A0A060D249_MAIZE Loading...

Dof zinc finger protein

Transcription factor that binds specifically to a 5'-AA[AG]G-3' consensus core sequence.

AlphaFold DB , UniProt , Accession A0A060D249, Species MAIZE (Zea mays, Maize), Gene DOF42, Length 300 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
1M57.1Low60.6Low239 Ų239157.4 Ų157.4100%1.17787%0.866SS**  0128.80-64.181.3166.900108.2
2Q66.6Low59.5Low190 Ų190150.4 Ų150.489%0.88886%0.858SS**  trans-130.3130165.3-89.5174.1-2.400107.3
3E59.2Low59.5Low179 Ų179158.8 Ų158.884%0.83687%0.867SS**  trans-91.2120.7-163.3-167.3-178.7110.800110.1
4F69.4Low59Low194 Ų194159.4 Ų159.485%0.85187%0.867SS**  trans-89.2110.3172.2-88.2-94.3000109.4S6F4-S6 PolarHBondContact O-N 3.45Å
5Q66.5Low58.6Low175 Ų175162.9 Ų162.982%0.81887%0.871SS**PPolyproline II helixtrans-66.6120.2170.2-68.7-169.85.300110
6S69Low57.9Low112 Ų112157.3 Ų157.378%0.78386%0.864SS**PPolyproline II helixtrans-89.2126.7175.4-66.40000110.5F4 P8F4-S6 PolarHBondContact O-N 3.45Å; S6-P8 WeakPolarHBondContact O-CD 3.19Å
7I65.4Low57.2Low164 Ų164153 Ų15384%0.84187%0.865SS**PPolyproline II helixtrans-80.8120.8176.8-57171.4000109.1
8P52.6Low56.6Low124 Ų124150.6 Ų150.681%0.80587%0.867SS**PPolyproline II helixtrans-84.2129.817333-30.9000110.2S6S6-P8 WeakPolarHBondContact O-CD 3.19Å
9G54.4Low56.1Low74 Ų74148.2 Ų148.276%0.76387%0.867SS**  trans-176.25.1-176.900000121.7
10L54.2Low55.9Low181 Ų181145.6 Ų145.695%0.94886%0.863SS**  trans-123.284179.5-147.179.9000113.4
11A51.9Low55.6Low99 Ų99145 Ų14582%0.81886%0.864SS**  trans-86126.1171.900000111.9
12G48.4Very low55.3Low74 Ų74137.4 Ų137.476%0.76385%0.846SS**  trans41.4109.5146.400000120.5
13R58.6Low54.5Low260 Ų260135.7 Ų135.798%0.98184%0.843SS**  trans-132.6108.3146.9-64.7-172.2-173.8-118.3-3109.1
14L53.5Low54.4Low166 Ų166135.3 Ų135.387%0.86985%0.846SS**  trans-122.5102.4-172.2-175.488.3000108.8
15F52.4Low53.5Low212 Ų212137.4 Ų137.493%0.9385%0.848SS**  trans-175134.3165.3-107.6-79.1000106.2
16G47.4Very low52.8Low73 Ų73140.5 Ų140.575%0.75385%0.852SS**  cis120.590.27.700000110.3
17G45.3Very low52.1Low85 Ų85139.6 Ų139.688%0.87685%0.852SS**  trans-177.7115.6179.300000112.7
18A46.7Very low51.3Low109 Ų109141.1 Ų141.190%0.90186%0.855SS**  trans-116.6146.4-176.500000111.7
19A47Very low51Low106 Ų106139.5 Ų139.588%0.87685%0.852SS**  trans-150.4145.4161.800000109.7
20A53.6Low50.8Low95 Ų95139.9 Ų139.979%0.78585%0.848SS**  trans-90.6163.7-160.300000114.8
21P49.4Very low50.8Low135 Ų135140.5 Ų140.588%0.87785%0.846SS**  trans-83.1157.9179.234.8-35.6000112.9
22G50.9Low50.3Low78 Ų78145.1 Ų145.180%0.80485%0.851SS**  trans-147.7112.3175.900000113.2
23D49.8Very low50Low154 Ų154144.6 Ų144.682%0.82485%0.845SS**  trans-63138.6172.4-81.8-89.1000113.4
24L55.3Low49.4Very low172 Ų172139.2 Ų139.290%0.90184%0.844SS**  trans-151.776.7148.5-142.381.7000115.2R26L24-R26 PolarHBondContact O-N 3.11Å
25R50.5Low48.7Very low237 Ų237134.2 Ų134.289%0.89483%0.833SS**  trans-20.9110.7150.9176.8-165.6178-176.41.3116.2
26R51.9Low48.2Very low240 Ų240127.4 Ų127.491%0.90682%0.822SS**  trans-161.5148.2150.9-150.872.5-175.7-175.61.5114.7L24L24-R26 PolarHBondContact O-N 3.11Å
27A54.1Low48.2Very low93 Ų93128.1 Ų128.177%0.76982%0.821SS**  trans73.274.4157.600000119.8
28Q49.1Very low48.3Very low197 Ų197135.2 Ų135.292%0.92182%0.821SS**  trans-58.5126137.8169.1-161.4-6.100109.8
29A46.7Very low48.3Very low89 Ų89136.1 Ų136.174%0.73682%0.819SS**  trans163.8132.8136.400000112.8
30A49.7Very low47.9Very low83 Ų83134.8 Ų134.869%0.68682%0.816SS**  trans40.1115.4151.100000120.1
31Q54.3Low47.2Very low193 Ų193133.1 Ų133.190%0.90281%0.808SS**  -174.9159.4105.2-96.2153103.100113.3
32H42.8Very low46.9Very low197 Ų197131.2 Ų131.291%0.91280%0.804SS**  trans-71.3148.9-175.7-63.5107.8000113.5
33G41.3Very low46.8Very low63 Ų63132 Ų13265%0.64980%0.796SS**  trans-168.7107.6166.200000112.7G35G33-G35 PolarHBondContact O-N 3Å
34P45.8Very low46.8Very low147 Ų147130.5 Ų130.596%0.95580%0.796SS**  trans-78.172.7173.133.3-33.2000109.5
35G39Very low46.1Very low61 Ų61127 Ų12763%0.62979%0.792SS**  trans-13128.3-166.600000114.2G33 A37G33-G35 PolarHBondContact O-N 3Å; G35-A37 PolarHBondContact O-N 3.29Å
36G41.5Very low46Very low68 Ų68118.5 Ų118.570%0.70177%0.772SS**  trans-68.970.1175.300000112.1R38G36-R38 PolarHBondContact O-N 3.07Å
37A47.7Very low46.2Very low89 Ų89112.6 Ų112.674%0.73676%0.764SS**  trans-65.876.1168.400000109G35 C39G35-A37 PolarHBondContact O-N 3.29Å; A37-C39 PolarHBondContact O-N 3.07Å
38R47Very low46.6Very low234 Ų234115.1 Ų115.188%0.88376%0.76SS**  trans-48.8104.8164.436.1177.4162-96.5-3.1107G36 G40G36-R38 PolarHBondContact O-N 3.07Å; R38-G40 PolarHBondContact O-N 3.13Å
39C47.8Very low47.7Very low127 Ų127108.5 Ų108.586%0.85874%0.739SS**  trans-53.7107.8-175.1-62.30000108.5A37 G41A37-C39 PolarHBondContact O-N 3.07Å; C39-G41 PolarHBondContact O-N 3.35Å
40G37.3Very low49.4Very low78 Ų78105.7 Ų105.780%0.80471%0.713SS**  trans-71.663.8170.300000109.1R38 A42R38-G40 PolarHBondContact O-N 3.13Å; G40-A42 VanDerWaalsContact C-N 3.34Å; G40-A42 PolarHBondContact O-N 3.25Å
41G39.8Very low51.2Low60 Ų60107.6 Ų107.662%0.61971%0.705SS**  trans-59.2104.9162.500000106.2C39 S43C39-G41 PolarHBondContact O-N 3.35Å; G41-S43 PolarHBondContact O-N 3.33Å
42A42.2Very low52.9Low96 Ų9698.4 Ų98.479%0.79366%0.662SS**  trans-51.6110.9175.200000107G40 P44G40-A42 VanDerWaalsContact C-N 3.34Å; G40-A42 PolarHBondContact O-N 3.25Å; A42-P44 WeakPolarHBondContact O-CD 3.34Å; A42-P44 VanDerWaalsContact O-N 3.08Å
43S49.9Very low55.1Low93 Ų9392 Ų9265%0.6564%0.638SS**  trans-60.4118.5-177.5-63.70000107.2G41 A45G41-S43 PolarHBondContact O-N 3.33Å; S43-A45 PolarHBondContact O-N 3.46Å
44P49.8Very low57.1Low124 Ų12491.7 Ų91.781%0.80562%0.618SS**THydrogen-bonded Turntrans-57.9115.9-179.623.7-32.8000107.1A42 A46A42-P44 WeakPolarHBondContact O-CD 3.34Å; A42-P44 VanDerWaalsContact O-N 3.08Å; P44-A46 WeakPolarHBondContact O-CA 3.5Å; P44-A46 PolarHBondContact O-N 3.31Å
45A39.6Very low59.2Low99 Ų9987.3 Ų87.382%0.81859%0.59SS**THydrogen-bonded Turntrans-9.586-163.300000113.5S43S43-A45 PolarHBondContact O-N 3.46Å
46A49.3Very low61.6Low57 Ų5790.4 Ų90.447%0.47159%0.588SS.*  trans-51.2125.3-164.700000110.4P44 E48P44-A46 WeakPolarHBondContact O-CA 3.5Å; P44-A46 PolarHBondContact O-N 3.31Å; A46-E48 PolarHBondContact O-N 3.47Å
47P55.6Low63.9Low116 Ų11688.5 Ų88.575%0.75356%0.564SS**THydrogen-bonded Turntrans-57.5101.2-162.521-34.1000110.5A49P47-A49 VanDerWaalsContact C-N 3.31Å; P47-A49 PolarHBondContact O-N 2.8Å
48E63.3Low66Low147 Ų14789.2 Ų89.269%0.68756%0.559SS**THydrogen-bonded Turntrans18.668.5-178.844.1154.7177.200113.5A46 V50 K86A46-E48 PolarHBondContact O-N 3.47Å; E48-V50 WeakPolarHBondContact O-CA 3.18Å; E48-V50 WeakPolarHBondContact O-CG2 3.39Å; E48-V50 PolarHBondContact O-N 3.31Å; E48-K86 IonicContact OE1-NZ 2.65Å; E48-K86 PolarHBondContact OE1-NZ 3.11Å; E48-K86 IonicContact OE2-NZ 2.69Å; E48-K86 PolarHBondContact OE2-NZ 3.22Å
