Q26561_SCHMA Loading...

Nuclear transcription factor Y subunit

Component of the sequence-specific heterotrimeric transcription factor (NF-Y) which specifically recognizes a 5'-CCAAT-3' box motif found in the promoters of its target genes.

AlphaFold DB , UniProt , Accession Q26561, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 268 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
1M52.5Low51.8Low231 Ų231151.4 Ų151.4100%1.13885%0.846SS**  0100.70-72.2174.4178.100105.8
2M51.2Low52.1Low184 Ų184150.3 Ų150.391%0.90684%0.836SS**  trans-103.6113.2-171.7-76.780.8172.300108.1
3D59.9Low52.1Low162 Ų162147.9 Ų147.987%0.86683%0.831SS**  trans-109.3125.6169.8-76.5-48.2000110.1
4G49.8Very low52Low73 Ų73144.2 Ų144.275%0.75383%0.829SS**  trans-80.7141.1-164.500000115.1
5Y50.5Low51.5Low213 Ų213146.5 Ų146.584%0.83583%0.829SS**  trans-79.9127.5162.5-99.5-99.2000110
6I59.4Low51.3Low165 Ų165144.6 Ų144.685%0.84682%0.821SS**  trans-107111.1162.7-49.9-71.5000108.1
7H49.5Very low50.9Low167 Ų167144.2 Ų144.277%0.77382%0.815SS**  trans-82.3138.2163.4-100.157.2000109.4
8A55Low50.4Low96 Ų96144.2 Ų144.279%0.79381%0.811SS**  trans176.6107.3135.600000110.9
9G45Very low50.2Low81 Ų81145.7 Ų145.784%0.83581%0.811SS**  trans-76125160.400000109.8
10Q46.6Very low50Low155 Ų155143.8 Ų143.872%0.72481%0.805SS**  trans-109.2105.8173.4-122.5-97.621.900106.8L12Q10-L12 VanDerWaalsContact OE1-CD2 3.25Å
11V50.2Low49.9Very low138 Ų138144 Ų14484%0.83680%0.804SS**  trans-97.7107.7174.5-174.70000107
12L56Low49.5Very low139 Ų139141.5 Ų141.573%0.72879%0.79SS**  trans-80.9132.3174.6-65.2167.6000109.7Q10 A14Q10-L12 VanDerWaalsContact OE1-CD2 3.25Å; L12-A14 PolarHBondContact O-N 3.07Å
13P51.9Low49.4Very low119 Ų119139.2 Ų139.277%0.77378%0.777SS**  trans-77.6119.3174.830.5-31000110Q15P13-Q15 PolarHBondContact O-N 2.87Å
14A50Low48.8Very low96 Ų96136.8 Ų136.879%0.79377%0.77SS**  trans-71.7114.3171.400000109.6L12 T16L12-A14 PolarHBondContact O-N 3.07Å; A14-T16 PolarHBondContact O-N 3.17Å
15Q44.6Very low48.6Very low179 Ų179139 Ų13984%0.83676%0.764SS**  trans-71.4113.8169.1-77.8-151.238.100110.2P13 I17P13-Q15 PolarHBondContact O-N 2.87Å; Q15-I17 PolarHBondContact O-N 2.7Å
16T48.2Very low48.5Very low115 Ų115135.5 Ų135.571%0.70676%0.758SS**  trans-79.1104.4169.3-54.70000109A14 L18A14-T16 PolarHBondContact O-N 3.17Å; T16-L18 HydrophobicContact CG2-CD1 3.57Å; T16-L18 PolarHBondContact O-N 2.96Å
17I45Very low47.7Very low138 Ų138135.1 Ų135.171%0.70876%0.755SS**  trans-80.6103169-70.5165000108Q15 Q19Q15-I17 PolarHBondContact O-N 2.7Å; I17-Q19 HydrophobicContact CG2-CG 4.31Å
18L41.7Very low47.6Very low144 Ų144129.9 Ų129.975%0.75473%0.733SS**  trans-82.8115.6165-82.591.3000108.7T16T16-L18 HydrophobicContact CG2-CD1 3.57Å; T16-L18 PolarHBondContact O-N 2.96Å
19Q48Very low47.7Very low174 Ų174130.3 Ų130.381%0.81374%0.736SS**  trans-99.1115.4159.9-74.3-173.74.400108.5I17 L21I17-Q19 HydrophobicContact CG2-CG 4.31Å; Q19-L21 PolarHBondContact O-N 3.16Å
20P44.3Very low48.2Very low106 Ų106133.1 Ų133.169%0.68873%0.732SS**  trans-70.8112.9167.528.2-30.3000108.5Q22P20-Q22 VanDerWaalsContact C-N 3.32Å; P20-Q22 PolarHBondContact O-N 3.4Å
21L48.7Very low48.5Very low150 Ų150129.1 Ų129.179%0.78573%0.733SS**  trans-72.192.3167-165.977.1000107.5Q19 Q23Q19-L21 PolarHBondContact O-N 3.16Å; L21-Q23 PolarHBondContact O-N 3.01Å
22Q44.6Very low48.6Very low177 Ų177125 Ų12583%0.82771%0.713SS**  trans-67.4101.8173.4-67.8178.24.800108.6P20P20-Q22 VanDerWaalsContact C-N 3.32Å; P20-Q22 PolarHBondContact O-N 3.4Å
23Q48.8Very low48.5Very low136 Ų136121.4 Ų121.464%0.63670%0.703SS**  trans-86.2139161.4-80.8-1766.400108.9L21 L25L21-Q23 PolarHBondContact O-N 3.01Å; Q23-L25 PolarHBondContact O-N 3.23Å
24P47.4Very low48.6Very low112 Ų112120.7 Ų120.773%0.72769%0.689SS**  trans-61.9133.5177.824.6-31.5000110.4I26P24-I26 PolarHBondContact O-N 2.91Å; P24-I26 VanDerWaalsContact O-N 3.08Å
25L44.7Very low49Very low118 Ų118118.5 Ų118.562%0.61867%0.667SS**  trans-55.5109.5169-108.7148.2000108.7Q23 M27Q23-L25 PolarHBondContact O-N 3.23Å; L25-M27 PolarHBondContact O-N 3.13Å
26I48.1Very low49.9Very low140 Ų140112.3 Ų112.372%0.71864%0.642SS**  trans-83.9104.6174.1-44177.5000106.3P24P24-I26 PolarHBondContact O-N 2.91Å; P24-I26 VanDerWaalsContact O-N 3.08Å
27M42.7Very low50.6Low157 Ų157110.3 Ų110.377%0.77363%0.629SS**  trans-74.9126168.5-65.2175.2179.800108.3L25L25-M27 PolarHBondContact O-N 3.13Å
28D48.1Very low51.8Low58 Ų58107.5 Ų107.531%0.3161%0.612SS.*  trans-65.5147.9165.51674.1000109.2N30 G31 Q34D28-N30 PolarHBondContact O-N 3.28Å; D28-N30 PolarHBondContact OD1-N 3.37Å; D28-G31 PolarHBondContact O-N 3.23Å; D28-Q34 HydrophobicContact CB-CG 4.37Å
29A56.8Low53Low105 Ų105103.7 Ų103.787%0.86860%0.602SS**THydrogen-bonded Turntrans-53-13.2173.800000114.5
30N55.4Low54Low139 Ų13998.2 Ų98.274%0.74358%0.58SS**THydrogen-bonded Turntrans-96.46.5174.8-67.8-43.8000115.5D28 A32D28-N30 PolarHBondContact O-N 3.28Å; D28-N30 PolarHBondContact OD1-N 3.37Å; N30-A32 PolarHBondContact O-N 2.88Å; N30-A32 VanDerWaalsContact O-N 3.12Å
31G53.9Low55.4Low72 Ų7299.9 Ų99.974%0.74258%0.579SS**  trans68.49.1177.800000115D28D28-G31 PolarHBondContact O-N 3.23Å
32A51.6Low56.5Low51 Ų5194 Ų9442%0.42155%0.552SS.*  trans-80.7125.4174.200000110.1N30 Q34N30-A32 PolarHBondContact O-N 2.88Å; N30-A32 VanDerWaalsContact O-N 3.12Å; A32-Q34 PolarHBondContact O-N 3.26Å
33A53.5Low58Low64 Ų6492.2 Ų92.253%0.52956%0.559SS.*  trans-64.1107174.600000109.5
34Q54.6Low59.5Low103 Ų10391.8 Ų91.848%0.48156%0.561SS.*  trans-69.3137.7173.9-76-74-22.300109.4D28 A32 T36D28-Q34 HydrophobicContact CB-CG 4.37Å; A32-Q34 PolarHBondContact O-N 3.26Å; Q34-T36 PolarHBondContact O-N 3.34Å
35P58.8Low60.8Low51 Ų5188.4 Ų88.433%0.33155%0.546SS..  trans-58.1129.1174.119.2-28.1000110.9Q51 L52P35-Q51 HydrophobicContact CB-CG 3.33Å; P35-Q51 HydrophobicContact CG-CG 4.31Å; P35-L52 CarbonylContact C-O 3.57Å; P35-L52 VanDerWaalsContact CA-O 3.23Å; P35-L52 WeakPolarHBondContact CA-O 3.47Å
36T62.6Low62.2Low49 Ų4985.4 Ų85.430%0.30154%0.535SS..EExtended strand (participates in β ladder)trans-86.7113.8178.5-56.70000109.3Q34 Q51 L52Q34-T36 PolarHBondContact O-N 3.34Å; T36-Q51 CarbonylContact O-C 3.59Å; T36-Q51 WeakPolarHBondContact O-CA 3.43Å; T36-L52 PolarHBondContact N-O 2.98Å; T36-L52 PolarHBondContact O-N 2.91Å
37T63.1Low63.3Low72 Ų7283.8 Ų83.844%0.44253%0.528SS..EExtended strand (participates in β ladder)trans-93.7123.7175.8-52.50000111P49 V50 Q51T37-P49 HydrophobicContact CG2-CB 4.44Å; T37-V50 CarbonylContact C-O 3.53Å; T37-V50 VanDerWaalsContact CA-O 3.24Å; T37-V50 WeakPolarHBondContact CA-O 3.3Å; T37-Q51 PolarHBondContact OG1-OE1 3.48Å
38F70.5Confident64.7Low79 Ų7979 Ų7935%0.34650%0.504SS..EExtended strand (participates in β ladder)trans-129.5163.1171.256.4-90.9000110.5V40 V50 L52F38-V40 HydrophobicContact CD2-CG2 3.86Å; F38-V40 HydrophobicContact CE2-CG2 3.57Å; F38-V50 HydrophobicContact CD2-CB 4.1Å; F38-V50 HydrophobicContact CE1-CG1 4.16Å; F38-V50 HydrophobicContact CE2-CB 3.78Å; F38-V50 HydrophobicContact CE2-CG1 3.76Å; F38-V50 HydrophobicContact CE2-CG2 4.45Å; F38-V50 HydrophobicContact CZ-CB 4.05Å; F38-V50 HydrophobicContact CZ-CG1 3.56Å; F38-V50 PolarHBondContact N-O 3.17Å; F38-V50 PolarHBondContact O-N 3.17Å; F38-V50 VanDerWaalsContact O-O 3.1Å; F38-L52 HydrophobicContact CE1-CB 4.11Å; F38-L52 HydrophobicContact CE1-CD1 4.28Å
