A0A077Z8L0_TRITR Loading...

5'-AMP-activated protein kinase subunit beta-1

Non-catalytic subunit of AMP-activated protein kinase (AMPK), an energy sensor protein kinase that plays a key role in regulating cellular energy metabolism. In response to reduction of intracellular ATP levels, AMPK activates energy-producing pathways and inhibits energy-consuming processes: inhibits protein, carbohydrate and lipid biosynthesis, as well as cell growth and proliferation. AMPK acts via direct phosphorylation of metabolic enzymes, and by longer-term effects via phosphorylation of transcription regulators. Also acts as a regulator of cellular polarity by remodeling the actin cytoskeleton; probably by indirectly activating myosin. Beta non-catalytic subunit acts as a scaffold on which the AMPK complex assembles, via its C-terminus that bridges alpha (PRKAA1 or PRKAA2) and gamma subunits (PRKAG1, PRKAG2 or PRKAG3).

AlphaFold DB , UniProt , Accession A0A077Z8L0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 256 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
1M43.7Very low40.1Very low254 Ų254160.7 Ų160.7100%1.25186%0.855SS**  0108.30-57.4177-174.900105.8
2G40.8Very low39.8Very low70 Ų70168.1 Ų168.172%0.72286%0.862SS**  cis13587.118.700000106.8
3N41.4Very low39.7Very low163 Ų163165.8 Ų165.887%0.87286%0.861SS**  trans169.8125132.5-100.2-5000112.4
4A37Very low39.1Very low97 Ų97167.5 Ų167.580%0.80286%0.863SS**  trans-113.9135.7164.600000107.8
5Q47.1Very low38.8Very low174 Ų174164.7 Ų164.781%0.81386%0.864SS**  trans-150.1101.4160.6-70.6-165.6-7.500106.4
6S42.4Very low38.7Very low111 Ų111159.4 Ų159.478%0.77686%0.861SS**  93.3109.97973.70000111.9
7L36.8Very low38.4Very low185 Ų185157.4 Ų157.497%0.96986%0.862SS**  trans-64.9134.5171.3-68.8156.8000110.9
8S43.3Very low38.3Very low119 Ų119152.8 Ų152.883%0.83286%0.857SS**  trans-116.3103.4162.464.40000110.1
9R34.2Very low38Very low203 Ų203153.8 Ų153.877%0.76686%0.859SS**  trans-71.6131.2164.9-178.8179.2179.5178.4-0.7108.4E11R9-E11 IonicContact CZ-OE1 3.81Å; R9-E11 IonicContact NE-OE1 3.76Å; R9-E11 IonicContact NH2-OE1 2.77Å; R9-E11 PolarHBondContact NH2-OE1 2.88Å
10R40.5Very low38Very low249 Ų249158.6 Ų158.694%0.9486%0.863SS**  trans-124.2102.9166.9-120.3179.1178.5166.30.2108.5
11E34.3Very low37.9Very low143 Ų143161 Ų16167%0.66887%0.866SS**  trans-77.9140.6161.1-76.7173.815700108.7R9R9-E11 IonicContact CZ-OE1 3.81Å; R9-E11 IonicContact NE-OE1 3.76Å; R9-E11 IonicContact NH2-OE1 2.77Å; R9-E11 PolarHBondContact NH2-OE1 2.88Å
12R36.8Very low37.3Very low249 Ų249154.9 Ų154.994%0.9485%0.848SS**  trans-132120.4164-147.6178.2-170.2176.81.8108.2
13T38.5Very low37Very low138 Ų138154.6 Ų154.685%0.84785%0.845SS**  trans-73.3155.9-176.934.40000113.3
14E30.5Very low36.6Very low190 Ų190150.7 Ų150.789%0.88884%0.843SS**  trans-67.9153-175.7-59.7174.2127.900114.7
15S35.3Very low36.5Very low126 Ų126155.8 Ų155.888%0.88185%0.847SS**  trans177.8134.2130.239.10000109.7
16G36.5Very low36.1Very low79 Ų79151.9 Ų151.981%0.81484%0.84SS**  trans155.980.9171.300000114.7
17S34.3Very low36.2Very low126 Ų126154.6 Ų154.688%0.88185%0.845SS**  trans-42.6138.7169.2530000115.2
18G36.7Very low36.6Very low74 Ų74154.2 Ų154.276%0.76384%0.838SS**  trans-168.787.4168.200000112.5R20G18-R20 PolarHBondContact O-N 3.19Å
19L32.5Very low36.6Very low172 Ų172155.2 Ų155.290%0.90183%0.834SS**  trans-46.3117.9165.5-96.469.6000110.8
20R36.9Very low36.9Very low250 Ų250154.4 Ų154.494%0.94384%0.84SS**  trans-144.8123.3144.8-72.5-159.4173.9-159.2-2.8112G18G18-R20 PolarHBondContact O-N 3.19Å
21K37.1Very low36.7Very low209 Ų209148 Ų14891%0.90983%0.832SS**  trans-28.4134.4173.9-73.9170.7170.2179.90116.2G23K21-G23 PolarHBondContact O-N 3.37Å
22S31.3Very low37.4Very low125 Ų125146.4 Ų146.487%0.87483%0.833SS**  trans-41.4112.8156.951.50000112.9
23G33.4Very low37.5Very low64 Ų64140.9 Ų140.966%0.6683%0.827SS**  trans-106.9111.7156.100000107.2K21 F25K21-G23 PolarHBondContact O-N 3.37Å; G23-F25 PolarHBondContact O-N 3.3Å
24G33.5Very low37.5Very low81 Ų81142.7 Ų142.784%0.83583%0.826SS**  trans-64.7125.1175.100000109.9S26G24-S26 PolarHBondContact O-N 2.99Å
25F34.4Very low37.9Very low204 Ų204140.1 Ų140.190%0.89582%0.818SS**  trans-78.1112.6164.6-90.4-100.8000107.3G23G23-F25 PolarHBondContact O-N 3.3Å
26S38.8Very low38.1Very low93 Ų93143.1 Ų143.165%0.6582%0.815SS**  trans-79.9116.2166.146.80000108.6G24 E28G24-S26 PolarHBondContact O-N 2.99Å; S26-E28 PolarHBondContact O-N 3.35Å
27D45.1Very low38.5Very low168 Ų168143.3 Ų143.390%0.89880%0.796SS**THydrogen-bonded Turntrans-73.321.5-178-105-25.5000114.2
28E45.3Very low38.9Very low176 Ų176141.6 Ų141.682%0.82278%0.784SS**THydrogen-bonded Turntrans-110.5-6.8-169.7-67.8-143.2120.500116.6S26S26-E28 PolarHBondContact O-N 3.35Å
