolarHBondContact O-N 3.13Å; T149-L153 VanDerWaalsContact O-N 3.14Å
150E94.1Very high92.2Very high57 Ų5752.4 Ų52.427%0.26628%0.284SS..Hα-helixtrans-51.1-36.1174.3-70.976.4-177.600111.8E154 T166 I168 R170E150-E154 WeakPolarHBondContact O-CB 3.37Å; E150-E154 PolarHBondContact O-N 3Å; E150-T166 PolarHBondContact O-OG1 3.27Å; E150-I168 HydrophobicContact CG-CB 4.47Å; E150-I168 HydrophobicContact CG-CG1 4.35Å; E150-I168 WeakPolarHBondContact OE1-CB 3.06Å; E150-I168 PolarHBondContact OE1-N 2.73Å; E150-R170 IonicContact OE1-CZ 3.83Å; E150-R170 IonicContact OE1-NE 3.3Å; E150-R170 PolarHBondContact OE1-NE 2.92Å; E150-R170 IonicContact OE1-NH2 3.46Å; E150-R170 PolarHBondContact OE1-NH2 3.19Å; E150-R170 IonicContact OE2-CZ 3.74Å; E150-R170 IonicContact OE2-NE 3.9Å; E150-R170 IonicContact OE2-NH2 2.75Å; E150-R170 PolarHBondContact OE2-NH2 3.32Å
151K94Very high92Very high131 Ų13150.5 Ų50.557%0.5728%0.282SS*.Hα-helixtrans-70-38.4175.1-175.2177.2-178.2177.10113.3T149 L153 E154 Q155T149-K151 PolarHBondContact O-N 2.6Å; T149-K151 PolarHBondContact OG1-N 3.2Å; K151-L153 VanDerWaalsContact C-N 3.3Å; K151-L153 PolarHBondContact O-N 3.13Å; K151-E154 PolarHBondContact O-N 3.5Å; K151-Q155 WeakPolarHBondContact O-CB 3.12Å; K151-Q155 WeakPolarHBondContact O-CG 3.4Å; K151-Q155 PolarHBondContact O-N 3.27Å
152N92.7Very high92Very high54 Ų5454.7 Ų54.729%0.28931%0.308SS..Hα-helixtrans-65.1-39.9176.7-57.815.9000110.4W148 T149 Q155 L156W148-N152 HydrophobicContact CD2-CB 4.06Å; W148-N152 HydrophobicContact CE3-CB 4.24Å; W148-N152 HydrophobicContact CG-CB 4.2Å; T149-N152 WeakPolarHBondContact O-CB 3.41Å; T149-N152 PolarHBondContact O-N 2.91Å; T149-N152 PolarHBondContact OG1-N 2.85Å; T149-N152 PolarHBondContact OG1-OD1 2.83Å; N152-Q155 PolarHBondContact O-N 3.03Å; N152-L156 PolarHBondContact O-N 2.98Å; N152-L156 VanDerWaalsContact O-N 3.08Å
153L92.6Very high92.1Very high0 Ų055.8 Ų55.80%031%0.314CS..Hα-helixtrans-66.9-40.4176.217856.7000111.6L141 T149 K151 L156 L157 T166L141-L153 HydrophobicContact CD1-CD1 4.13Å; L141-L153 HydrophobicContact CD1-CD2 4.39Å; L141-L153 HydrophobicContact CD2-CD1 3.7Å; L141-L153 HydrophobicContact CG-CD1 4.47Å; T149-L153 PolarHBondContact O-N 3.13Å; T149-L153 VanDerWaalsContact O-N 3.14Å; K151-L153 VanDerWaalsContact C-N 3.3Å; K151-L153 PolarHBondContact O-N 3.13Å; L153-L156 PolarHBondContact O-N 3.29Å; L153-L157 HydrophobicContact CD1-CD1 3.88Å; L153-L157 HydrophobicContact CD1-CG 4.23Å; L153-L157 HydrophobicContact CG-CD1 4.31Å; L153-L157 WeakPolarHBondContact O-CG 3.41Å; L153-L157 PolarHBondContact O-N 3Å; L153-T166 HydrophobicContact CB-CG2 4.43Å; L153-T166 HydrophobicContact CD2-CG2 4.32Å; L153-T166 HydrophobicContact CG-CG2 4.03Å
154E94.5Very high92.2Very high98 Ų9857.5 Ų57.546%0.45832%0.322SS..Hα-helixtrans-60.8-46.9174-172.4-175.4171.800111.5E150 K151 L156 L157 A158 V163 T166E150-E154 WeakPolarHBondContact O-CB 3.37Å; E150-E154 PolarHBondContact O-N 3Å; K151-E154 PolarHBondContact O-N 3.5Å; E154-L156 VanDerWaalsContact C-N 3.3Å; E154-L156 PolarHBondContact O-N 3.01Å; E154-L157 PolarHBondContact O-N 3.35Å; E154-L157 VanDerWaalsContact O-N 3.13Å; E154-A158 WeakPolarHBondContact O-CB 3.4Å; E154-A158 PolarHBondContact O-N 3.46Å; E154-V163 HydrophobicContact CG-CB 4.38Å; E154-V163 HydrophobicContact CG-CG1 4.42Å; E154-T166 HydrophobicContact CB-CG2 3.99Å
155Q93.1Very high92.2Very high124 Ų12460.2 Ų60.258%0.57934%0.342SS*.Hα-helixtrans-63.1-30.5177.1-73.2178.4-30.800113.8K151 N152K151-Q155 WeakPolarHBondContact O-CB 3.12Å; K151-Q155 WeakPolarHBondContact O-CG 3.4Å; K151-Q155 PolarHBondContact O-N 3.27Å; N152-Q155 PolarHBondContact O-N 3.03Å
156L90.4Very high92.5Very high33 Ų3361 Ų6117%0.17335%0.346CS..Hα-helixtrans-67.5-36.4174.1-172.576000112.3W148 N152 L153 E154 P159 F197 L202 L210W148-L156 HydrophobicContact CH2-CB 4.33Å; W148-L156 HydrophobicContact CH2-CD1 4.11Å; W148-L156 HydrophobicContact CH2-CD2 3.88Å; W148-L156 HydrophobicContact CH2-CG 4.31Å; W148-L156 HydrophobicContact CZ3-CB 4.37Å; W148-L156 HydrophobicContact CZ3-CD2 3.93Å; N152-L156 PolarHBondContact O-N 2.98Å; N152-L156 VanDerWaalsContact O-N 3.08Å; L153-L156 PolarHBondContact O-N 3.29Å; E154-L156 VanDerWaalsContact C-N 3.3Å; E154-L156 PolarHBondContact O-N 3.01Å; L156-P159 WeakPolarHBondContact O-CD 3.2Å; L156-F197 HydrophobicContact CD1-CE1 3.67Å; L156-F197 HydrophobicContact CD1-CE2 4.37Å; L156-F197 HydrophobicContact CD1-CZ 3.52Å; L156-F197 HydrophobicContact CD2-CD1 4.5Å; L156-F197 HydrophobicContact CD2-CD2 4.45Å; L156-F197 HydrophobicContact CD2-CE1 4.23Å; L156-F197 HydrophobicContact CD2-CE2 4.12Å; L156-F197 HydrophobicContact CD2-CZ 4.02Å; L156-F197 HydrophobicContact CG-CE1 4.02Å; L156-F197 HydrophobicContact CG-CE2 3.87Å; L156-F197 HydrophobicContact CG-CZ 3.51Å; L156-L202 HydrophobicContact CD1-CD2 4.25Å; L156-L210 HydrophobicContact CD2-CD2 4.39Å
157L93.1Very high92.8Very high0 Ų065.2 Ų65.20%035%0.352CS..Hα-helixtrans-97.3-26.9-169-60.4-178.9000113.6L153 E154 P159 F160 V163 A182 M184 I193 F197L153-L157 HydrophobicContact CD1-CD1 3.88Å; L153-L157 HydrophobicContact CD1-CG 4.23Å; L153-L157 HydrophobicContact CG-CD1 4.31Å; L153-L157 WeakPolarHBondContact O-CG 3.41Å; L153-L157 PolarHBondContact O-N 3Å; E154-L157 PolarHBondContact O-N 3.35Å; E154-L157 VanDerWaalsContact O-N 3.13Å; L157-P159 VanDerWaalsContact C-N 3.28Å; L157-P159 VanDerWaalsContact O-N 3.14Å; L157-F160 WeakPolarHBondContact O-CB 3.04Å; L157-F160 PolarHBondContact O-N 3.47Å; L157-V163 HydrophobicContact CB-CG2 3.8Å; L157-A182 HydrophobicContact CD1-CB 3.35Å; L157-M184 HydrophobicContact CB-CE 4.33Å; L157-M184 HydrophobicContact CB-SD 4.22Å; L157-M184 HydrophobicContact CD1-SD 4.13Å; L157-I193 HydrophobicContact CD2-CD1 4.09Å; L157-I193 HydrophobicContact CD2-CG1 4.26Å; L157-I193 HydrophobicContact CD2-CG2 3.7Å; L157-F197 HydrophobicContact CD2-CD2 4.37Å; L157-F197 HydrophobicContact CD2-CE2 4.15Å
158A92.6Very high93.1Very high59 Ų5961.1 Ų61.149%0.48832%0.323SS..G310 helixtrans-49.8-33.9177.200000115.6E154 F160 G161E154-A158 WeakPolarHBondContact O-CB 3.4Å; E154-A158 PolarHBondContact O-N 3.46Å; A158-F160 PolarHBondContact O-N 3.14Å; A158-F160 VanDerWaalsContact O-N 3.08Å; A158-G161 PolarHBondContact O-N 3.06Å
159P93.2Very high93.3Very high102 Ų10262.1 Ų62.166%0.66233%0.331SS*.G310 helixtrans-66.1-5.5175.9-23.435.6000115.8L156 L157L156-P159 WeakPolarHBondContact O-CD 3.2Å; L157-P159 VanDerWaalsContact C-N 3.28Å; L157-P159 VanDerWaalsContact O-N 3.14Å
160F92Very high93.3Very high41 Ų4164.3 Ų64.318%0.1833%0.333CS..G310 helixtrans-106.9-17.8-178.3-65.9-111.6000113L157 A158 T189 K192 I193 K196 F197L157-F160 WeakPolarHBondContact O-CB 3.04Å; L157-F160 PolarHBondContact O-N 3.47Å; A158-F160 PolarHBondContact O-N 3.14Å; A158-F160 VanDerWaalsContact O-N 3.08Å; F160-T189 HydrophobicContact CB-CG2 4.06Å; F160-T189 WeakPolarHBondContact O-CG2 3.34Å; F160-K192 HydrophobicContact CD1-CB 4.34Å; F160-I193 HydrophobicContact CB-CD1 3.93Å; F160-I193 HydrophobicContact CB-CG1 3.74Å; F160-I193 HydrophobicContact CD1-CB 4.45Å; F160-I193 HydrophobicContact CD1-CG1 3.49Å; F160-I193 VanDerWaalsContact CD1-CG1 3.49Å; F160-I193 HydrophobicContact CD2-CG1 4.17Å; F160-I193 HydrophobicContact CE1-CG1 4Å; F160-I193 HydrophobicContact CG-CD1 4.26Å; F160-I193 HydrophobicContact CG-CG1 3.56Å; F160-K196 HydrophobicContact CE1-CB 3.93Å; F160-K196 HydrophobicContact CE1-CD 3.71Å; F160-K196 HydrophobicContact CE1-CG 4.22Å; F160-K196 HydrophobicContact CZ-CB 4.09Å; F160-K196 HydrophobicContact CZ-CD 3.48Å; F160-K196 VanDerWaalsContact CZ-CD 3.48Å; F160-K196 HydrophobicContact CZ-CG 3.95Å; F160-F197 HydrophobicContact CD2-CE2 4.2Å; F160-F197 HydrophobicContact CE1-CE2 4.37Å; F160-F197 HydrophobicContact CE2-CD2 4.17Å; F160-F197 AromaticContact CE2-CE2 3.22Å; F160-F197 HydrophobicContact CE2-CE2 3.22Å; F160-F197 AromaticContact CE2-CZ 3.67Å; F160-F197 HydrophobicContact CE2-CZ 3.67Å; F160-F197 AromaticContact CZ-CD2 3.83Å; F160-F197 HydrophobicContact CZ-CD2 3.83Å; F160-F197 AromaticContact CZ-CE2 3.29Å; F160-F197 HydrophobicContact CZ-CE2 3.29Å; F160-F197 AromaticContact CZ-CZ 3.84Å; F160-F197 HydrophobicContact CZ-CZ 3.84Å
161G90.8Very high93.2Very high19 Ų1967.7 Ų67.720%0.19634%0.344CS..SBendtrans150.1177.2-172.500000112.6A158 V163 E185A158-G161 PolarHBondContact O-N 3.06Å; G161-V163 PolarHBondContact O-N 3.35Å; G161-E185 WeakPolarHBondContact CA-OE1 3.31Å