39A66.4Low65.7Low65 Ų6578.1 Ų78.154%0.53750%0.502SS..EExtended strand (participates in β ladder)trans-102.1130.9176.300000110.4L47 I48A39-L47 HydrophobicContact CB-CB 4.33Å; A39-I48 CarbonylContact C-O 3.58Å; A39-I48 WeakPolarHBondContact CA-O 3.44Å
40V68.7Low66.5Low59 Ų5973.2 Ų73.236%0.35846%0.461SS..EExtended strand (participates in β ladder)trans-102.3129.3170.4-179.80000108.5F38 I48 V50F38-V40 HydrophobicContact CD2-CG2 3.86Å; F38-V40 HydrophobicContact CE2-CG2 3.57Å; V40-I48 PolarHBondContact N-O 2.85Å; V40-I48 PolarHBondContact O-N 2.94Å; V40-V50 HydrophobicContact CB-CG2 4.14Å; V40-V50 HydrophobicContact CG2-CB 4.24Å; V40-V50 HydrophobicContact CG2-CG2 3.57Å
41Q73.6Confident67.2Low141 Ų14168.9 Ų68.966%0.65944%0.436SS*.EExtended strand (participates in β ladder)trans-82.2119.7175.1-173.4175.2-11.700109.9S46 L47Q41-S46 CarbonylContact C-O 3.48Å; Q41-S46 WeakPolarHBondContact CA-O 3.47Å; Q41-L47 HydrophobicContact CB-CD2 3.92Å; Q41-L47 HydrophobicContact CG-CD2 4.25Å
42A72.9Confident67.8Low27 Ų2767.9 Ų67.922%0.22341%0.414CS..PPolyproline II helixtrans-74.1164.6172.300000111.6D44 G45 S46 I48A42-D44 WeakPolarHBondContact CB-OD1 3.38Å; A42-D44 PolarHBondContact O-N 2.89Å; A42-D44 VanDerWaalsContact O-N 3.16Å; A42-G45 WeakPolarHBondContact O-CA 3.44Å; A42-G45 PolarHBondContact O-N 2.95Å; A42-S46 PolarHBondContact N-O 3.26Å; A42-I48 HydrophobicContact CB-CD1 3.92Å; A42-I48 HydrophobicContact CB-CG1 4.4Å
43S76.2Confident68.3Low139 Ų13966.8 Ų66.897%0.97241%0.405SS*.THydrogen-bonded Turntrans-62.3-20.5-17851.20000114G45S43-G45 VanDerWaalsContact C-N 3.32Å
44D80.4Confident68.6Low127 Ų12767.4 Ų67.468%0.67940%0.402SS*.THydrogen-bonded Turntrans-86.80.6173.867.6-10.9000113.4A42 S46A42-D44 WeakPolarHBondContact CB-OD1 3.38Å; A42-D44 PolarHBondContact O-N 2.89Å; A42-D44 VanDerWaalsContact O-N 3.16Å; D44-S46 VanDerWaalsContact C-N 3.34Å; D44-S46 WeakPolarHBondContact OD1-CB 3.35Å; D44-S46 PolarHBondContact OD1-N 3.24Å
45G75.1Confident68.8Low41 Ų4164.7 Ų64.742%0.42339%0.394SS..SBendtrans83.22.9-176.600000114.8A42 S43A42-G45 WeakPolarHBondContact O-CA 3.44Å; A42-G45 PolarHBondContact O-N 2.95Å; S43-G45 VanDerWaalsContact C-N 3.32Å
46S73.5Confident69Low55 Ų5568 Ų6839%0.38543%0.426SS..PPolyproline II helixtrans-71.6139.2175.2-172.40000111.1Q41 A42 D44Q41-S46 CarbonylContact C-O 3.48Å; Q41-S46 WeakPolarHBondContact CA-O 3.47Å; A42-S46 PolarHBondContact N-O 3.26Å; D44-S46 VanDerWaalsContact C-N 3.34Å; D44-S46 WeakPolarHBondContact OD1-CB 3.35Å; D44-S46 PolarHBondContact OD1-N 3.24Å
47L71.9Confident69.1Low106 Ų10669.3 Ų69.356%0.55545%0.449SS*.EExtended strand (participates in β ladder)trans-91.1119.7173.2-64.8-179.8000109.4A39 Q41A39-L47 HydrophobicContact CB-CB 4.33Å; Q41-L47 HydrophobicContact CB-CD2 3.92Å; Q41-L47 HydrophobicContact CG-CD2 4.25Å
48I70.6Confident69.1Low55 Ų5569 Ų6928%0.28246%0.461SS..EExtended strand (participates in β ladder)trans-102116.7177.1-55.9174.2000108.2A39 V40 A42 V50 F64A39-I48 CarbonylContact C-O 3.58Å; A39-I48 WeakPolarHBondContact CA-O 3.44Å; V40-I48 PolarHBondContact N-O 2.85Å; V40-I48 PolarHBondContact O-N 2.94Å; A42-I48 HydrophobicContact CB-CD1 3.92Å; A42-I48 HydrophobicContact CB-CG1 4.4Å; I48-V50 HydrophobicContact CG2-CG2 4.45Å; I48-V50 PolarHBondContact O-N 3.45Å; I48-F64 HydrophobicContact CG2-CD1 3.97Å
49P70.4Confident68.4Low41 Ų4166.9 Ų66.927%0.26646%0.461SS..EExtended strand (participates in β ladder)trans-68.9129.6172.427.4-31000110.2T37 L65T37-P49 HydrophobicContact CG2-CB 4.44Å; P49-L65 HydrophobicContact CG-CB 4.11Å; P49-L65 PolarHBondContact O-N 2.93Å; P49-L65 VanDerWaalsContact O-N 3.11Å
50V73Confident68.2Low1 Ų169.8 Ų69.81%0.00646%0.464CS..EExtended strand (participates in β ladder)trans-125133.5-178177.30000108.3T37 F38 V40 I48 I62 F64T37-V50 CarbonylContact C-O 3.53Å; T37-V50 VanDerWaalsContact CA-O 3.24Å; T37-V50 WeakPolarHBondContact CA-O 3.3Å; F38-V50 HydrophobicContact CD2-CB 4.1Å; F38-V50 HydrophobicContact CE1-CG1 4.16Å; F38-V50 HydrophobicContact CE2-CB 3.78Å; F38-V50 HydrophobicContact CE2-CG1 3.76Å; F38-V50 HydrophobicContact CE2-CG2 4.45Å; F38-V50 HydrophobicContact CZ-CB 4.05Å; F38-V50 HydrophobicContact CZ-CG1 3.56Å; F38-V50 PolarHBondContact N-O 3.17Å; F38-V50 PolarHBondContact O-N 3.17Å; F38-V50 VanDerWaalsContact O-O 3.1Å; V40-V50 HydrophobicContact CB-CG2 4.14Å; V40-V50 HydrophobicContact CG2-CB 4.24Å; V40-V50 HydrophobicContact CG2-CG2 3.57Å; I48-V50 HydrophobicContact CG2-CG2 4.45Å; I48-V50 PolarHBondContact O-N 3.45Å; V50-I62 HydrophobicContact CG1-CG2 3.35Å; V50-F64 HydrophobicContact CG2-CD1 3.7Å; V50-F64 HydrophobicContact CG2-CE1 3.76Å
51Q70.9Confident67.9Low48 Ų4870 Ų7022%0.22447%0.465CS..EExtended strand (participates in β ladder)trans-113121.5179.3-170.9165.2-61.100110.2P35 T36 T37 M63 L65P35-Q51 HydrophobicContact CB-CG 3.33Å; P35-Q51 HydrophobicContact CG-CG 4.31Å; T36-Q51 CarbonylContact O-C 3.59Å; T36-Q51 WeakPolarHBondContact O-CA 3.43Å; T37-Q51 PolarHBondContact OG1-OE1 3.48Å; Q51-M63 PolarHBondContact N-O 3.42Å; Q51-M63 PolarHBondContact O-N 3.49Å; Q51-L65 HydrophobicContact CB-CD1 3.59Å
52L65.6Low67.4Low51 Ų5168.2 Ų68.227%0.26746%0.459SS..EExtended strand (participates in β ladder)trans-88.7119.9172.7-143.963000108.6P35 T36 F38 I62P35-L52 CarbonylContact C-O 3.57Å; P35-L52 VanDerWaalsContact CA-O 3.23Å; P35-L52 WeakPolarHBondContact CA-O 3.47Å; T36-L52 PolarHBondContact N-O 2.98Å; T36-L52 PolarHBondContact O-N 2.91Å; F38-L52 HydrophobicContact CE1-CB 4.11Å; F38-L52 HydrophobicContact CE1-CD1 4.28Å; L52-I62 HydrophobicContact CD1-CB 4.48Å; L52-I62 HydrophobicContact CD1-CG1 3.53Å
53A61.2Low66.9Low28 Ų2872.1 Ų72.123%0.23147%0.474CS..EExtended strand (participates in β ladder)trans-124.5147.6175.600000110.3V61A53-V61 HydrophobicContact CB-CG2 4.02Å; A53-V61 PolarHBondContact N-O 3.13Å; A53-V61 VanDerWaalsContact O-CG2 3.23Å; A53-V61 WeakPolarHBondContact O-CG2 3.39Å; A53-V61 PolarHBondContact O-N 2.88Å
54T60.4Low66.6Low78 Ų7872 Ų7248%0.47946%0.456SS..EExtended strand (participates in β ladder)trans-83.8118.6170.248.50000108.8
55S59.8Low65.7Low45 Ų4569 Ų6932%0.31544%0.44SS..  trans-66.7157170.666.80000111G57 G58 G59S55-G57 PolarHBondContact O-N 3.07Å; S55-G58 PolarHBondContact O-N 3.18Å; S55-G59 WeakPolarHBondContact CB-O 3.42Å; S55-G59 PolarHBondContact N-O 3.12Å; S55-G59 WeakPolarHBondContact OG-CA 3.46Å; S55-G59 PolarHBondContact OG-N 3Å; S55-G59 VanDerWaalsContact OG-N 3.17Å; S55-G59 PolarHBondContact OG-O 3.28Å
56A61.6Low64.7Low120 Ų12072.9 Ų72.999%0.99246%0.457SS*.THydrogen-bonded Turntrans-58.5-16.7178.700000114.2
57G65.6Low63.7Low77 Ų7774.5 Ų74.579%0.79447%0.469SS*.THydrogen-bonded Turntrans-93.612.3174.300000114.9S55 G59S55-G57 PolarHBondContact O-N 3.07Å; G57-G59 VanDerWaalsContact C-N 3.26Å; G57-G59 PolarHBondContact O-N 3.34Å
58G63.1Low62.3Low67 Ų6773.9 Ų73.969%0.69148%0.479SS*.SBendtrans78.20.5-179.800000115.2S55S55-G58 PolarHBondContact O-N 3.18Å
59G55.6Low60.7Low34 Ų3475.4 Ų75.435%0.35150%0.5SS..  trans-83.2138.9174.700000112.2S55 G57S55-G59 WeakPolarHBondContact CB-O 3.42Å; S55-G59 PolarHBondContact N-O 3.12Å; S55-G59 WeakPolarHBondContact OG-CA 3.46Å; S55-G59 PolarHBondContact OG-N 3Å; S55-G59 VanDerWaalsContact OG-N 3.17Å; S55-G59 PolarHBondContact OG-O 3.28Å; G57-G59 VanDerWaalsContact C-N 3.26Å; G57-G59 PolarHBondContact O-N 3.34Å