49A71.5Confident68.1Low57 Ų5782.9 Ų82.947%0.47154%0.543SS..  trans-50.7100.7-164.700000112.7P47 K51P47-A49 VanDerWaalsContact C-N 3.31Å; P47-A49 PolarHBondContact O-N 2.8Å; A49-K51 PolarHBondContact O-N 3.23Å; A49-K51 VanDerWaalsContact O-N 3.09Å
50V81.6Confident70.2Confident30 Ų3078.3 Ų78.318%0.18251%0.511CS..  trans-73.6111.5-160.4-164.70000110.5E48 T60 W84 K86E48-V50 WeakPolarHBondContact O-CA 3.18Å; E48-V50 WeakPolarHBondContact O-CG2 3.39Å; E48-V50 PolarHBondContact O-N 3.31Å; V50-T60 VanDerWaalsContact O-CG2 3.28Å; V50-T60 WeakPolarHBondContact O-CG2 3.33Å; V50-T60 PolarHBondContact O-OG1 2.91Å; V50-W84 HydrophobicContact CB-CH2 3.64Å; V50-W84 HydrophobicContact CB-CZ2 4.27Å; V50-W84 HydrophobicContact CG1-CH2 3.33Å; V50-W84 HydrophobicContact CG1-CZ2 4.32Å; V50-W84 HydrophobicContact CG1-CZ3 3.83Å; V50-K86 HydrophobicContact CG1-CD 4.1Å; V50-K86 HydrophobicContact CG1-CG 4.01Å; V50-K86 HydrophobicContact CG2-CD 3.87Å
51K89.1Confident72.8Confident123 Ų12381.6 Ų81.654%0.53550%0.503SS..  trans-62.5138-178.967.4171.7-175.8164.30111.7A49 P53 E56A49-K51 PolarHBondContact O-N 3.23Å; A49-K51 VanDerWaalsContact O-N 3.09Å; K51-P53 WeakPolarHBondContact O-CD 3.32Å; K51-E56 IonicContact NZ-OE1 2.85Å; K51-E56 PolarHBondContact NZ-OE1 3.28Å
52C89.8Confident75.3Confident0 Ų082.9 Ų82.90%049%0.492CS..  trans-71123.3177-1740000110.8R54 C55 E56 S57 T60 C77C52-R54 PolarHBondContact O-N 2.99Å; C52-C55 PolarHBondContact O-N 3Å; C52-E56 VanDerWaalsContact O-CA 3.26Å; C52-E56 WeakPolarHBondContact O-CA 3.33Å; C52-E56 PolarHBondContact O-N 3.28Å; C52-S57 PolarHBondContact N-O 3.12Å; C52-T60 HydrophobicContact CB-CG2 3.78Å; C52-C77 HydrophobicContact CB-CB 3.86Å; C52-C77 WeakPolarHBondContact CB-SG 3.28Å; C52-C77 VanDerWaalsContact SG-CB 3.54Å; C52-C77 VanDerWaalsContact SG-SG 3.69Å
53P87.6Confident77.8Confident63 Ų6381.2 Ų81.241%0.40947%0.474SS..THydrogen-bonded Turntrans-69.94.8-176.329.1-37.1000114.9K51 W84K51-P53 WeakPolarHBondContact O-CD 3.32Å; P53-W84 HydrophobicContact CG-CE3 4.26Å
54R85Confident79.9Confident56 Ų5681.8 Ų81.821%0.21146%0.463CS..THydrogen-bonded Turntrans-106.2-21178.6-71.1-174.6171.9126.6-1.3114.9C52 Y83 L90C52-R54 PolarHBondContact O-N 2.99Å; R54-Y83 PolarHBondContact NH1-O 2.84Å; R54-L90 HydrophobicContact CG-CD2 4.27Å
55C89.5Confident82Confident55 Ų5580.8 Ų80.837%0.37244%0.444SS..THydrogen-bonded Turntrans-156.49.9-171.1600000112.8C52 S57 C77 S79 C80C52-C55 PolarHBondContact O-N 3Å; C55-S57 PolarHBondContact O-N 3.05Å; C55-C77 VanDerWaalsContact SG-SG 3.65Å; C55-S79 PolarHBondContact SG-OG 2.95Å; C55-C80 HydrophobicContact CB-CB 4.46Å
56E88.9Confident84.3Confident127 Ų12777 Ų7759%0.59341%0.41SS*.  trans54.61.9175.1-51.6-154108.400117.4K51 C52 T58K51-E56 IonicContact NZ-OE1 2.85Å; K51-E56 PolarHBondContact NZ-OE1 3.28Å; C52-E56 VanDerWaalsContact O-CA 3.26Å; C52-E56 WeakPolarHBondContact O-CA 3.33Å; C52-E56 PolarHBondContact O-N 3.28Å; E56-T58 PolarHBondContact O-N 2.74Å
57S88.9Confident86Confident28 Ų2880.6 Ų80.620%0.19642%0.421CS..  trans-67138.5-178.782.20000111.8C52 C55 N59 C77 S79C52-S57 PolarHBondContact N-O 3.12Å; C55-S57 PolarHBondContact O-N 3.05Å; S57-N59 PolarHBondContact O-N 2.93Å; S57-C77 PolarHBondContact OG-SG 2.94Å; S57-S79 WeakPolarHBondContact CB-OG 3.45Å; S57-S79 PolarHBondContact OG-OG 2.85Å
58T92.3Very high87.4Confident104 Ų10486 Ų8664%0.63843%0.427SS*.SBendtrans-70.6-11.417252.60000113.8E56 T60E56-T58 PolarHBondContact O-N 2.74Å; T58-T60 PolarHBondContact O-N 3.12Å
59N90.5Very high88.3Confident101 Ų10182.7 Ų82.754%0.5442%0.415SS..  trans-81.368.6179.5-151-91.8000111.6S57 K78S57-N59 PolarHBondContact O-N 2.93Å; N59-K78 HydrophobicContact CB-CB 4.36Å; N59-K78 PolarHBondContact O-N 3.03Å; N59-K78 WeakPolarHBondContact OD1-CB 3.22Å
60T92.5Very high89Confident30 Ų3085.9 Ų85.918%0.18442%0.423CS..EExtended strand (participates in β ladder)trans-115.4147.917174.60000109.9V50 C52 T58 F76 C77 W84V50-T60 VanDerWaalsContact O-CG2 3.28Å; V50-T60 WeakPolarHBondContact O-CG2 3.33Å; V50-T60 PolarHBondContact O-OG1 2.91Å; C52-T60 HydrophobicContact CB-CG2 3.78Å; T58-T60 PolarHBondContact O-N 3.12Å; T60-F76 CarbonylContact C-O 3.51Å; T60-F76 VanDerWaalsContact CA-O 3.29Å; T60-F76 WeakPolarHBondContact CA-O 3.24Å; T60-C77 HydrophobicContact CG2-CB 4.11Å; T60-W84 HydrophobicContact CG2-CZ2 3.74Å
61K92.9Very high89.3Confident147 Ų14789 Ų8964%0.63945%0.447SS*.EExtended strand (participates in β ladder)trans-131.7137.3175.4-163.8-170173.4177.80109H75 F76K61-H75 CarbonylContact O-C 3.57Å; K61-H75 VanDerWaalsContact O-CA 3.29Å; K61-H75 WeakPolarHBondContact O-CA 3.42Å; K61-F76 PolarHBondContact N-O 3.22Å; K61-F76 PolarHBondContact O-N 3.36Å
62F92.4Very high89.3Confident88 Ų8886.7 Ų86.739%0.38644%0.438SS..EExtended strand (participates in β ladder)trans-56.1139.7163.7173.7-97.7000110Y65 P73F62-Y65 HydrophobicContact CE1-CE2 4.35Å; F62-Y65 HydrophobicContact CE2-CD1 4.08Å; F62-Y65 HydrophobicContact CE2-CD2 4.44Å; F62-Y65 AromaticContact CE2-CE1 3.83Å; F62-Y65 HydrophobicContact CE2-CE1 3.83Å; F62-Y65 HydrophobicContact CE2-CE2 4.21Å; F62-Y65 HydrophobicContact CE2-CG 4.39Å; F62-Y65 AromaticContact CE2-CZ 3.89Å; F62-Y65 HydrophobicContact CZ-CD1 4.21Å; F62-Y65 AromaticContact CZ-CD2 3.76Å; F62-Y65 HydrophobicContact CZ-CD2 3.76Å; F62-Y65 HydrophobicContact CZ-CE1 4.01Å; F62-Y65 AromaticContact CZ-CE2 3.52Å; F62-Y65 HydrophobicContact CZ-CE2 3.52Å; F62-Y65 HydrophobicContact CZ-CG 4.1Å; F62-Y65 AromaticContact CZ-CZ 3.65Å; F62-P73 HydrophobicContact CD2-CB 3.86Å; F62-P73 HydrophobicContact CE2-CB 3.64Å
63C93Very high89.3Confident61 Ų6188.1 Ų88.141%0.41245%0.447SS..EExtended strand (participates in β ladder)trans-122-52.9-175.3-161.20000112.8R74 F76 Y83C63-R74 PolarHBondContact N-O 3.03Å; C63-F76 HydrophobicContact CB-CB 4.49Å; C63-Y83 HydrophobicContact CB-CE1 4.29Å
64Y94.3Very high89.6Confident105 Ų10587.4 Ų87.441%0.41244%0.436SS..EExtended strand (participates in β ladder)trans-168.8166.7178.161.7-80.1000110.8R74 Y83Y64-R74 WeakPolarHBondContact O-CB 3.29Å; Y64-R74 PolarHBondContact O-N 2.98Å; Y64-R74 WeakPolarHBondContact OH-CD 3.45Å; Y64-Y83 HydrophobicContact CE1-CE1 4.31Å
65Y93.5Very high89.9Confident103 Ų10385.8 Ų85.840%0.40443%0.431SS..EExtended strand (participates in β ladder)trans-88.6139.1172.6-65.7-72.5000111.4F62 L70 P73F62-Y65 HydrophobicContact CE1-CE2 4.35Å; F62-Y65 HydrophobicContact CE2-CD1 4.08Å; F62-Y65 HydrophobicContact CE2-CD2 4.44Å; F62-Y65 AromaticContact CE2-CE1 3.83Å; F62-Y65 HydrophobicContact CE2-CE1 3.83Å; F62-Y65 HydrophobicContact CE2-CE2 4.21Å; F62-Y65 HydrophobicContact CE2-CG 4.39Å; F62-Y65 AromaticContact CE2-CZ 3.89Å; F62-Y65 HydrophobicContact CZ-CD1 4.21Å; F62-Y65 AromaticContact CZ-CD2 3.76Å; F62-Y65 HydrophobicContact CZ-CD2 3.76Å; F62-Y65 HydrophobicContact CZ-CE1 4.01Å; F62-Y65 AromaticContact CZ-CE2 3.52Å; F62-Y65 HydrophobicContact CZ-CE2 3.52Å; F62-Y65 HydrophobicContact CZ-CG 4.1Å; F62-Y65 AromaticContact CZ-CZ 3.65Å; Y65-L70 HydrophobicContact CD1-CD2 4.29Å; Y65-L70 WeakPolarHBondContact CD1-O 3.26Å; Y65-L70 HydrophobicContact CD2-CD2 3.66Å; Y65-L70 HydrophobicContact CE1-CD2 4.29Å; Y65-L70 VanDerWaalsContact CE1-O 3.24Å; Y65-L70 WeakPolarHBondContact CE1-O 3.4Å; Y65-L70 HydrophobicContact CE2-CD2 3.66Å; Y65-L70 HydrophobicContact CG-CD2 3.98Å; Y65-P73 HydrophobicContact CD1-CB 4.13Å; Y65-P73 HydrophobicContact CE1-CB 3.92Å