29D42.9Very low39Very low140 Ų140147.2 Ų147.275%0.74979%0.788SS**SBendtrans-107.720.4-169-83.8-25.8000116.6
30Q40.3Very low39.6Very low187 Ų187143.3 Ų143.387%0.87478%0.775SS**  trans-129.356176.4-127.990.750.200113.2
31C36.4Very low39.8Very low114 Ų114137.9 Ų137.977%0.7777%0.769SS**  trans-109.5118.1160.1-93.50000109.7V33C31-V33 PolarHBondContact O-N 2.85Å
32P48.9Very low39.9Very low109 Ų109131.9 Ų131.971%0.70876%0.759SS**  trans-60.1126.1166.225-30.2000107.8Q34P32-Q34 VanDerWaalsContact C-N 3.34Å; P32-Q34 PolarHBondContact O-N 2.89Å
33V38.3Very low40.2Very low133 Ų133133.3 Ų133.381%0.80676%0.757SS**  trans-59.696.5177.7-176.50000108.1C31 L35C31-V33 PolarHBondContact O-N 2.85Å; V33-L35 HydrophobicContact CG1-CG 4.32Å; V33-L35 PolarHBondContact O-N 3.37Å; V33-L35 VanDerWaalsContact O-N 3.09Å
34Q38.9Very low40.4Very low176 Ų176140.2 Ų140.282%0.82277%0.768SS**  trans-76.694.5168.3-69.3-152.3-31.200107.5P32 K36P32-Q34 VanDerWaalsContact C-N 3.34Å; P32-Q34 PolarHBondContact O-N 2.89Å; Q34-K36 PolarHBondContact O-N 2.81Å
35L38.9Very low40.4Very low137 Ų137141.3 Ų141.372%0.71776%0.763SS**  trans-6490.2165.5-85163.3000108.4V33 I37V33-L35 HydrophobicContact CG1-CG 4.32Å; V33-L35 PolarHBondContact O-N 3.37Å; V33-L35 VanDerWaalsContact O-N 3.09Å; L35-I37 PolarHBondContact O-N 2.98Å; L35-I37 VanDerWaalsContact O-N 3.1Å
36K39.4Very low40.7Very low189 Ų189139.9 Ų139.982%0.82276%0.764SS**  trans-84.273.7172.4-164167.5-170.7165.20108.5Q34 S38Q34-K36 PolarHBondContact O-N 2.81Å; K36-S38 PolarHBondContact O-N 2.78Å; K36-S38 VanDerWaalsContact O-N 3.11Å
37I45.9Very low40.6Very low82 Ų82139.8 Ų139.842%0.42176%0.764SS.*  trans-79.195.4170-57.4169.8000106.4L35 K39 V141 F142L35-I37 PolarHBondContact O-N 2.98Å; L35-I37 VanDerWaalsContact O-N 3.1Å; I37-K39 PolarHBondContact O-N 3.06Å; I37-V141 HydrophobicContact CD1-CG1 4.38Å; I37-F142 HydrophobicContact CB-CE1 4.39Å; I37-F142 HydrophobicContact CB-CZ 3.82Å; I37-F142 HydrophobicContact CD1-CE1 4.28Å; I37-F142 HydrophobicContact CD1-CZ 4.26Å; I37-F142 HydrophobicContact CG2-CE2 4.19Å; I37-F142 HydrophobicContact CG2-CZ 3.63Å
38S41.2Very low40.4Very low90 Ų90138.2 Ų138.263%0.62976%0.76SS**  trans-61.4121.5171390000109.2K36 S40K36-S38 PolarHBondContact O-N 2.78Å; K36-S38 VanDerWaalsContact O-N 3.11Å; S38-S40 PolarHBondContact O-N 2.83Å
39K40.6Very low40.1Very low193 Ų193134.8 Ų134.884%0.83975%0.751SS**  trans-66.676.5167.6-152.3174.4-166.6170.70108.1I37 V41I37-K39 PolarHBondContact O-N 3.06Å; K39-V41 PolarHBondContact O-N 3.24Å; K39-V41 VanDerWaalsContact O-N 3.11Å
40S43.5Very low39.7Very low90 Ų90133.5 Ų133.563%0.62975%0.75SS**  trans-74.699.4170.7550000107.5S38 A42S38-S40 PolarHBondContact O-N 2.83Å; S40-A42 PolarHBondContact O-N 2.95Å
41V42.5Very low39.8Very low135 Ų135130.7 Ų130.782%0.81874%0.742SS**  trans-51.7118.2157.2175.90000107.3K39K39-V41 PolarHBondContact O-N 3.24Å; K39-V41 VanDerWaalsContact O-N 3.11Å
42A37.4Very low40.7Very low84 Ų84134 Ų13469%0.69474%0.738SS**  trans58.586.2165.800000116.7S40S40-A42 PolarHBondContact O-N 2.95Å
43D38.4Very low41.5Very low155 Ų155134.3 Ų134.383%0.82975%0.75SS**  trans-138.9107142.6-100.8-30.5000110.8S45D43-S45 PolarHBondContact O-N 3.25Å; D43-S45 VanDerWaalsContact O-N 3.15Å
44K37Very low43.7Very low208 Ų208130.2 Ų130.290%0.90473%0.734SS**  trans-66.499.4164.6-77.8175.2171.2178.20107.6
45S34.5Very low46.3Very low104 Ų104124.6 Ų124.673%0.72771%0.708SS**  trans156.783.5145.3510000113.5D43D43-S45 PolarHBondContact O-N 3.25Å; D43-S45 VanDerWaalsContact O-N 3.15Å
46L39.8Very low48.9Very low174 Ų174119.9 Ų119.991%0.91168%0.681SS**  trans-14574.1141.1-150.878.1000107.8T48L46-T48 PolarHBondContact O-N 2.79Å
47S37.1Very low51.6Low92 Ų92114.2 Ų114.264%0.64366%0.664SS**  trans-75.3104.5-178.254.70000110.6T49S47-T49 VanDerWaalsContact C-N 3.26Å; S47-T49 PolarHBondContact O-N 3.22Å; S47-T49 VanDerWaalsContact O-N 3.15Å
48T42.2Very low54Low135 Ų135110.7 Ų110.783%0.82865%0.646SS**SBendtrans-7391.6149.5-34.80000105.4L46L46-T48 PolarHBondContact O-N 2.79Å
49T38.4Very low56.6Low103 Ų103111 Ų11163%0.63264%0.643SS**  trans30.9101.8175.1540000117.2S47 D51S47-T49 VanDerWaalsContact C-N 3.26Å; S47-T49 PolarHBondContact O-N 3.22Å; S47-T49 VanDerWaalsContact O-N 3.15Å; T49-D51 PolarHBondContact O-N 2.8Å; T49-D51 VanDerWaalsContact O-N 3.17Å
50P34.8Very low59.2Low113 Ų113102.2 Ų102.273%0.73461%0.606SS**  trans-87.577.7171.534.9-23.9000108.3
51D41.9Very low61.8Low129 Ų129102 Ų10269%0.6959%0.594SS**  trans-113102.4178-109.6-20.6000109.6T49T49-D51 PolarHBondContact O-N 2.8Å; T49-D51 VanDerWaalsContact O-N 3.17Å