60Q61.9Low58.8Low126 Ų12682.9 Ų82.959%0.58953%0.531SS*.EExtended strand (participates in β ladder)trans-74.4130.4171.7-56.8-70.324.700110
61V62.7Low56.8Low64 Ų6491.3 Ų91.339%0.38857%0.57SS.*EExtended strand (participates in β ladder)trans-116.7137174.3-67.40000110.5A53A53-V61 HydrophobicContact CB-CG2 4.02Å; A53-V61 PolarHBondContact N-O 3.13Å; A53-V61 VanDerWaalsContact O-CG2 3.23Å; A53-V61 WeakPolarHBondContact O-CG2 3.39Å; A53-V61 PolarHBondContact O-N 2.88Å
62I63.4Low54.8Low103 Ų10394.3 Ų94.353%0.52859%0.592SS.*EExtended strand (participates in β ladder)trans-97.7115.9177.5-62.6173.8000107.4V50 L52 F64V50-I62 HydrophobicContact CG1-CG2 3.35Å; L52-I62 HydrophobicContact CD1-CB 4.48Å; L52-I62 HydrophobicContact CD1-CG1 3.53Å; I62-F64 HydrophobicContact CG2-CD2 4.44Å; I62-F64 HydrophobicContact CG2-CE2 3.94Å; I62-F64 HydrophobicContact CG2-CZ 4.12Å
63M62.3Low53.3Low109 Ų10998.4 Ų98.454%0.53761%0.613SS.*EExtended strand (participates in β ladder)trans-108.1117.8175.5-167179.6-64.900109.8Q51Q51-M63 PolarHBondContact N-O 3.42Å; Q51-M63 PolarHBondContact O-N 3.49Å
64F68.5Low51.7Low136 Ų136106.7 Ų106.760%0.59664%0.64SS**EExtended strand (participates in β ladder)trans-80.2122.9172.5-66.3-87.6000109I48 V50 I62I48-F64 HydrophobicContact CG2-CD1 3.97Å; V50-F64 HydrophobicContact CG2-CD1 3.7Å; V50-F64 HydrophobicContact CG2-CE1 3.76Å; I62-F64 HydrophobicContact CG2-CD2 4.44Å; I62-F64 HydrophobicContact CG2-CE2 3.94Å; I62-F64 HydrophobicContact CG2-CZ 4.12Å
65L63.5Low50.5Low64 Ų64108.7 Ų108.734%0.33565%0.652SS.*  trans-84.4128.5174.8-83.975.9000108.9P49 Q51 S67P49-L65 HydrophobicContact CG-CB 4.11Å; P49-L65 PolarHBondContact O-N 2.93Å; P49-L65 VanDerWaalsContact O-N 3.11Å; Q51-L65 HydrophobicContact CB-CD1 3.59Å; L65-S67 PolarHBondContact O-N 3.46Å; L65-S67 VanDerWaalsContact O-N 3.09Å
66P52.2Low49Very low122 Ų122111.9 Ų111.979%0.79267%0.669SS**  trans-63.9115.6173.825.2-31.1000109.1A68P66-A68 VanDerWaalsContact C-N 3.33Å; P66-A68 PolarHBondContact O-N 3.02Å
67S53.6Low47.3Very low89 Ų89113.9 Ų113.962%0.62266%0.658SS**  trans-70.188177.2-1770000109.7L65 A69L65-S67 PolarHBondContact O-N 3.46Å; L65-S67 VanDerWaalsContact O-N 3.09Å; S67-A69 PolarHBondContact O-N 3.1Å
68A41.8Very low45.7Very low93 Ų93115.9 Ų115.977%0.76966%0.658SS**  trans-80.7104.5169.300000109P66P66-A68 VanDerWaalsContact C-N 3.33Å; P66-A68 PolarHBondContact O-N 3.02Å
69A36.8Very low44.2Very low87 Ų87119.7 Ų119.772%0.71966%0.661SS**SBendtrans64.113316500000117.6S67 Q71S67-A69 PolarHBondContact O-N 3.1Å; A69-Q71 PolarHBondContact O-N 3.43Å
70Q31.8Very low42.9Very low199 Ų199124.9 Ų124.993%0.9369%0.685SS**  trans-29.2101.8160.5-70.5168.738.600113.1
71Q30.5Very low41.5Very low177 Ų177124 Ų12483%0.82769%0.693SS**  trans-142.7118.2141.5-76-152.385.700107.7A69 I73A69-Q71 PolarHBondContact O-N 3.43Å; Q71-I73 PolarHBondContact O-N 3.47Å
72T28.7Very low39.9Very low112 Ų112126.1 Ų126.169%0.68772%0.717SS**  trans-53.5103.1166.9-55.90000108.8Y74T72-Y74 VanDerWaalsContact C-N 3.26Å; T72-Y74 HydrophobicContact CG2-CD2 3.33Å; T72-Y74 HydrophobicContact CG2-CE2 3.24Å; T72-Y74 HydrophobicContact CG2-CG 4.17Å; T72-Y74 PolarHBondContact O-N 3.47Å
73I33.3Very low38.5Very low136 Ų136125.9 Ų125.970%0.69773%0.73SS**  trans-78.783.9171.6-58.7-171.5000107.5Q71 T75Q71-I73 PolarHBondContact O-N 3.47Å; I73-T75 HydrophobicContact CG2-CG2 3.36Å
74Y28.5Very low36.9Very low203 Ų203127 Ų12780%0.79674%0.744SS**  trans-86.286.6147.6-67.5-66.6000106.6T72 T76T72-Y74 VanDerWaalsContact C-N 3.26Å; T72-Y74 HydrophobicContact CG2-CD2 3.33Å; T72-Y74 HydrophobicContact CG2-CE2 3.24Å; T72-Y74 HydrophobicContact CG2-CG 4.17Å; T72-Y74 PolarHBondContact O-N 3.47Å; Y74-T76 PolarHBondContact O-N 3.37Å
75T35Very low35.4Very low120 Ų120127.2 Ų127.274%0.73676%0.756SS**  trans-90.985.3165.558.60000108.3I73I73-T75 HydrophobicContact CG2-CG2 3.36Å
76T27.7Very low34Very low111 Ų111129.2 Ų129.268%0.68178%0.776SS**  trans-80.2106.7151.249.80000106.9Y74Y74-T76 PolarHBondContact O-N 3.37Å
77Q27.4Very low33.5Very low162 Ų162132.1 Ų132.176%0.75778%0.783SS**  trans-156.9130.6151.8-65.5-52.1-5.300109.1
78P30.6Very low32.4Very low120 Ų120135.2 Ų135.278%0.77979%0.793SS**  trans-107.5121.4130.930.1-27.6000108.5V80P78-V80 PolarHBondContact O-N 3.37Å
79I32.4Very low32.3Very low147 Ų147135.6 Ų135.675%0.75480%0.796SS**  trans-55.7125.3169.1-73.2165.2000108.5S81I79-S81 PolarHBondContact O-N 3.14Å
80V28.6Very low32.1Very low143 Ų143138 Ų13887%0.86780%0.797SS**  trans-77105.8165.1-74.90000108.2P78P78-V80 PolarHBondContact O-N 3.37Å
81S32.1Very low32.3Very low107 Ų107136.1 Ų136.175%0.74879%0.792SS**  trans-125.398.1163.3-76.20000108.3I79 A83I79-S81 PolarHBondContact O-N 3.14Å; S81-A83 PolarHBondContact O-N 3.42Å
82A29.3Very low32.6Very low108 Ų108132.3 Ų132.389%0.89378%0.782SS**  trans-71.6116.716700000108.8
83A34.3Very low32.8Very low98 Ų98132.6 Ų132.681%0.8179%0.788SS**  trans-154.3116.4151.900000108.5S81S81-A83 PolarHBondContact O-N 3.42Å
84T29Very low33Very low134 Ų134131.3 Ų131.382%0.82280%0.797SS**  trans-56.2130.3175.7490000112.4
85T35.9Very low33.2Very low139 Ų139131.4 Ų131.485%0.85381%0.805SS**  -169.6117.713020.10000109.9
86S34.9Very low33Very low107 Ų107129.2 Ų129.275%0.74881%0.806SS**  trans-43.8140163.748.10000113.4
87L40.8Very low33.3Very low183 Ų183133.2 Ų133.296%0.95882%0.817SS**  trans-164.6128134.7-89.3-180000108.5
88D30.1Very low33.4Very low153 Ų153132.6 Ų132.682%0.81882%0.817SS**  trans-94.8138.4-174.1170.721.9000110.7
89A41.6Very low33.7Very low102 Ų102134.9 Ų134.984%0.84382%0.822SS**  trans-169.5114.6151.900000112
90N31.5Very low33.5Very low137 Ų137131.1 Ų131.173%0.73382%0.819SS**  trans-86.1137.1174.8172.829.1000112
91L36.3Very low33.9Very low159 Ų159130.8 Ų130.883%0.83282%0.817SS**  trans-159.596.8157.1-147.656.8000114.9
92T36.8Very low33.9Very low98 Ų98131.9 Ų131.960%0.60182%0.819SS**  trans36.2116.3131.957.40000124.2
93S33.6Very low34.4Very low118 Ų118133.3 Ų133.383%0.82582%0.817SS**  44.7128.8124.367.90000124
94A36.9Very low34.5Very low108 Ų108137.5 Ų137.589%0.89382%0.82SS**  trans-156.1147.5144.100000112.5
95Q32.6Very low34.9Very low206 Ų206138.6 Ų138.696%0.96382%0.82SS**  trans-92.2168.9-160.5-62.3164.6-59.500116.5
96G31.5Very low35Very low73 Ų73140 Ų14075%0.75382%0.817SS**  trans156.190.2150.500000114
97Q34.2Very low35Very low196 Ų196140.5 Ų140.592%0.91682%0.816SS**  86.1152.289.2-121.2-159.582.700116.7
98I29Very low35Very low148 Ų148139.8 Ų139.876%0.75981%0.808SS**  trans-122.1143-144.2-35.2174.4000110
99I35.4Very low35.1Very low169 Ų169140 Ų14087%0.86781%0.807SS**  trans-147.6129153.4-57.5-177.6000109.7
100G30.1Very low35Very low67 Ų67142.1 Ų142.169%0.69180%0.804SS**  trans-124.1148.5166.700000111
101T36.2Very low35.1Very low137 Ų137144.1 Ų144.184%0.8481%0.808SS**  trans-146.5138.716349.80000109.9
102T30.9Very low34.9Very low129 Ų129144.5 Ų144.579%0.79181%0.806SS**  trans-65.8149.7-177.951.20000114.1
103V40.3Very low34.8Very low138 Ų138147.4 Ų147.484%0.83682%0.817SS**  175.6144.7116.2178.90000107.7
104E36Very low35.1Very low186 Ų186149.2 Ų149.287%0.86981%0.812SS**  trans-70.7131.6-166-38.7-164.8143.300113.6
105D39.3Very low34.9Very low157 Ų157152.6 Ų152.684%0.8481%0.81SS**  -178161.7124.4-129.9-26.7000110.2