66N89.5Confident90.1Very high20 Ų2086 Ų8611%0.10743%0.425CS..G310 helixtrans-76.2136178.2-170.253.3000111.8Y68 N69 Q72 R74N66-Y68 PolarHBondContact O-N 2.77Å; N66-Y68 VanDerWaalsContact O-N 3.1Å; N66-N69 WeakPolarHBondContact O-CB 3.02Å; N66-N69 PolarHBondContact O-N 2.82Å; N66-Q72 HydrophobicContact CB-CB 4.03Å; N66-Q72 HydrophobicContact CB-CG 3.91Å; N66-Q72 PolarHBondContact N-O 3.16Å; N66-Q72 PolarHBondContact ND2-OE1 2.97Å; N66-R74 HydrophobicContact CB-CG 4.36Å; N66-R74 VanDerWaalsContact CG-NH2 3.34Å; N66-R74 VanDerWaalsContact OD1-CZ 3.26Å; N66-R74 PolarHBondContact OD1-NE 3.04Å; N66-R74 PolarHBondContact OD1-NH2 2.92Å
67N85.1Confident90.3Very high131 Ų13180 Ų8070%0.70140%0.397SS*.G310 helixtrans5133.1175.8-58.3-19.1000113.9N69N67-N69 PolarHBondContact O-N 3.28Å
68Y83.1Confident90.5Very high229 Ų22985.3 Ų85.390%0.89842%0.417SS*.G310 helixtrans58.59.2-171.7-50.4-84.8000115.3N66 L70N66-Y68 PolarHBondContact O-N 2.77Å; N66-Y68 VanDerWaalsContact O-N 3.1Å; Y68-L70 PolarHBondContact O-N 3.39Å
69N83Confident90.4Very high78 Ų7883.7 Ų83.742%0.41741%0.41SS..  trans-86.4112.7178.5-176.3-0.9000111.1N66 N67 S71 Q72N66-N69 WeakPolarHBondContact O-CB 3.02Å; N66-N69 PolarHBondContact O-N 2.82Å; N67-N69 PolarHBondContact O-N 3.28Å; N69-S71 PolarHBondContact ND2-OG 3.16Å; N69-S71 VanDerWaalsContact ND2-OG 3.14Å; N69-S71 PolarHBondContact O-N 2.87Å; N69-S71 PolarHBondContact OD1-N 2.86Å; N69-S71 PolarHBondContact OD1-OG 3.19Å; N69-Q72 PolarHBondContact O-N 3.34Å; N69-Q72 VanDerWaalsContact O-N 3.09Å
70L87Confident90.4Very high125 Ų12580.9 Ų80.965%0.65440%0.398SS*.THydrogen-bonded Turntrans-59.9-24.7178.5-59.8179.7000113.4Y65 Y68 Q72Y65-L70 HydrophobicContact CD1-CD2 4.29Å; Y65-L70 WeakPolarHBondContact CD1-O 3.26Å; Y65-L70 HydrophobicContact CD2-CD2 3.66Å; Y65-L70 HydrophobicContact CE1-CD2 4.29Å; Y65-L70 VanDerWaalsContact CE1-O 3.24Å; Y65-L70 WeakPolarHBondContact CE1-O 3.4Å; Y65-L70 HydrophobicContact CE2-CD2 3.66Å; Y65-L70 HydrophobicContact CG-CD2 3.98Å; Y68-L70 PolarHBondContact O-N 3.39Å; L70-Q72 PolarHBondContact O-N 2.78Å
71S88Confident90.4Very high96 Ų9689.4 Ų89.467%0.67143%0.426SS*.THydrogen-bonded Turntrans-76.5-3.9177.376.80000114.3N69 P73N69-S71 PolarHBondContact ND2-OG 3.16Å; N69-S71 VanDerWaalsContact ND2-OG 3.14Å; N69-S71 PolarHBondContact O-N 2.87Å; N69-S71 PolarHBondContact OD1-N 2.86Å; N69-S71 PolarHBondContact OD1-OG 3.19Å; S71-P73 WeakPolarHBondContact O-CD 3.29Å
72Q87.9Confident90.3Very high74 Ų7486.8 Ų86.835%0.34641%0.413SS..  trans-122.767.6-179.8-160.1175.122.700113.6N66 N69 L70 R74 T85N66-Q72 HydrophobicContact CB-CB 4.03Å; N66-Q72 HydrophobicContact CB-CG 3.91Å; N66-Q72 PolarHBondContact N-O 3.16Å; N66-Q72 PolarHBondContact ND2-OE1 2.97Å; N69-Q72 PolarHBondContact O-N 3.34Å; N69-Q72 VanDerWaalsContact O-N 3.09Å; L70-Q72 PolarHBondContact O-N 2.78Å; Q72-R74 PolarHBondContact O-N 2.99Å; Q72-T85 HydrophobicContact CG-CG2 4.39Å
73P91.3Very high90.3Very high30 Ų3087.9 Ų87.920%0.19542%0.415CS..EExtended strand (participates in β ladder)trans-70.5120.2179.128.6-35.3000112.7F62 Y65 S71 H75F62-P73 HydrophobicContact CD2-CB 3.86Å; F62-P73 HydrophobicContact CE2-CB 3.64Å; Y65-P73 HydrophobicContact CD1-CB 4.13Å; Y65-P73 HydrophobicContact CE1-CB 3.92Å; S71-P73 WeakPolarHBondContact O-CD 3.29Å; P73-H75 PolarHBondContact O-ND1 2.72Å
74R92Very high90.1Very high48 Ų4885.7 Ų85.718%0.18140%0.398CS..EExtended strand (participates in β ladder)trans-88.3131.2174.3-65172.3171.1-84.29110.6C63 Y64 N66 Q72 T85C63-R74 PolarHBondContact N-O 3.03Å; Y64-R74 WeakPolarHBondContact O-CB 3.29Å; Y64-R74 PolarHBondContact O-N 2.98Å; Y64-R74 WeakPolarHBondContact OH-CD 3.45Å; N66-R74 HydrophobicContact CB-CG 4.36Å; N66-R74 VanDerWaalsContact CG-NH2 3.34Å; N66-R74 VanDerWaalsContact OD1-CZ 3.26Å; N66-R74 PolarHBondContact OD1-NE 3.04Å; N66-R74 PolarHBondContact OD1-NH2 2.92Å; Q72-R74 PolarHBondContact O-N 2.99Å; R74-T85 HydrophobicContact CG-CG2 4.02Å
75H93.2Very high89.9Confident21 Ų2182.3 Ų82.310%0.09739%0.388CS..EExtended strand (participates in β ladder)trans-112.9137.4178.5-66.468.6000109.6K61 P73 Y83 W84K61-H75 CarbonylContact O-C 3.57Å; K61-H75 VanDerWaalsContact O-CA 3.29Å; K61-H75 WeakPolarHBondContact O-CA 3.42Å; P73-H75 PolarHBondContact O-ND1 2.72Å; H75-Y83 CarbonylContact O-C 3.59Å; H75-Y83 WeakPolarHBondContact O-CA 3.48Å; H75-W84 HydrophobicContact CB-CD2 4.01Å; H75-W84 HydrophobicContact CB-CH2 3.79Å; H75-W84 HydrophobicContact CB-CZ2 3.23Å; H75-W84 HydrophobicContact CB-CZ3 4.47Å; H75-W84 AromaticContact CD2-CH2 3.84Å; H75-W84 AromaticContact CD2-CZ2 3.79Å; H75-W84 AromaticContact CG-CH2 3.66Å; H75-W84 AromaticContact CG-CZ2 3.57Å; H75-W84 PolarHBondContact N-O 2.91Å; H75-W84 PolarHBondContact O-N 3.24Å
76F92.8Very high89.4Confident60 Ų6081.1 Ų81.126%0.26339%0.385SS..EExtended strand (participates in β ladder)trans-96.8128.9170.9-178.1-103.4000109.5T60 K61 C63 K78 R81 Y83T60-F76 CarbonylContact C-O 3.51Å; T60-F76 VanDerWaalsContact CA-O 3.29Å; T60-F76 WeakPolarHBondContact CA-O 3.24Å; K61-F76 PolarHBondContact N-O 3.22Å; K61-F76 PolarHBondContact O-N 3.36Å; C63-F76 HydrophobicContact CB-CB 4.49Å; F76-K78 HydrophobicContact CE1-CD 4.36Å; F76-R81 HydrophobicContact CZ-CB 4.21Å; F76-Y83 HydrophobicContact CB-CD1 4Å; F76-Y83 HydrophobicContact CB-CE1 3.88Å; F76-Y83 AromaticContact CD2-CD1 3.89Å; F76-Y83 HydrophobicContact CD2-CD1 3.89Å; F76-Y83 HydrophobicContact CD2-CD2 4.44Å; F76-Y83 AromaticContact CD2-CE1 3.61Å; F76-Y83 HydrophobicContact CD2-CE1 3.61Å; F76-Y83 HydrophobicContact CD2-CE2 4.18Å; F76-Y83 HydrophobicContact CD2-CG 4.3Å; F76-Y83 AromaticContact CD2-CZ 3.76Å; F76-Y83 HydrophobicContact CG-CD1 4.46Å; F76-Y83 HydrophobicContact CG-CE1 4.16Å
77C93.5Very high88.9Confident0 Ų084.4 Ų84.40%042%0.423CS..EExtended strand (participates in β ladder)trans-97.2123171.8177.90000110.3C52 C55 S57 T60 S79 C80 R81 R82C52-C77 HydrophobicContact CB-CB 3.86Å; C52-C77 WeakPolarHBondContact CB-SG 3.28Å; C52-C77 VanDerWaalsContact SG-CB 3.54Å; C52-C77 VanDerWaalsContact SG-SG 3.69Å; C55-C77 VanDerWaalsContact SG-SG 3.65Å; S57-C77 PolarHBondContact OG-SG 2.94Å; T60-C77 HydrophobicContact CG2-CB 4.11Å; C77-S79 PolarHBondContact SG-OG 3.49Å; C77-C80 VanDerWaalsContact CB-SG 3.58Å; C77-R81 WeakPolarHBondContact O-CA 3.43Å; C77-R81 PolarHBondContact O-N 3.1Å; C77-R82 PolarHBondContact N-O 3.39Å; C77-R82 VanDerWaalsContact N-O 3.11Å; C77-R82 PolarHBondContact O-N 3.06Å