52R54.3Low64.4Low183 Ų18397 Ų9769%0.69156%0.56SS**SBendtrans82.2100.8-170.9-59.1-179.7175.5165.31.7115.5G54 E55R52-G54 PolarHBondContact O-N 3.1Å; R52-E55 HydrophobicContact CB-CG 4.14Å; R52-E55 WeakPolarHBondContact CD-OE1 3.38Å; R52-E55 IonicContact CZ-OE1 3.97Å; R52-E55 IonicContact NE-OE1 3.95Å; R52-E55 IonicContact NH1-OE1 3.13Å; R52-E55 PolarHBondContact NH1-OE1 3.04Å; R52-E55 VanDerWaalsContact NH1-OE1 3.13Å; R52-E55 PolarHBondContact O-N 3.4Å
53A66.3Low67Low116 Ų11696.6 Ų96.696%0.95955%0.549SS*.THydrogen-bonded Turntrans-52.1114169.800000110.6
54G84.4Confident69.4Low46 Ų4690.3 Ų90.347%0.47452%0.521SS..THydrogen-bonded Turntrans105.52.9176.100000116.4R52 P98R52-G54 PolarHBondContact O-N 3.1Å; G54-P98 WeakPolarHBondContact O-CA 3.36Å
55E93.4Very high72Confident58 Ų5886.6 Ų86.627%0.27152%0.521SS..EExtended strand (participates in β ladder)trans-98.9143.8167.8-64.2180-176.400110.9R52 N96 L97R52-E55 HydrophobicContact CB-CG 4.14Å; R52-E55 WeakPolarHBondContact CD-OE1 3.38Å; R52-E55 IonicContact CZ-OE1 3.97Å; R52-E55 IonicContact NE-OE1 3.95Å; R52-E55 IonicContact NH1-OE1 3.13Å; R52-E55 PolarHBondContact NH1-OE1 3.04Å; R52-E55 VanDerWaalsContact NH1-OE1 3.13Å; R52-E55 PolarHBondContact O-N 3.4Å; E55-N96 HydrophobicContact CB-CB 4.05Å; E55-N96 WeakPolarHBondContact OE2-CB 3.38Å; E55-L97 CarbonylContact C-O 3.54Å; E55-L97 WeakPolarHBondContact CA-O 3Å
56Y94.3Very high74.9Confident38 Ų3882.3 Ų82.315%0.14949%0.492CS..EExtended strand (participates in β ladder)trans-119.1140.6-180-58.1-89.3000111.1V58 N96 L97 E99 I134 R136 Y139Y56-V58 PolarHBondContact O-N 2.9Å; Y56-N96 WeakPolarHBondContact O-CA 3.41Å; Y56-L97 PolarHBondContact N-O 3.02Å; Y56-L97 PolarHBondContact O-N 2.89Å; Y56-E99 HydrophobicContact CE2-CB 3.99Å; Y56-E99 HydrophobicContact CE2-CG 4.47Å; Y56-I134 HydrophobicContact CD2-CG2 3.75Å; Y56-I134 HydrophobicContact CE2-CG2 4.49Å; Y56-I134 HydrophobicContact CG-CG2 4.17Å; Y56-R136 HydrophobicContact CE1-CG 4.48Å; Y56-R136 WeakPolarHBondContact OH-CB 3.35Å; Y56-R136 WeakPolarHBondContact OH-CD 3.24Å; Y56-R136 VanDerWaalsContact OH-CG 3.26Å; Y56-R136 WeakPolarHBondContact OH-CG 3.28Å; Y56-Y139 VanDerWaalsContact CB-CE2 3.48Å; Y56-Y139 AromaticContact CD1-CD1 3.8Å; Y56-Y139 HydrophobicContact CD1-CD1 3.8Å; Y56-Y139 AromaticContact CD1-CD2 3.37Å; Y56-Y139 HydrophobicContact CD1-CD2 3.37Å; Y56-Y139 HydrophobicContact CD1-CE1 4.25Å; Y56-Y139 AromaticContact CD1-CE2 3.88Å; Y56-Y139 HydrophobicContact CD1-CE2 3.88Å; Y56-Y139 AromaticContact CD1-CG 3.33Å; Y56-Y139 HydrophobicContact CD1-CG 3.33Å; Y56-Y139 AromaticContact CE1-CD2 3.97Å; Y56-Y139 HydrophobicContact CE1-CD2 3.97Å; Y56-Y139 AromaticContact CE1-CG 3.99Å; Y56-Y139 HydrophobicContact CE1-CG 3.99Å; Y56-Y139 HydrophobicContact CG-CD1 4.35Å; Y56-Y139 AromaticContact CG-CD2 3.72Å; Y56-Y139 HydrophobicContact CG-CD2 3.72Å; Y56-Y139 HydrophobicContact CG-CE1 4.34Å; Y56-Y139 AromaticContact CG-CE2 3.73Å; Y56-Y139 HydrophobicContact CG-CE2 3.73Å; Y56-Y139 HydrophobicContact CG-CG 4.05Å
57P95.9Very high77.5Confident71 Ų7182.4 Ų82.446%0.46149%0.485SS..EExtended strand (participates in β ladder)trans-71.7119.8178.128.9-33.4000110.4I94 N96 Y139P57-I94 HydrophobicContact CB-CG2 3.96Å; P57-N96 WeakPolarHBondContact CA-OD1 3.42Å; P57-Y139 HydrophobicContact CG-CE1 4.12Å; P57-Y139 VanDerWaalsContact O-CE1 3.26Å; P57-Y139 WeakPolarHBondContact O-CE1 3.38Å; P57-Y139 PolarHBondContact O-OH 2.81Å
58V95.6Very high80.3Confident8 Ų883.9 Ų83.95%0.04848%0.482CS..EExtended strand (participates in β ladder)trans-110.3126.9177.6179.10000109.3Y56 V60 I94 I95 L97 L132 I134 Y139Y56-V58 PolarHBondContact O-N 2.9Å; V58-V60 HydrophobicContact CG1-CG2 4.15Å; V58-I94 VanDerWaalsContact O-CA 3.3Å; V58-I94 WeakPolarHBondContact O-CA 3.45Å; V58-I95 WeakPolarHBondContact CB-O 3.35Å; V58-I95 PolarHBondContact N-O 2.97Å; V58-I95 PolarHBondContact O-N 3.33Å; V58-L97 HydrophobicContact CG2-CB 4.25Å; V58-L97 HydrophobicContact CG2-CD1 4.24Å; V58-L132 HydrophobicContact CB-CD2 4.26Å; V58-L132 HydrophobicContact CG1-CD1 4.14Å; V58-L132 HydrophobicContact CG1-CD2 3.44Å; V58-L132 VanDerWaalsContact CG1-CD2 3.44Å; V58-L132 HydrophobicContact CG1-CG 4.43Å; V58-L132 HydrophobicContact CG2-CD2 3.99Å; V58-I134 HydrophobicContact CG2-CD1 3.43Å; V58-I134 VanDerWaalsContact CG2-CD1 3.43Å; V58-I134 HydrophobicContact CG2-CG1 3.95Å; V58-Y139 WeakPolarHBondContact CG2-OH 3.18Å
59V96Very high83Confident95 Ų9577.6 Ų77.658%0.57644%0.443SS*.EExtended strand (participates in β ladder)trans-81.9118.2169.9-178.10000109I92 I94V59-I92 HydrophobicContact CG1-CG2 3.94Å; V59-I94 HydrophobicContact CG2-CG1 4.34Å