106E36.4Very low35.1Very low168 Ų168148.7 Ų148.779%0.78581%0.805SS**SBendtrans-50.3153.2-164.5-54.3-153.5114.500117.9
107T36.6Very low35.1Very low118 Ų118149.7 Ų149.772%0.72480%0.801SS**  trans83.7126.2167.370.90000118.4
108H38.9Very low35.2Very low169 Ų169148.7 Ų148.778%0.78280%0.796SS**  trans104.8143.8158-60.1-61.4000119.6
109I33.9Very low35.2Very low157 Ų157148.2 Ų148.281%0.80580%0.8SS**  trans90.397.6159.4-60.2161.9000114.7
110L37.5Very low35.2Very low147 Ų147147.8 Ų147.877%0.7779%0.794SS**  76.2107.878.4-171.669.7000113.1
111Q33.9Very low35.2Very low179 Ų179150.2 Ų150.284%0.83680%0.795SS**  trans45.9103.9135.3-161.91167700119.3
112Q32.2Very low35.1Very low167 Ų167149.6 Ų149.678%0.7879%0.785SS**  trans-164.5114.7140.7-164.5169.3500112.8
113L35.6Very low35.2Very low158 Ų158151.9 Ų151.983%0.82779%0.787SS**  trans167.891142.1-127.166.3000106.3
114Q39.5Very low35.2Very low157 Ų157153.2 Ų153.273%0.73478%0.784SS**  498474.6-142.2166.33300111
115Q33.7Very low35.2Very low179 Ų179149.9 Ų149.984%0.83678%0.776SS**  55.399.3107.8-80.3-174.921.600113.6
116S35.3Very low35.2Very low123 Ų123151.6 Ų151.686%0.8678%0.779SS**  trans-110.1117.5145.348.40000108.7
117S31.8Very low35.2Very low95 Ų95149.4 Ų149.466%0.66478%0.782SS**  trans-61.4166.8169.4-48.30000111.3
118Q36.7Very low35.2Very low175 Ų175147 Ų14782%0.81878%0.781SS**  trans156.186.6133-73.3-56.6300107.3
119V29.8Very low35Very low138 Ų138146.7 Ų146.784%0.83679%0.785SS**  trans-84.9104.9159.2171.20000105.8V121V119-V121 HydrophobicContact CG1-CG2 4.19Å
120Q34.2Very low35.4Very low160 Ų160144.2 Ų144.275%0.74878%0.781SS**  trans-96.5106.2175-170.2169.13500108.4I122Q120-I122 HydrophobicContact CG-CD1 3.75Å; Q120-I122 HydrophobicContact CG-CG1 3.82Å
121V30.8Very low35.6Very low118 Ų118145.9 Ų145.972%0.71579%0.785SS**  trans-94.1104.6164.8178.90000106.5V119V119-V121 HydrophobicContact CG1-CG2 4.19Å
122I34.1Very low35.8Very low124 Ų124141 Ų14164%0.63678%0.776SS**  trans-100.7111.5168.7-75163.1000107.9Q120Q120-I122 HydrophobicContact CG-CD1 3.75Å; Q120-I122 HydrophobicContact CG-CG1 3.82Å
123H33.5Very low36.1Very low176 Ų176139.4 Ų139.482%0.81578%0.777SS**  trans-84.3112.7149.2-80.6122.9000107.7
124Q39.2Very low36.5Very low166 Ų166136.8 Ų136.878%0.77677%0.772SS**  trans-174.1119.6139.9-118.5174.972.100112.1
125T36.2Very low36.7Very low116 Ų116136.2 Ų136.271%0.71277%0.774SS**  trans52.198.7136.854.80000119.7
126Q38.8Very low37.1Very low194 Ų194133.6 Ų133.691%0.90777%0.77SS**  28.3103.8122-165.5177.180.400116.9
127S35.9Very low37.4Very low121 Ų121136.3 Ų136.385%0.84677%0.769SS**  160.3141.4123.659.30000110.9
128G36.8Very low37.8Very low68 Ų68137.9 Ų137.970%0.70178%0.775SS**  trans106.681.3145.800000119.5
129L35.7Very low38.3Very low163 Ų163134.9 Ų134.985%0.85377%0.768SS**  68.3122.8126.4-61.1166.2000121.8
130S42.6Very low38.9Very low105 Ų105136.4 Ų136.473%0.73477%0.766SS**  trans72138.8137.4-56.90000117.1
131Q41.1Very low39.6Very low181 Ų181135.2 Ų135.285%0.84677%0.769SS**  cis-163.3129.725.6-115.4160.77.500105.1
132A38.4Very low40.5Very low78 Ų78134.5 Ų134.565%0.64577%0.769SS**  67.711083.300000116.2
133V37.9Very low41.7Very low133 Ų133134.1 Ų134.181%0.80678%0.778SS**  trans65.2134.9137.6-54.60000121.7
134S44.9Very low42.3Very low103 Ų103131.5 Ų131.572%0.7278%0.776SS**  trans159.497.9133.2-67.30000109.5
135N42.9Very low42.8Very low145 Ų145132.2 Ų132.278%0.77578%0.779SS**  82.5109.792.5-71.1-5.3000115.2
136T41.7Very low43.3Very low123 Ų123130.8 Ų130.876%0.75577%0.773SS**  trans22.6117.7130.5-42.90000117.9V138T136-V138 HydrophobicContact CG2-CG1 4.47Å
137Q43Very low43.5Very low181 Ų181130.3 Ų130.385%0.84677%0.77SS**  trans-130.3105.7153.3-154.1178.47200109.6V139Q137-V139 HydrophobicContact CG-CG2 4.19Å
138V39.3Very low44.2Very low128 Ų128131.7 Ų131.778%0.77677%0.774SS**  trans-83.2127.7161.7-73.40000107.2T136T136-V138 HydrophobicContact CG2-CG1 4.47Å
139V47.7Very low44.7Very low112 Ų112132.3 Ų132.368%0.67977%0.772SS**  trans-117.6102.6171175.90000107.7Q137Q137-V139 HydrophobicContact CG-CG2 4.19Å
140Q43.1Very low45.3Very low170 Ų170133.1 Ų133.179%0.79478%0.775SS**  trans-89.8124.7172.4179.2-178.9-69.100107.8
141V48.7Very low45.5Very low135 Ų135131.2 Ų131.282%0.81877%0.773SS**  trans-113.3115.8169-89.90000108.7
142S49.9Very low46.1Very low102 Ų102132.3 Ų132.371%0.71378%0.778SS**  trans-95.6136.1175.8-560000109.8
143S59Low46.3Very low117 Ų117138.1 Ų138.182%0.81879%0.792SS**  trans-129.7136.615932.20000108.9
144P45.7Very low46.6Very low120 Ų120135.3 Ų135.378%0.77979%0.789SS**  trans-99.7177.1-174.238.3-33.2000113.5
145Q49.5Very low46.6Very low181 Ų181138.9 Ų138.985%0.84680%0.797SS**  trans103.6153152.7-103.3-165.2-54.200119.6
146P46.7Very low46.6Very low87 Ų87136.4 Ų136.457%0.56579%0.791SS**  -133.4160.2-98.647.5-30.9000115.2
147E43.5Very low47Very low184 Ų184136.9 Ų136.986%0.8679%0.794SS**  trans36.8117.1149.116-175.8173.900122.3
148T49.2Very low47.2Very low150 Ų150137.1 Ų137.192%0.9280%0.795SS**  trans-140.5136.1142.4-40.80000110
149A48.1Very low47.6Very low81 Ų81135.6 Ų135.667%0.66980%0.796SS**  trans-86.9179-167.700000115.7
150I47.4Very low47.6Very low179 Ų179135.2 Ų135.292%0.91880%0.798SS**  trans89.2126.4163-50.3162000113.5
151G46.8Very low47.7Very low66 Ų66132.9 Ų132.968%0.6880%0.801SS**  cis168.3166.33.600000110.2
152Q53.9Low47.8Very low204 Ų204132 Ų13295%0.95380%0.796SS**  trans88.7126.9161.1-62.2-176.421.100121.2
153Q44.3Very low48Very low199 Ų199135.5 Ų135.593%0.9381%0.805SS**  trans-85.4156.8177.1-60.8169.8-1.200110.8
154G42.9Very low47.6Very low74 Ų74135 Ų13576%0.76380%0.801SS**  trans174.596.8165.300000116
155M45.8Very low47.9Very low179 Ų179134.7 Ų134.788%0.88280%0.799SS**  trans47.3116.7145-111.882.690.500123.3
156S42.9Very low47.7Very low93 Ų93129.6 Ų129.665%0.6580%0.796SS**  trans21.2128.4132.763.10000122.1
157T49.2Very low47.7Very low133 Ų133133.8 Ų133.882%0.81681%0.812SS**  163.3108.9121.635.80000109.1
158Q48.6Very low47.6Very low186 Ų186129.4 Ų129.487%0.86980%0.798SS**  66.7116.4102.8-156.7173.770.700115.8
159A47.3Very low47.4Very low96 Ų96129.1 Ų129.179%0.79380%0.799SS**  trans67.8103.7156.900000119.1
160S47.4Very low47.4Very low104 Ų104129.2 Ų129.273%0.72781%0.808SS**  167.4120.9107.8-158.80000109.6T162S160-T162 PolarHBondContact O-N 3.32Å; S160-T162 VanDerWaalsContact O-N 3.07Å
161S45.1Very low47.2Very low121 Ų121122.6 Ų122.685%0.84678%0.783SS**  trans-71.494173.2490000110.1
162T51.5Low47.7Very low117 Ų117125.1 Ų125.172%0.71878%0.778SS**  trans-123.2101.6160.927.70000108.6S160 S164S160-T162 PolarHBondContact O-N 3.32Å; S160-T162 VanDerWaalsContact O-N 3.07Å; T162-S164 PolarHBondContact O-N 2.8Å
163I53.5Low47.8Very low175 Ų175123.6 Ų123.690%0.89777%0.77SS**  trans-42.599.7168.516173.4000111
164S50.3Low49.1Very low106 Ų106119.1 Ų119.174%0.74176%0.758SS**  trans-69.3129.4163.3-73.60000109.4T162 G166T162-S164 PolarHBondContact O-N 2.8Å; S164-G166 PolarHBondContact O-N 3.18Å; S164-G166 VanDerWaalsContact O-N 3.16Å
165P53Low50.6Low113 Ų113121.6 Ų121.673%0.73475%0.753SS**  trans-69113.6167.8-4.720.4000107.7L167P165-L167 PolarHBondContact O-N 3.45Å
166G45.1Very low52.6Low75 Ų75123.9 Ų123.977%0.77375%0.754SS**  trans-55.8105177.900000111.6S164 T168S164-G166 PolarHBondContact O-N 3.18Å; S164-G166 VanDerWaalsContact O-N 3.16Å; G166-T168 PolarHBondContact O-N 3.02Å