162T94.2Very high93.1Very high88 Ų8869 Ų6954%0.5436%0.363SS..  trans-68.4125.9-176.3-42.10000111.4E185T162-E185 WeakPolarHBondContact CB-OE2 3.34Å; T162-E185 PolarHBondContact N-OE1 3Å; T162-E185 PolarHBondContact N-OE2 3.08Å; T162-E185 PolarHBondContact O-N 3.06Å; T162-E185 PolarHBondContact OG1-OE2 3.39Å
163V95Very high93Very high26 Ų2671.6 Ų71.616%0.15838%0.381CS..EExtended strand (participates in β ladder)trans-86.7117.2172.9-175.70000108.4E154 L157 G161 T166 M184E154-V163 HydrophobicContact CG-CB 4.38Å; E154-V163 HydrophobicContact CG-CG1 4.42Å; L157-V163 HydrophobicContact CB-CG2 3.8Å; G161-V163 PolarHBondContact O-N 3.35Å; V163-T166 HydrophobicContact CG1-CG2 3.58Å; V163-M184 HydrophobicContact CB-CE 4.44Å; V163-M184 HydrophobicContact CG2-CE 3.73Å; V163-M184 HydrophobicContact CG2-SD 4.06Å
164I93.5Very high92.9Very high94 Ų9473.5 Ų73.548%0.48240%0.401SS..EExtended strand (participates in β ladder)trans-76.8-37.9177.7-62.4-179.4000110.9R183 M184I164-R183 HydrophobicContact CB-CB 4.26Å; I164-R183 HydrophobicContact CB-CG 4.24Å; I164-R183 WeakPolarHBondContact CB-O 3.23Å; I164-R183 HydrophobicContact CD1-CG 4.31Å; I164-R183 PolarHBondContact N-O 2.88Å; I164-M184 WeakPolarHBondContact CD1-O 3.34Å
165S92.6Very high92.6Very high63 Ų6374.3 Ų74.344%0.44140%0.404SS..EExtended strand (participates in β ladder)trans-165.9142179.9-174.90000111.4A182 R183S165-A182 CarbonylContact O-C 3.5Å; S165-A182 VanDerWaalsContact O-CA 3.31Å; S165-A182 WeakPolarHBondContact O-CA 3.04Å; S165-R183 PolarHBondContact N-O 2.79Å; S165-R183 PolarHBondContact O-N 2.95Å
166T94.6Very high92.6Very high25 Ų2568.7 Ų68.715%0.15338%0.379CS..EExtended strand (participates in β ladder)trans-117.5153.2165.465.20000110.9E150 L153 E154 V163 F181 A182E150-T166 PolarHBondContact O-OG1 3.27Å; L153-T166 HydrophobicContact CB-CG2 4.43Å; L153-T166 HydrophobicContact CD2-CG2 4.32Å; L153-T166 HydrophobicContact CG-CG2 4.03Å; E154-T166 HydrophobicContact CB-CG2 3.99Å; V163-T166 HydrophobicContact CG1-CG2 3.58Å; T166-F181 CarbonylContact C-O 3.5Å; T166-F181 WeakPolarHBondContact CA-O 3.49Å; T166-A182 HydrophobicContact CG2-CB 4.32Å
167R94.4Very high92.7Very high177 Ų17773.4 Ų73.467%0.66839%0.394SS*.EExtended strand (participates in β ladder)trans-154.1129.1172.9-176175.7-175.6161.16111.2G180 F181R167-G180 CarbonylContact O-C 3.48Å; R167-G180 VanDerWaalsContact O-CA 3.25Å; R167-G180 WeakPolarHBondContact O-CA 3.47Å; R167-F181 PolarHBondContact N-O 2.81Å; R167-F181 PolarHBondContact O-N 2.89Å
168I94.7Very high92.6Very high6 Ų673.9 Ų73.93%0.03140%0.399CS..EExtended strand (participates in β ladder)trans-96.8140.5171.7-64.8-177.8000109.7W148 E150 R170 S176W148-I168 HydrophobicContact CB-CD1 4.18Å; W148-I168 VanDerWaalsContact O-CD1 3.31Å; W148-I168 WeakPolarHBondContact O-CD1 3.26Å; E150-I168 HydrophobicContact CG-CB 4.47Å; E150-I168 HydrophobicContact CG-CG1 4.35Å; E150-I168 WeakPolarHBondContact OE1-CB 3.06Å; E150-I168 PolarHBondContact OE1-N 2.73Å; I168-R170 HydrophobicContact CG2-CG 4.46Å; I168-S176 WeakPolarHBondContact CG2-OG 3.43Å
169L93.7Very high92.7Very high53 Ų5372.1 Ų72.128%0.27738%0.382SS..EExtended strand (participates in β ladder)trans-82.3128.4173-9259.3000108.8R177 V179 F181L169-R177 HydrophobicContact CB-CB 4.29Å; L169-R177 HydrophobicContact CB-CG 4.49Å; L169-R177 VanDerWaalsContact O-CB 3.27Å; L169-R177 WeakPolarHBondContact O-CB 3.42Å; L169-R177 WeakPolarHBondContact O-CG 3.45Å; L169-R177 PolarHBondContact O-N 2.85Å; L169-V179 HydrophobicContact CB-CB 4.38Å; L169-V179 HydrophobicContact CD2-CG1 4.1Å; L169-V179 PolarHBondContact N-O 3.29Å; L169-F181 HydrophobicContact CD1-CD2 3.56Å; L169-F181 HydrophobicContact CD1-CE2 3.54Å; L169-F181 HydrophobicContact CD2-CE2 4.01Å; L169-F181 HydrophobicContact CG-CE2 4.44Å
170R94.4Very high92.8Very high101 Ų10167.3 Ų67.338%0.38135%0.351SS..EExtended strand (participates in β ladder)trans-120.6152.9-177.7-63.8170.7-176-79.7-2109.9E150 I168 G174 Q175E150-R170 IonicContact OE1-CZ 3.83Å; E150-R170 IonicContact OE1-NE 3.3Å; E150-R170 PolarHBondContact OE1-NE 2.92Å; E150-R170 IonicContact OE1-NH2 3.46Å; E150-R170 PolarHBondContact OE1-NH2 3.19Å; E150-R170 IonicContact OE2-CZ 3.74Å; E150-R170 IonicContact OE2-NE 3.9Å; E150-R170 IonicContact OE2-NH2 2.75Å; E150-R170 PolarHBondContact OE2-NH2 3.32Å; I168-R170 HydrophobicContact CG2-CG 4.46Å; R170-G174 PolarHBondContact NH1-O 2.87Å; R170-Q175 CarbonylContact C-O 3.53Å; R170-Q175 WeakPolarHBondContact CA-O 3.32Å
171Y91.7Very high92.9Very high127 Ų12768.3 Ų68.350%0.49836%0.355SS..  trans-72.7168.9167.9-68.2-73.6000110.2T173 G174 Q175 R177Y171-T173 WeakPolarHBondContact CB-OG1 3.36Å; Y171-T173 PolarHBondContact O-N 2.76Å; Y171-T173 VanDerWaalsContact O-N 3.14Å; Y171-G174 PolarHBondContact O-N 3.43Å; Y171-Q175 HydrophobicContact CD2-CB 4.09Å; Y171-Q175 PolarHBondContact N-O 2.92Å; Y171-R177 HydrophobicContact CD1-CG 4.08Å; Y171-R177 HydrophobicContact CD2-CG 3.73Å; Y171-R177 HydrophobicContact CE1-CG 4Å; Y171-R177 HydrophobicContact CE2-CB 4.29Å; Y171-R177 HydrophobicContact CE2-CG 3.66Å; Y171-R177 HydrophobicContact CG-CG 3.94Å
172V91.1Very high93.1Very high160 Ų16067.4 Ų67.497%0.9735%0.346SS*.THydrogen-bonded Turntrans-60.4-20.7172.9-63.40000112.9G174V172-G174 VanDerWaalsContact C-N 3.27Å; V172-G174 PolarHBondContact O-N 3.44Å
173T91.5Very high93.1Very high107 Ų10767 Ų6766%0.65634%0.335SS*.THydrogen-bonded Turntrans-81.76.6172.855.40000113.9Y171 Q175Y171-T173 WeakPolarHBondContact CB-OG1 3.36Å; Y171-T173 PolarHBondContact O-N 2.76Å; Y171-T173 VanDerWaalsContact O-N 3.14Å; T173-Q175 PolarHBondContact O-N 3Å; T173-Q175 VanDerWaalsContact O-N 3.08Å
174G89.1Confident93.1Very high41 Ų4165.8 Ų65.842%0.42333%0.327SS..SBendtrans76.9-18.9-177.200000115.5R170 Y171 V172R170-G174 PolarHBondContact NH1-O 2.87Å; Y171-G174 PolarHBondContact O-N 3.43Å; V172-G174 VanDerWaalsContact C-N 3.27Å; V172-G174 PolarHBondContact O-N 3.44Å
175Q89.9Confident93.1Very high114 Ų11465.7 Ų65.753%0.53333%0.325SS..  trans-56.5139.1177.7-74.6-67.7-2.100112.4R170 Y171 T173R170-Q175 CarbonylContact C-O 3.53Å; R170-Q175 WeakPolarHBondContact CA-O 3.32Å; Y171-Q175 HydrophobicContact CD2-CB 4.09Å; Y171-Q175 PolarHBondContact N-O 2.92Å; T173-Q175 PolarHBondContact O-N 3Å; T173-Q175 VanDerWaalsContact O-N 3.08Å
176S91.6Very high93.1Very high7 Ų764.5 Ų64.55%0.04932%0.316CS..EExtended strand (participates in β ladder)trans-65142.2176.9179.40000111.2V146 I168 G178V146-S176 WeakPolarHBondContact O-CB 3.45Å; I168-S176 WeakPolarHBondContact CG2-OG 3.43Å; S176-G178 VanDerWaalsContact C-N 3.31Å; S176-G178 PolarHBondContact OG-N 2.63Å
177R92.7Very high93Very high132 Ų13269.7 Ų69.750%0.49833%0.333SS..EExtended strand (participates in β ladder)trans-89.35.3173.5-61.4-166.559.5-170.6-7.2113.3L169 Y171 V179L169-R177 HydrophobicContact CB-CB 4.29Å; L169-R177 HydrophobicContact CB-CG 4.49Å; L169-R177 VanDerWaalsContact O-CB 3.27Å; L169-R177 WeakPolarHBondContact O-CB 3.42Å; L169-R177 WeakPolarHBondContact O-CG 3.45Å; L169-R177 PolarHBondContact O-N 2.85Å; Y171-R177 HydrophobicContact CD1-CG 4.08Å; Y171-R177 HydrophobicContact CD2-CG 3.73Å; Y171-R177 HydrophobicContact CE1-CG 4Å; Y171-R177 HydrophobicContact CE2-CB 4.29Å; Y171-R177 HydrophobicContact CE2-CG 3.66Å; Y171-R177 HydrophobicContact CG-CG 3.94Å; R177-V179 PolarHBondContact O-N 3.22Å
178G91.9Very high93.1Very high10 Ų1067 Ų6710%0.10333%0.328CS..EExtended strand (participates in β ladder)trans64.518.8-172.500000114A142 N143 L144 S176A142-G178 CarbonylContact C-O 3.56Å; A142-G178 WeakPolarHBondContact CA-O 3.24Å; N143-G178 PolarHBondContact N-O 3.28Å; L144-G178 PolarHBondContact N-O 2.6Å; L144-G178 WeakPolarHBondContact O-CA 3.31Å; S176-G178 VanDerWaalsContact C-N 3.31Å; S176-G178 PolarHBondContact OG-N 2.63Å
179V94Very high93Very high22 Ų2267.1 Ų67.113%0.13333%0.329CS..EExtended strand (participates in β ladder)trans-128.9133.4-176.5172.90000109.4Y140 L141 A142 L169 R177 F181Y140-V179 HydrophobicContact CD2-CG1 4.19Å; Y140-V179 HydrophobicContact CE2-CG1 3.42Å; Y140-V179 VanDerWaalsContact CE2-CG1 3.42Å; L141-V179 CarbonylContact O-C 3.47Å; L141-V179 WeakPolarHBondContact O-CA 3.26Å; A142-V179 HydrophobicContact CB-CG2 4.09Å; L169-V179 HydrophobicContact CB-CB 4.38Å; L169-V179 HydrophobicContact CD2-CG1 4.1Å; L169-V179 PolarHBondContact N-O 3.29Å; R177-V179 PolarHBondContact O-N 3.22Å; V179-F181 HydrophobicContact CG1-CE2 4.48Å