60V96.4Very high85.8Confident9 Ų975.3 Ų75.36%0.05542%0.424CS..EExtended strand (participates in β ladder)trans-106.9123.4171.1-176.10000108.4V58 V71 M84 I92 T93 I95 F104 F106V58-V60 HydrophobicContact CG1-CG2 4.15Å; V60-V71 HydrophobicContact CG1-CG2 4.25Å; V60-M84 HydrophobicContact CG1-CE 4.37Å; V60-M84 VanDerWaalsContact O-CE 3.3Å; V60-M84 WeakPolarHBondContact O-CE 3.28Å; V60-I92 WeakPolarHBondContact O-CA 3.29Å; V60-T93 HydrophobicContact CB-CG2 4.08Å; V60-T93 PolarHBondContact N-O 2.86Å; V60-T93 PolarHBondContact O-N 3.32Å; V60-I95 HydrophobicContact CG2-CD1 4.1Å; V60-F104 HydrophobicContact CG1-CD2 4.39Å; V60-F104 HydrophobicContact CG1-CE2 4.08Å; V60-F106 HydrophobicContact CG1-CE1 3.73Å; V60-F106 HydrophobicContact CG1-CZ 3.83Å
61K96.9Very high88.8Confident87 Ų8769.9 Ų69.938%0.37839%0.39SS..EExtended strand (participates in β ladder)trans-124.4139.2-173.8-175.7178.5-171.5-168.40110.7T63 D90 F91 I92 F106K61-T63 HydrophobicContact CD-CG2 3.99Å; K61-T63 HydrophobicContact CG-CG2 4.08Å; K61-D90 WeakPolarHBondContact CE-OD1 3.45Å; K61-D90 WeakPolarHBondContact CE-OD2 3.32Å; K61-D90 HydrophobicContact CG-CB 4.42Å; K61-D90 IonicContact NZ-OD1 3.65Å; K61-D90 IonicContact NZ-OD2 2.7Å; K61-D90 PolarHBondContact NZ-OD2 3.14Å; K61-F91 CarbonylContact C-O 3.58Å; K61-F91 WeakPolarHBondContact CA-O 3.45Å; K61-I92 HydrophobicContact CG-CG1 4.1Å; K61-F106 WeakPolarHBondContact O-CZ 3.3Å
62W97Very high91.4Very high30 Ų3063.8 Ų63.811%0.11436%0.357CS..EExtended strand (participates in β ladder)trans-121.4124.9169.4173.7-94.9000109.2G64 V69 M84 D90 F91 F106 V108 T113 D115W62-G64 VanDerWaalsContact NE1-CA 3.34Å; W62-G64 PolarHBondContact NE1-O 3.38Å; W62-G64 VanDerWaalsContact NE1-O 3.17Å; W62-V69 HydrophobicContact CB-CG1 4.24Å; W62-V69 HydrophobicContact CG-CG1 4.18Å; W62-V69 HydrophobicContact CG-CG2 4.45Å; W62-M84 HydrophobicContact CB-CE 4.2Å; W62-D90 WeakPolarHBondContact O-CA 3.45Å; W62-F91 HydrophobicContact CB-CB 4.26Å; W62-F91 PolarHBondContact N-O 3.1Å; W62-F91 PolarHBondContact O-N 3.41Å; W62-F106 HydrophobicContact CB-CD1 4.12Å; W62-F106 HydrophobicContact CB-CE1 3.87Å; W62-F106 HydrophobicContact CB-CZ 4.35Å; W62-F106 HydrophobicContact CD2-CD1 4.5Å; W62-F106 HydrophobicContact CD2-CG 4.38Å; W62-F106 HydrophobicContact CE3-CB 4.09Å; W62-F106 HydrophobicContact CE3-CD1 4.04Å; W62-F106 AromaticContact CE3-CD2 3.5Å; W62-F106 HydrophobicContact CE3-CD2 3.5Å; W62-F106 VanDerWaalsContact CE3-CD2 3.5Å; W62-F106 HydrophobicContact CE3-CE1 4.32Å; W62-F106 AromaticContact CE3-CE2 3.8Å; W62-F106 HydrophobicContact CE3-CE2 3.8Å; W62-F106 AromaticContact CE3-CG 3.61Å; W62-F106 HydrophobicContact CE3-CG 3.61Å; W62-F106 HydrophobicContact CE3-CZ 4.19Å; W62-F106 HydrophobicContact CZ3-CB 4.28Å; W62-F106 AromaticContact CZ3-CD2 3.77Å; W62-F106 HydrophobicContact CZ3-CD2 3.77Å; W62-F106 HydrophobicContact CZ3-CE2 4.31Å; W62-F106 HydrophobicContact CZ3-CG 4.11Å; W62-V108 HydrophobicContact CD2-CG2 4.14Å; W62-V108 HydrophobicContact CH2-CG2 4.24Å; W62-V108 HydrophobicContact CZ2-CG1 4.41Å; W62-V108 HydrophobicContact CZ2-CG2 3.82Å; W62-T113 HydrophobicContact CH2-CG2 3.51Å; W62-T113 HydrophobicContact CZ2-CG2 4.16Å; W62-T113 HydrophobicContact CZ3-CG2 3.89Å; W62-D115 HydrophobicContact CZ3-CB 4.34Å
63T92.6Very high93.5Very high75 Ų7555.1 Ų55.146%0.4632%0.324SS..  trans-105.316-173.555.30000114.1K61 D90K61-T63 HydrophobicContact CD-CG2 3.99Å; K61-T63 HydrophobicContact CG-CG2 4.08Å; T63-D90 WeakPolarHBondContact CA-OD1 3.44Å; T63-D90 VanDerWaalsContact CG2-OD1 3.24Å; T63-D90 WeakPolarHBondContact CG2-OD1 3.45Å
64G89.5Confident94.9Very high22 Ų2251.7 Ų51.723%0.22729%0.293CS..SBendtrans-99.2152.1179.600000113.6W62 A66W62-G64 VanDerWaalsContact NE1-CA 3.34Å; W62-G64 PolarHBondContact NE1-O 3.38Å; W62-G64 VanDerWaalsContact NE1-O 3.17Å; G64-A66 PolarHBondContact O-N 2.72Å
65S91.8Very high95.4Very high130 Ų13052.7 Ų52.791%0.90928%0.283SS*.  trans-62.5124.9169.3-69.20000111
66A94.3Very high95.4Very high15 Ų1551.7 Ų51.712%0.12428%0.279CS..  trans-156.4159.817900000111.3G64 V69 F91 V108 D109G64-A66 PolarHBondContact O-N 2.72Å; A66-V69 HydrophobicContact CB-CG2 3.51Å; A66-F91 HydrophobicContact CB-CE2 3.91Å; A66-F91 HydrophobicContact CB-CZ 4.23Å; A66-F91 WeakPolarHBondContact O-CZ 3.48Å; A66-V108 HydrophobicContact CB-CG1 3.53Å; A66-D109 WeakPolarHBondContact CA-OD2 3.41Å
67K94.6Very high95.3Very high175 Ų17552.1 Ų52.176%0.76130%0.296SS*.SBendtrans-86.9-44.1169.9-59.7178.2-178.8174.90111.3D109K67-D109 WeakPolarHBondContact CA-OD1 3.45Å; K67-D109 VanDerWaalsContact CB-OD1 3.28Å; K67-D109 WeakPolarHBondContact CB-OD1 3.47Å; K67-D109 VanDerWaalsContact N-CG 3.34Å; K67-D109 PolarHBondContact N-OD1 3.12Å; K67-D109 PolarHBondContact N-OD2 3.31Å
68Q95.9Very high95.3Very high124 Ų12453.5 Ų53.558%0.57929%0.292SS*.  trans-140.8135.6178.8-66.9-176.8-1400110.5F70 D109Q68-F70 HydrophobicContact CB-CE2 4.1Å; Q68-D109 PolarHBondContact N-OD1 3.3Å; Q68-D109 PolarHBondContact O-N 2.69Å