167L45.3Very low54.9Low174 Ų174121.5 Ų121.591%0.91174%0.735SS**  trans-84.486.6167.5-80.3147.4000107.9P165P165-L167 PolarHBondContact O-N 3.45Å
168T42.1Very low57.1Low93 Ų93119.3 Ų119.357%0.57172%0.719SS**  trans-107.4125.8161.754.10000108.4G166 G170 G171G166-T168 PolarHBondContact O-N 3.02Å; T168-G170 VanDerWaalsContact C-N 3.33Å; T168-G170 PolarHBondContact O-N 3.12Å; T168-G171 PolarHBondContact OG1-O 2.99Å
169P44Very low59.1Low144 Ų144114.7 Ų114.794%0.93571%0.712SS**THydrogen-bonded Turntrans-77.686-177.431.8-30.8000108.4
170G48.5Very low61.4Low83 Ų83119.4 Ų119.486%0.85672%0.715SS**THydrogen-bonded Turntrans140.61.1170.800000118.2T168T168-G170 VanDerWaalsContact C-N 3.33Å; T168-G170 PolarHBondContact O-N 3.12Å
171G44.4Very low63.7Low39 Ų39118.4 Ų118.440%0.40270%0.698SS.*  trans-164.687-176.300000114.3T168 E173T168-G171 PolarHBondContact OG1-O 2.99Å; G171-E173 PolarHBondContact O-N 3.38Å
172E56.1Low66Low120 Ų120117.1 Ų117.156%0.56168%0.676SS**  trans-56.6109159.7-172177.3-173.500106.6R189E172-R189 IonicContact OE1-CZ 3.37Å; E172-R189 IonicContact OE1-NE 3.91Å; E172-R189 PolarHBondContact OE1-NE 3.48Å; E172-R189 IonicContact OE1-NH1 3.26Å; E172-R189 PolarHBondContact OE1-NH1 2.96Å; E172-R189 IonicContact OE1-NH2 2.88Å; E172-R189 PolarHBondContact OE1-NH2 3.25Å; E172-R189 VanDerWaalsContact OE2-CD 3.3Å; E172-R189 WeakPolarHBondContact OE2-CD 3.34Å; E172-R189 IonicContact OE2-NE 2.9Å
173E57Low68.1Low172 Ų172118.2 Ų118.280%0.80467%0.672SS**  trans-48.2135.1175.7-85-177.5138.700108.7G171 L175G171-E173 PolarHBondContact O-N 3.38Å; E173-L175 PolarHBondContact O-N 2.99Å
174P70.8Confident70.1Confident104 Ų104116 Ų11668%0.67565%0.653SS**  trans-67.988.9179.127.5-32.4000108.9Y176P174-Y176 PolarHBondContact O-N 3.33Å
175L74Confident72.2Confident126 Ų126112.8 Ų112.866%0.6663%0.627SS**  trans-54.8123.6163.7-178.965000106.6E173 V177E173-L175 PolarHBondContact O-N 2.99Å; L175-V177 HydrophobicContact CG-CG1 4.44Å; L175-V177 WeakPolarHBondContact O-CG1 3.45Å; L175-V177 PolarHBondContact O-N 3.47Å
176Y89.4Confident74.1Confident227 Ų227110.3 Ų110.389%0.8961%0.607SS**  trans-60.8105.1178.8-177.6-102.4000109.2P174P174-Y176 PolarHBondContact O-N 3.33Å
177V91.3Very high76.6Confident43 Ų43114.1 Ų114.126%0.26160%0.602SS.*  trans-116.4169.3177.6-66.10000109.4L175 A179 Y182 I185L175-V177 HydrophobicContact CG-CG1 4.44Å; L175-V177 WeakPolarHBondContact O-CG1 3.45Å; L175-V177 PolarHBondContact O-N 3.47Å; V177-A179 PolarHBondContact O-N 2.98Å; V177-Y182 HydrophobicContact CG2-CD2 3.77Å; V177-Y182 HydrophobicContact CG2-CG 4.43Å; V177-I185 HydrophobicContact CB-CD1 4.2Å; V177-I185 HydrophobicContact CG1-CD1 4.27Å; V177-I185 HydrophobicContact CG2-CD1 4.18Å
178N93.4Very high79Confident88 Ų88113 Ų11347%0.47159%0.586SS.*  trans-58.2126.6175.2-173-41.6000111.2K180 Q181 Y182N178-K180 PolarHBondContact O-N 3.04Å; N178-K180 VanDerWaalsContact O-N 3.13Å; N178-K180 WeakPolarHBondContact OD1-CB 3.33Å; N178-K180 PolarHBondContact OD1-N 2.97Å; N178-Q181 HydrophobicContact CB-CG 4.22Å; N178-Q181 PolarHBondContact O-N 2.94Å; N178-Y182 PolarHBondContact O-N 3.27Å
179A91Very high81.5Confident88 Ų88113.1 Ų113.173%0.72758%0.576SS**THydrogen-bonded Turntrans-52.4-36.4-179.700000113.3V177 Q181V177-A179 PolarHBondContact O-N 2.98Å; A179-Q181 PolarHBondContact O-N 3.28Å
180K95.5Very high84Confident196 Ų196112.3 Ų112.385%0.85256%0.56SS**THydrogen-bonded Turntrans-67.4-18.5178.9-64.7-172.9175-177.10113.5N178N178-K180 PolarHBondContact O-N 3.04Å; N178-K180 VanDerWaalsContact O-N 3.13Å; N178-K180 WeakPolarHBondContact OD1-CB 3.33Å; N178-K180 PolarHBondContact OD1-N 2.97Å
181Q96.2Very high86.2Confident82 Ų82110.8 Ų110.838%0.38354%0.539SS..THydrogen-bonded Turntrans-110.4-22.5-170.5-57.7-171.56.500114N178 A179 H183 R184 I185N178-Q181 HydrophobicContact CB-CG 4.22Å; N178-Q181 PolarHBondContact O-N 2.94Å; A179-Q181 PolarHBondContact O-N 3.28Å; Q181-H183 PolarHBondContact O-N 3.33Å; Q181-R184 PolarHBondContact O-N 3.08Å; Q181-I185 HydrophobicContact CB-CD1 3.91Å; Q181-I185 HydrophobicContact CB-CG1 4.28Å; Q181-I185 PolarHBondContact O-N 2.95Å
182Y94Very high88.6Confident94 Ų94114.7 Ų114.737%0.36954%0.542SS..Hα-helixtrans-43.7-59.5-170.6177.7-106.6000113.9V177 N178 R184 I185 L186V177-Y182 HydrophobicContact CG2-CD2 3.77Å; V177-Y182 HydrophobicContact CG2-CG 4.43Å; N178-Y182 PolarHBondContact O-N 3.27Å; Y182-R184 VanDerWaalsContact C-N 3.28Å; Y182-R184 PolarHBondContact O-N 3.42Å; Y182-I185 WeakPolarHBondContact O-CB 3.36Å; Y182-I185 PolarHBondContact O-N 3.06Å; Y182-I185 VanDerWaalsContact O-N 3.12Å; Y182-L186 HydrophobicContact CD1-CD1 4.34Å; Y182-L186 HydrophobicContact CE1-CD1 3.73Å; Y182-L186 HydrophobicContact CE2-CD1 4.37Å; Y182-L186 PolarHBondContact O-N 3.42Å; Y182-L186 VanDerWaalsContact O-N 3.13Å
183H94.4Very high90.4Very high140 Ų140111.6 Ų111.665%0.64854%0.536SS*.Hα-helixtrans-59.1-37.4-179.3-62.8106.5000113.5Q181 L186 K187Q181-H183 PolarHBondContact O-N 3.33Å; H183-L186 PolarHBondContact O-N 2.99Å; H183-K187 PolarHBondContact O-N 2.82Å
184R96.6Very high92.2Very high128 Ų128110.3 Ų110.348%0.48353%0.528SS..Hα-helixtrans-73.8-34-179.8-167.4178.666-156.9-0.7111.6Q181 Y182 K187 R188Q181-R184 PolarHBondContact O-N 3.08Å; Y182-R184 VanDerWaalsContact C-N 3.28Å; Y182-R184 PolarHBondContact O-N 3.42Å; R184-K187 PolarHBondContact O-N 3.47Å; R184-R188 WeakPolarHBondContact O-CB 3.35Å; R184-R188 WeakPolarHBondContact O-CG 3.46Å; R184-R188 PolarHBondContact O-N 3.17Å
185I94.9Very high93.2Very high40 Ų40108.9 Ų108.921%0.20551%0.514CS..Hα-helixtrans-60.5-48.2173.1-69167.6000109.4V177 Q181 Y182 K187 R188 R189V177-I185 HydrophobicContact CB-CD1 4.2Å; V177-I185 HydrophobicContact CG1-CD1 4.27Å; V177-I185 HydrophobicContact CG2-CD1 4.18Å; Q181-I185 HydrophobicContact CB-CD1 3.91Å; Q181-I185 HydrophobicContact CB-CG1 4.28Å; Q181-I185 PolarHBondContact O-N 2.95Å; Y182-I185 WeakPolarHBondContact O-CB 3.36Å; Y182-I185 PolarHBondContact O-N 3.06Å; Y182-I185 VanDerWaalsContact O-N 3.12Å; I185-K187 PolarHBondContact O-N 3Å; I185-R188 PolarHBondContact O-N 3.22Å; I185-R188 VanDerWaalsContact O-N 3.17Å; I185-R189 HydrophobicContact CG2-CG 4.29Å; I185-R189 VanDerWaalsContact CG2-NE 3.31Å; I185-R189 WeakPolarHBondContact O-CG 3.41Å; I185-R189 PolarHBondContact O-N 3.16Å
186L93Very high94.1Very high60 Ų60108.5 Ų108.531%0.31451%0.509SS..Hα-helixtrans-56.8-49.9177.6-66179.7000112Y182 H183 R188 R189 Q190Y182-L186 HydrophobicContact CD1-CD1 4.34Å; Y182-L186 HydrophobicContact CE1-CD1 3.73Å; Y182-L186 HydrophobicContact CE2-CD1 4.37Å; Y182-L186 PolarHBondContact O-N 3.42Å; Y182-L186 VanDerWaalsContact O-N 3.13Å; H183-L186 PolarHBondContact O-N 2.99Å; L186-R188 VanDerWaalsContact C-N 3.32Å; L186-R188 PolarHBondContact O-N 3.32Å; L186-R189 PolarHBondContact O-N 3.14Å; L186-Q190 PolarHBondContact O-N 2.84Å
187K96.2Very high94.1Very high155 Ų155102 Ų10267%0.67450%0.503SS*.Hα-helixtrans-57.3-43176.2-71.6-175.9176.8-174.20112.5H183 R184 I185 Q190 A191H183-K187 PolarHBondContact O-N 2.82Å; R184-K187 PolarHBondContact O-N 3.47Å; I185-K187 PolarHBondContact O-N 3Å; K187-Q190 PolarHBondContact O-N 2.8Å; K187-A191 PolarHBondContact O-N 3Å