78K92.3Very high88.5Confident140 Ų14080 Ų8061%0.60941%0.409SS*.THydrogen-bonded Turntrans-69.2-37.5-176-169.775.7171.8-166.80112.9N59 F76N59-K78 HydrophobicContact CB-CB 4.36Å; N59-K78 PolarHBondContact O-N 3.03Å; N59-K78 WeakPolarHBondContact OD1-CB 3.22Å; F76-K78 HydrophobicContact CE1-CD 4.36Å
79S91.6Very high87.8Confident70 Ų7075.2 Ų75.249%0.4940%0.404SS..THydrogen-bonded Turntrans-70.9-48.6-175.857.70000112.4C55 S57 C77C55-S79 PolarHBondContact SG-OG 2.95Å; S57-S79 WeakPolarHBondContact CB-OG 3.45Å; S57-S79 PolarHBondContact OG-OG 2.85Å; C77-S79 PolarHBondContact SG-OG 3.49Å
80C90.3Very high87.2Confident42 Ų4274 Ų7428%0.28440%0.397SS..THydrogen-bonded Turntrans-89.4-1.1175.572.20000114.6C55 C77 R82C55-C80 HydrophobicContact CB-CB 4.46Å; C77-C80 VanDerWaalsContact CB-SG 3.58Å; C80-R82 PolarHBondContact O-N 2.87Å
81R91.9Very high86.6Confident209 Ų20977.5 Ų77.579%0.78940%0.401SS*.THydrogen-bonded Turntrans48.739.9-177.3-58.8-175.5-178-174.90.2113.7F76 C77F76-R81 HydrophobicContact CZ-CB 4.21Å; C77-R81 WeakPolarHBondContact O-CA 3.43Å; C77-R81 PolarHBondContact O-N 3.1Å
82R90.6Very high85Confident93 Ų9380.6 Ų80.635%0.35141%0.41SS..EExtended strand (participates in β ladder)trans-135139.3-169.8-138.4168.3173.2-163.10.8111.3C77 C80C77-R82 PolarHBondContact N-O 3.39Å; C77-R82 VanDerWaalsContact N-O 3.11Å; C77-R82 PolarHBondContact O-N 3.06Å; C80-R82 PolarHBondContact O-N 2.87Å
83Y91.8Very high83.5Confident111 Ų11179.2 Ų79.244%0.43541%0.407SS..EExtended strand (participates in β ladder)trans-75.5145.1173.3-59.6-81.4000111.6R54 C63 Y64 H75 F76R54-Y83 PolarHBondContact NH1-O 2.84Å; C63-Y83 HydrophobicContact CB-CE1 4.29Å; Y64-Y83 HydrophobicContact CE1-CE1 4.31Å; H75-Y83 CarbonylContact O-C 3.59Å; H75-Y83 WeakPolarHBondContact O-CA 3.48Å; F76-Y83 HydrophobicContact CB-CD1 4Å; F76-Y83 HydrophobicContact CB-CE1 3.88Å; F76-Y83 AromaticContact CD2-CD1 3.89Å; F76-Y83 HydrophobicContact CD2-CD1 3.89Å; F76-Y83 HydrophobicContact CD2-CD2 4.44Å; F76-Y83 AromaticContact CD2-CE1 3.61Å; F76-Y83 HydrophobicContact CD2-CE1 3.61Å; F76-Y83 HydrophobicContact CD2-CE2 4.18Å; F76-Y83 HydrophobicContact CD2-CG 4.3Å; F76-Y83 AromaticContact CD2-CZ 3.76Å; F76-Y83 HydrophobicContact CG-CD1 4.46Å; F76-Y83 HydrophobicContact CG-CE1 4.16Å
84W90Very high82.1Confident14 Ų1482.7 Ų82.75%0.05343%0.43CS..EExtended strand (participates in β ladder)trans-150.617517665.2-81.2000109.5V50 P53 T60 H75 K86V50-W84 HydrophobicContact CB-CH2 3.64Å; V50-W84 HydrophobicContact CB-CZ2 4.27Å; V50-W84 HydrophobicContact CG1-CH2 3.33Å; V50-W84 HydrophobicContact CG1-CZ2 4.32Å; V50-W84 HydrophobicContact CG1-CZ3 3.83Å; P53-W84 HydrophobicContact CG-CE3 4.26Å; T60-W84 HydrophobicContact CG2-CZ2 3.74Å; H75-W84 HydrophobicContact CB-CD2 4.01Å; H75-W84 HydrophobicContact CB-CH2 3.79Å; H75-W84 HydrophobicContact CB-CZ2 3.23Å; H75-W84 HydrophobicContact CB-CZ3 4.47Å; H75-W84 AromaticContact CD2-CH2 3.84Å; H75-W84 AromaticContact CD2-CZ2 3.79Å; H75-W84 AromaticContact CG-CH2 3.66Å; H75-W84 AromaticContact CG-CZ2 3.57Å; H75-W84 PolarHBondContact N-O 2.91Å; H75-W84 PolarHBondContact O-N 3.24Å; W84-K86 HydrophobicContact CH2-CB 4.48Å; W84-K86 HydrophobicContact CZ3-CB 4.09Å
85T90.4Very high80.5Confident34 Ų3486.7 Ų86.721%0.20946%0.459CS..EExtended strand (participates in β ladder)trans-135.3136.4-176.445.20000109.9Q72 R74Q72-T85 HydrophobicContact CG-CG2 4.39Å; R74-T85 HydrophobicContact CG-CG2 4.02Å
86K83.2Confident79Confident79 Ų7989.1 Ų89.134%0.34349%0.489SS..SBendtrans-67.9138.2174-169.4179.8-166.71730109.8E48 V50 W84 G88E48-K86 IonicContact OE1-NZ 2.65Å; E48-K86 PolarHBondContact OE1-NZ 3.11Å; E48-K86 IonicContact OE2-NZ 2.69Å; E48-K86 PolarHBondContact OE2-NZ 3.22Å; V50-K86 HydrophobicContact CG1-CD 4.1Å; V50-K86 HydrophobicContact CG1-CG 4.01Å; V50-K86 HydrophobicContact CG2-CD 3.87Å; W84-K86 HydrophobicContact CH2-CB 4.48Å; W84-K86 HydrophobicContact CZ3-CB 4.09Å; K86-G88 PolarHBondContact O-N 2.98Å
87G79.2Confident77.5Confident88 Ų8889.2 Ų89.291%0.90751%0.507SS*.SBendtrans69-16.2178.600000116.6
88G76.3Confident76Confident39 Ų3991.7 Ų91.740%0.40253%0.533SS..SBendtrans-74.1139.617600000112.1K86 L90K86-G88 PolarHBondContact O-N 2.98Å; G88-L90 PolarHBondContact O-N 2.96Å
89V67.8Low74.4Confident129 Ų12990.8 Ų90.878%0.78254%0.543SS*.  trans-52.1116.5167.1177.10000108.1R91V89-R91 PolarHBondContact O-N 3.09Å
90L70.8Confident72.9Confident51 Ų5199.1 Ų99.127%0.26756%0.564SS.*  trans-61.8110.3171.1-177.866.9000106.3R54 G88 N92R54-L90 HydrophobicContact CG-CD2 4.27Å; G88-L90 PolarHBondContact O-N 2.96Å; L90-N92 PolarHBondContact O-N 3.19Å
91R73.7Confident71.4Confident199 Ų199105.9 Ų105.975%0.75159%0.588SS**  trans-39.6121.7173.6-67.5-173.8-17782.7-0.3107.9V89 V93V89-R91 PolarHBondContact O-N 3.09Å; R91-V93 WeakPolarHBondContact O-CB 3.43Å; R91-V93 WeakPolarHBondContact O-CG2 3.18Å; R91-V93 PolarHBondContact O-N 3.31Å
92N55.2Low70Confident162 Ų162100 Ų10087%0.86658%0.584SS**SBendtrans-48.897.3-166.2-69.4-38000111L90L90-N92 PolarHBondContact O-N 3.19Å
93V54.9Low68.2Low44 Ų44104.2 Ų104.227%0.26761%0.605SS.*  trans-129.8111.4-176162.30000104.6R91 V95R91-V93 WeakPolarHBondContact O-CB 3.43Å; R91-V93 WeakPolarHBondContact O-CG2 3.18Å; R91-V93 PolarHBondContact O-N 3.31Å; V93-V95 PolarHBondContact O-N 3.14Å
94P62.9Low66.6Low104 Ų104110 Ų11068%0.67563%0.626SS**  trans-56.9137-178.421.8-32.3000110.3G96 G97P94-G96 VanDerWaalsContact C-N 3.3Å; P94-G96 PolarHBondContact O-N 3.18Å; P94-G97 PolarHBondContact O-N 3.31Å; P94-G97 VanDerWaalsContact O-N 3.16Å
95V59Low65.1Low132 Ų132113.9 Ų113.980%0.866%0.661SS**THydrogen-bonded Turntrans-65.689.7179.2-178.90000108.2V93V93-V95 PolarHBondContact O-N 3.14Å
96G61.4Low63.3Low71 Ų71116.1 Ų116.173%0.73268%0.678SS**THydrogen-bonded Turntrans153.4-27.5-174.800000114.7P94 G98P94-G96 VanDerWaalsContact C-N 3.3Å; P94-G96 PolarHBondContact O-N 3.18Å; G96-G98 VanDerWaalsContact C-N 3.27Å; G96-G98 PolarHBondContact O-N 2.9Å
97G60Low62.1Low62 Ų62118.2 Ų118.264%0.63970%0.699SS**THydrogen-bonded Turntrans-79.239-170.700000116.9P94P94-G97 PolarHBondContact O-N 3.31Å; P94-G97 VanDerWaalsContact O-N 3.16Å
98G63Low60.8Low52 Ų52118.4 Ų118.454%0.53669%0.687SS.*THydrogen-bonded Turntrans-139-24.5-162.400000119.6G96 R100G96-G98 VanDerWaalsContact C-N 3.27Å; G96-G98 PolarHBondContact O-N 2.9Å; G98-R100 PolarHBondContact O-N 2.83Å
99C58.7Low59.7Low122 Ų122121.4 Ų121.482%0.82471%0.708SS**  trans-93.390.6-179.8-166.90000110.4K101C99-K101 PolarHBondContact O-N 2.85Å
100R59.6Low59.1Low245 Ų245119.7 Ų119.793%0.92570%0.702SS**  trans-66.291.2162.2-68.8-172.9-176.1-172.11.4107.6G98 A102G98-R100 PolarHBondContact O-N 2.83Å; R100-A102 PolarHBondContact O-N 2.78Å
101K59.3Low58.2Low183 Ų183121.6 Ų121.680%0.79673%0.725SS**  trans-48.6126164.4178.275.878.6176.70106.3C99 K103C99-K101 PolarHBondContact O-N 2.85Å; K101-K103 PolarHBondContact O-N 2.81Å; K101-K103 VanDerWaalsContact O-N 3.16Å
102A62.5Low57.1Low85 Ų85117.5 Ų117.570%0.70273%0.727SS**  trans-51.1127.5176.800000108.5R100 R104R100-A102 PolarHBondContact O-N 2.78Å; A102-R104 PolarHBondContact O-N 2.92Å