69V98Very high95.3Very high3 Ų361.6 Ų61.62%0.01833%0.326CS..EExtended strand (participates in β ladder)trans-129134.5178.1-1730000109W62 A66 M84 F91 F106 V108W62-V69 HydrophobicContact CB-CG1 4.24Å; W62-V69 HydrophobicContact CG-CG1 4.18Å; W62-V69 HydrophobicContact CG-CG2 4.45Å; A66-V69 HydrophobicContact CB-CG2 3.51Å; V69-M84 HydrophobicContact CB-CB 4.34Å; V69-M84 HydrophobicContact CB-SD 4.26Å; V69-M84 HydrophobicContact CG1-CG 4.32Å; V69-M84 HydrophobicContact CG1-SD 3.44Å; V69-M84 WeakPolarHBondContact CG1-SD 3.37Å; V69-M84 WeakPolarHBondContact O-CB 3.45Å; V69-M84 PolarHBondContact O-N 3.26Å; V69-F91 HydrophobicContact CB-CB 4.02Å; V69-F91 HydrophobicContact CB-CD1 3.75Å; V69-F91 HydrophobicContact CB-CD2 4.38Å; V69-F91 HydrophobicContact CB-CE1 4.25Å; V69-F91 HydrophobicContact CB-CG 3.8Å; V69-F91 HydrophobicContact CG1-CB 4.46Å; V69-F91 HydrophobicContact CG2-CB 4.08Å; V69-F91 HydrophobicContact CG2-CD1 3.69Å; V69-F91 HydrophobicContact CG2-CD2 3.57Å; V69-F91 HydrophobicContact CG2-CE1 3.9Å; V69-F91 HydrophobicContact CG2-CE2 3.81Å; V69-F91 HydrophobicContact CG2-CG 3.51Å; V69-F91 HydrophobicContact CG2-CZ 3.96Å; V69-F106 HydrophobicContact CG1-CD1 4.13Å; V69-V108 HydrophobicContact CG1-CG2 3.99Å; V69-V108 HydrophobicContact CG2-CG1 4.4Å; V69-V108 HydrophobicContact CG2-CG2 4.27Å
70F98.1Very high95.2Very high54 Ų5465.7 Ų65.724%0.23733%0.331CS..EExtended strand (participates in β ladder)trans-125158.4169.1-52.6-107.9000109.4Q68 K81 L82 P83 F106 Y107Q68-F70 HydrophobicContact CB-CE2 4.1Å; F70-K81 HydrophobicContact CB-CB 3.81Å; F70-K81 HydrophobicContact CD1-CB 4.05Å; F70-K81 HydrophobicContact CG-CB 4.15Å; F70-L82 CarbonylContact C-O 3.47Å; F70-L82 WeakPolarHBondContact CA-O 3.4Å; F70-L82 WeakPolarHBondContact CB-O 3.41Å; F70-P83 VanDerWaalsContact CD1-CA 3.48Å; F70-P83 HydrophobicContact CD1-CB 3.84Å; F70-P83 HydrophobicContact CE1-CB 3.79Å; F70-F106 CarbonylContact O-C 3.56Å; F70-F106 WeakPolarHBondContact O-CA 3.34Å; F70-Y107 AromaticContact CD2-CD1 3.97Å; F70-Y107 HydrophobicContact CD2-CD1 3.97Å; F70-Y107 PolarHBondContact N-O 3.27Å; F70-Y107 PolarHBondContact O-N 3.25Å
71V97.8Very high95.2Very high0 Ų069.3 Ų69.30%035%0.346CS..EExtended strand (participates in β ladder)trans-120.8136.6170.561.60000110V60 W75 L82 M84 T93 I95 F104 F106V60-V71 HydrophobicContact CG1-CG2 4.25Å; V71-W75 HydrophobicContact CG2-CH2 4.06Å; V71-W75 HydrophobicContact CG2-CZ2 4.49Å; V71-L82 HydrophobicContact CG1-CB 3.98Å; V71-L82 PolarHBondContact N-O 3.28Å; V71-L82 PolarHBondContact O-N 3.18Å; V71-M84 HydrophobicContact CB-SD 4.14Å; V71-M84 HydrophobicContact CG1-CG 4.24Å; V71-M84 HydrophobicContact CG1-SD 4.39Å; V71-T93 HydrophobicContact CG1-CG2 3.74Å; V71-I95 HydrophobicContact CG1-CD1 3.87Å; V71-F104 HydrophobicContact CG2-CB 4.27Å; V71-F104 HydrophobicContact CG2-CD2 3.94Å; V71-F106 HydrophobicContact CB-CD1 4.46Å
72G97.1Very high95.2Very high1 Ų167.8 Ų67.81%0.0134%0.342CS..EExtended strand (participates in β ladder)trans-124.9155168.800000109.6W78 F104 K105G72-W78 VanDerWaalsContact O-CZ3 3.25Å; G72-W78 WeakPolarHBondContact O-CZ3 3.43Å; G72-F104 CarbonylContact O-C 3.59Å; G72-F104 VanDerWaalsContact O-CA 3.25Å; G72-F104 WeakPolarHBondContact O-CA 3.48Å; G72-F104 WeakPolarHBondContact O-CB 3.41Å; G72-K105 PolarHBondContact N-O 2.85Å; G72-K105 PolarHBondContact O-N 2.91Å
73G97Very high95.1Very high0 Ų070.5 Ų70.50%036%0.364CS..EExtended strand (participates in β ladder)trans-163.1-179-179.100000114.8W75 W78 E103G73-W75 VanDerWaalsContact C-N 3.27Å; G73-W75 PolarHBondContact O-N 3.05Å; G73-W78 PolarHBondContact O-N 3.04Å; G73-W78 VanDerWaalsContact O-N 3.08Å; G73-E103 CarbonylContact C-O 3.52Å; G73-E103 WeakPolarHBondContact CA-O 3.17Å
74S96.7Very high95.4Very high44 Ų4467.7 Ų67.731%0.30835%0.345SS..G310 helixtrans-66.9-24.5-173.155.60000114D76 G77 E103S74-D76 PolarHBondContact O-N 3.24Å; S74-D76 VanDerWaalsContact O-N 3.17Å; S74-G77 PolarHBondContact O-N 3.09Å; S74-E103 PolarHBondContact N-O 3.05Å; S74-E103 PolarHBondContact OG-N 2.99Å; S74-E103 PolarHBondContact OG-O 3.07Å
75W94.5Very high95.7Very high68 Ų6871.7 Ų71.726%0.25837%0.365SS..G310 helixtrans-62-23.4-173.653.581.5000114.8V71 G73 L82 I95 L97 H102 F104V71-W75 HydrophobicContact CG2-CH2 4.06Å; V71-W75 HydrophobicContact CG2-CZ2 4.49Å; G73-W75 VanDerWaalsContact C-N 3.27Å; G73-W75 PolarHBondContact O-N 3.05Å; W75-L82 HydrophobicContact CZ2-CD1 4.3Å; W75-I95 HydrophobicContact CH2-CD1 3.93Å; W75-I95 HydrophobicContact CZ2-CD1 3.73Å; W75-L97 HydrophobicContact CB-CD2 3.53Å; W75-L97 HydrophobicContact CD2-CD2 3.65Å; W75-L97 HydrophobicContact CE3-CD1 3.88Å; W75-L97 HydrophobicContact CE3-CD2 3.78Å; W75-L97 HydrophobicContact CG-CD2 3.54Å; W75-L97 HydrophobicContact CZ3-CD1 4.09Å; W75-H102 HydrophobicContact CE3-CB 4.41Å; W75-F104 HydrophobicContact CH2-CB 3.74Å; W75-F104 HydrophobicContact CZ3-CB 3.72Å