180G94.6Very high93.1Very high0 Ų064.6 Ų64.60%032%0.316CS..EExtended strand (participates in β ladder)trans-135.9163.4177.400000112.6L141 R167L141-G180 PolarHBondContact N-O 2.97Å; L141-G180 PolarHBondContact O-N 2.9Å; R167-G180 CarbonylContact O-C 3.48Å; R167-G180 VanDerWaalsContact O-CA 3.25Å; R167-G180 WeakPolarHBondContact O-CA 3.47Å
181F95.1Very high93.1Very high62 Ų6262.9 Ų62.927%0.27231%0.312SS..EExtended strand (participates in β ladder)trans-123.4145.9169.4-68.5-96.3000109.3L139 Y140 T166 R167 L169 V179 A215L139-F181 VanDerWaalsContact O-CA 3.24Å; L139-F181 WeakPolarHBondContact O-CA 3.48Å; Y140-F181 HydrophobicContact CD2-CD1 4.47Å; Y140-F181 AromaticContact CD2-CE1 3.77Å; Y140-F181 HydrophobicContact CD2-CE1 3.77Å; Y140-F181 HydrophobicContact CD2-CE2 4.23Å; Y140-F181 AromaticContact CD2-CZ 3.64Å; Y140-F181 HydrophobicContact CD2-CZ 3.64Å; Y140-F181 HydrophobicContact CE2-CZ 4.18Å; T166-F181 CarbonylContact C-O 3.5Å; T166-F181 WeakPolarHBondContact CA-O 3.49Å; R167-F181 PolarHBondContact N-O 2.81Å; R167-F181 PolarHBondContact O-N 2.89Å; L169-F181 HydrophobicContact CD1-CD2 3.56Å; L169-F181 HydrophobicContact CD1-CE2 3.54Å; L169-F181 HydrophobicContact CD2-CE2 4.01Å; L169-F181 HydrophobicContact CG-CE2 4.44Å; V179-F181 HydrophobicContact CG1-CE2 4.48Å; F181-A215 HydrophobicContact CD1-CB 3.93Å; F181-A215 HydrophobicContact CE1-CB 3.91Å
182A95.1Very high93.2Very high0 Ų061.7 Ų61.70%031%0.309CS..EExtended strand (participates in β ladder)trans-141.2125.5174.400000110.3L139 L141 L157 S165 T166L139-A182 WeakPolarHBondContact CB-O 3.39Å; L139-A182 PolarHBondContact N-O 2.8Å; L139-A182 PolarHBondContact O-N 3.06Å; L141-A182 HydrophobicContact CD1-CB 4.01Å; L157-A182 HydrophobicContact CD1-CB 3.35Å; S165-A182 CarbonylContact O-C 3.5Å; S165-A182 VanDerWaalsContact O-CA 3.31Å; S165-A182 WeakPolarHBondContact O-CA 3.04Å; T166-A182 HydrophobicContact CG2-CB 4.32Å
183R94Very high93.4Very high80 Ų8054 Ų5430%0.30226%0.263SS..EExtended strand (participates in β ladder)trans-96.3125.3171.7-170.6-166.2-75.7149.2-10.5109D135 T137 I164 S165D135-R183 VanDerWaalsContact CG-NE 3.27Å; D135-R183 IonicContact OD1-CZ 2.95Å; D135-R183 IonicContact OD1-NE 3.72Å; D135-R183 PolarHBondContact OD1-NE 2.88Å; D135-R183 IonicContact OD1-NH2 2.99Å; D135-R183 PolarHBondContact OD1-NH2 3.1Å; D135-R183 IonicContact OD2-CZ 2.76Å; D135-R183 IonicContact OD2-NE 2.6Å; D135-R183 PolarHBondContact OD2-NE 2.99Å; D135-R183 IonicContact OD2-NH2 3.43Å; D135-R183 PolarHBondContact OD2-NH2 2.77Å; T137-R183 WeakPolarHBondContact O-CA 3.24Å; T137-R183 WeakPolarHBondContact OG1-CG 3.31Å; I164-R183 HydrophobicContact CB-CB 4.26Å; I164-R183 HydrophobicContact CB-CG 4.24Å; I164-R183 WeakPolarHBondContact CB-O 3.23Å; I164-R183 HydrophobicContact CD1-CG 4.31Å; I164-R183 PolarHBondContact N-O 2.88Å; S165-R183 PolarHBondContact N-O 2.79Å; S165-R183 PolarHBondContact O-N 2.95Å
184M94.8Very high93.5Very high0 Ų050.5 Ų50.50%024%0.24CC..EExtended strand (participates in β ladder)trans-98.9166.5175.8-54.4-53.8-58.300111.6T137 L139 L157 V163 I164 T189 I193T137-M184 WeakPolarHBondContact CB-O 3.31Å; T137-M184 PolarHBondContact O-N 3.34Å; T137-M184 PolarHBondContact OG1-O 2.97Å; L139-M184 HydrophobicContact CD1-CG 4.13Å; L157-M184 HydrophobicContact CB-CE 4.33Å; L157-M184 HydrophobicContact CB-SD 4.22Å; L157-M184 HydrophobicContact CD1-SD 4.13Å; V163-M184 HydrophobicContact CB-CE 4.44Å; V163-M184 HydrophobicContact CG2-CE 3.73Å; V163-M184 HydrophobicContact CG2-SD 4.06Å; I164-M184 WeakPolarHBondContact CD1-O 3.34Å; M184-T189 HydrophobicContact CB-CG2 4.13Å; M184-T189 HydrophobicContact CE-CG2 3.68Å; M184-T189 HydrophobicContact CG-CG2 4.25Å; M184-I193 HydrophobicContact CE-CD1 3.75Å; M184-I193 HydrophobicContact CG-CD1 3.79Å; M184-I193 HydrophobicContact SD-CD1 3.79Å
185E93.4Very high93.7Very high93 Ų9356.2 Ų56.244%0.43526%0.256SS..SBendtrans-63.3-35.8174.673.4-158.9149.100114.2G161 T162G161-E185 WeakPolarHBondContact CA-OE1 3.31Å; T162-E185 WeakPolarHBondContact CB-OE2 3.34Å; T162-E185 PolarHBondContact N-OE1 3Å; T162-E185 PolarHBondContact N-OE2 3.08Å; T162-E185 PolarHBondContact O-N 3.06Å; T162-E185 PolarHBondContact OG1-OE2 3.39Å
186S93.2Very high93.8Very high37 Ų3756.3 Ų56.326%0.25925%0.254SS..  trans-137.3156.8-174.392.80000111.9T137 E188 T189 C190T137-S186 VanDerWaalsContact CG2-C 3.42Å; S186-E188 PolarHBondContact OG-N 2.86Å; S186-T189 WeakPolarHBondContact O-CB 3.49Å; S186-T189 PolarHBondContact O-N 3.38Å; S186-T189 WeakPolarHBondContact OG-CB 3.43Å; S186-T189 PolarHBondContact OG-N 3.38Å; S186-T189 PolarHBondContact OG-OG1 2.79Å; S186-C190 PolarHBondContact O-N 3.13Å; S186-C190 PolarHBondContact O-SG 3.15Å
187R93.3Very high93.7Very high135 Ų13556.7 Ų56.751%0.50926%0.255SS..Hα-helixtrans-69.9-37.1174.9178178.8163.8140.67.6111.6T137 T189 C190 E191 F214T137-R187 HydrophobicContact CG2-CB 4.45Å; R187-T189 PolarHBondContact O-N 3.12Å; R187-C190 WeakPolarHBondContact O-CA 3.44Å; R187-C190 VanDerWaalsContact O-CB 3.26Å; R187-C190 WeakPolarHBondContact O-CB 3.32Å; R187-C190 PolarHBondContact O-N 2.94Å; R187-E191 IonicContact CZ-OE1 2.75Å; R187-E191 VanDerWaalsContact CZ-OE1 3.23Å; R187-E191 IonicContact NE-OE1 2.94Å; R187-E191 PolarHBondContact NE-OE1 2.9Å; R187-E191 IonicContact NH2-OE1 3.18Å; R187-E191 PolarHBondContact NH2-OE1 3.03Å; R187-E191 WeakPolarHBondContact O-CG 3.23Å; R187-E191 PolarHBondContact O-N 2.78Å; R187-F214 HydrophobicContact CG-CE1 4.11Å; R187-F214 HydrophobicContact CG-CZ 4.07Å
188E94.7Very high93.7Very high121 Ų12154 Ų5457%0.56525%0.251SS*.Hα-helixtrans-61.4-36.9176.2-56.9-179.9-160.500111.9S186 C190 E191 K192S186-E188 PolarHBondContact OG-N 2.86Å; E188-C190 VanDerWaalsContact C-N 3.31Å; E188-E191 PolarHBondContact O-N 3.03Å; E188-K192 VanDerWaalsContact O-CD 3.31Å; E188-K192 WeakPolarHBondContact O-CD 3.27Å; E188-K192 VanDerWaalsContact O-CG 3.24Å; E188-K192 WeakPolarHBondContact O-CG 3.44Å; E188-K192 PolarHBondContact O-N 2.88Å; E188-K192 IonicContact OE2-NZ 2.63Å; E188-K192 PolarHBondContact OE2-NZ 3.35Å
189T94.1Very high93.6Very high7 Ų755.6 Ų55.64%0.04327%0.267CS..Hα-helixtrans-61.5-42.8174.2-54.30000110F160 M184 S186 R187 E191 I193F160-T189 HydrophobicContact CB-CG2 4.06Å; F160-T189 WeakPolarHBondContact O-CG2 3.34Å; M184-T189 HydrophobicContact CB-CG2 4.13Å; M184-T189 HydrophobicContact CE-CG2 3.68Å; M184-T189 HydrophobicContact CG-CG2 4.25Å; S186-T189 WeakPolarHBondContact O-CB 3.49Å; S186-T189 PolarHBondContact O-N 3.38Å; S186-T189 WeakPolarHBondContact OG-CB 3.43Å; S186-T189 PolarHBondContact OG-N 3.38Å; S186-T189 PolarHBondContact OG-OG1 2.79Å; R187-T189 PolarHBondContact O-N 3.12Å; T189-E191 PolarHBondContact O-N 2.98Å; T189-I193 HydrophobicContact CG2-CD1 3.82Å; T189-I193 WeakPolarHBondContact O-CB 3.39Å; T189-I193 VanDerWaalsContact O-CD1 3.31Å; T189-I193 WeakPolarHBondContact O-CD1 3.49Å; T189-I193 WeakPolarHBondContact O-CG1 3.25Å; T189-I193 PolarHBondContact O-N 2.85Å
190C94.1Very high93.1Very high0 Ų058.7 Ų58.70%028%0.28CS..Hα-helixtrans-60.9-42.1173.2-640000113.2T137 L139 S186 R187 E188 I193 I194 F214T137-C190 WeakPolarHBondContact CA-SG 3.41Å; T137-C190 PolarHBondContact O-SG 3.12Å; L139-C190 HydrophobicContact CD1-CB 4.4Å; L139-C190 HydrophobicContact CD2-CB 3.76Å; L139-C190 HydrophobicContact CG-CB 4.11Å; S186-C190 PolarHBondContact O-N 3.13Å; S186-C190 PolarHBondContact O-SG 3.15Å; R187-C190 WeakPolarHBondContact O-CA 3.44Å; R187-C190 VanDerWaalsContact O-CB 3.26Å; R187-C190 WeakPolarHBondContact O-CB 3.32Å; R187-C190 PolarHBondContact O-N 2.94Å; E188-C190 VanDerWaalsContact C-N 3.31Å; C190-I193 PolarHBondContact O-N 3.2Å; C190-I194 WeakPolarHBondContact O-CD1 3.42Å; C190-I194 VanDerWaalsContact O-CG1 3.26Å; C190-I194 WeakPolarHBondContact O-CG1 3.47Å; C190-I194 PolarHBondContact O-N 2.91Å; C190-F214 HydrophobicContact CB-CE1 3.77Å; C190-F214 HydrophobicContact CB-CZ 4.28Å
191E94.8Very high92.5Very high66 Ų6662.7 Ų62.731%0.30830%0.304SS..Hα-helixtrans-65.8-46.5-178.9-68.8169.7163.900110.4R187 E188 T189 I193 I194 E195 F214R187-E191 IonicContact CZ-OE1 2.75Å; R187-E191 VanDerWaalsContact CZ-OE1 3.23Å; R187-E191 IonicContact NE-OE1 2.94Å; R187-E191 PolarHBondContact NE-OE1 2.9Å; R187-E191 IonicContact NH2-OE1 3.18Å; R187-E191 PolarHBondContact NH2-OE1 3.03Å; R187-E191 WeakPolarHBondContact O-CG 3.23Å; R187-E191 PolarHBondContact O-N 2.78Å; E188-E191 PolarHBondContact O-N 3.03Å; T189-E191 PolarHBondContact O-N 2.98Å; E191-I193 VanDerWaalsContact C-N 3.29Å; E191-I193 PolarHBondContact O-N 2.94Å; E191-I194 PolarHBondContact O-N 2.88Å; E191-E195 WeakPolarHBondContact O-CG 3.21Å; E191-E195 PolarHBondContact O-N 2.82Å; E191-F214 HydrophobicContact CG-CE2 4.04Å; E191-F214 HydrophobicContact CG-CZ 3.57Å