103K52.1Low56.9Low183 Ų183114.5 Ų114.580%0.79672%0.724SS**  trans-53.7106177.8-173.7-178.3-178.9-170.70106.4K101 A105K101-K103 PolarHBondContact O-N 2.81Å; K101-K103 VanDerWaalsContact O-N 3.16Å; K103-A105 PolarHBondContact O-N 2.88Å
104R59.4Low57Low233 Ų233117 Ų11788%0.87974%0.744SS**  trans-50.8134.7164.4-76.6-166.7-177.5-154.44.1105.2A102 S106A102-R104 PolarHBondContact O-N 2.92Å; R104-S106 PolarHBondContact O-N 3.12Å; R104-S106 VanDerWaalsContact O-N 3.12Å
105A57.8Low56.7Low94 Ų94117.7 Ų117.778%0.77775%0.751SS**  trans-44.7126.9177.600000108.1K103K103-A105 PolarHBondContact O-N 2.88Å
106S52.3Low56.4Low82 Ų82117.4 Ų117.457%0.57375%0.752SS**  trans-54.1126.2175.840.70000107.1R104 S108R104-S106 PolarHBondContact O-N 3.12Å; R104-S106 VanDerWaalsContact O-N 3.12Å; S106-S108 PolarHBondContact O-N 2.73Å
107P58.4Low56Low122 Ų122118.9 Ų118.979%0.79276%0.757SS**  trans-58113.8161.626.4-30.4000104.9A109P107-A109 PolarHBondContact O-N 3.01Å
108S52.4Low55.8Low93 Ų93121.3 Ų121.365%0.6577%0.765SS**  trans-55.4118.1166.545.20000105.6S106 S110S106-S108 PolarHBondContact O-N 2.73Å; S108-S110 PolarHBondContact O-N 2.76Å
109A52.7Low55.5Low102 Ų102124.2 Ų124.284%0.84378%0.776SS**  trans-69.575.1170.100000107.5P107 A111P107-A109 PolarHBondContact O-N 3.01Å; A109-A111 PolarHBondContact O-N 3.46Å
110S54.6Low55.3Low92 Ų92124.1 Ų124.164%0.64378%0.777SS**  trans-58.1106.8166.6-56.40000105.5S108 S112S108-S110 PolarHBondContact O-N 2.76Å; S110-S112 PolarHBondContact O-N 3.2Å
111A52Low55.2Low91 Ų91117 Ų11775%0.75277%0.771SS**  trans-57.8109.4-171.600000109.9A109 A113A109-A111 PolarHBondContact O-N 3.46Å; A111-A113 PolarHBondContact O-N 3.36Å
112S51.6Low55Low114 Ų114113.9 Ų113.980%0.79777%0.769SS**  trans-72.762169.9-54.90000110S110 S114S110-S112 PolarHBondContact O-N 3.2Å; S112-S114 PolarHBondContact O-N 3.48Å; S112-S114 VanDerWaalsContact O-N 3.13Å
113A51.1Low54.5Low98 Ų98115.4 Ų115.481%0.8178%0.775SS**  trans-84.363.9170.600000109.1A111A111-A113 PolarHBondContact O-N 3.36Å
114S55.4Low54.5Low96 Ų96113 Ų11367%0.67178%0.776SS**  trans-120.6113.1175.2520000108.9S112S112-S114 PolarHBondContact O-N 3.48Å; S112-S114 VanDerWaalsContact O-N 3.13Å
115S57.9Low54.1Low120 Ų120107.7 Ų107.784%0.83977%0.771SS**  trans-55.8152.8-168-41.90000115.1
116P51.3Low53.5Low126 Ų126107.7 Ų107.782%0.81877%0.771SS**  -140.9120.2123.834.4-20.1000113
117A54.4Low53.4Low102 Ų102110 Ų11084%0.84379%0.788SS**  trans-153.474.1167.900000110.6
118S55.4Low52.8Low113 Ų113108.9 Ų108.979%0.7979%0.789SS**  trans-88.5111.6171.347.20000110.7
119S57.5Low52.7Low112 Ų112112.4 Ų112.478%0.78380%0.8SS**  trans176.1130138.932.90000113.9
120S53.2Low52.7Low121 Ų121111.5 Ų111.585%0.84679%0.793SS**  trans64.4100.8144.6-49.10000121
121A58.6Low52.6Low95 Ų95111 Ų11179%0.78579%0.794SS**  trans-74.8167.5149.600000110.2
122P53.4Low53Low118 Ų118116.4 Ų116.477%0.76680%0.801SS**  -149.3158.264.538.3-17.2000118.8
123S53.7Low53.1Low116 Ų116117.9 Ų117.981%0.81180%0.8SS**  trans58.8116142-54.20000123.8
124T51.6Low53.4Low134 Ų134117.5 Ų117.582%0.82279%0.789SS**  trans-49.5161.6153.144.60000114.1
125P50.3Low53.1Low121 Ų121123.7 Ų123.779%0.78680%0.798SS**  -152.3155.26241-19000121.6
126A46.7Very low52.8Low94 Ų94129.1 Ų129.178%0.77780%0.799SS**  trans29.5123.7140.500000122
127S49.1Very low52.6Low131 Ų131126.9 Ų126.992%0.91679%0.792SS**  -160.4139121.3-800000109.6
128A46.8Very low52.4Low98 Ų98127.4 Ų127.481%0.8179%0.789SS**  trans-128.2127.1176.300000108.6
129D50.3Low52.2Low167 Ų167126.3 Ų126.389%0.89379%0.787SS**  trans-154.1159.3163.8-134.4-44.2000114
130A51.1Low52.2Low83 Ų83126.5 Ų126.569%0.68679%0.788SS**  trans-25.3142.6-175.100000121.4
131A53.2Low52.2Low82 Ų82126.8 Ų126.868%0.67879%0.788SS**  142.5125.1101.600000116.9
132K59.9Low52.1Low204 Ų204134 Ų13489%0.88779%0.794SS**  trans64.7100.1135.3-62170.6-176.5171.70121.1
133N53.4Low52.2Low145 Ų145134.1 Ų134.178%0.77580%0.798SS**  trans-31.6169.4136.5-155.128000114.6
134P57.2Low52.5Low90 Ų90136.2 Ų136.258%0.58480%0.8SS**  cis-137.8172.20.413.914.7000119
135R50.8Low52.4Low226 Ų226135.8 Ų135.885%0.85380%0.802SS**  trans45.7132.2142.4-59.9167.5-163.6-83.43.1121
136R50.2Low52.4Low233 Ų233133.7 Ų133.788%0.87980%0.803SS**  157.9136.7107.5-172.9174.3-154-90.52.4113.8
137A48.7Very low52.5Low79 Ų79135.4 Ų135.465%0.65381%0.809SS**  trans63.1154.4161.800000117.7
138S50.2Low52.5Low113 Ų113134 Ų13479%0.7981%0.806SS**  cis-163.5163.5-14.2-103.80000110.5
139A51.1Low52.7Low90 Ų90134.9 Ų134.974%0.74481%0.806SS**  trans61.5111.2154.600000120.4
140S56.7Low53Low116 Ų116132.3 Ų132.381%0.81180%0.798SS**  167.9123.2107.9-74.70000113.2
141P54.1Low52.7Low128 Ų128134.8 Ų134.883%0.83181%0.805SS**  trans-116.3139149.734.9-25.3000110.7
142R56.3Low52.4Low246 Ų246135.2 Ų135.293%0.92881%0.809SS**  trans-124.8112.8173.9-89.7-179.4155.1-115.8-1.1110.8
143S54.4Low51.8Low121 Ų121130.4 Ų130.485%0.84681%0.807SS**  trans-71.8150.6167.5-51.60000110.6
144N60.7Low51.4Low159 Ų159128.3 Ų128.385%0.8581%0.81SS**  trans-132.5108.8172-152.277.5000110.2
145S48.3Very low50.9Low125 Ų125128.4 Ų128.487%0.87482%0.818SS**  trans-128.7129.4166.8-63.10000107.7
146G50.9Low50.8Low78 Ų78124.4 Ų124.480%0.80482%0.819SS**  trans-158.1107-177.900000110
147S49.8Very low50.9Low129 Ų129119.4 Ų119.490%0.90282%0.815SS**  trans-86.7142179.4-49.20000111.2
148A47.7Very low50.8Low103 Ų103120.7 Ų120.785%0.85182%0.816SS**  trans-165.5139149.200000111.5
149S51.5Low50.8Low115 Ų115121.8 Ų121.880%0.80482%0.819SS**  trans-108.6-163.1175.6-50.10000109.1
150P56.4Low50.5Low113 Ų113123.3 Ų123.373%0.73482%0.821SS**  -129.9-166.9-61.829.7-9.4000113.2
151T46.5Very low50.3Low136 Ų136124.9 Ų124.983%0.83483%0.825SS**  trans89.1112.1147.1-1.10000122
152A46.6Very low49.8Very low91 Ų91125.9 Ų125.975%0.75282%0.824SS**  trans-176.4123.9142.100000107
153A46.4Very low49.6Very low103 Ų103119.2 Ų119.285%0.85181%0.812SS**  57.5131.282.800000113.7
154A44.7Very low49.1Very low101 Ų101118.3 Ų118.384%0.83581%0.806SS**  cis-156.9-174.9-300000111.3
155A46.5Very low48.3Very low91 Ų91116.5 Ų116.575%0.75280%0.801SS**  trans-49.1155.7-174.400000118.5
156T48.6Very low48.1Very low142 Ų142115.6 Ų115.687%0.87180%0.795SS**  -165.7138.3117.1-60.30000110.5
157T52Low47.9Very low129 Ų129115.8 Ų115.879%0.79179%0.789SS**  trans-113.3-168.5175.743.40000110.1
158P48Very low48Very low105 Ų105116.3 Ų116.368%0.68279%0.787SS**  -125.8-178.5-66.637.9-22.6000112
159T49.5Very low48Very low137 Ų137116.9 Ų116.984%0.8478%0.782SS**  163.7152.312736.60000113.5
160P45.4Very low47.6Very low121 Ų121117.4 Ų117.479%0.78679%0.785SS**  trans-114.2165.5178.741.3-31.9000114.5
161T52.2Low47.2Very low149 Ų149117.1 Ų117.191%0.91479%0.786SS**  trans-139.7147.816437.60000111.5
162D42.7Very low47.5Very low150 Ų150118.9 Ų118.980%0.80279%0.79SS**  trans-141.1-159.8-169-162.516.5000109.3
163P53.2Low47.3Very low105 Ų105118.1 Ų118.168%0.68279%0.791SS**  -103.2-179.3-101.732.3-17.3000115.7