76D92.5Very high95.9Very high36 Ų3673.3 Ų73.319%0.19335%0.352CS..G310 helixtrans-118.712.2174.178.5-13000113.2S74 W78 K79 R80S74-D76 PolarHBondContact O-N 3.24Å; S74-D76 VanDerWaalsContact O-N 3.17Å; D76-W78 WeakPolarHBondContact OD1-CA 2.97Å; D76-W78 PolarHBondContact OD1-N 3.42Å; D76-K79 VanDerWaalsContact O-CD 3.24Å; D76-K79 WeakPolarHBondContact O-CD 3.26Å; D76-K79 VanDerWaalsContact O-CG 3.22Å; D76-K79 WeakPolarHBondContact O-CG 3.43Å; D76-K79 PolarHBondContact OD1-N 3.31Å; D76-K79 VanDerWaalsContact OD1-N 3.08Å; D76-R80 WeakPolarHBondContact OD2-CB 3.48Å; D76-R80 WeakPolarHBondContact OD2-CG 3.47Å; D76-R80 PolarHBondContact OD2-N 2.76Å
77G94.2Very high95.7Very high48 Ų4875.6 Ų75.650%0.49537%0.366SS..THydrogen-bonded Turntrans67.535.8-173.200000112.9S74 K79S74-G77 PolarHBondContact O-N 3.09Å; G77-K79 PolarHBondContact O-N 3.34Å
78W94.6Very high95.3Very high100 Ų10075.6 Ų75.638%0.37937%0.369SS..SBendtrans60.825.5178.4-54.891.1000114.4G72 G73 D76 E103 K105 N129G72-W78 VanDerWaalsContact O-CZ3 3.25Å; G72-W78 WeakPolarHBondContact O-CZ3 3.43Å; G73-W78 PolarHBondContact O-N 3.04Å; G73-W78 VanDerWaalsContact O-N 3.08Å; D76-W78 WeakPolarHBondContact OD1-CA 2.97Å; D76-W78 PolarHBondContact OD1-N 3.42Å; W78-E103 HydrophobicContact CZ2-CB 3.95Å; W78-K105 HydrophobicContact CH2-CB 4.09Å; W78-K105 HydrophobicContact CZ3-CB 3.78Å; W78-N129 HydrophobicContact CH2-CB 4.45Å; W78-N129 WeakPolarHBondContact CZ2-ND2 3.29Å
79K94.9Very high95.1Very high177 Ų17777.6 Ų77.677%0.7738%0.378SS*.  trans-78-35.4-173.8-72176.4-170.7171.20112.3D76 G77D76-K79 VanDerWaalsContact O-CD 3.24Å; D76-K79 WeakPolarHBondContact O-CD 3.26Å; D76-K79 VanDerWaalsContact O-CG 3.22Å; D76-K79 WeakPolarHBondContact O-CG 3.43Å; D76-K79 PolarHBondContact OD1-N 3.31Å; D76-K79 VanDerWaalsContact OD1-N 3.08Å; G77-K79 PolarHBondContact O-N 3.34Å
80R95.2Very high94.9Very high181 Ų18179 Ų7968%0.68339%0.385SS*.  trans-119.2150.1-174.1-55.7174.6-176.7-178.71.3110.9D76D76-R80 WeakPolarHBondContact OD2-CB 3.48Å; D76-R80 WeakPolarHBondContact OD2-CG 3.47Å; D76-R80 PolarHBondContact OD2-N 2.76Å
81K95.8Very high94.8Very high86 Ų8676.8 Ų76.837%0.37438%0.376SS..  trans-105.2109.6166.3-63-178-174.8-1770107.2F70 Y107 W112F70-K81 HydrophobicContact CB-CB 3.81Å; F70-K81 HydrophobicContact CD1-CB 4.05Å; F70-K81 HydrophobicContact CG-CB 4.15Å; K81-Y107 HydrophobicContact CD-CD1 3.94Å; K81-Y107 HydrophobicContact CD-CE1 4.39Å; K81-Y107 HydrophobicContact CD-CG 3.99Å; K81-Y107 VanDerWaalsContact NZ-CD2 3.34Å; K81-W112 HydrophobicContact CD-CH2 4.49Å; K81-W112 HydrophobicContact CD-CZ2 4.39Å; K81-W112 VanDerWaalsContact CE-CZ2 3.48Å; K81-W112 HydrophobicContact CG-CH2 4.2Å; K81-W112 HydrophobicContact CG-CZ2 4.45Å
82L96.4Very high94.8Very high54 Ų5479.5 Ų79.528%0.28339%0.39SS..EExtended strand (participates in β ladder)trans-79.4120178.9-63.6174.3000109F70 V71 W75 I95F70-L82 CarbonylContact C-O 3.47Å; F70-L82 WeakPolarHBondContact CA-O 3.4Å; F70-L82 WeakPolarHBondContact CB-O 3.41Å; V71-L82 HydrophobicContact CG1-CB 3.98Å; V71-L82 PolarHBondContact N-O 3.28Å; V71-L82 PolarHBondContact O-N 3.18Å; W75-L82 HydrophobicContact CZ2-CD1 4.3Å; L82-I95 HydrophobicContact CD1-CD1 3.78Å; L82-I95 HydrophobicContact CD1-CG1 4.16Å; L82-I95 HydrophobicContact CD1-CG2 4.46Å
83P96.8Very high94.8Very high88 Ų8880.7 Ų80.757%0.57140%0.397SS*.EExtended strand (participates in β ladder)trans-65.8136.5177.627.4-33.3000110.4F70F70-P83 VanDerWaalsContact CD1-CA 3.48Å; F70-P83 HydrophobicContact CD1-CB 3.84Å; F70-P83 HydrophobicContact CE1-CB 3.79Å
84M97.8Very high94.7Very high15 Ų1585.9 Ų85.97%0.07442%0.423CS..PPolyproline II helixtrans-96.2145.1176.3-60.9-179.468.600110.5V60 W62 V69 V71 F91 T93 F106V60-M84 HydrophobicContact CG1-CE 4.37Å; V60-M84 VanDerWaalsContact O-CE 3.3Å; V60-M84 WeakPolarHBondContact O-CE 3.28Å; W62-M84 HydrophobicContact CB-CE 4.2Å; V69-M84 HydrophobicContact CB-CB 4.34Å; V69-M84 HydrophobicContact CB-SD 4.26Å; V69-M84 HydrophobicContact CG1-CG 4.32Å; V69-M84 HydrophobicContact CG1-SD 3.44Å; V69-M84 WeakPolarHBondContact CG1-SD 3.37Å; V69-M84 WeakPolarHBondContact O-CB 3.45Å; V69-M84 PolarHBondContact O-N 3.26Å; V71-M84 HydrophobicContact CB-SD 4.14Å; V71-M84 HydrophobicContact CG1-CG 4.24Å; V71-M84 HydrophobicContact CG1-SD 4.39Å; M84-F91 HydrophobicContact CB-CB 3.96Å; M84-F91 HydrophobicContact CB-CD1 4.42Å; M84-F91 HydrophobicContact CE-CB 4.19Å; M84-F91 WeakPolarHBondContact CE-O 3.25Å; M84-T93 HydrophobicContact CE-CG2 4.33Å; M84-T93 HydrophobicContact CG-CG2 3.97Å; M84-F106 HydrophobicContact CE-CE1 3.94Å; M84-F106 HydrophobicContact SD-CD1 3.79Å; M84-F106 HydrophobicContact SD-CE1 3.77Å