188R97.1Very high94.1Very high152 Ų152106.2 Ų106.257%0.57452%0.519SS*.Hα-helixtrans-70.2-33.1178.5-73.6-179.9179.1-167.2-1.2113R184 I185 L186 A191 R192R184-R188 WeakPolarHBondContact O-CB 3.35Å; R184-R188 WeakPolarHBondContact O-CG 3.46Å; R184-R188 PolarHBondContact O-N 3.17Å; I185-R188 PolarHBondContact O-N 3.22Å; I185-R188 VanDerWaalsContact O-N 3.17Å; L186-R188 VanDerWaalsContact C-N 3.32Å; L186-R188 PolarHBondContact O-N 3.32Å; R188-A191 PolarHBondContact O-N 2.71Å; R188-R192 WeakPolarHBondContact O-CB 3.24Å; R188-R192 WeakPolarHBondContact O-CG 3.44Å; R188-R192 PolarHBondContact O-N 3.12Å
189R94.8Very high93.9Very high95 Ų95104.8 Ų104.836%0.35853%0.525SS..Hα-helixtrans-62.8-48.1173.3-74.3176.3-174.4-86.62.6110.3E172 I185 L186 A191 R192 A193E172-R189 IonicContact OE1-CZ 3.37Å; E172-R189 IonicContact OE1-NE 3.91Å; E172-R189 PolarHBondContact OE1-NE 3.48Å; E172-R189 IonicContact OE1-NH1 3.26Å; E172-R189 PolarHBondContact OE1-NH1 2.96Å; E172-R189 IonicContact OE1-NH2 2.88Å; E172-R189 PolarHBondContact OE1-NH2 3.25Å; E172-R189 VanDerWaalsContact OE2-CD 3.3Å; E172-R189 WeakPolarHBondContact OE2-CD 3.34Å; E172-R189 IonicContact OE2-NE 2.9Å; I185-R189 HydrophobicContact CG2-CG 4.29Å; I185-R189 VanDerWaalsContact CG2-NE 3.31Å; I185-R189 WeakPolarHBondContact O-CG 3.41Å; I185-R189 PolarHBondContact O-N 3.16Å; L186-R189 PolarHBondContact O-N 3.14Å; R189-A191 VanDerWaalsContact C-N 3.35Å; R189-A191 PolarHBondContact O-N 3.04Å; R189-R192 PolarHBondContact O-N 3.28Å; R189-A193 WeakPolarHBondContact O-CB 3.14Å; R189-A193 PolarHBondContact O-N 3.49Å
190Q95.1Very high93.7Very high127 Ų127109.9 Ų109.959%0.59353%0.526SS*.Hα-helixtrans-59.2-43.9174.9-67.8175.8-1700112.2L186 K187 A193 K194L186-Q190 PolarHBondContact O-N 2.84Å; K187-Q190 PolarHBondContact O-N 2.8Å; Q190-A193 PolarHBondContact O-N 2.95Å; Q190-K194 WeakPolarHBondContact O-CG 3.23Å; Q190-K194 PolarHBondContact O-N 3.5Å; Q190-K194 VanDerWaalsContact O-N 3.1Å
191A95.2Very high93.2Very high50 Ų50104.3 Ų104.341%0.41350%0.504SS..Hα-helixtrans-63.9-42.3177.600000112.8K187 R188 R189 K194 L195K187-A191 PolarHBondContact O-N 3Å; R188-A191 PolarHBondContact O-N 2.71Å; R189-A191 VanDerWaalsContact C-N 3.35Å; R189-A191 PolarHBondContact O-N 3.04Å; A191-K194 PolarHBondContact O-N 2.95Å; A191-L195 PolarHBondContact O-N 2.82Å; A191-L195 VanDerWaalsContact O-N 3.14Å
192R95.5Very high92.8Very high122 Ų122105.2 Ų105.246%0.4652%0.517SS..Hα-helixtrans-64.8-45.3174.8-78.4-175.5-70.5162.2-1.1111.9R188 R189 K194 L195 E196R188-R192 WeakPolarHBondContact O-CB 3.24Å; R188-R192 WeakPolarHBondContact O-CG 3.44Å; R188-R192 PolarHBondContact O-N 3.12Å; R189-R192 PolarHBondContact O-N 3.28Å; R192-K194 PolarHBondContact O-N 2.74Å; R192-L195 CarbonylContact O-C 3.58Å; R192-L195 PolarHBondContact O-N 2.8Å; R192-E196 WeakPolarHBondContact O-CB 3.16Å; R192-E196 WeakPolarHBondContact O-CG 3.33Å; R192-E196 PolarHBondContact O-N 2.94Å
193A93.1Very high92.5Very high54 Ų54111 Ų11145%0.44655%0.545SS..Hα-helixtrans-56-40.1176.900000111.9R189 Q190 A197R189-A193 WeakPolarHBondContact O-CB 3.14Å; R189-A193 PolarHBondContact O-N 3.49Å; Q190-A193 PolarHBondContact O-N 2.95Å; A193-A197 WeakPolarHBondContact O-CB 3.4Å; A193-A197 PolarHBondContact O-N 3.45Å
194K94.1Very high92.4Very high146 Ų146112.5 Ų112.564%0.63555%0.552SS**Hα-helixtrans-63.3-44.5173.2-70.1176.7-178.7-174.70112.7Q190 A191 R192 A197 Q198Q190-K194 WeakPolarHBondContact O-CG 3.23Å; Q190-K194 PolarHBondContact O-N 3.5Å; Q190-K194 VanDerWaalsContact O-N 3.1Å; A191-K194 PolarHBondContact O-N 2.95Å; R192-K194 PolarHBondContact O-N 2.74Å; K194-A197 PolarHBondContact O-N 3.21Å; K194-Q198 WeakPolarHBondContact O-CG 3.43Å; K194-Q198 PolarHBondContact O-N 3.37Å; K194-Q198 VanDerWaalsContact O-N 3.12Å
195L93.1Very high92.3Very high74 Ų74118 Ų11839%0.38757%0.573SS.*Hα-helixtrans-69.5-33.7178.6-71.3174.4000113.1A191 R192 Q198 G199 R200 I201A191-L195 PolarHBondContact O-N 2.82Å; A191-L195 VanDerWaalsContact O-N 3.14Å; R192-L195 CarbonylContact O-C 3.58Å; R192-L195 PolarHBondContact O-N 2.8Å; L195-Q198 PolarHBondContact O-N 2.83Å; L195-G199 PolarHBondContact O-N 2.79Å; L195-R200 HydrophobicContact CD2-CB 4.26Å; L195-R200 PolarHBondContact O-N 2.94Å; L195-I201 HydrophobicContact CB-CD1 3.88Å; L195-I201 HydrophobicContact CB-CG1 4.19Å; L195-I201 HydrophobicContact CD1-CD1 4.42Å
196E91.9Very high92.3Very high118 Ų118124.9 Ų124.955%0.55160%0.596SS**Hα-helixtrans-68.3-43174.4-72.3170.6-165.100111R192 Q198 G199 I201R192-E196 WeakPolarHBondContact O-CB 3.16Å; R192-E196 WeakPolarHBondContact O-CG 3.33Å; R192-E196 PolarHBondContact O-N 2.94Å; E196-Q198 VanDerWaalsContact C-N 3.27Å; E196-Q198 PolarHBondContact O-N 3.12Å; E196-G199 PolarHBondContact O-N 3.17Å; E196-I201 HydrophobicContact CG-CD1 4.23Å
197A89.9Confident92.5Very high91 Ų91131.7 Ų131.775%0.75262%0.623SS**Hα-helixtrans-62.2-33.4173.800000112.6A193 K194 G199A193-A197 WeakPolarHBondContact O-CB 3.4Å; A193-A197 PolarHBondContact O-N 3.45Å; K194-A197 PolarHBondContact O-N 3.21Å; A197-G199 VanDerWaalsContact C-N 3.29Å
198Q92.1Very high92.6Very high130 Ų130128.7 Ų128.761%0.60761%0.608SS**THydrogen-bonded Turntrans-80.3-4.9173.5-68.4176.41.800113.8K194 L195 E196 R200K194-Q198 WeakPolarHBondContact O-CG 3.43Å; K194-Q198 PolarHBondContact O-N 3.37Å; K194-Q198 VanDerWaalsContact O-N 3.12Å; L195-Q198 PolarHBondContact O-N 2.83Å; E196-Q198 VanDerWaalsContact C-N 3.27Å; E196-Q198 PolarHBondContact O-N 3.12Å; Q198-R200 HydrophobicContact CB-CG 4.03Å; Q198-R200 PolarHBondContact O-N 2.84Å
199G88Confident92.5Very high58 Ų58127.2 Ų127.260%0.59861%0.611SS**THydrogen-bonded Turntrans66.718.7-178.400000114.8L195 E196 A197 I201L195-G199 PolarHBondContact O-N 2.79Å; E196-G199 PolarHBondContact O-N 3.17Å; A197-G199 VanDerWaalsContact C-N 3.29Å; G199-I201 VanDerWaalsContact C-N 3.31Å; G199-I201 PolarHBondContact O-N 2.89Å
200R86Confident92.7Very high195 Ų195126.8 Ų126.874%0.73661%0.613SS**  trans-76.3-17.5-177.4-69.9-67.5-173.5169.20113.7L195 Q198 P202L195-R200 HydrophobicContact CD2-CB 4.26Å; L195-R200 PolarHBondContact O-N 2.94Å; Q198-R200 HydrophobicContact CB-CG 4.03Å; Q198-R200 PolarHBondContact O-N 2.84Å; R200-P202 WeakPolarHBondContact O-CD 3.49Å
201I85.4Confident92.9Very high79 Ų79124.8 Ų124.841%0.40560%0.604SS.*SBendtrans-101.9106.8177-60.1173.9000108L195 E196 G199 K203L195-I201 HydrophobicContact CB-CD1 3.88Å; L195-I201 HydrophobicContact CB-CG1 4.19Å; L195-I201 HydrophobicContact CD1-CD1 4.42Å; E196-I201 HydrophobicContact CG-CD1 4.23Å; G199-I201 VanDerWaalsContact C-N 3.31Å; G199-I201 PolarHBondContact O-N 2.89Å; I201-K203 PolarHBondContact O-N 3.16Å
202P88.4Confident93Very high101 Ų101126.6 Ų126.666%0.65661%0.613SS**  trans-62126.8174.9-21.433.4000110.4R200 E204R200-P202 WeakPolarHBondContact O-CD 3.49Å; P202-E204 VanDerWaalsContact C-N 3.29Å
203K87.7Confident93.2Very high216 Ų216129.2 Ų129.294%0.93962%0.623SS**SBendtrans-67.5-33.6176.2-63.5-174.1179.9-174.50112I201I201-K203 PolarHBondContact O-N 3.16Å
204E92.1Very high93.4Very high171 Ų171129.3 Ų129.380%0.79961%0.614SS**SBendtrans-122.3150.6-176.6-66.7-177.3-177.600112P202P202-E204 VanDerWaalsContact C-N 3.29Å
205R94.6Very high93.6Very high244 Ų244128.2 Ų128.292%0.92161%0.609SS**  trans-84.6129.9176-173.9-178.8173.996.7-1.3110
206R95.3Very high93.9Very high184 Ų184130.3 Ų130.369%0.69462%0.617SS**  trans-64.9145.2172.2-60.2-179.4-179.8167.3-0.4111.2Y208R206-Y208 WeakPolarHBondContact CB-O 3.3Å; R206-Y208 PolarHBondContact O-N 3.32Å