164S43.8Very low47.4Very low103 Ų103120.3 Ų120.372%0.7279%0.794SS**  157.5158.4121.8-176.60000114.8
165T44.7Very low47.2Very low121 Ų121120.2 Ų120.274%0.74279%0.793SS**  trans83.2137152.5-24.20000116.9
166S44.2Very low47.1Very low106 Ų106125.4 Ų125.474%0.74180%0.799SS**  cis-168.7175.1-26.8-92.70000109.9
167A45Very low46.8Very low82 Ų82124.8 Ų124.868%0.67880%0.796SS**  trans86.289.4149.200000122.1
168T52.7Low46.2Very low140 Ų140122 Ų12286%0.85979%0.792SS**  61.8157.7116.244.40000123.6
169P47.9Very low45.9Very low114 Ų114122.1 Ų122.174%0.7480%0.795SS**  trans-116.6178.2-145.943.9-35.5000116
170S43.8Very low45.9Very low126 Ų126123.9 Ų123.988%0.88179%0.794SS**  trans-149.4151.8153.9-88.80000114.4
171S47.5Very low46Very low108 Ų108126.5 Ų126.576%0.75580%0.795SS**  trans-80.2154.9-170.2-44.90000113
172N52Low45.5Very low172 Ų172124.7 Ų124.792%0.9279%0.788SS**  trans-153.1115.2147.7-93.6-38.3000109.1
173G42.4Very low45.9Very low75 Ų75123 Ų12377%0.77379%0.788SS**  trans-101.7138.3172.800000110
174V49.5Very low45.4Very low149 Ų149125.9 Ų125.990%0.90380%0.798SS**  trans-128120.3166.8-74.20000108.6
175A40.2Very low46Very low100 Ų100126.5 Ų126.583%0.82680%0.8SS**  trans-83.8142.916900000108.8
176F42.8Very low45.7Very low199 Ų199129.8 Ų129.887%0.87380%0.804SS**  trans-135.6112.6161.6-158.7-95.9000110.2
177T42.9Very low45.8Very low130 Ų130129 Ų12980%0.79880%0.798SS**  trans-81.7135.5169.848.20000109.5
178G39.5Very low45.6Very low69 Ų69131.1 Ų131.171%0.71180%0.803SS**  trans-175.690.9176.200000113
179S42Very low45.6Very low108 Ų108131.5 Ų131.576%0.75580%0.799SS**  trans-63.4162.3163.8-54.50000111
180H49.5Very low45.2Very low175 Ų175133.2 Ų133.281%0.8180%0.801SS**  trans163.5137.7131.4-85.9-63.9000111.9
181H46.6Very low45.3Very low175 Ų175132.7 Ų132.781%0.8179%0.793SS**  trans54.3114.3168.1-76.2-92.3000118.7
182S43.1Very low45.1Very low111 Ų111132.5 Ų132.578%0.77680%0.798SS**  cis78.197.537-160.50000115.5
183S50.9Low44.8Very low114 Ų114128.4 Ų128.480%0.79779%0.788SS**  trans-167113.114944.30000111.7
184N42.6Very low45.5Very low166 Ų166129.3 Ų129.389%0.88879%0.788SS**  trans-119.3131.5166.1-82.6-5.2000108.8
185P56.7Low46.3Very low117 Ų117127.9 Ų127.976%0.7678%0.782SS**  trans-97.4124.2149.633.6-25.2000108.3
186F38.9Very low47.7Very low189 Ų189129.1 Ų129.183%0.82978%0.781SS**  48114.575.9-146.8-105.3000111
187S45.1Very low48.7Very low89 Ų89123.5 Ų123.562%0.62277%0.771SS**  -157.6152.754.6-45.80000112.7
188T42Very low50Low127 Ų127123.1 Ų123.178%0.77977%0.771SS**  trans-66.7131.9161.1-60.90000110.6
189I51.7Low51.2Low149 Ų149127.3 Ų127.376%0.76478%0.776SS**  trans-131119155.1-66.9-178.3000107.3V191I189-V191 HydrophobicContact CG2-CG2 3.93Å
190D39.7Very low51.9Low149 Ų149130.2 Ų130.280%0.79778%0.775SS**  trans-102.7106176.3-158.6-40.3000107.5
191V46.6Very low52.2Low115 Ų115126.5 Ų126.570%0.69777%0.774SS**  trans-142.7113.7171.1178.30000108.7I189 A193I189-V191 HydrophobicContact CG2-CG2 3.93Å; V191-A193 PolarHBondContact O-N 2.65Å
192A43.3Very low52.8Low104 Ų104125 Ų12586%0.8677%0.772SS**  trans-64.4115170.400000110.9
193A45.6Very low53.5Low87 Ų87126.1 Ų126.172%0.71977%0.765SS**  trans-143.7125.8166.300000109.1V191V191-A193 PolarHBondContact O-N 2.65Å
194A56.4Low53.7Low93 Ų93124.3 Ų124.377%0.76976%0.757SS**PPolyproline II helixtrans-64.6146.5-177.700000111.7
195P66.1Low54.5Low120 Ų120119.6 Ų119.678%0.77974%0.742SS**PPolyproline II helixtrans-65.7136.5179.127.2-34.2000111
196P69Low54.6Low125 Ų125117.4 Ų117.481%0.81273%0.733SS**PPolyproline II helixtrans-67.2143.2175.928.1-34.2000111.2
197A65.7Low55.5Low81 Ų81113.8 Ų113.867%0.66972%0.722SS**PPolyproline II helixtrans-63.4147-178.700000112.6I199A197-I199 PolarHBondContact O-N 2.69Å; A197-I199 VanDerWaalsContact O-N 3.12Å
198P68.5Low56.2Low122 Ų122112.6 Ų112.679%0.79272%0.718SS**  trans-71.9105.9-179.228.7-34.5000112F200P198-F200 PolarHBondContact O-N 3.09Å
199I65.1Low57.2Low158 Ų158111.2 Ų111.281%0.8171%0.713SS**  trans-76.131.9178.152.5172.2000114.7A197A197-I199 PolarHBondContact O-N 2.69Å; A197-I199 VanDerWaalsContact O-N 3.12Å
200F56.4Low57.9Low169 Ų169110.6 Ų110.674%0.74171%0.711SS**  trans-128.464.3178.8-86-84.4000111.8P198P198-F200 PolarHBondContact O-N 3.09Å
201A57Low59.5Low96 Ų96112.4 Ų112.479%0.79371%0.712SS**  trans-98.8-10.5177.400000114.6
202D58.1Low60.5Low143 Ų143110 Ų11077%0.76571%0.705SS**SBendtrans-98.3-17.2-162.7-163.552.8000115.6A204D202-A204 VanDerWaalsContact C-N 3.34Å; D202-A204 PolarHBondContact O-N 3.29Å
203Q57.4Low62.1Low135 Ų135110.5 Ų110.563%0.63170%0.699SS**Hα-helixtrans-83-4.2-172.5-58.9-157.24.500115.1
204A56.4Low63.7Low76 Ų76112 Ų11263%0.62870%0.701SS**Hα-helixtrans-68.2-35.6177.700000112.8D202 L207 A208D202-A204 VanDerWaalsContact C-N 3.34Å; D202-A204 PolarHBondContact O-N 3.29Å; A204-L207 PolarHBondContact O-N 2.9Å; A204-A208 PolarHBondContact O-N 3Å
205A59Low64.9Low68 Ų68113 Ų11356%0.56270%0.7SS**Hα-helixtrans-67-39.3179.900000112.3L207 A208A205-L207 VanDerWaalsContact C-N 3.29Å; A205-L207 PolarHBondContact O-N 2.84Å; A205-A208 PolarHBondContact O-N 3.42Å
206A58.4Low65.6Low70 Ų70112.8 Ų112.858%0.57970%0.699SS**Hα-helixtrans-64.9-29.7-179.800000113.4
207L57.5Low66.1Low113 Ų113112 Ų11259%0.59269%0.694SS**Hα-helixtrans-84.8-24.1177.3-62-179.4000113A204 A205 S209 L210A204-L207 PolarHBondContact O-N 2.9Å; A205-L207 VanDerWaalsContact C-N 3.29Å; A205-L207 PolarHBondContact O-N 2.84Å; L207-S209 VanDerWaalsContact C-N 3.33Å; L207-S209 PolarHBondContact O-N 3.21Å; L207-L210 HydrophobicContact CD2-CD1 4.26Å; L207-L210 PolarHBondContact O-N 2.8Å
208A60.6Low66.6Low65 Ų65114.4 Ų114.454%0.53770%0.702SS.*Hα-helixtrans-63.6-38.2176.500000112.1A204 A205 L210 F211 A212A204-A208 PolarHBondContact O-N 3Å; A205-A208 PolarHBondContact O-N 3.42Å; A208-L210 PolarHBondContact O-N 3.28Å; A208-F211 PolarHBondContact O-N 3.48Å; A208-A212 PolarHBondContact O-N 2.61Å
209S63.4Low66.8Low98 Ų98115.8 Ų115.869%0.68570%0.702SS**THydrogen-bonded Turntrans-67.4-18.7178-590000114.5L207L207-S209 VanDerWaalsContact C-N 3.33Å; L207-S209 PolarHBondContact O-N 3.21Å
210L66.6Low67Low136 Ų136113 Ų11371%0.71270%0.695SS**THydrogen-bonded Turntrans-79.8-15.8176-86.3158.9000113.7L207 A208L207-L210 HydrophobicContact CD2-CD1 4.26Å; L207-L210 PolarHBondContact O-N 2.8Å; A208-L210 PolarHBondContact O-N 3.28Å
211F72.1Confident67.3Low186 Ų186110.9 Ų110.982%0.81670%0.695SS**SBendtrans-116.76.5179.2-73.4-84000113.5A208A208-F211 PolarHBondContact O-N 3.48Å
212A68.4Low67.1Low66 Ų66115.6 Ų115.655%0.54570%0.698SS.*PPolyproline II helixtrans-64123.4172.500000109.8A208A208-A212 PolarHBondContact O-N 2.61Å
213P76.3Confident67Low114 Ų114113.8 Ų113.874%0.7470%0.696SS**PPolyproline II helixtrans-64.9143.817527.6-33.6000109.9
214P80.1Confident66.5Low117 Ų117116.9 Ų116.976%0.7671%0.708SS**PPolyproline II helixtrans-62.6145.1175.227.4-34.3000110.2
215P81.2Confident65.9Low116 Ų116117.1 Ų117.175%0.75371%0.71SS**PPolyproline II helixtrans-62.2145.2176.426.9-34.3000110.5