85V96.6Very high94.7Very high107 Ų10784.5 Ų84.565%0.64841%0.413SS*.EExtended strand (participates in β ladder)trans-83.4127.4178.9-179.10000108.9F91 I92V85-F91 CarbonylContact O-C 3.55Å; V85-F91 WeakPolarHBondContact O-CA 3.31Å; V85-I92 PolarHBondContact N-O 3.32Å; V85-I92 PolarHBondContact O-N 3.22Å
86R95.6Very high94.7Very high164 Ų16484.8 Ų84.862%0.61942%0.419SS*.EExtended strand (participates in β ladder)trans-76.3126.3174.7-171.3176.3175.9-179.10.4110.3F91R86-F91 HydrophobicContact CB-CD1 3.87Å; R86-F91 HydrophobicContact CB-CE1 3.55Å; R86-F91 HydrophobicContact CB-CZ 3.98Å; R86-F91 HydrophobicContact CG-CD1 4.32Å; R86-F91 HydrophobicContact CG-CE1 3.84Å; R86-F91 HydrophobicContact CG-CE2 4.09Å; R86-F91 HydrophobicContact CG-CZ 3.71Å
87S89.5Confident94.9Very high62 Ų6283.2 Ų83.243%0.43441%0.41SS..  trans-98.3-152.8167-171.30000109.7D90S87-D90 PolarHBondContact N-O 3.31Å
88H87.1Confident94.9Very high176 Ų17683.7 Ų83.782%0.81541%0.405SS*.SBendtrans-64.5-64.2177.4-66.3-71.7000112
89E90.1Very high94.9Very high166 Ų16684 Ų8478%0.77641%0.41SS*.SBendtrans-111.9-10.4-175.9-62.4-174.1162.700113.1
90D94.2Very high95Very high31 Ų3176.9 Ų76.917%0.16639%0.387CS..  trans-126.1160.7-169.7-57-54.6000112.3K61 W62 T63 S87 I92K61-D90 WeakPolarHBondContact CE-OD1 3.45Å; K61-D90 WeakPolarHBondContact CE-OD2 3.32Å; K61-D90 HydrophobicContact CG-CB 4.42Å; K61-D90 IonicContact NZ-OD1 3.65Å; K61-D90 IonicContact NZ-OD2 2.7Å; K61-D90 PolarHBondContact NZ-OD2 3.14Å; W62-D90 WeakPolarHBondContact O-CA 3.45Å; T63-D90 WeakPolarHBondContact CA-OD1 3.44Å; T63-D90 VanDerWaalsContact CG2-OD1 3.24Å; T63-D90 WeakPolarHBondContact CG2-OD1 3.45Å; S87-D90 PolarHBondContact N-O 3.31Å; D90-I92 HydrophobicContact CB-CG1 4.42Å
91F97.5Very high95.1Very high9 Ų975 Ų754%0.03938%0.38CS..EExtended strand (participates in β ladder)trans-110.3134.7164.6-69.9-105.9000109.2K61 W62 A66 V69 M84 V85 R86K61-F91 CarbonylContact C-O 3.58Å; K61-F91 WeakPolarHBondContact CA-O 3.45Å; W62-F91 HydrophobicContact CB-CB 4.26Å; W62-F91 PolarHBondContact N-O 3.1Å; W62-F91 PolarHBondContact O-N 3.41Å; A66-F91 HydrophobicContact CB-CE2 3.91Å; A66-F91 HydrophobicContact CB-CZ 4.23Å; A66-F91 WeakPolarHBondContact O-CZ 3.48Å; V69-F91 HydrophobicContact CB-CB 4.02Å; V69-F91 HydrophobicContact CB-CD1 3.75Å; V69-F91 HydrophobicContact CB-CD2 4.38Å; V69-F91 HydrophobicContact CB-CE1 4.25Å; V69-F91 HydrophobicContact CB-CG 3.8Å; V69-F91 HydrophobicContact CG1-CB 4.46Å; V69-F91 HydrophobicContact CG2-CB 4.08Å; V69-F91 HydrophobicContact CG2-CD1 3.69Å; V69-F91 HydrophobicContact CG2-CD2 3.57Å; V69-F91 HydrophobicContact CG2-CE1 3.9Å; V69-F91 HydrophobicContact CG2-CE2 3.81Å; V69-F91 HydrophobicContact CG2-CG 3.51Å; V69-F91 HydrophobicContact CG2-CZ 3.96Å; M84-F91 HydrophobicContact CB-CB 3.96Å; M84-F91 HydrophobicContact CB-CD1 4.42Å; M84-F91 HydrophobicContact CE-CB 4.19Å; M84-F91 WeakPolarHBondContact CE-O 3.25Å; V85-F91 CarbonylContact O-C 3.55Å; V85-F91 WeakPolarHBondContact O-CA 3.31Å; R86-F91 HydrophobicContact CB-CD1 3.87Å; R86-F91 HydrophobicContact CB-CE1 3.55Å; R86-F91 HydrophobicContact CB-CZ 3.98Å; R86-F91 HydrophobicContact CG-CD1 4.32Å; R86-F91 HydrophobicContact CG-CE1 3.84Å; R86-F91 HydrophobicContact CG-CE2 4.09Å; R86-F91 HydrophobicContact CG-CZ 3.71Å
92I97Very high95.2Very high57 Ų5771.6 Ų71.629%0.29237%0.366SS..EExtended strand (participates in β ladder)trans-134.3145-175.1-57.8173.4000110V59 V60 K61 V85 D90V59-I92 HydrophobicContact CG1-CG2 3.94Å; V60-I92 WeakPolarHBondContact O-CA 3.29Å; K61-I92 HydrophobicContact CG-CG1 4.1Å; V85-I92 PolarHBondContact N-O 3.32Å; V85-I92 PolarHBondContact O-N 3.22Å; D90-I92 HydrophobicContact CB-CG1 4.42Å
93T96.4Very high95.2Very high26 Ų2671.4 Ų71.416%0.1636%0.364CS..EExtended strand (participates in β ladder)trans-143.2158.5162.6-168.50000109.9V60 V71 M84 I95V60-T93 HydrophobicContact CB-CG2 4.08Å; V60-T93 PolarHBondContact N-O 2.86Å; V60-T93 PolarHBondContact O-N 3.32Å; V71-T93 HydrophobicContact CG1-CG2 3.74Å; M84-T93 HydrophobicContact CE-CG2 4.33Å; M84-T93 HydrophobicContact CG-CG2 3.97Å; T93-I95 HydrophobicContact CG2-CD1 4.07Å; T93-I95 HydrophobicContact CG2-CG1 3.99Å
94I96.4Very high95.3Very high108 Ų10867.8 Ų67.855%0.55434%0.339SS*.EExtended strand (participates in β ladder)trans-116.4126.4174.2-57.7178.4000107.6P57 V58 V59P57-I94 HydrophobicContact CB-CG2 3.96Å; V58-I94 VanDerWaalsContact O-CA 3.3Å; V58-I94 WeakPolarHBondContact O-CA 3.45Å; V59-I94 HydrophobicContact CG2-CG1 4.34Å