192K94.4Very high91.6Very high101 Ų10160.2 Ų60.244%0.43929%0.294SS..Hα-helixtrans-59.3-36.3173.2-65.4157.8-1651620112.8F160 E188 K196F160-K192 HydrophobicContact CD1-CB 4.34Å; E188-K192 VanDerWaalsContact O-CD 3.31Å; E188-K192 WeakPolarHBondContact O-CD 3.27Å; E188-K192 VanDerWaalsContact O-CG 3.24Å; E188-K192 WeakPolarHBondContact O-CG 3.44Å; E188-K192 PolarHBondContact O-N 2.88Å; E188-K192 IonicContact OE2-NZ 2.63Å; E188-K192 PolarHBondContact OE2-NZ 3.35Å; K192-K196 WeakPolarHBondContact O-CB 3.44Å; K192-K196 PolarHBondContact O-N 3.32Å
193I94.5Very high90.4Very high0 Ų065.9 Ų65.90%033%0.331CS..Hα-helixtrans-70.3-43.8176.2-75163.2000111.3L139 L157 F160 M184 T189 C190 E191 F197 V212L139-I193 HydrophobicContact CD1-CB 4.07Å; L139-I193 HydrophobicContact CD1-CD1 4.13Å; L139-I193 HydrophobicContact CD1-CG2 3.47Å; L139-I193 VanDerWaalsContact CD1-CG2 3.47Å; L157-I193 HydrophobicContact CD2-CD1 4.09Å; L157-I193 HydrophobicContact CD2-CG1 4.26Å; L157-I193 HydrophobicContact CD2-CG2 3.7Å; F160-I193 HydrophobicContact CB-CD1 3.93Å; F160-I193 HydrophobicContact CB-CG1 3.74Å; F160-I193 HydrophobicContact CD1-CB 4.45Å; F160-I193 HydrophobicContact CD1-CG1 3.49Å; F160-I193 VanDerWaalsContact CD1-CG1 3.49Å; F160-I193 HydrophobicContact CD2-CG1 4.17Å; F160-I193 HydrophobicContact CE1-CG1 4Å; F160-I193 HydrophobicContact CG-CD1 4.26Å; F160-I193 HydrophobicContact CG-CG1 3.56Å; M184-I193 HydrophobicContact CE-CD1 3.75Å; M184-I193 HydrophobicContact CG-CD1 3.79Å; M184-I193 HydrophobicContact SD-CD1 3.79Å; T189-I193 HydrophobicContact CG2-CD1 3.82Å; T189-I193 WeakPolarHBondContact O-CB 3.39Å; T189-I193 VanDerWaalsContact O-CD1 3.31Å; T189-I193 WeakPolarHBondContact O-CD1 3.49Å; T189-I193 WeakPolarHBondContact O-CG1 3.25Å; T189-I193 PolarHBondContact O-N 2.85Å; C190-I193 PolarHBondContact O-N 3.2Å; E191-I193 VanDerWaalsContact C-N 3.29Å; E191-I193 PolarHBondContact O-N 2.94Å; I193-F197 HydrophobicContact CG2-CD2 4.15Å; I193-F197 WeakPolarHBondContact O-CB 3.31Å; I193-F197 PolarHBondContact O-N 3.34Å; I193-V212 HydrophobicContact CG2-CG1 4.12Å
194I94.3Very high89Confident33 Ų3365.4 Ų65.417%0.16935%0.351CS..Hα-helixtrans-61.3-52.9176.4-70.6161.7000109.8L139 C190 E191 K196 N198 V212 F214L139-I194 HydrophobicContact CD2-CD1 3.69Å; L139-I194 HydrophobicContact CD2-CG1 3.72Å; C190-I194 WeakPolarHBondContact O-CD1 3.42Å; C190-I194 VanDerWaalsContact O-CG1 3.26Å; C190-I194 WeakPolarHBondContact O-CG1 3.47Å; C190-I194 PolarHBondContact O-N 2.91Å; E191-I194 PolarHBondContact O-N 2.88Å; I194-K196 VanDerWaalsContact C-N 3.29Å; I194-K196 PolarHBondContact O-N 3.13Å; I194-N198 HydrophobicContact CG2-CB 4.37Å; I194-N198 WeakPolarHBondContact O-CB 3.33Å; I194-N198 PolarHBondContact O-N 2.83Å; I194-V212 HydrophobicContact CG1-CG1 3.94Å; I194-F214 HydrophobicContact CD1-CD1 4.5Å; I194-F214 HydrophobicContact CD1-CD2 3.68Å; I194-F214 HydrophobicContact CD1-CE2 3.69Å; I194-F214 HydrophobicContact CD1-CG 4.13Å; I194-F214 HydrophobicContact CD1-CZ 4.14Å
195E93.7Very high87.5Confident160 Ų16066.4 Ų66.475%0.74836%0.358SS*.Hα-helixtrans-56.7-40.4-179.1-73.7176.9172.200112.9E191E191-E195 WeakPolarHBondContact O-CG 3.21Å; E191-E195 PolarHBondContact O-N 2.82Å
196K91Very high86.1Confident117 Ų11766.3 Ų66.351%0.50937%0.374SS..Hα-helixtrans-81.5-42.2-176.9-177.7158.4151.5-158.70113.3F160 K192 I194 Q200F160-K196 HydrophobicContact CE1-CB 3.93Å; F160-K196 HydrophobicContact CE1-CD 3.71Å; F160-K196 HydrophobicContact CE1-CG 4.22Å; F160-K196 HydrophobicContact CZ-CB 4.09Å; F160-K196 HydrophobicContact CZ-CD 3.48Å; F160-K196 VanDerWaalsContact CZ-CD 3.48Å; F160-K196 HydrophobicContact CZ-CG 3.95Å; K192-K196 WeakPolarHBondContact O-CB 3.44Å; K192-K196 PolarHBondContact O-N 3.32Å; I194-K196 VanDerWaalsContact C-N 3.29Å; I194-K196 PolarHBondContact O-N 3.13Å; K196-Q200 WeakPolarHBondContact O-CG 3.49Å; K196-Q200 PolarHBondContact O-NE2 2.92Å
197F91.1Very high84.6Confident15 Ų1573.2 Ų73.27%0.06640%0.402CS..Hα-helixtrans-99.4-23.2-170.9-75.9-58000115.5L156 L157 F160 I193 G199 Q200 L210 V212L156-F197 HydrophobicContact CD1-CE1 3.67Å; L156-F197 HydrophobicContact CD1-CE2 4.37Å; L156-F197 HydrophobicContact CD1-CZ 3.52Å; L156-F197 HydrophobicContact CD2-CD1 4.5Å; L156-F197 HydrophobicContact CD2-CD2 4.45Å; L156-F197 HydrophobicContact CD2-CE1 4.23Å; L156-F197 HydrophobicContact CD2-CE2 4.12Å; L156-F197 HydrophobicContact CD2-CZ 4.02Å; L156-F197 HydrophobicContact CG-CE1 4.02Å; L156-F197 HydrophobicContact CG-CE2 3.87Å; L156-F197 HydrophobicContact CG-CZ 3.51Å; L157-F197 HydrophobicContact CD2-CD2 4.37Å; L157-F197 HydrophobicContact CD2-CE2 4.15Å; F160-F197 HydrophobicContact CD2-CE2 4.2Å; F160-F197 HydrophobicContact CE1-CE2 4.37Å; F160-F197 HydrophobicContact CE2-CD2 4.17Å; F160-F197 AromaticContact CE2-CE2 3.22Å; F160-F197 HydrophobicContact CE2-CE2 3.22Å; F160-F197 AromaticContact CE2-CZ 3.67Å; F160-F197 HydrophobicContact CE2-CZ 3.67Å; F160-F197 AromaticContact CZ-CD2 3.83Å; F160-F197 HydrophobicContact CZ-CD2 3.83Å; F160-F197 AromaticContact CZ-CE2 3.29Å; F160-F197 HydrophobicContact CZ-CE2 3.29Å; F160-F197 AromaticContact CZ-CZ 3.84Å; F160-F197 HydrophobicContact CZ-CZ 3.84Å; I193-F197 HydrophobicContact CG2-CD2 4.15Å; I193-F197 WeakPolarHBondContact O-CB 3.31Å; I193-F197 PolarHBondContact O-N 3.34Å; F197-G199 PolarHBondContact O-N 3.02Å; F197-G199 VanDerWaalsContact O-N 3.13Å; F197-Q200 PolarHBondContact O-N 3.08Å; F197-L210 HydrophobicContact CB-CD2 3.9Å; F197-L210 HydrophobicContact CD1-CD2 4.38Å; F197-L210 HydrophobicContact CG-CD2 4.34Å; F197-V212 HydrophobicContact CB-CG2 3.85Å
198N91.7Very high83.9Confident76 Ų7672 Ų7241%0.40640%0.402SS..THydrogen-bonded Turntrans-66.8114.5-178.7-175.461.2000110.7I194 V212I194-N198 HydrophobicContact CG2-CB 4.37Å; I194-N198 WeakPolarHBondContact O-CB 3.33Å; I194-N198 PolarHBondContact O-N 2.83Å; N198-V212 HydrophobicContact CB-CB 4.18Å; N198-V212 PolarHBondContact OD1-N 3.34Å; N198-V212 PolarHBondContact OD1-O 3.35Å
199G89Confident83.6Confident43 Ų4369.7 Ų69.744%0.44340%0.396SS..THydrogen-bonded Turntrans96.8-2.7-174.500000115.1F197 V209 L210F197-G199 PolarHBondContact O-N 3.02Å; F197-G199 VanDerWaalsContact O-N 3.13Å; G199-V209 WeakPolarHBondContact O-CG1 3.49Å; G199-L210 PolarHBondContact N-O 2.86Å
200Q85Confident83.5Confident87 Ų8769.4 Ų69.441%0.40739%0.394SS..PPolyproline II helixtrans-78.8142.3174.8-67.3-160.6-5.500112.2K196 F197 L210K196-Q200 WeakPolarHBondContact O-CG 3.49Å; K196-Q200 PolarHBondContact O-NE2 2.92Å; F197-Q200 PolarHBondContact O-N 3.08Å; Q200-L210 VanDerWaalsContact O-CB 3.23Å; Q200-L210 WeakPolarHBondContact O-CB 3.41Å; Q200-L210 PolarHBondContact O-N 2.81Å
201V82.1Confident83.4Confident83 Ų8373 Ų7350%0.50341%0.413SS..BIsolated β-bridgetrans-86.4119.5169-177.50000108.8V209V201-V209 HydrophobicContact CG2-CG1 3.8Å
202L75.9Confident83.4Confident10 Ų1069.9 Ų69.95%0.05240%0.398CS..PPolyproline II helixtrans-74.9139.9175.2-71170000110.8L144 W148 L156 G204 A205 L210L144-L202 HydrophobicContact CD2-CD1 4.29Å; W148-L202 HydrophobicContact CH2-CD1 3.52Å; W148-L202 HydrophobicContact CH2-CD2 3.73Å; W148-L202 HydrophobicContact CH2-CG 4.22Å; W148-L202 HydrophobicContact CZ2-CB 4.48Å; W148-L202 HydrophobicContact CZ2-CD1 3.69Å; W148-L202 HydrophobicContact CZ2-CD2 3.97Å; W148-L202 HydrophobicContact CZ2-CG 4.27Å; W148-L202 HydrophobicContact CZ3-CD1 4.02Å; L156-L202 HydrophobicContact CD1-CD2 4.25Å; L202-G204 PolarHBondContact O-N 2.96Å; L202-A205 HydrophobicContact CB-CB 4.14Å; L202-A205 WeakPolarHBondContact O-CB 3.32Å; L202-A205 PolarHBondContact O-N 2.97Å; L202-L210 HydrophobicContact CD1-CB 4.41Å; L202-L210 HydrophobicContact CD1-CD1 4.06Å; L202-L210 HydrophobicContact CD1-CD2 3.99Å; L202-L210 HydrophobicContact CD1-CG 4.39Å; L202-L210 HydrophobicContact CD2-CD2 4.19Å; L202-L210 HydrophobicContact CG-CB 4.37Å; L202-L210 HydrophobicContact CG-CD2 4.08Å
203P69.6Low83.4Confident120 Ų12068.6 Ų68.678%0.77939%0.393SS*.THydrogen-bonded Turntrans-62.3121.7172.526.3-33.2000109.9
204G65.4Low83.3Confident70 Ų7071.9 Ų71.972%0.72241%0.407SS*.THydrogen-bonded Turntrans89.82.1-173.600000115.4L202L202-G204 PolarHBondContact O-N 2.96Å
205A63.4Low83.2Confident20 Ų2070.7 Ų70.717%0.16540%0.403CS..SBendtrans-75.8151.216100000110.8P145 L202 Q207P145-A205 HydrophobicContact CG-CB 4.04Å; L202-A205 HydrophobicContact CB-CB 4.14Å; L202-A205 WeakPolarHBondContact O-CB 3.32Å; L202-A205 PolarHBondContact O-N 2.97Å; A205-Q207 PolarHBondContact O-N 3.29Å