207K96.6Very high94.1Very high203 Ų203126 Ų12688%0.88360%0.602SS**SBendtrans-56.1-38.2176.1-175.6177.9179.9-179.40112.6
208Y97.8Very high94.5Very high92 Ų92126.8 Ų126.836%0.36159%0.591SS.*  trans-144.7155.7171.251.9-97.4000108.9R206 E211 H214R206-Y208 WeakPolarHBondContact CB-O 3.3Å; R206-Y208 PolarHBondContact O-N 3.32Å; Y208-E211 WeakPolarHBondContact CE2-OE2 3.41Å; Y208-E211 VanDerWaalsContact CZ-OE2 3.31Å; Y208-E211 PolarHBondContact OH-OE2 3.37Å; Y208-H214 HydrophobicContact CD1-CB 4.12Å; Y208-H214 AromaticContact CD1-CG 3.94Å; Y208-H214 HydrophobicContact CD2-CB 3.88Å; Y208-H214 HydrophobicContact CE1-CB 4.15Å; Y208-H214 AromaticContact CE1-CD2 3.73Å; Y208-H214 AromaticContact CE1-CG 3.72Å; Y208-H214 HydrophobicContact CE2-CB 3.91Å; Y208-H214 HydrophobicContact CG-CB 3.98Å; Y208-H214 AromaticContact CZ-CD2 3.74Å; Y208-H214 AromaticContact CZ-CG 3.9Å
209L96.4Very high94.7Very high122 Ų122127.2 Ų127.264%0.63960%0.598SS**SBendtrans-84.5-32.3-175.4-173.458.9000113
210H98.6Very high95.1Very high85 Ų85129.3 Ų129.339%0.39459%0.587SS.*  trans-136.5131.6-171.3-54-62.4000112.3R213 H214H210-R213 HydrophobicContact CB-CB 4.21Å; H210-R213 HydrophobicContact CB-CG 3.98Å; H210-R213 PolarHBondContact CD2-NE 3.35Å; H210-R213 PolarHBondContact O-N 3.38Å; H210-H214 PolarHBondContact O-N 3.21Å
211E98.3Very high95.5Very high86 Ų86125.7 Ų125.740%0.40258%0.581SS.*Hα-helixtrans-65.6-41.8-177.5-171.754-138.600112.6Y208 R213 H214 K215Y208-E211 WeakPolarHBondContact CE2-OE2 3.41Å; Y208-E211 VanDerWaalsContact CZ-OE2 3.31Å; Y208-E211 PolarHBondContact OH-OE2 3.37Å; E211-R213 VanDerWaalsContact C-N 3.28Å; E211-R213 PolarHBondContact O-N 2.94Å; E211-H214 WeakPolarHBondContact O-CB 3.48Å; E211-H214 PolarHBondContact O-N 3.11Å; E211-H214 VanDerWaalsContact O-N 3.13Å; E211-H214 IonicContact OE1-CD2 3.7Å; E211-K215 HydrophobicContact CG-CD 4.47Å; E211-K215 WeakPolarHBondContact O-CG 3.38Å; E211-K215 PolarHBondContact O-N 3.49Å; E211-K215 WeakPolarHBondContact OE1-CE 3.47Å
212S98.5Very high95.9Very high87 Ų87127.1 Ų127.161%0.60858%0.581SS**Hα-helixtrans-60.2-38.2177.158.50000112.6K215 H216S212-K215 PolarHBondContact O-N 3.32Å; S212-H216 WeakPolarHBondContact O-CB 3.2Å; S212-H216 PolarHBondContact O-N 3.31Å
213R98.3Very high96.2Very high178 Ų178124.6 Ų124.667%0.67257%0.566SS**Hα-helixtrans-68.1-39.1176.4-66.3-172.3-177.6-950.9111.7H210 E211 H216 A217H210-R213 HydrophobicContact CB-CB 4.21Å; H210-R213 HydrophobicContact CB-CG 3.98Å; H210-R213 PolarHBondContact CD2-NE 3.35Å; H210-R213 PolarHBondContact O-N 3.38Å; E211-R213 VanDerWaalsContact C-N 3.28Å; E211-R213 PolarHBondContact O-N 2.94Å; R213-H216 PolarHBondContact O-N 3.46Å; R213-A217 WeakPolarHBondContact O-CB 3.33Å; R213-A217 PolarHBondContact O-N 3.4Å
214H98.7Very high96.5Very high56 Ų56119.1 Ų119.126%0.25956%0.555SS.*Hα-helixtrans-61.6-51174.3178.249.4000110.8Y208 H210 E211 H216 A217 M218Y208-H214 HydrophobicContact CD1-CB 4.12Å; Y208-H214 AromaticContact CD1-CG 3.94Å; Y208-H214 HydrophobicContact CD2-CB 3.88Å; Y208-H214 HydrophobicContact CE1-CB 4.15Å; Y208-H214 AromaticContact CE1-CD2 3.73Å; Y208-H214 AromaticContact CE1-CG 3.72Å; Y208-H214 HydrophobicContact CE2-CB 3.91Å; Y208-H214 HydrophobicContact CG-CB 3.98Å; Y208-H214 AromaticContact CZ-CD2 3.74Å; Y208-H214 AromaticContact CZ-CG 3.9Å; H210-H214 PolarHBondContact O-N 3.21Å; E211-H214 WeakPolarHBondContact O-CB 3.48Å; E211-H214 PolarHBondContact O-N 3.11Å; E211-H214 VanDerWaalsContact O-N 3.13Å; E211-H214 IonicContact OE1-CD2 3.7Å; H214-H216 PolarHBondContact O-N 3Å; H214-A217 PolarHBondContact O-N 2.88Å; H214-A217 VanDerWaalsContact O-N 3.11Å; H214-M218 WeakPolarHBondContact O-CG 3.23Å; H214-M218 PolarHBondContact O-N 2.94Å
215K98.3Very high96.6Very high122 Ų122114 Ų11453%0.5355%0.549SS..Hα-helixtrans-56-46.3175.5-69.5179.3177.7-177.30112.5E211 S212 A217 M218 N219E211-K215 HydrophobicContact CG-CD 4.47Å; E211-K215 WeakPolarHBondContact O-CG 3.38Å; E211-K215 PolarHBondContact O-N 3.49Å; E211-K215 WeakPolarHBondContact OE1-CE 3.47Å; S212-K215 PolarHBondContact O-N 3.32Å; K215-A217 PolarHBondContact O-N 3.48Å; K215-M218 PolarHBondContact O-N 3.13Å; K215-N219 WeakPolarHBondContact O-CB 3.45Å; K215-N219 PolarHBondContact O-N 3.44Å
216H98.4Very high96.7Very high119 Ų119104.1 Ų104.155%0.55152%0.523SS*.Hα-helixtrans-58.3-47.3175.1175.871.6000111.5S212 R213 H214 M218 N219 R220S212-H216 WeakPolarHBondContact O-CB 3.2Å; S212-H216 PolarHBondContact O-N 3.31Å; R213-H216 PolarHBondContact O-N 3.46Å; H214-H216 PolarHBondContact O-N 3Å; H216-M218 VanDerWaalsContact C-N 3.31Å; H216-M218 PolarHBondContact O-N 3.49Å; H216-N219 PolarHBondContact O-N 3.25Å; H216-R220 VanDerWaalsContact O-CG 3.3Å; H216-R220 WeakPolarHBondContact O-CG 3.34Å; H216-R220 PolarHBondContact O-N 2.96Å
217A97.5Very high96.6Very high28 Ų28103.9 Ų103.923%0.23152%0.522CS..Hα-helixtrans-65-30.8179.100000113.7R213 H214 K215 R222R213-A217 WeakPolarHBondContact O-CB 3.33Å; R213-A217 PolarHBondContact O-N 3.4Å; H214-A217 PolarHBondContact O-N 2.88Å; H214-A217 VanDerWaalsContact O-N 3.11Å; K215-A217 PolarHBondContact O-N 3.48Å; A217-R222 PolarHBondContact O-NH2 2.97Å
218M96.9Very high96.6Very high106 Ų10697.5 Ų97.552%0.52249%0.494SS..Hα-helixtrans-73.4-40.9175.9-66.1-57.4100.100111.9H214 K215 H216 R220H214-M218 WeakPolarHBondContact O-CG 3.23Å; H214-M218 PolarHBondContact O-N 2.94Å; K215-M218 PolarHBondContact O-N 3.13Å; H216-M218 VanDerWaalsContact C-N 3.31Å; H216-M218 PolarHBondContact O-N 3.49Å; M218-R220 PolarHBondContact O-N 3.31Å
219N96.9Very high96.3Very high140 Ų14098.6 Ų98.675%0.74950%0.501SS*.Hα-helixtrans-83.8-7.1-174.3-65.7-3.2000114.4K215 H216K215-N219 WeakPolarHBondContact O-CB 3.45Å; K215-N219 PolarHBondContact O-N 3.44Å; H216-N219 PolarHBondContact O-N 3.25Å
220R95.8Very high95.8Very high102 Ų10296.8 Ų96.839%0.38550%0.499SS..SBendtrans-68.2137.8177-82.2177.775174.96.1111.4H216 M218 F228H216-R220 VanDerWaalsContact O-CG 3.3Å; H216-R220 WeakPolarHBondContact O-CG 3.34Å; H216-R220 PolarHBondContact O-N 2.96Å; M218-R220 PolarHBondContact O-N 3.31Å; R220-F228 HydrophobicContact CB-CD1 3.67Å; R220-F228 HydrophobicContact CB-CE1 3.64Å; R220-F228 HydrophobicContact CG-CD1 4.4Å; R220-F228 HydrophobicContact CG-CE1 4.27Å; R220-F228 VanDerWaalsContact NH2-CG 3.33Å
221I94.7Very high95Very high118 Ų11898.2 Ų98.261%0.60551%0.513SS*.  trans-60.7139.1170.2-169.9163.6000111.2F229I221-F229 HydrophobicContact CG2-CB 3.7Å; I221-F229 HydrophobicContact CG2-CG 4.49Å; I221-F229 PolarHBondContact O-N 2.78Å
222R95.1Very high94Very high109 Ų10999 Ų9941%0.41153%0.526SS..BIsolated β-bridgetrans-126.5148.6-175.5-68172.9-177.2-92.91.9110.5A217 G226 R227 F228A217-R222 PolarHBondContact O-NH2 2.97Å; R222-G226 PolarHBondContact NH1-O 3.09Å; R222-R227 CarbonylContact C-O 3.58Å; R222-R227 WeakPolarHBondContact CA-O 3.46Å; R222-F228 HydrophobicContact CG-CD1 4.19Å
223S93.8Very high92Very high48 Ų4898.2 Ų98.234%0.33652%0.52SS..  trans-73.1168.1165.558.70000110.8G225 G226 R227S223-G225 PolarHBondContact O-N 3.17Å; S223-G225 VanDerWaalsContact O-N 3.14Å; S223-G226 PolarHBondContact O-N 2.84Å; S223-R227 PolarHBondContact N-O 2.86Å; S223-R227 PolarHBondContact OG-O 2.86Å
224S92.9Very high90.1Very high102 Ų102101.3 Ų101.371%0.71353%0.533SS*.THydrogen-bonded Turntrans-55.7-29.517854.60000113.6G226S224-G226 VanDerWaalsContact C-N 3.31Å; S224-G226 PolarHBondContact O-N 2.9Å