216P80.5Confident65.1Low115 Ų115118.6 Ų118.675%0.74772%0.722SS**PPolyproline II helixtrans-63.6146.7176.427.7-34.5000110.6
217P79.5Confident64.3Low109 Ų109119.9 Ų119.971%0.70873%0.733SS**PPolyproline II helixtrans-63148.8174.228-34.7000110.6L219P217-L219 PolarHBondContact O-N 2.84Å
218P76.9Confident63.8Low130 Ų130122.8 Ų122.884%0.84474%0.743SS**PPolyproline II helixtrans-62.7126.5177.526.5-33.8000110.1
219L71.7Confident62.9Low151 Ų151125 Ų12579%0.79175%0.752SS**PPolyproline II helixtrans-67.1144.9170.5-63.7177.3000109.6P217 V221P217-L219 PolarHBondContact O-N 2.84Å; L219-V221 PolarHBondContact O-N 3.43Å; L219-V221 VanDerWaalsContact O-N 3.07Å
220P70.5Confident62Low101 Ų101129.2 Ų129.266%0.65676%0.758SS**  trans-63.4113.7175.326.1-33.3000109.9F222P220-F222 HydrophobicContact CB-CE2 4.39Å; P220-F222 HydrophobicContact CG-CE2 4.38Å; P220-F222 PolarHBondContact O-N 3.08Å; P220-F222 VanDerWaalsContact O-N 3.07Å
221V61Low61.1Low124 Ų124131 Ų13175%0.75276%0.763SS**  trans-70.5100.8170.3177.70000107.9L219 S223L219-V221 PolarHBondContact O-N 3.43Å; L219-V221 VanDerWaalsContact O-N 3.07Å; V221-S223 VanDerWaalsContact C-N 3.26Å; V221-S223 PolarHBondContact O-N 3.5Å
222F53.5Low59.8Low194 Ų194131.2 Ų131.285%0.85177%0.766SS**  trans-75.183.9164.7-83.1-79.9000109.5P220 F224P220-F222 HydrophobicContact CB-CE2 4.39Å; P220-F222 HydrophobicContact CG-CE2 4.38Å; P220-F222 PolarHBondContact O-N 3.08Å; P220-F222 VanDerWaalsContact O-N 3.07Å; F222-F224 PolarHBondContact O-N 2.83Å; F222-F224 VanDerWaalsContact O-N 3.11Å
223S56.5Low58.6Low105 Ų105137 Ų13773%0.73478%0.782SS**  trans-7096.1164.1-67.80000109.2V221 A225V221-S223 VanDerWaalsContact C-N 3.26Å; V221-S223 PolarHBondContact O-N 3.5Å; S223-A225 PolarHBondContact O-N 3.4Å
224F45.6Very low56.9Low201 Ų201135.5 Ų135.588%0.88278%0.779SS**  trans-84106.2160-156.8-94.7000108.5F222F222-F224 PolarHBondContact O-N 2.83Å; F222-F224 VanDerWaalsContact O-N 3.11Å
225A45.6Very low55.4Low81 Ų81136.3 Ų136.367%0.66978%0.784SS**  trans-70.2152.7-179.900000111.4S223S223-A225 PolarHBondContact O-N 3.4Å
226A40.8Very low53.8Low98 Ų98136.5 Ų136.581%0.8178%0.784SS**  trans-65.5138.4-172.100000113.9
227A42.6Very low52Low97 Ų97138.1 Ų138.180%0.80279%0.786SS**  trans-129.8137.7152.500000108.1
228Q46.8Very low50.5Low174 Ų174138.5 Ų138.581%0.81379%0.791SS**  trans-83.6162.5-166.4-75.9-77.9-24.900112.9
229P42.2Very low49Very low112 Ų112141.6 Ų141.673%0.72779%0.794SS**  trans-88159.1-165.135.7-35.9000113.9
230K43.3Very low47.8Very low187 Ų187141.9 Ų141.981%0.81380%0.796SS**  trans-150.4110.6155.3-164.7169.4-178.4179.60112.7
231E47.7Very low46.5Very low172 Ų172144.4 Ų144.480%0.80480%0.799SS**  trans-9.1124.8148.3-52.1161.4134.200116.9
232E45.6Very low46Very low191 Ų191146.2 Ų146.289%0.89380%0.799SS**  trans-169.1129.3130.8-155.9145.983.200112.7
233E42.5Very low46Very low189 Ų189146.5 Ų146.588%0.88380%0.803SS**  trans32.9146.3153.5-140.5146.6103.100125.5
234A41.1Very low45.7Very low82 Ų82149.8 Ų149.868%0.67881%0.811SS**  trans-93.7171.3173.600000112
235P48.9Very low45.6Very low133 Ų133144.8 Ų144.886%0.86481%0.807SS**  -152.3-174.489.238.7-18.4000116.1
236T47.1Very low45.7Very low120 Ų120145.6 Ų145.674%0.73681%0.813SS**  trans-99.3149.2-16851.70000116.1
237N43.4Very low46.1Very low150 Ų150149.9 Ų149.980%0.80282%0.817SS**  trans38.6113.5145.1-65.4-44.4000120
238S47.8Very low46.3Very low116 Ų116149.9 Ų149.981%0.81182%0.817SS**  167.3119.4107.7-73.30000110.8
239E44.1Very low46.4Very low195 Ų195146 Ų14691%0.91181%0.814SS**  trans-149.793.7155.2-161.9118.492.700109.4
240L47.7Very low47Very low157 Ų157146.3 Ų146.382%0.82282%0.816SS**  trans-95145.3164-169.3157.8000106.3
241Q43.7Very low47.1Very low154 Ų154142.9 Ų142.972%0.7282%0.816SS**  trans102138.6163.4-136.5170.537.900116.5
242Q49.4Very low47.1Very low162 Ų162139.5 Ų139.576%0.75781%0.812SS**  trans76.9102.9166.4-46.4-178.625.100117.4
243H54.3Low47Very low201 Ų201135.7 Ų135.793%0.93181%0.806SS**  -159123.9115.2-102.1-163.3000110.5
244L48.7Very low47.1Very low174 Ų174134.1 Ų134.191%0.91181%0.809SS**  trans-131.6119.3-172.6172.587.2000107.3
245A44.7Very low47.3Very low95 Ų95134.9 Ų134.979%0.78581%0.809SS**  trans-178.3132.8156.700000114.2
246A47.7Very low47.2Very low98 Ų98136.7 Ų136.781%0.8181%0.806SS**  trans63.4148152.900000118
247Q49.6Very low47.1Very low188 Ų188137.6 Ų137.688%0.87981%0.806SS**  cis-135.1174.64.6-50.8167.231.700107.5
248A45.3Very low47.4Very low97 Ų97137.1 Ų137.180%0.80280%0.803SS**  cis-147.1-157.4500000109.7
249A50.4Low47.5Very low92 Ų92139.8 Ų139.876%0.7680%0.804SS**  trans-154.2-164.6175.200000109.6
250P54.7Low47.9Very low119 Ų119134.5 Ų134.577%0.77379%0.794SS**  cis-127.2-179.9-49.830.2-12.4000112.3
251S45.7Very low48Very low115 Ų115133 Ų13380%0.80479%0.793SS**  trans-173.8128.4141-82.40000114
252S46.3Very low48Very low102 Ų102135 Ų13571%0.71380%0.8SS**  trans21.3118.6153.456.20000120.7
253S43.7Very low47.6Very low111 Ų111131.7 Ų131.778%0.77680%0.8SS**  77.8105.752.678.60000116.4
254V46.1Very low46.9Very low155 Ų155127.4 Ų127.494%0.93979%0.793SS**  trans-157151144-930000108.7
255S45.1Very low46.9Very low99 Ų99126.8 Ų126.869%0.69279%0.79SS**  trans-100166.6-161.9-52.30000115.3
256E45.5Very low46.8Very low171 Ų171129 Ų12980%0.79979%0.789SS**  trans41.1120.2140.8-65160.9130.400117.6
257D45.8Very low46.5Very low138 Ų138128.4 Ų128.474%0.73878%0.783SS**  -169.3149.978.6-116-41.6000114.7
258I50.3Low46.4Very low141 Ų141123.8 Ų123.872%0.72378%0.777SS**  trans42.6137.2139.7-70.2165.1000122.7
259M48Very low46Very low172 Ų172123.4 Ų123.485%0.84778%0.783SS**  trans99.2101.6152.7-132.573.4152.600120.4
260A52.4Low46Very low83 Ų83126.7 Ų126.769%0.68679%0.786SS**  trans50.4133.6141.100000122.2F262A260-F262 PolarHBondContact O-N 3.37Å
261P51.1Low45.6Very low125 Ų125129.8 Ų129.881%0.81279%0.788SS**PPolyproline II helixtrans-71.1130.6165.431.5-32.6000110.4A263P261-A263 PolarHBondContact O-N 2.93Å
262F42.6Very low45.8Very low197 Ų197133.3 Ų133.386%0.86479%0.792SS**PPolyproline II helixtrans-67.4117.1174.955.1-82.2000110.5A260A260-F262 PolarHBondContact O-N 3.37Å
263A41.6Very low46Very low92 Ų92135.8 Ų135.876%0.7680%0.796SS**PPolyproline II helixtrans-79.9160.7152.500000109.2P261P261-A263 PolarHBondContact O-N 2.93Å
264S39.8Very low46Very low112 Ų112133.7 Ų133.778%0.78379%0.792SS**  trans82.888.2171.1-166.40000118.2
265L48.1Very low46.1Very low160 Ų160131.9 Ų131.984%0.83878%0.777SS**  trans-169.3135.9138.8-127.366.8000106.3
266D43.6Very low46.5Very low143 Ų143131.3 Ų131.377%0.76578%0.778SS**  cis-146.5-171.5-8-152.1-93.6000109.6
267A41.2Very low46.9Very low84 Ų84126.4 Ų126.469%0.69477%0.767SS**  trans-80.2179.2-169.200000115.5
268A47.8Very low47.3Very low91 Ų91123.8 Ų123.875%0.75276%0.759SS**  trans70.960.8169.100000117.1I270A268-I270 PolarHBondContact O-N 2.97Å
269G35.6Very low47.4Very low90 Ų90120 Ų12093%0.92875%0.749SS**  trans-63.899.5156.600000111
270I50.9Low47.8Very low161 Ų161114.7 Ų114.783%0.82673%0.733SS**  trans-124.774177.8-145.1167.9000110.6A268A268-I270 PolarHBondContact O-N 2.97Å