206A62.2Low82.6Confident92 Ų9269.4 Ų69.476%0.7640%0.401SS*.  trans-79.557.517900000111.8E208A206-E208 PolarHBondContact O-N 2.99Å
207Q62.7Low81.4Confident181 Ų18165.9 Ų65.985%0.84639%0.391SS*.SBendtrans58-5.9-174.9-67.9177.2-70.500116.9A205A205-Q207 PolarHBondContact O-N 3.29Å
208E77.9Confident79.8Confident111 Ų11168.5 Ų68.552%0.51942%0.422SS..PPolyproline II helixtrans-63.5135.7169.9-62.7-177.8167.600111.2N143 A206N143-E208 HydrophobicContact CB-CB 3.88Å; A206-E208 PolarHBondContact O-N 2.99Å
209V88.8Confident78Confident71 Ų7172.3 Ų72.343%0.4344%0.435SS..BIsolated β-bridgetrans-76.7137.7172.2-68.40000110.5N143 G199 V201 L211N143-V209 WeakPolarHBondContact CB-O 3.16Å; N143-V209 PolarHBondContact ND2-O 2.83Å; G199-V209 WeakPolarHBondContact O-CG1 3.49Å; V201-V209 HydrophobicContact CG2-CG1 3.8Å; V209-L211 PolarHBondContact O-N 2.92Å
210L91.7Very high76.3Confident1 Ų179.2 Ų79.21%0.00545%0.453CS..PPolyproline II helixtrans-63.9117.7174.8177.862.3000109.9L141 L144 L156 F197 G199 Q200 L202 V212L141-L210 HydrophobicContact CB-CD1 4.49Å; L141-L210 HydrophobicContact CD2-CD1 4.44Å; L144-L210 HydrophobicContact CD2-CD1 3.6Å; L144-L210 HydrophobicContact CG-CD1 4.45Å; L156-L210 HydrophobicContact CD2-CD2 4.39Å; F197-L210 HydrophobicContact CB-CD2 3.9Å; F197-L210 HydrophobicContact CD1-CD2 4.38Å; F197-L210 HydrophobicContact CG-CD2 4.34Å; G199-L210 PolarHBondContact N-O 2.86Å; Q200-L210 VanDerWaalsContact O-CB 3.23Å; Q200-L210 WeakPolarHBondContact O-CB 3.41Å; Q200-L210 PolarHBondContact O-N 2.81Å; L202-L210 HydrophobicContact CD1-CB 4.41Å; L202-L210 HydrophobicContact CD1-CD1 4.06Å; L202-L210 HydrophobicContact CD1-CD2 3.99Å; L202-L210 HydrophobicContact CD1-CG 4.39Å; L202-L210 HydrophobicContact CD2-CD2 4.19Å; L202-L210 HydrophobicContact CG-CB 4.37Å; L202-L210 HydrophobicContact CG-CD2 4.08Å; L210-V212 HydrophobicContact CD1-CG2 4.32Å; L210-V212 HydrophobicContact CD2-CG2 3.94Å; L210-V212 HydrophobicContact CG-CG2 3.7Å
211L92.4Very high74.6Confident75 Ų7584.3 Ų84.339%0.39348%0.476SS..EExtended strand (participates in β ladder)trans-88.3122.7171.4-179.674.1000108.4Y140 L141 A142 V209Y140-L211 HydrophobicContact CE1-CD2 4.25Å; L141-L211 CarbonylContact C-O 3.56Å; L141-L211 VanDerWaalsContact CA-O 3.31Å; L141-L211 WeakPolarHBondContact CA-O 3.48Å; A142-L211 HydrophobicContact CB-CB 4.27Å; A142-L211 HydrophobicContact CB-CD2 4.32Å; A142-L211 PolarHBondContact N-O 2.93Å; A142-L211 PolarHBondContact O-N 3.26Å; V209-L211 PolarHBondContact O-N 2.92Å
212V94.5Very high72.9Confident1 Ų186.6 Ų86.61%0.00648%0.476CS..EExtended strand (participates in β ladder)trans-126.8126.4173.5-167.90000109.6L139 L141 I193 I194 F197 N198 L210L139-V212 HydrophobicContact CD1-CG1 4.48Å; L139-V212 HydrophobicContact CD2-CG1 4.28Å; L141-V212 HydrophobicContact CD2-CG1 4.36Å; L141-V212 HydrophobicContact CD2-CG2 4.03Å; L141-V212 HydrophobicContact CG-CG1 4.23Å; L141-V212 HydrophobicContact CG-CG2 4.38Å; I193-V212 HydrophobicContact CG2-CG1 4.12Å; I194-V212 HydrophobicContact CG1-CG1 3.94Å; F197-V212 HydrophobicContact CB-CG2 3.85Å; N198-V212 HydrophobicContact CB-CB 4.18Å; N198-V212 PolarHBondContact OD1-N 3.34Å; N198-V212 PolarHBondContact OD1-O 3.35Å; L210-V212 HydrophobicContact CD1-CG2 4.32Å; L210-V212 HydrophobicContact CD2-CG2 3.94Å; L210-V212 HydrophobicContact CG-CG2 3.7Å
213K94Very high71.4Confident74 Ų7497.2 Ų97.232%0.32252%0.515SS..EExtended strand (participates in β ladder)trans-148.9170.8175.561.3162.2-166.4164.80111.1L139 Y140 D216L139-K213 WeakPolarHBondContact CA-O 3.39Å; Y140-K213 HydrophobicContact CD1-CD 4.38Å; Y140-K213 HydrophobicContact CD1-CG 3.96Å; Y140-K213 PolarHBondContact N-O 3.18Å; Y140-K213 PolarHBondContact O-N 2.83Å; K213-D216 IonicContact NZ-OD1 3.51Å; K213-D216 IonicContact NZ-OD2 2.75Å; K213-D216 PolarHBondContact NZ-OD2 3.49Å
214F93.9Very high70.4Confident69 Ų6998.6 Ų98.630%0.30351%0.511SS..EExtended strand (participates in β ladder)trans-58.1140163.4-70.3-75.2000111.2P136 R187 C190 E191 I194P136-F214 VanDerWaalsContact O-CE1 3.31Å; P136-F214 WeakPolarHBondContact O-CE1 3.21Å; R187-F214 HydrophobicContact CG-CE1 4.11Å; R187-F214 HydrophobicContact CG-CZ 4.07Å; C190-F214 HydrophobicContact CB-CE1 3.77Å; C190-F214 HydrophobicContact CB-CZ 4.28Å; E191-F214 HydrophobicContact CG-CE2 4.04Å; E191-F214 HydrophobicContact CG-CZ 3.57Å; I194-F214 HydrophobicContact CD1-CD1 4.5Å; I194-F214 HydrophobicContact CD1-CD2 3.68Å; I194-F214 HydrophobicContact CD1-CE2 3.69Å; I194-F214 HydrophobicContact CD1-CG 4.13Å; I194-F214 HydrophobicContact CD1-CZ 4.14Å
215A91.3Very high69.7Low9 Ų9102.2 Ų102.27%0.07451%0.509CS..  trans-74.6127.8178.700000111.1N138 F181 S217N138-A215 HydrophobicContact CB-CB 4.14Å; N138-A215 WeakPolarHBondContact O-CB 3.19Å; N138-A215 PolarHBondContact O-N 2.75Å; F181-A215 HydrophobicContact CD1-CB 3.93Å; F181-A215 HydrophobicContact CE1-CB 3.91Å; A215-S217 PolarHBondContact O-N 2.98Å; A215-S217 PolarHBondContact O-OG 3.14Å
216D82Confident69.1Low132 Ų132106.3 Ų106.371%0.70653%0.525SS*.  trans-64.2100.2175.2-58.8-69.7000110.2K213 G218K213-D216 IonicContact NZ-OD1 3.51Å; K213-D216 IonicContact NZ-OD2 2.75Å; K213-D216 PolarHBondContact NZ-OD2 3.49Å; D216-G218 VanDerWaalsContact C-N 3.31Å; D216-G218 PolarHBondContact O-N 3.47Å
217S63.9Low68.3Low43 Ų43107.3 Ų107.330%0.30151%0.51SS..  trans-7376.3-167.3-49.80000113.5Q134 A215 K219Q134-S217 PolarHBondContact NE2-O 2.95Å; A215-S217 PolarHBondContact O-N 2.98Å; A215-S217 PolarHBondContact O-OG 3.14Å; S217-K219 PolarHBondContact O-N 3.19Å
218G58.4Low67.3Low70 Ų70103.4 Ų103.472%0.72250%0.503SS*.SBendtrans71.4-13.5160.100000117.6D216 K220D216-G218 VanDerWaalsContact C-N 3.31Å; D216-G218 PolarHBondContact O-N 3.47Å; G218-K220 PolarHBondContact O-N 2.75Å
219K53.6Low65.9Low156 Ų156104.6 Ų104.668%0.67851%0.508SS*.  trans-70.357.3-179.7-74.9175.8178160.20113.2Q134 S217 H221Q134-K219 VanDerWaalsContact NE2-CD 3.28Å; Q134-K219 VanDerWaalsContact NE2-CE 3.25Å; S217-K219 PolarHBondContact O-N 3.19Å; K219-H221 PolarHBondContact O-N 3.46Å
220K53.9Low63.4Low188 Ų188108.9 Ų108.982%0.81752%0.523SS*.  trans-54.1122.9154-71.2-165.4175.6-167.70106.9G218 R222G218-K220 PolarHBondContact O-N 2.75Å; K220-R222 VanDerWaalsContact C-N 3.34Å; K220-R222 PolarHBondContact O-N 3.3Å
221H49.3Very low60.8Low194 Ų194113.3 Ų113.390%0.89855%0.554SS**  trans-53.895.3-178.3-119.472.9000109.9K219 R223K219-H221 PolarHBondContact O-N 3.46Å; H221-R223 PolarHBondContact O-N 3.43Å
222R46.5Very low58.4Low132 Ų132116.4 Ų116.450%0.49857%0.571SS.*  trans-72.597.3177.7-177.1-164.8-79.6-147.36.1105.2K220 Q224K220-R222 VanDerWaalsContact C-N 3.34Å; K220-R222 PolarHBondContact O-N 3.3Å; R222-Q224 PolarHBondContact O-N 3.44Å
223R44.5Very low55.7Low232 Ų232125 Ų12588%0.87561%0.61SS**  trans-49.8110.4159.6-78.5-169.4178-168.40.5106H221 Q225H221-R223 PolarHBondContact O-N 3.43Å; R223-Q225 PolarHBondContact O-N 3.42Å
224Q48.8Very low53.2Low150 Ų150127.5 Ų127.570%0.70163%0.632SS**  trans-67.9103.2174.9-68.9177.1-6.200106R222 H226R222-Q224 PolarHBondContact O-N 3.44Å; Q224-H226 PolarHBondContact O-N 3.4Å
225Q49.6Very low50.8Low145 Ų145130.2 Ų130.268%0.67865%0.654SS**  trans-74.182.2161.9-68.4-173.411.500105.7R223 Y227R223-Q225 PolarHBondContact O-N 3.42Å; Q225-Y227 PolarHBondContact O-N 3.38Å; Q225-Y227 VanDerWaalsContact O-N 3.09Å
226H51.4Low48.4Very low106 Ų106138 Ų13849%0.49170%0.695SS.*  trans-67.5105.3175.8-138.8-77.9000106.2Q224 S228Q224-H226 PolarHBondContact O-N 3.4Å; H226-S228 PolarHBondContact O-N 2.87Å
227Y46.4Very low46.5Very low114 Ų114134.9 Ų134.945%0.44769%0.694SS.*  trans-75.968.3174.7-98.2-82.5000109Q225 H229Q225-Y227 PolarHBondContact O-N 3.38Å; Q225-Y227 VanDerWaalsContact O-N 3.09Å; Y227-H229 VanDerWaalsContact C-N 3.32Å; Y227-H229 PolarHBondContact O-N 3.2Å
228S41.2Very low45.5Very low99 Ų99142 Ų14269%0.69272%0.722SS**  trans-67.792.8166.852.40000108.2H226 E230H226-S228 PolarHBondContact O-N 2.87Å; S228-E230 PolarHBondContact O-N 2.83Å
229H48.5Very low45Very low136 Ų136144.4 Ų144.463%0.6372%0.723SS**  trans-68.8100.4174.6-170.1-62.1000108.9Y227 S231Y227-H229 VanDerWaalsContact C-N 3.32Å; Y227-H229 PolarHBondContact O-N 3.2Å; H229-S231 PolarHBondContact O-N 2.82Å
230E34.7Very low44.3Very low160 Ų160142.4 Ų142.475%0.74873%0.726SS**  trans-63.9104.2176.3-173156.377.500109.6S228 L232S228-E230 PolarHBondContact O-N 2.83Å; E230-L232 VanDerWaalsContact C-N 3.3Å; E230-L232 PolarHBondContact O-N 3.19Å