225G95.8Very high88.3Confident64 Ų64103.1 Ų103.166%0.6655%0.553SS**THydrogen-bonded Turntrans-84.711.4176.400000115.4S223 R227S223-G225 PolarHBondContact O-N 3.17Å; S223-G225 VanDerWaalsContact O-N 3.14Å; G225-R227 PolarHBondContact O-N 3.11Å; G225-R227 VanDerWaalsContact O-N 3.16Å
226G95.2Very high86.3Confident36 Ų36102.6 Ų102.637%0.37156%0.555SS.*SBendtrans76.4-3.3178.100000115.4R222 S223 S224R222-G226 PolarHBondContact NH1-O 3.09Å; S223-G226 PolarHBondContact O-N 2.84Å; S224-G226 VanDerWaalsContact C-N 3.31Å; S224-G226 PolarHBondContact O-N 2.9Å
227R94.7Very high84.2Confident179 Ų179101.8 Ų101.868%0.67557%0.57SS**SBendtrans-71.9147.9171.3-51.2-178.485.4-1076.6109.5R222 S223 G225R222-R227 CarbonylContact C-O 3.58Å; R222-R227 WeakPolarHBondContact CA-O 3.46Å; S223-R227 PolarHBondContact N-O 2.86Å; S223-R227 PolarHBondContact OG-O 2.86Å; G225-R227 PolarHBondContact O-N 3.11Å; G225-R227 VanDerWaalsContact O-N 3.16Å
228F95.6Very high82.3Confident68 Ų68107.8 Ų107.830%0.29860%0.598SS.*BIsolated β-bridgetrans-60.4142.8171.4-60.8-53.4000110.7R220 R222 S230R220-F228 HydrophobicContact CB-CD1 3.67Å; R220-F228 HydrophobicContact CB-CE1 3.64Å; R220-F228 HydrophobicContact CG-CD1 4.4Å; R220-F228 HydrophobicContact CG-CE1 4.27Å; R220-F228 VanDerWaalsContact NH2-CG 3.33Å; R222-F228 HydrophobicContact CG-CD1 4.19Å; F228-S230 PolarHBondContact O-N 2.88Å; F228-S230 VanDerWaalsContact O-N 3.12Å
229F91.4Very high80.3Confident115 Ų115109.3 Ų109.350%0.50461%0.608SS.*PPolyproline II helixtrans-60.5117.2176.1-169.6-97.9000109.3I221I221-F229 HydrophobicContact CG2-CB 3.7Å; I221-F229 HydrophobicContact CG2-CG 4.49Å; I221-F229 PolarHBondContact O-N 2.78Å
230S86.8Confident78.1Confident85 Ų85108 Ų10859%0.59461%0.61SS**PPolyproline II helixtrans-82.4122.4164.846.70000107.2F228F228-S230 PolarHBondContact O-N 2.88Å; F228-S230 VanDerWaalsContact O-N 3.12Å
231V81.3Confident75.6Confident115 Ų115110.3 Ų110.370%0.69764%0.636SS**PPolyproline II helixtrans-56.9132.1162.6-177.20000106.3S233V231-S233 PolarHBondContact O-N 2.72Å
232P77.2Confident73.6Confident102 Ų102108.6 Ų108.666%0.66264%0.639SS**  trans-58.2105.9177.6-20.330.5000109.1
233S56.3Low71.3Confident71 Ų71108.4 Ų108.450%0.49765%0.654SS.*  trans-68.5131164.3-65.70000106.8V231 S235 D236V231-S233 PolarHBondContact O-N 2.72Å; S233-S235 PolarHBondContact O-N 3.17Å; S233-D236 PolarHBondContact O-N 3.33Å
234Y59.3Low69.2Low242 Ų242111.3 Ų111.395%0.94967%0.67SS**THydrogen-bonded Turntrans-56.8-7.7-178-65.8-82.6000114.5
235S59.8Low66.9Low95 Ų95111.3 Ų111.366%0.66467%0.67SS**THydrogen-bonded Turntrans-87.4-21.6179.456.90000115.5S233S233-S235 PolarHBondContact O-N 3.17Å
236D56.2Low64.7Low110 Ų110113.3 Ų113.359%0.58867%0.674SS**  trans-1056.7-164.5-60.3-15.9000113.9S233 N238 N239S233-D236 PolarHBondContact O-N 3.33Å; D236-N238 PolarHBondContact O-N 2.93Å; D236-N239 PolarHBondContact O-N 3Å
237A55.7Low62.3Low103 Ų103116.7 Ų116.785%0.85169%0.692SS**THydrogen-bonded Turntrans-66-2.7-178.300000115
238N56.2Low60.3Low153 Ų153116 Ų11682%0.81870%0.702SS**THydrogen-bonded Turntrans-94.7-23-176.8174.4-60.9000114D236D236-N238 PolarHBondContact O-N 2.93Å
239N55.2Low58Low138 Ų138118.7 Ų118.774%0.73873%0.729SS**SBendtrans-134.445-161.8-167.828.2000115.5D236D236-N239 PolarHBondContact O-N 3Å
240S50.9Low56.1Low112 Ų112118.7 Ų118.778%0.78374%0.743SS**  trans-148.269.4172.3-73.30000113.4A242S240-A242 PolarHBondContact O-N 2.78Å
241T44.4Very low54.3Low152 Ų152119 Ų11993%0.93375%0.751SS**  trans-76.384.3159.6-41.30000108.8
242A51.3Low52.9Low81 Ų81120.9 Ų120.967%0.66976%0.756SS**  trans-158.894167.600000112.1S240S240-A242 PolarHBondContact O-N 2.78Å
243S47.2Very low51.5Low106 Ų106121.4 Ų121.474%0.74176%0.757SS**  trans44.7105.2139.655.40000118.7
244T50.4Low51Low108 Ų108123 Ų12366%0.66377%0.768SS**  175.3121.3105.3-63.30000109.5
245S44.7Very low50.5Low103 Ų103120.5 Ų120.572%0.7276%0.763SS**  trans-58.6165.5173.444.30000115
246S49.3Very low49.8Very low105 Ų105123.4 Ų123.473%0.73477%0.766SS**  trans89.193.7160.873.40000119.5
247S44.5Very low49.7Very low108 Ų108123.2 Ų123.276%0.75577%0.769SS**  53.999.7118.2-380000118.7
248N52.7Low49.3Very low165 Ų165125 Ų12588%0.88276%0.764SS**  trans-175.879.4137.2-91.9-12.6000110S250N248-S250 PolarHBondContact O-N 3.31Å
249S48.1Very low49Very low124 Ų124125.2 Ų125.287%0.86776%0.76SS**  trans-90.666.1176.755.80000111
250S51.5Low48.8Very low115 Ų115126.2 Ų126.280%0.80477%0.765SS**  trans-151.147.6-179.9-45.60000112.6N248N248-S250 PolarHBondContact O-N 3.31Å
251A47.6Very low48.7Very low91 Ų91125.7 Ų125.775%0.75276%0.76SS**  trans-154.853173.300000111.5
252I53.7Low48.8Very low155 Ų155127.9 Ų127.980%0.79576%0.757SS**  trans-96.4121.5165.9-74.6175.2000106.1
253T46.4Very low48.6Very low113 Ų113130.9 Ų130.969%0.69377%0.767SS**  trans65.688.1162.260.60000118.8F255T253-F255 HydrophobicContact CG2-CE2 4.49Å
254S45.4Very low48.8Very low104 Ų104135.8 Ų135.873%0.72778%0.775SS**  trans-134.194.5143.657.80000109.7Q256S254-Q256 VanDerWaalsContact C-N 3.29Å; S254-Q256 PolarHBondContact O-N 3.27Å
255F48.7Very low48.6Very low190 Ų190138 Ų13883%0.83378%0.781SS**  trans-73.390.4164.1-65.3-84.8000107.1T253 T257T253-F255 HydrophobicContact CG2-CE2 4.49Å; F255-T257 PolarHBondContact O-N 3.05Å; F255-T257 VanDerWaalsContact O-N 3.1Å
256Q46.7Very low49Very low156 Ų156140.8 Ų140.873%0.72979%0.787SS**  trans-75.492171.4-15292.446.700107.6S254 N258S254-Q256 VanDerWaalsContact C-N 3.29Å; S254-Q256 PolarHBondContact O-N 3.27Å; Q256-N258 PolarHBondContact O-N 3.1Å
257T53.8Low49.4Very low106 Ų106141.1 Ų141.165%0.6579%0.79SS**  trans-66.6112.1160.7480000106.9F255 E259F255-T257 PolarHBondContact O-N 3.05Å; F255-T257 VanDerWaalsContact O-N 3.1Å; T257-E259 VanDerWaalsContact C-N 3.25Å; T257-E259 PolarHBondContact O-N 3.29Å
258N46.2Very low49.7Very low141 Ų141147.6 Ų147.675%0.75482%0.816SS**  trans-7185.4171.8-67.6-51000108.6Q256 D260Q256-N258 PolarHBondContact O-N 3.1Å; N258-D260 PolarHBondContact O-N 2.92Å
259E50.8Low49.6Very low156 Ų156146.7 Ų146.773%0.72981%0.812SS**  trans-87.264.1164.7-67.5-64.8139.200108.7T257 C261T257-E259 VanDerWaalsContact C-N 3.25Å; T257-E259 PolarHBondContact O-N 3.29Å; E259-C261 PolarHBondContact O-N 3.05Å
260D50.6Low49.7Very low159 Ų159147.9 Ų147.985%0.8581%0.809SS**  trans-81.566.9167-116.8-32.3000108.3N258N258-D260 PolarHBondContact O-N 2.92Å
261C49.8Very low49.6Very low101 Ų101149.7 Ų149.768%0.68281%0.81SS**  trans-145.754.9-178.2-145.30000110.2E259E259-C261 PolarHBondContact O-N 3.05Å
262K44.6Very low49.7Very low199 Ų199153.2 Ų153.287%0.86581%0.813SS**  trans175.496.4164.5-102.4158-176.6-1760110
263T47.1Very low49.5Very low144 Ų144153.1 Ų153.188%0.88381%0.814SS**  trans17284.2144.145.30000109.1
264K52.4Low49.7Very low209 Ų209155.7 Ų155.791%0.90982%0.822SS**  trans-145.959.9161.5-145.9-176.1-170.8-163.30110
265I46.9Very low50Low155 Ų155159.4 Ų159.480%0.79583%0.829SS**  trans-139.5134.1165.5-49.3-179.3000105.3
266L51.6Low50.1Low161 Ų161157.1 Ų157.184%0.84383%0.829SS**  trans97.3128.3177.4-64.997.8000118.4
267S58.4Low50.3Low112 Ų112157.2 Ų157.278%0.78384%0.837SS**  trans95.175.1163.7-61.70000119.6
268N52Low50Low243 Ų243161.8 Ų161.8100%1.29985%0.854SS**  -176.20111.8-95.1-18.1000110.1

Retrieved 268 of 268 residues in 32.6 ms (Link to these results)