271F46.6Very low48Very low183 Ų183113.6 Ų113.680%0.80372%0.723SS**  trans-145.567161.2-148.3-89.2000109.2L273F271-L273 HydrophobicContact CD1-CD1 4.42Å; F271-L273 HydrophobicContact CE1-CD1 4.39Å; F271-L273 PolarHBondContact O-N 3.02Å
272E49.8Very low47.9Very low190 Ų190116.4 Ų116.489%0.88872%0.719SS**  trans-62.1119.6171.6-162.8179.4133.200108.2G274E272-G274 VanDerWaalsContact C-N 3.27Å; E272-G274 PolarHBondContact O-N 2.83Å
273L50.8Low48.6Very low154 Ų154116.6 Ų116.681%0.80671%0.714SS**  trans-7781-170.1-159.473000109.5F271 D275F271-L273 HydrophobicContact CD1-CD1 4.42Å; F271-L273 HydrophobicContact CE1-CD1 4.39Å; F271-L273 PolarHBondContact O-N 3.02Å; L273-D275 PolarHBondContact O-N 3.03Å
274G42.7Very low49.5Very low66 Ų66117.2 Ų117.268%0.6871%0.713SS**  trans-52.2124-171.600000113.6E272E272-G274 VanDerWaalsContact C-N 3.27Å; E272-G274 PolarHBondContact O-N 2.83Å
275D48.3Very low50.1Low117 Ų117116.1 Ų116.163%0.62671%0.71SS**  trans-46.1132.3-171.3-161.7-68.5000114.5L273 A277 S278L273-D275 PolarHBondContact O-N 3.03Å; D275-A277 PolarHBondContact O-N 2.89Å; D275-A277 VanDerWaalsContact OD1-CB 3.28Å; D275-A277 WeakPolarHBondContact OD1-CB 3.37Å; D275-A277 PolarHBondContact OD1-N 3.38Å; D275-S278 WeakPolarHBondContact O-CB 3.34Å; D275-S278 PolarHBondContact O-N 3.49Å
276A53.9Low50Low88 Ų88111.6 Ų111.673%0.72770%0.703SS**Hα-helixtrans-60.1-20.4-177.100000113.7S278A276-S278 VanDerWaalsContact C-N 3.31Å; A276-S278 PolarHBondContact O-N 3.1Å
277A54.7Low50.3Low67 Ų67109.1 Ų109.155%0.55470%0.696SS**Hα-helixtrans-66.6-30.1173.200000113.2D275 A280 A281D275-A277 PolarHBondContact O-N 2.89Å; D275-A277 VanDerWaalsContact OD1-CB 3.28Å; D275-A277 WeakPolarHBondContact OD1-CB 3.37Å; D275-A277 PolarHBondContact OD1-N 3.38Å; A277-A280 PolarHBondContact O-N 2.79Å; A277-A281 PolarHBondContact O-N 3.25Å
278S54.4Low50.7Low84 Ų84110.6 Ų110.659%0.58770%0.701SS**Hα-helixtrans-68.2-36.7-177.9-170.80000112.3D275 A276 A280 A281 Y282D275-S278 WeakPolarHBondContact O-CB 3.34Å; D275-S278 PolarHBondContact O-N 3.49Å; A276-S278 VanDerWaalsContact C-N 3.31Å; A276-S278 PolarHBondContact O-N 3.1Å; S278-A280 VanDerWaalsContact C-N 3.33Å; S278-A280 PolarHBondContact O-N 3.29Å; S278-A281 PolarHBondContact O-N 3.34Å; S278-Y282 PolarHBondContact O-N 3.41Å; S278-Y282 VanDerWaalsContact O-N 3.14Å
279A51.1Low50.9Low60 Ų60116 Ų11650%0.49670%0.702SS.*Hα-helixtrans-60.5-41.5175.500000111.9Y282A279-Y282 PolarHBondContact O-N 2.87Å
280A56.1Low51.6Low62 Ų62116 Ų11651%0.51269%0.693SS.*Hα-helixtrans-68.3-33.7178.300000113.1A277 S278 S284A277-A280 PolarHBondContact O-N 2.79Å; S278-A280 VanDerWaalsContact C-N 3.33Å; S278-A280 PolarHBondContact O-N 3.29Å; A280-S284 PolarHBondContact O-OG 2.96Å
281A56.7Low51.5Low59 Ų59115 Ų11549%0.48869%0.689SS.*Hα-helixtrans-66.8-38.7175.300000112.3A277 S278 W283 S284 A285A277-A281 PolarHBondContact O-N 3.25Å; S278-A281 PolarHBondContact O-N 3.34Å; A281-W283 VanDerWaalsContact C-N 3.35Å; A281-W283 PolarHBondContact O-N 3.14Å; A281-S284 PolarHBondContact O-N 2.92Å; A281-S284 VanDerWaalsContact O-N 3.1Å; A281-A285 PolarHBondContact O-N 3.06Å
282Y50.6Low51.7Low184 Ų184112.6 Ų112.672%0.72269%0.689SS**Hα-helixtrans-59.1-38.9179.1174.2-101.4000113.7S278 A279 S284S278-Y282 PolarHBondContact O-N 3.41Å; S278-Y282 VanDerWaalsContact O-N 3.14Å; A279-Y282 PolarHBondContact O-N 2.87Å; Y282-S284 VanDerWaalsContact C-N 3.31Å; Y282-S284 PolarHBondContact O-N 2.95Å
283W56.3Low51.7Low202 Ų202111.4 Ų111.477%0.76568%0.684SS**Hα-helixtrans-75.2-19.7177.4-68.196.6000113.8A281A281-W283 VanDerWaalsContact C-N 3.35Å; A281-W283 PolarHBondContact O-N 3.14Å
284S60Low51.7Low105 Ų105108.2 Ų108.273%0.73467%0.667SS**Hα-helixtrans-91.7-19.8-171.4-57.40000113.5A280 A281 Y282A280-S284 PolarHBondContact O-OG 2.96Å; A281-S284 PolarHBondContact O-N 2.92Å; A281-S284 VanDerWaalsContact O-N 3.1Å; Y282-S284 VanDerWaalsContact C-N 3.31Å; Y282-S284 PolarHBondContact O-N 2.95Å
285A53.1Low52.5Low88 Ų88111.4 Ų111.473%0.72768%0.676SS**SBendtrans-112.984.3-173.300000112.8A281A281-A285 PolarHBondContact O-N 3.06Å
286G46.6Very low53.3Low66 Ų66110.1 Ų110.168%0.6868%0.676SS**  trans153.4-10.5167.500000117.6C288G286-C288 PolarHBondContact O-N 3.49Å
287S49.2Very low53.9Low90 Ų90113 Ų11363%0.62968%0.678SS**  trans-80.983.6-178-70.10000112.6W289S287-W289 PolarHBondContact O-N 2.95Å
288C50.3Low54.1Low116 Ų116120 Ų12078%0.78469%0.692SS**THydrogen-bonded Turntrans-69.136.8172.756.80000114.7G286G286-C288 PolarHBondContact O-N 3.49Å
289W50.3Low54.5Low204 Ų204123.7 Ų123.777%0.77371%0.705SS**THydrogen-bonded Turntrans-1077.1-178.8-62.388.1000113S287 D291S287-W289 PolarHBondContact O-N 2.95Å; W289-D291 VanDerWaalsContact C-N 3.34Å; W289-D291 PolarHBondContact O-N 3.32Å
290A52Low55.2Low90 Ų90130 Ų13074%0.74474%0.741SS**  trans-91.517.8-177.200000114.1
291D47.8Very low55.1Low139 Ų139133.5 Ų133.574%0.74375%0.752SS**  trans-123.764.9178.2-166.328.3000110.9W289W289-D291 VanDerWaalsContact C-N 3.34Å; W289-D291 PolarHBondContact O-N 3.32Å
292V51Low55.1Low133 Ų133137.4 Ų137.481%0.80677%0.766SS**  trans-131.178.5159.7-177.60000106.6D294V292-D294 VanDerWaalsContact C-N 3.34Å; V292-D294 PolarHBondContact O-N 3.22Å; V292-D294 VanDerWaalsContact O-N 3.08Å
293Q49.1Very low55.3Low166 Ų166134.8 Ų134.878%0.77677%0.769SS**  trans-8466.7-172.1-155.478.8-7.700111.7
294D50.5Low55.3Low86 Ų86130.8 Ų130.846%0.4677%0.769SS.*  trans-152.6100.4164.5-157.9-16.8000114.7V292 S296V292-D294 VanDerWaalsContact C-N 3.34Å; V292-D294 PolarHBondContact O-N 3.22Å; V292-D294 VanDerWaalsContact O-N 3.08Å; D294-S296 VanDerWaalsContact C-N 3.27Å; D294-S296 VanDerWaalsContact CG-OG 3.23Å; D294-S296 PolarHBondContact O-N 2.9Å; D294-S296 WeakPolarHBondContact OD1-CB 3.28Å; D294-S296 PolarHBondContact OD1-N 2.77Å; D294-S296 PolarHBondContact OD1-OG 2.89Å; D294-S296 PolarHBondContact OD2-OG 2.76Å
295P61.1Low55Low134 Ų134132.4 Ų132.487%0.8777%0.771SS**THydrogen-bonded Turntrans-80.36.2172.433.1-34.2000114.4
296S65.4Low55.1Low89 Ų89135.4 Ų135.462%0.62277%0.774SS**THydrogen-bonded Turntrans-87.1-8.6-178.3740000115.4D294 Y298D294-S296 VanDerWaalsContact C-N 3.27Å; D294-S296 VanDerWaalsContact CG-OG 3.23Å; D294-S296 PolarHBondContact O-N 2.9Å; D294-S296 WeakPolarHBondContact OD1-CB 3.28Å; D294-S296 PolarHBondContact OD1-N 2.77Å; D294-S296 PolarHBondContact OD1-OG 2.89Å; D294-S296 PolarHBondContact OD2-OG 2.76Å; S296-Y298 PolarHBondContact O-N 3.3Å
297L65.2Low55.7Low148 Ų148140.4 Ų140.478%0.77578%0.78SS**SBendtrans-91.420.6-172.6-87.6171.9000115.9
298Y58.4Low56.2Low215 Ų215144.2 Ų144.284%0.84379%0.792SS**  trans-141.584.1179.7-150.1-92.8000114.5S296S296-Y298 PolarHBondContact O-N 3.3Å
299L64.4Low56.7Low162 Ų162146.6 Ų146.685%0.84879%0.793SS**  trans-127154.1153.2-98.297.8000108.5
300P65Low57.3Low193 Ų193141.4 Ų141.4100%1.25380%0.795SS**  trans-69.80-152.127.6-37.3000116.4

Retrieved 300 of 300 residues in 189.1 ms (Link to these results)