231S38.2Very low43.8Very low94 Ų94144.5 Ų144.566%0.65773%0.73SS**  trans-79.180178.937.20000109.7H229 Q233H229-S231 PolarHBondContact O-N 2.82Å; S231-Q233 PolarHBondContact O-N 2.96Å
232L42.4Very low43.4Very low141 Ų141139 Ų13974%0.73873%0.727SS**  trans-54.4104.6167.4-75172.7000109.6E230 V234E230-L232 VanDerWaalsContact C-N 3.3Å; E230-L232 PolarHBondContact O-N 3.19Å; L232-V234 VanDerWaalsContact C-N 3.31Å; L232-V234 PolarHBondContact O-N 3.43Å
233Q37.3Very low43Very low180 Ų180141.1 Ų141.184%0.84175%0.746SS**  trans-73.885176.7-65.8-176.9-2.400109.2S231 T235S231-Q233 PolarHBondContact O-N 2.96Å; Q233-T235 PolarHBondContact O-N 2.95Å; Q233-T235 VanDerWaalsContact O-N 3.09Å
234V42.3Very low42.6Very low128 Ų128134.3 Ų134.378%0.77674%0.735SS**  trans-71.4103173.4-178.20000108.6L232L232-V234 VanDerWaalsContact C-N 3.31Å; L232-V234 PolarHBondContact O-N 3.43Å
235T43.4Very low42Very low126 Ų126133.2 Ų133.277%0.77374%0.738SS**  trans-65.5137.3170.4490000110.4Q233 G237Q233-T235 PolarHBondContact O-N 2.95Å; Q233-T235 VanDerWaalsContact O-N 3.09Å; T235-G237 PolarHBondContact O-N 3.13Å
236N40.6Very low41.5Very low172 Ų172134.8 Ų134.892%0.9274%0.743SS**  trans-57.6127-174.1-54.9-59.4000113
237G41.4Very low40.8Very low67 Ų67137.2 Ų137.269%0.69176%0.755SS**  trans175.8105.9173.700000114.5T235T235-G237 PolarHBondContact O-N 3.13Å
238E42.2Very low40.7Very low192 Ų192135.9 Ų135.990%0.89776%0.76SS**  trans62.692.1150.8-53.4-167.7110.400121.2
239V48.9Very low40.6Very low121 Ų121138 Ų13873%0.73376%0.764SS**  trans46.6118138.4-161.90000120.9Y241V239-Y241 HydrophobicContact CG1-CE2 4.35Å
240P38.4Very low40.5Very low114 Ų114141 Ų14174%0.7478%0.778SS**  trans-104.7155176.439.2-33.5000115.6
241Y43.5Very low41.1Very low231 Ų231141.3 Ų141.391%0.90678%0.783SS**  trans-146.5139.6156.8-74.8-78.2000109.9V239V239-Y241 HydrophobicContact CG1-CE2 4.35Å
242G41.4Very low41.3Very low80 Ų80142 Ų14283%0.82579%0.785SS**  trans138.364.7170.300000118
243L38.5Very low41.2Very low175 Ų175140.9 Ų140.992%0.91679%0.79SS**  trans-68.1155.1150.7-120.470.9000108.1
244S35.2Very low41.3Very low90 Ų90135.9 Ų135.963%0.62979%0.786SS**  cis-169.4173.612.262.60000111.7
245T36.7Very low41.2Very low126 Ų126135.7 Ų135.777%0.77379%0.789SS**  trans82.6133.5144.5-47.30000121.5
246F39.5Very low40.9Very low178 Ų178137.8 Ų137.878%0.78180%0.795SS**  trans-28.7162.7152.3-89.6-124.6000117.5
247E36Very low40.8Very low157 Ų157134.8 Ų134.873%0.73479%0.787SS**  cis-149.8-143.7-8.5-149.6-165.797.700109.6
248P44.1Very low40.8Very low86 Ų86137.2 Ų137.256%0.55879%0.794SS**  trans-120.8177-140.542-22.8000117.9
249N39.1Very low40.7Very low145 Ų145133.1 Ų133.178%0.77579%0.787SS**  trans60.688.1156.3-79.2-13.9000120
250H47.1Very low40.3Very low199 Ų199134.1 Ų134.192%0.92179%0.792SS**  trans-141.4116.3142.9-74.5-66.7000112.1
251L45.9Very low40.6Very low165 Ų165137.7 Ų137.786%0.86480%0.797SS**  trans-95.9167.2161.6-87.1155.5000108.3
252P44.1Very low41.5Very low108 Ų108132.3 Ų132.370%0.70179%0.79SS**  cis-141.3-167.222.740.3-19.3000116.5
253S39.8Very low41.9Very low118 Ų118134 Ų13483%0.82579%0.787SS**  trans84.9102.5154.5-57.90000119.5
254G40.1Very low41.8Very low75 Ų75137 Ų13777%0.77379%0.788SS**  trans-170.8127.5167.800000113
255C38.3Very low42.4Very low124 Ų124138.3 Ų138.384%0.83880%0.797SS**  trans-26.9122.1-179.337.90000121.3
256L38.3Very low42.5Very low170 Ų170135.6 Ų135.689%0.8979%0.794SS**  32.6123.5123.9-55.3172.8000120.7
257S39.3Very low42.7Very low109 Ų109137.9 Ų137.976%0.76280%0.804SS**  177.6136.7106-169.90000114.3
258S39.5Very low42.8Very low118 Ų118133.5 Ų133.583%0.82580%0.801SS**  trans58.8136.5151.7-54.50000122.1
259S40.8Very low42.7Very low107 Ų107140.4 Ų140.475%0.74882%0.816SS**  trans-115.7159.6-179.454.10000112.6
260V41.3Very low42.8Very low141 Ų141140.7 Ų140.786%0.85582%0.817SS**  trans-152139.4144.9172.40000109.1
261F44.9Very low42.6Very low189 Ų189135.4 Ų135.483%0.82981%0.808SS**PPolyproline II helixtrans-101.1147.3167.6-86.5-97.6000111.2
262P61.5Low42.6Very low119 Ų119132.9 Ų132.977%0.77380%0.804SS**PPolyproline II helixtrans-82.9134.4164.232.8-31.5000111.7
263P49Very low42.6Very low116 Ų116135.6 Ų135.675%0.75381%0.812SS**PPolyproline II helixtrans-94.4165.8-179.336.7-35.9000114.2
264Y37Very low43Very low237 Ų237134.7 Ų134.793%0.92980%0.803SS**PPolyproline II helixtrans-70.9143.8163.1-106-102.4000111.1
265S47.8Very low43.1Very low117 Ų117138 Ų13882%0.81881%0.809SS**  trans-139.8151.5169.6-75.10000109.7
266G39.6Very low43.4Very low70 Ų70135.1 Ų135.172%0.72280%0.8SS**  trans-154.4165.8-176.200000115.9
267F43.4Very low44Very low225 Ų225133.1 Ų133.199%0.98780%0.797SS**  trans-143.8147.9171.2-82.6-101.7000107.1
268G38.3Very low44.1Very low65 Ų65137.3 Ų137.367%0.6780%0.802SS**  cis161.5139.3-10.500000112.7
269R42.2Very low44.1Very low231 Ų231136.3 Ų136.387%0.87280%0.801SS**  trans82.6109.9162.6-59.4-174.9175.6-141.5-5121
270N40.7Very low44Very low151 Ų151135.5 Ų135.581%0.80780%0.801SS**  95149.1124-63.83.8000122.9
271A42.6Very low44Very low88 Ų88133.1 Ų133.173%0.72780%0.796SS**  trans82.486.4156.100000121.3
272S46.6Very low43.7Very low112 Ų112131.1 Ų131.178%0.78379%0.794SS**  38.7112.6126.8570000123.1
273L44.3Very low42.5Very low165 Ų165134.6 Ų134.686%0.86480%0.797SS**  -9.1167.5123-72.8168.1000119.5
274P47Very low42.1Very low99 Ų99139.9 Ų139.964%0.64380%0.804SS**  cis-138.6-172.1-3.231.4-8.2000116.3
275T43.3Very low42.1Very low145 Ų145132.5 Ų132.589%0.8979%0.791SS**  trans68.8150.2159.119.50000118.1
276G44.2Very low41.7Very low64 Ų64133 Ų13366%0.6679%0.789SS**  cis-159.6-175.50.100000112.1
277P50.5Low41.6Very low127 Ų127135.5 Ų135.583%0.82579%0.786SS**  trans-115156.6-157.240-33000117.7
278F41.2Very low41.3Very low198 Ų198131 Ų13187%0.86878%0.779SS**  trans-162.3143.6150.554.5-91.2000114
279A39.7Very low41.3Very low96 Ų96135.7 Ų135.779%0.79378%0.784SS**  trans39.8158.3149.500000123.4
280A39.6Very low41.2Very low90 Ų90135.8 Ų135.874%0.74479%0.786SS**  cis-175.9158.3-29.800000108.6
281A41Very low41.1Very low92 Ų92133.4 Ų133.476%0.7679%0.787SS**  trans61.2135.4167.900000117.3
282N38.4Very low40.9Very low147 Ų147138.8 Ų138.879%0.78679%0.79SS**  cis-137.6153.413.6-85.7-51000111.6
283F35.6Very low40.5Very low192 Ų192141.3 Ų141.384%0.84279%0.787SS**  trans-117.2125.1172-113.2-102.4000109.7A285F283-A285 HydrophobicContact CD1-CB 4.22Å
284Y40.6Very low40Very low227 Ų227138.3 Ų138.389%0.8979%0.786SS**  trans-127.4110156.7-80.7-75000107.9
285A38.6Very low39.7Very low81 Ų81137.4 Ų137.467%0.66979%0.787SS**  trans-134.1115.8-179.600000109.1F283F283-A285 HydrophobicContact CD1-CB 4.22Å
286V37.7Very low39.4Very low127 Ų127136 Ų13677%0.7778%0.78SS**  trans-139.4111.9175-176.70000109.3
287N38.1Very low39.3Very low124 Ų124142.9 Ų142.966%0.66379%0.792SS**  trans48.4121.9160.2-65.6-42.7000120.9
288P38.1Very low38.6Very low129 Ų129141.5 Ų141.584%0.83879%0.786SS**  -123.699.5128.634.3-24.9000111.2
289H37.2Very low38.2Very low164 Ų164137.1 Ų137.176%0.75978%0.78SS**  trans-115.194.5172.3-94.5-96000110.5
290Y40.3Very low38.2Very low234 Ų234139.9 Ų139.992%0.91878%0.78SS**  trans-166.581.3150.1-111.5-67.7000110.6
291A38.3Very low37.9Very low100 Ų100142.8 Ų142.883%0.82678%0.781SS**  trans-139.4104.4167.400000107.5
292Y39.7Very low37.8Very low202 Ų202143.6 Ų143.679%0.79278%0.782SS**  trans-122.2115-176.1-130.1-98.8000111.3
293F36.8Very low37.9Very low164 Ų164140 Ų14072%0.71978%0.779SS**  trans47.698.6156-80.1-103.8000119.1A295F293-A295 HydrophobicContact CD1-CB 4.22Å
294A35Very low38.3Very low103 Ų103139.7 Ų139.785%0.85178%0.781SS**  trans-112111.2130.700000107.4
295A40.5Very low38.1Very low80 Ų80133.9 Ų133.966%0.66177%0.771SS**  trans-92.2126.9-179.300000110.6F293F293-A295 HydrophobicContact CD1-CB 4.22Å
296P37.1Very low38.2Very low114 Ų114138.9 Ų138.974%0.7478%0.778SS**  trans-87.1136170.833.8-31.1000110.7
297F40.8Very low38.3Very low209 Ų209139.1 Ų139.192%0.91777%0.773SS**  trans-144.7148.4156.4-124.4-85.1000109.6
298S35.6Very low38Very low99 Ų99136 Ų13669%0.69277%0.77SS**  trans-140.6142.8-173.3-63.50000112.4
299S34.2Very low38.1Very low106 Ų106139.3 Ų139.374%0.74177%0.772SS**  trans71.7154.8150.971.10000121.4
300I38.5Very low38.9Very low154 Ų154136.8 Ų136.879%0.7977%0.77SS**  trans77.3121.6168-54.4172.7000113.1
301L33.6Very low39.3Very low150 Ų150131.1 Ų131.179%0.78576%0.762SS**  cis-154.8158.934.3-170.857.6000113
302S39.4Very low39.2Very low109 Ų109131.3 Ų131.376%0.76276%0.757SS**  trans37.8128.6159.559.90000120.2
303G39.3Very low38.9Very low72 Ų72129.5 Ų129.574%0.74276%0.76SS**  cis123.1146.542.600000107.6
304Q44.5Very low39Very low186 Ų186126.6 Ų126.687%0.86976%0.76SS**  cis-138.3169.718.1-76.5-75.5-3.600111.6
305P37.5Very low38.9Very low105 Ų105129.4 Ų129.468%0.68276%0.761SS**  trans-117.2156.6-171.540.8-31.3000117.2
306F39.4Very low38.8Very low186 Ų186128.5 Ų128.582%0.81676%0.76SS**  trans-160.1117.4157.2-148.1-115.4000106.7
307I40.2Very low39Very low131 Ų131128.8 Ų128.867%0.67276%0.76SS**  53.7128.773.8-51.8176.5000111.6
308G32.8Very low39Very low58 Ų58126.8 Ų126.860%0.59875%0.753SS**  cis164.7157-6.900000111.6
309F39.5Very low39.3Very low199 Ų199127.5 Ų127.587%0.87376%0.758SS**  trans74.3130.9169.8-58.6-82.2000121.1
310P54.4Low39.6Very low112 Ų112128.1 Ų128.173%0.72776%0.76SS**  trans-86.5179.9151.440.2-34.5000110.2
311P47.4Very low39.8Very low114 Ų114125.5 Ų125.574%0.7476%0.761SS**  cis-151.7-152.330.445.4-21.9000116.8
312S37.3Very low40.2Very low104 Ų104122.6 Ų122.673%0.72776%0.758SS**  trans84.5108.3152.261.60000122.8
313L34.1Very low40Very low164 Ų164125.8 Ų125.886%0.85977%0.765SS**  66.9142.7121-144.475.4000122.9
314S36.9Very low40.2Very low103 Ų103126 Ų12672%0.7277%0.767SS**  trans78.8151.4158.589.30000116.9
315N33.6Very low40.1Very low163 Ų163123.1 Ų123.187%0.87277%0.768SS**  cis-159.7160.1-10.3-136.94.9000112.7
316G39Very low40Very low61 Ų61125.7 Ų125.763%0.62977%0.774SS**  trans86.4153.1156.100000118.3
317T41Very low39.7Very low120 Ų120123.4 Ų123.474%0.73678%0.776SS**  cis-160163.1-7.5-29.90000111.4
318E40.8Very low39.7Very low166 Ų166121.4 Ų121.478%0.77678%0.779SS**  trans54.7142.6153.265.7-150.37600121.9
319S41.2Very low40.2Very low115 Ų115128.2 Ų128.280%0.80480%0.795SS**  cis-157.1170.3-0.2-119.50000113.3
320P42.2Very low39.9Very low119 Ų119126.7 Ų126.777%0.77379%0.793SS**  trans-121.7171.4-163.643.1-33.3000117.2
321A41Very low39.3Very low98 Ų98128.2 Ų128.281%0.8180%0.795SS**  trans-173.9157.414900000115.3
322A42.2Very low39.3Very low89 Ų89130.2 Ų130.274%0.73679%0.794SS**  trans59.3123.3165.400000119.2
323I35.5Very low39.5Very low177 Ų177133.8 Ų133.891%0.90880%0.802SS**  cis99.7119.316-55.5166.2000115.3
324G44.4Very low39.8Very low75 Ų75131.4 Ų131.477%0.77380%0.798SS**  trans97.8148.7166.700000115.3
325S41.7Very low39.8Very low127 Ų127134 Ų13489%0.88880%0.804SS**  cis-153.1165.6-10.8-165.80000112.1
326L34.9Very low40.5Very low158 Ų158129.8 Ų129.883%0.82780%0.798SS**  trans-79175.5-176.3-72.7146.8000114.5
327T33.2Very low40.4Very low138 Ų138134.5 Ų134.585%0.84780%0.804SS**  trans84.5126.1145.3-165.80000121.7
328A40.8Very low40Very low89 Ų89134.2 Ų134.274%0.73680%0.802SS**  trans-35.9157171.100000119.8
329Q43Very low40.1Very low202 Ų202134.8 Ų134.894%0.94481%0.805SS**  trans-144.5157.6145.4-109.9168.215.500111.7
330M34.4Very low39.9Very low166 Ų166136.6 Ų136.682%0.81881%0.806SS**  trans-121171.9-172.9-123.4-173.1-70.600110.8
331N40Very low39.8Very low145 Ų145137.1 Ų137.178%0.77581%0.812SS**  trans73.6150179.3-36.5-64.9000113.3
332H47.7Very low39.3Very low155 Ų155137.5 Ų137.572%0.71882%0.815SS**  cis-164.9135.123.945.4-72.1000111.1
333M42.6Very low39Very low180 Ų180138.5 Ų138.589%0.88782%0.823SS**  trans156.5144.2149.8-95.1174.9-81.700110.3
334S39.4Very low38.8Very low113 Ų113134.5 Ų134.579%0.7982%0.817SS**  cis-161.1152.4-42.4-164.60000106.8
335L36.9Very low38.5Very low159 Ų159140 Ų14083%0.83283%0.825SS**  trans-81.9151.7-176.1-93.462.1000113.2
336G48.1Very low38Very low74 Ų74140.2 Ų140.276%0.76382%0.821SS**  trans-145.6142.216900000111.4
337Q37.8Very low37.8Very low160 Ų160137.5 Ų137.575%0.74881%0.814SS**  trans-150.2161.1-165-75.1-168.3900113.1
338T33.5Very low38.1Very low113 Ų113136.4 Ų136.469%0.69381%0.812SS**  cis-120.6-108.1-6.50.90000111
339Q41.5Very low37.9Very low178 Ų178140.6 Ų140.683%0.83282%0.816SS**  cis-149.1164.3-8.1-76.7-171.25.500110.1
340N37.4Very low37.5Very low154 Ų154135.6 Ų135.682%0.82481%0.809SS**  trans-79.3160.6-175.6-57.2-33.8000113.2
341S39.6Very low37.8Very low130 Ų130132.7 Ų132.791%0.90981%0.806SS**  -165.7144.8121.4-83.20000111.5
342A31.5Very low37.5Very low105 Ų105135.4 Ų135.487%0.86881%0.811SS**  trans-134.8144.8176.700000110.3
343A36.2Very low37Very low110 Ų110137.6 Ų137.691%0.90982%0.821SS**  trans-153.1143.1170.700000110.1
344A30.8Very low36.9Very low93 Ų93133.3 Ų133.377%0.76982%0.815SS**  trans-142.2137.1178.400000110.5
345M37.9Very low36.9Very low191 Ų191134.1 Ų134.194%0.94182%0.817SS**  trans-147.289.3173.9-73.8-163.2175.600113.6
346T32Very low37Very low131 Ų131131.4 Ų131.480%0.80482%0.817SS**  40.4109.1112.4-50.30000121.6
347C29.5Very low36.3Very low102 Ų102136.1 Ų136.169%0.68982%0.824SS**  68.4121.4129.7-161.10000124
348S40.1Very low36.3Very low115 Ų115135.5 Ų135.580%0.80483%0.832SS**  -178.1119.7127.425.50000108.2
349Q36Very low36.2Very low177 Ų177138.8 Ų138.883%0.82784%0.839SS**  89.3115.864.3-87.1-155.610.800115.8
350A35.3Very low35.8Very low96 Ų96138.7 Ų138.779%0.79384%0.841SS**  trans63.3150.8156.800000118.8
351S39.1Very low35.6Very low106 Ų106140.1 Ų140.174%0.74184%0.842SS**  cis-156.9158.26.319.60000113.5
352F35.2Very low35.6Very low201 Ų201137.9 Ų137.988%0.88283%0.825SS**  trans3.9132.1158.2-62.5-92.2000121
353Q35.6Very low35.5Very low201 Ų201136.8 Ų136.894%0.93982%0.815SS**  -160.3-172.295.2-125.7170.5-25.700113.4
354A41.5Very low35.4Very low91 Ų91142.1 Ų142.175%0.75281%0.813SS**  trans-99.1167.7-154.700000115.3
355P39.7Very low35.5Very low129 Ų129146.7 Ų146.784%0.83882%0.819SS**  trans-96.1164.2-157.937.8-36.9000115.9
356A38.7Very low35.4Very low102 Ų102144.6 Ų144.684%0.84381%0.81SS**  trans-131.5150.5163.200000110.6
357L33Very low35.4Very low173 Ų173146.9 Ų146.991%0.90681%0.805SS**  trans-77.9134.7-177.5-76.2157.5000112.5
358T37.6Very low35.5Very low148 Ų148151.7 Ų151.791%0.90882%0.817SS**  trans-164.1159.6136.98.80000110.8
359H32.9Very low35.1Very low182 Ų182153.1 Ų153.184%0.84381%0.811SS**  trans-99.1115.2-162.4178.561.7000112.1
360M32Very low35.1Very low176 Ų176149.8 Ų149.887%0.86781%0.805SS**  trans-152111.5179.3-85.8-65155.300113.6
361H34.3Very low35.1Very low183 Ų183155.6 Ų155.685%0.84781%0.808SS**  trans-173164.9140.3-125.2-134.3000110
362P38.4Very low35Very low84 Ų84158.5 Ų158.555%0.54581%0.807SS.*  -139.5-172.6-106.741.8-20.9000115.7
363A30.7Very low35.4Very low81 Ų81153.3 Ų153.367%0.66979%0.794SS**  trans21.2110.2146.300000119.8
364Y33.9Very low35.8Very low222 Ų222149.4 Ų149.487%0.87179%0.786SS**  trans-132.775.8149.7-89.4-77.4000111.2
365H32.3Very low35.7Very low190 Ų190154.3 Ų154.388%0.8879%0.79SS**  trans-79.5109.2158.8-84.4-90.4000108.8
366I36.4Very low35.3Very low147 Ų147154 Ų15475%0.75479%0.79SS**  trans-153.4125.3162.9-114.8157.8000111.6
367Y31.6Very low35.3Very low178 Ų178157.2 Ų157.270%0.69879%0.79SS**  trans34.799.6161.4-79.5-100.6000119.9Q369Y367-Q369 HydrophobicContact CD1-CB 4.1Å; Y367-Q369 HydrophobicContact CD1-CG 3.89Å; Y367-Q369 HydrophobicContact CE1-CB 4.45Å; Y367-Q369 HydrophobicContact CE1-CG 3.93Å
368Q31.5Very low35.7Very low203 Ų203154.1 Ų154.195%0.94978%0.78SS**  trans-108.5101.2130.5-68.7-170.118.300108.7
369Q31.1Very low35.4Very low145 Ų145154.6 Ų154.668%0.67877%0.772SS**  trans-114.1139164-82.8-163-13.100110.1Y367 Y371Y367-Q369 HydrophobicContact CD1-CB 4.1Å; Y367-Q369 HydrophobicContact CD1-CG 3.89Å; Y367-Q369 HydrophobicContact CE1-CB 4.45Å; Y367-Q369 HydrophobicContact CE1-CG 3.93Å; Q369-Y371 PolarHBondContact O-N 3.42Å; Q369-Y371 VanDerWaalsContact O-N 3.12Å
370P37Very low35.8Very low108 Ų108155.4 Ų155.470%0.70177%0.773SS**  trans-75.299.5174.130.8-32.6000109.8F372P370-F372 PolarHBondContact O-N 3.45Å
371Y35.1Very low35.7Very low217 Ų217154.7 Ų154.785%0.85177%0.768SS**  trans-70.796.1178.6-158.7-84.8000110.8Q369Q369-Y371 PolarHBondContact O-N 3.42Å; Q369-Y371 VanDerWaalsContact O-N 3.12Å
372F36.1Very low35.8Very low168 Ų168149.7 Ų149.774%0.73777%0.766SS**PPolyproline II helixtrans-69.4132.9169.4-83.7-96.4000109.9P370P370-F372 PolarHBondContact O-N 3.45Å
373P44Very low35.4Very low91 Ų91149.3 Ų149.359%0.59178%0.777SS**PPolyproline II helixtrans-69.9146.4168.131.2-33.7000109.9F375P373-F375 PolarHBondContact O-N 2.93Å
374P43.1Very low35.9Very low120 Ų120153.4 Ų153.478%0.77979%0.787SS**PPolyproline II helixtrans-65.6131.2173.827.9-33.7000110.2C376P374-C376 PolarHBondContact O-N 3.14Å
375F39.3Very low35.9Very low193 Ų193149 Ų14985%0.84678%0.778SS**PPolyproline II helixtrans-72.4120.4168.1-95.1-94.7000109.3P373 M377P373-F375 PolarHBondContact O-N 2.93Å; F375-M377 PolarHBondContact O-N 2.88Å
376C32.1Very low36Very low124 Ų124148.4 Ų148.484%0.83878%0.776SS**PPolyproline II helixtrans-75.8116.9167.9-168.30000108.6P374P374-C376 PolarHBondContact O-N 3.14Å
377M39.5Very low36.2Very low168 Ų168147.4 Ų147.483%0.82878%0.777SS**PPolyproline II helixtrans-77.2132172.1-80.7-72.1-175.300109.7F375 E379F375-M377 PolarHBondContact O-N 2.88Å; M377-E379 PolarHBondContact O-N 3.43Å
378P40.6Very low36.3Very low109 Ų109143.9 Ų143.971%0.70878%0.778SS**PPolyproline II helixtrans-73.1121.9168.430.2-31.6000109.6F380P378-F380 PolarHBondContact O-N 3.41Å
379E32.4Very low36.5Very low157 Ų157139.6 Ų139.673%0.73477%0.77SS**PPolyproline II helixtrans-70.8125172.9-168.4-178.8137.100109.7M377 Q381M377-E379 PolarHBondContact O-N 3.43Å; E379-Q381 HydrophobicContact CG-CG 4.49Å; E379-Q381 PolarHBondContact OE1-NE2 3.37Å
380F40.2Very low36.9Very low199 Ų199140.6 Ų140.687%0.87378%0.779SS**  trans-120.991.4180-135.5-82.1000110.4P378P378-F380 PolarHBondContact O-N 3.41Å
381Q31Very low36.9Very low162 Ų162144.1 Ų144.176%0.75779%0.787SS**  trans-80.8129.1169.3-60.5-176.8800109.2E379E379-Q381 HydrophobicContact CG-CG 4.49Å; E379-Q381 PolarHBondContact OE1-NE2 3.37Å
382G35.6Very low37.1Very low77 Ų77141.2 Ų141.279%0.79479%0.786SS**  trans170.777.3-178.100000112.9
383G30.1Very low37.1Very low76 Ų76138.9 Ų138.978%0.78479%0.789SS**  trans-91.5153.8168.800000111.9
384L40.3Very low36.6Very low168 Ų168140.6 Ų140.688%0.8880%0.797SS**  trans-156.7165.5147.5-103.8177.3000108.9
385N35Very low36.6Very low129 Ų129144.1 Ų144.169%0.6980%0.803SS**  trans-100.8162.4-157.1-47.1-35.2000114.7
386E33.9Very low36.2Very low178 Ų178140.4 Ų140.483%0.83280%0.796SS**  trans66157.3156.2-65.8166.583.200116.8
387V40.8Very low36.6Very low126 Ų126142.6 Ų142.676%0.76480%0.799SS**  cis-134.7146.9151800000111.5
388S34.4Very low36.8Very low104 Ų104140.5 Ų140.573%0.72780%0.795SS**  trans-0.7158161.5-46.10000125.1
389S35.5Very low37.4Very low112 Ų112140.6 Ų140.678%0.78380%0.796SS**  trans80.4140.8160.1-57.30000117
390L40Very low38Very low167 Ų167139 Ų13987%0.87480%0.799SS**  cis-135.2151.78.1-157.275.2000110.7
391E37.2Very low37.9Very low182 Ų182135.8 Ų135.885%0.8580%0.796SS**  trans-85143.2177.2-57.4176111.100111.5
392D37.4Very low38.3Very low156 Ų156134.8 Ų134.883%0.83480%0.801SS**  -169.5161.1129.4-129.5-43.9000114.5
393C36.9Very low38.5Very low118 Ų118136.3 Ų136.380%0.79780%0.8SS**  trans58.794.4166.4-71.80000119.4
394V33.7Very low38.8Very low127 Ų127137.7 Ų137.777%0.7780%0.804SS**  trans-82.5131167.9-179.10000111.6
395H43.4Very low38.7Very low195 Ų195135 Ų13590%0.90380%0.799SS**  trans-144.2111.2154.9-103.4-52.5000113.2
396T31.5Very low38.8Very low115 Ų115137.1 Ų137.171%0.70681%0.809SS**  trans-79.2117179.4-52.10000111.7
397L40.5Very low39.2Very low170 Ų170134.1 Ų134.189%0.8980%0.804SS**  trans-138.8133.8160.9-74.4178.6000110.5
398T43.1Very low38.8Very low123 Ų123133.7 Ų133.776%0.75581%0.805SS**PPolyproline II helixtrans-95.5152.1-177.143.30000112.2
399P52.6Low39.1Very low112 Ų112136.1 Ų136.173%0.72781%0.81SS**PPolyproline II helixtrans-71.5144.8172.730.5-34.5000111.2
400P45Very low39.2Very low122 Ų122140.1 Ų140.179%0.79282%0.816SS**PPolyproline II helixtrans-77.4125.3-178.530.1-34.1000112.4T402P400-T402 PolarHBondContact O-N 3.43Å
401T38.4Very low39.4Very low132 Ų132141.4 Ų141.481%0.8182%0.817SS**  trans-77.5113.8172.9-54.50000110.9S403T401-S403 PolarHBondContact O-N 2.89Å
402T39.8Very low39.6Very low141 Ų141137.8 Ų137.887%0.86582%0.819SS**  trans-81.4105.8168.6-46.30000110P400P400-T402 PolarHBondContact O-N 3.43Å
403S38.7Very low39.6Very low109 Ų109134.1 Ų134.176%0.76282%0.818SS**  trans-98.8140.2168.851.60000110.8T401T401-S403 PolarHBondContact O-N 2.89Å
404A36.8Very low39.9Very low106 Ų106135.9 Ų135.988%0.87682%0.819SS**  trans-121.3111.7174.600000109.2
405S39Very low40.3Very low110 Ų110136.8 Ų136.877%0.76983%0.825SS**  trans-100.4112.4177.553.60000110.4
406L35.8Very low40.3Very low174 Ų174130.7 Ų130.791%0.91182%0.815SS**  trans-82.8110.8167.9-87.3156.8000109.4
407T43.6Very low41Very low116 Ų116135.4 Ų135.471%0.71283%0.826SS**  trans-99.5112168.749.40000109.4
408C32.9Very low40.9Very low117 Ų117135.5 Ų135.579%0.79182%0.822SS**  trans-80.3116.2170.9-60.10000109.5
409N39.9Very low40.7Very low155 Ų155136.2 Ų136.283%0.82982%0.821SS**  trans-100.8124.5160.9-75.20.5000107.7
410E38.3Very low40.3Very low195 Ų195135.4 Ų135.491%0.91181%0.814SS**  trans-108.781.4-173.9-167.2169.7115.800109.6
411E43.7Very low40.4Very low194 Ų194138.2 Ų138.291%0.90781%0.814SS**  trans-125.8157.7171-77.5-156.1101.200111.8G413E411-G413 PolarHBondContact O-N 3.08Å
412A41.2Very low40.9Very low107 Ų107140.6 Ų140.688%0.88482%0.816SS**  trans-73.3126.2-154.700000115.2
413G37.7Very low41.1Very low78 Ų78139 Ų13980%0.80481%0.81SS**  81.752.5122.300000119.1E411E411-G413 PolarHBondContact O-N 3.08Å
414D42.8Very low41.3Very low156 Ų156139 Ų13983%0.83481%0.81SS**  trans-145.9142.8141.4-151.2-13.4000111.5G416D414-G416 PolarHBondContact O-N 3.43Å
415T41.5Very low41.7Very low145 Ų145139.7 Ų139.789%0.8980%0.803SS**  trans-97.674.8-170.652.80000112.4
416G44.8Very low42.1Very low68 Ų68140.5 Ų140.570%0.70180%0.803SS**  trans-135.9100.7175.300000113.1D414D414-G416 PolarHBondContact O-N 3.43Å
417F44.8Very low42.3Very low213 Ų213139 Ų13993%0.93480%0.796SS**  trans-90.3108.1175.9-108.5-88.3000111.8
418Q39Very low42.6Very low172 Ų172138.5 Ų138.580%0.80480%0.797SS**  trans-101.7118170.1-170.817845.200110.4
419L38.3Very low42.9Very low139 Ų139136.1 Ų136.173%0.72879%0.793SS**  trans-96.293.8178.7-106.8159.1000110.8F421L419-F421 HydrophobicContact CD2-CE2 3.97Å; L419-F421 HydrophobicContact CD2-CZ 4.18Å
420T44.9Very low43.2Very low94 Ų94135.3 Ų135.358%0.57779%0.793SS**  trans-95.3105-177.8-55.80000111.3
421F47.6Very low43.6Very low181 Ų181131.6 Ų131.679%0.79479%0.788SS**  trans-88.2107.7174.2-74.8-86.6000111.6L419 S423L419-F421 HydrophobicContact CD2-CE2 3.97Å; L419-F421 HydrophobicContact CD2-CZ 4.18Å; F421-S423 PolarHBondContact O-N 3.26Å
422H49.1Very low43.8Very low183 Ų183127.3 Ų127.385%0.84779%0.786SS**  trans-80.7104.9167.4-92.1-149.4000110.9
423S42.3Very low44.4Very low107 Ų107128 Ų12875%0.74878%0.784SS**  trans-89.2103.8168.2-171.60000109.9F421 V425F421-S423 PolarHBondContact O-N 3.26Å; S423-V425 PolarHBondContact O-N 2.95Å
424S43.6Very low44.6Very low109 Ų109129.8 Ų129.876%0.76279%0.785SS**  trans-83.9105.5174.2-170.60000110.2V426S424-V426 PolarHBondContact O-N 2.73Å
425V44.9Very low44.7Very low120 Ų120135.4 Ų135.473%0.72780%0.802SS**  trans-81.2100.4174.8-179.90000109.1S423 N427S423-V425 PolarHBondContact O-N 2.95Å; V425-N427 VanDerWaalsContact C-N 3.33Å; V425-N427 PolarHBondContact O-N 3.48Å
426V48.2Very low44.9Very low128 Ų128134.9 Ų134.978%0.77680%0.797SS**  trans-74.587.6174.2-172.80000109.2S424 S428S424-V426 PolarHBondContact O-N 2.73Å; V426-S428 PolarHBondContact O-N 3.06Å
427N39.5Very low44.9Very low143 Ų143138.4 Ų138.477%0.76580%0.802SS**  trans-77.788.9-176.7-17017.2000111.5V425 G429V425-N427 VanDerWaalsContact C-N 3.33Å; V425-N427 PolarHBondContact O-N 3.48Å; N427-G429 VanDerWaalsContact C-N 3.32Å; N427-G429 PolarHBondContact O-N 3.3Å
428S48.9Very low44.9Very low104 Ų104134.3 Ų134.373%0.72780%0.795SS**  trans-73.580.2176.958.90000111.6V426 V430V426-S428 PolarHBondContact O-N 3.06Å; S428-V430 PolarHBondContact O-N 2.94Å
429G40.7Very low45.2Very low68 Ų68132.1 Ų132.170%0.70180%0.795SS**  trans-67.3116.2-179.800000113.1N427N427-G429 VanDerWaalsContact C-N 3.32Å; N427-G429 PolarHBondContact O-N 3.3Å
430V46.2Very low45.6Very low138 Ų138131.6 Ų131.684%0.83680%0.799SS**  trans-100.1103.2169.4179.90000108.8S428 A432S428-V430 PolarHBondContact O-N 2.94Å; V430-A432 PolarHBondContact O-N 3.2Å
431S45.3Very low45.7Very low116 Ų116134.1 Ų134.181%0.81181%0.814SS**  trans-82.391.8179.957.60000111.7S433S431-S433 PolarHBondContact O-N 3.23Å
432A47.8Very low45.5Very low104 Ų104130.8 Ų130.886%0.8682%0.815SS**  trans-74.4102.9166.500000109.8V430V430-A432 PolarHBondContact O-N 3.2Å
433S55.2Low45.3Very low121 Ų121126.8 Ų126.885%0.84681%0.812SS**  trans-90.4134.2174.5-163.60000110.4S431S431-S433 PolarHBondContact O-N 3.23Å
434S40.6Very low45.5Very low116 Ų116128.4 Ų128.481%0.81182%0.818SS**  trans-88.5138.9-173.7-171.80000112.5
435K45.2Very low45.7Very low274 Ų274130.2 Ų130.2100%1.19182%0.823SS**  trans-158.20159.6-139.6178.4-174.5-178.40112.2

Retrieved 435 of 435 residues in 297.2 ms (Link to these results)