95I95Very high95.2Very high16 Ų1668 Ų688%0.08234%0.34CS..EExtended strand (participates in β ladder)trans-124.6128.2-178.1-48.8174.8000107.9V58 V60 V71 W75 L82 T93 L97V58-I95 WeakPolarHBondContact CB-O 3.35Å; V58-I95 PolarHBondContact N-O 2.97Å; V58-I95 PolarHBondContact O-N 3.33Å; V60-I95 HydrophobicContact CG2-CD1 4.1Å; V71-I95 HydrophobicContact CG1-CD1 3.87Å; W75-I95 HydrophobicContact CH2-CD1 3.93Å; W75-I95 HydrophobicContact CZ2-CD1 3.73Å; L82-I95 HydrophobicContact CD1-CD1 3.78Å; L82-I95 HydrophobicContact CD1-CG1 4.16Å; L82-I95 HydrophobicContact CD1-CG2 4.46Å; T93-I95 HydrophobicContact CG2-CD1 4.07Å; T93-I95 HydrophobicContact CG2-CG1 3.99Å; I95-L97 HydrophobicContact CB-CG 4.31Å; I95-L97 HydrophobicContact CG2-CD1 4.41Å; I95-L97 HydrophobicContact CG2-CD2 3.74Å; I95-L97 HydrophobicContact CG2-CG 3.83Å
96N95.7Very high95.3Very high73 Ų7363 Ų6339%0.3931%0.309SS..EExtended strand (participates in β ladder)trans-80.6121.6171.4-67.7-12.8000108.8E55 Y56 P57E55-N96 HydrophobicContact CB-CB 4.05Å; E55-N96 WeakPolarHBondContact OE2-CB 3.38Å; Y56-N96 WeakPolarHBondContact O-CA 3.41Å; P57-N96 WeakPolarHBondContact CA-OD1 3.42Å
97L95.8Very high95.4Very high3 Ų358 Ų582%0.01629%0.29CS..EExtended strand (participates in β ladder)trans-134142.6-175.4-67.5178.8000110.5E55 Y56 V58 W75 I95 L132 I134E55-L97 CarbonylContact C-O 3.54Å; E55-L97 WeakPolarHBondContact CA-O 3Å; Y56-L97 PolarHBondContact N-O 3.02Å; Y56-L97 PolarHBondContact O-N 2.89Å; V58-L97 HydrophobicContact CG2-CB 4.25Å; V58-L97 HydrophobicContact CG2-CD1 4.24Å; W75-L97 HydrophobicContact CB-CD2 3.53Å; W75-L97 HydrophobicContact CD2-CD2 3.65Å; W75-L97 HydrophobicContact CE3-CD1 3.88Å; W75-L97 HydrophobicContact CE3-CD2 3.78Å; W75-L97 HydrophobicContact CG-CD2 3.54Å; W75-L97 HydrophobicContact CZ3-CD1 4.09Å; I95-L97 HydrophobicContact CB-CG 4.31Å; I95-L97 HydrophobicContact CG2-CD1 4.41Å; I95-L97 HydrophobicContact CG2-CD2 3.74Å; I95-L97 HydrophobicContact CG2-CG 3.83Å; L97-L132 HydrophobicContact CD1-CD2 4.04Å; L97-I134 HydrophobicContact CB-CD1 3.37Å; L97-I134 HydrophobicContact CD1-CD1 4.12Å; L97-I134 HydrophobicContact CG-CD1 4.38Å
98P95Very high95.8Very high58 Ų5855.9 Ų55.938%0.37728%0.275SS..EExtended strand (participates in β ladder)trans-68159.417629.8-34.8000111.7G54 H102G54-P98 WeakPolarHBondContact O-CA 3.36Å; P98-H102 PolarHBondContact O-NE2 3.47Å
99E95Very high96.2Very high106 Ų10651.2 Ų51.250%0.49526%0.256SS..SBendtrans-50.9144.6172.4-157.8177.1149.800112Y56 I134Y56-E99 HydrophobicContact CE2-CB 3.99Å; Y56-E99 HydrophobicContact CE2-CG 4.47Å; E99-I134 WeakPolarHBondContact CG-O 3.35Å
100G95.7Very high96.5Very high28 Ų2845.1 Ų45.129%0.28924%0.237SC..EExtended strand (participates in β ladder)trans118.9-165.2175.300000114.5H102 I134G100-H102 PolarHBondContact O-CD2 2.85Å; G100-I134 PolarHBondContact N-O 3.36Å; G100-I134 PolarHBondContact O-N 2.98Å
101R97.5Very high96.6Very high141 Ų14149.1 Ų49.153%0.53226%0.259SS..EExtended strand (participates in β ladder)trans-89.7127.8-175.1-178.7179.8168.3117.8-6.8111T121 V131 L132 V133R101-T121 VanDerWaalsContact NH2-CB 3.35Å; R101-T121 PolarHBondContact NH2-OG1 2.87Å; R101-V131 HydrophobicContact CG-CG1 3.93Å; R101-L132 WeakPolarHBondContact CA-O 3.44Å; R101-V133 HydrophobicContact CG-CG2 4.47Å
102H97.5Very high96.5Very high15 Ų1554.2 Ų54.27%0.06928%0.278CS..EExtended strand (participates in β ladder)trans-123.5139.5175.1-61.8-82.2000110.6W75 P98 G100 L132W75-H102 HydrophobicContact CE3-CB 4.41Å; P98-H102 PolarHBondContact O-NE2 3.47Å; G100-H102 PolarHBondContact O-CD2 2.85Å; H102-L132 PolarHBondContact N-O 3.5Å; H102-L132 PolarHBondContact O-N 3.31Å
103E97.6Very high96.5Very high51 Ų5153.8 Ų53.824%0.23828%0.278CS..EExtended strand (participates in β ladder)trans-104.2139.2171.4-68.3-177.7-158.100109.5G73 S74 W78 T121 N129 N130G73-E103 CarbonylContact C-O 3.52Å; G73-E103 WeakPolarHBondContact CA-O 3.17Å; S74-E103 PolarHBondContact N-O 3.05Å; S74-E103 PolarHBondContact OG-N 2.99Å; S74-E103 PolarHBondContact OG-O 3.07Å; W78-E103 HydrophobicContact CZ2-CB 3.95Å; E103-T121 HydrophobicContact CG-CG2 4.02Å; E103-N129 HydrophobicContact CB-CB 4.21Å; E103-N129 PolarHBondContact OE2-ND2 2.92Å; E103-N130 WeakPolarHBondContact CA-O 3.46Å
104F97.7Very high96.5Very high11 Ų1153.4 Ų53.45%0.04828%0.276CS..EExtended strand (participates in β ladder)trans-146.9163.4179.772.4-78.8000111.7V60 V71 G72 W75 F106 L118 N130 L132V60-F104 HydrophobicContact CG1-CD2 4.39Å; V60-F104 HydrophobicContact CG1-CE2 4.08Å; V71-F104 HydrophobicContact CG2-CB 4.27Å; V71-F104 HydrophobicContact CG2-CD2 3.94Å; G72-F104 CarbonylContact O-C 3.59Å; G72-F104 VanDerWaalsContact O-CA 3.25Å; G72-F104 WeakPolarHBondContact O-CA 3.48Å; G72-F104 WeakPolarHBondContact O-CB 3.41Å; W75-F104 HydrophobicContact CH2-CB 3.74Å; W75-F104 HydrophobicContact CZ3-CB 3.72Å; F104-F106 HydrophobicContact CD2-CE2 4.26Å; F104-F106 HydrophobicContact CD2-CZ 4.34Å; F104-F106 HydrophobicContact CE2-CD2 4.37Å; F104-F106 HydrophobicContact CE2-CE1 4.45Å; F104-F106 AromaticContact CE2-CE2 3.56Å; F104-F106 HydrophobicContact CE2-CE2 3.56Å; F104-F106 AromaticContact CE2-CZ 3.62Å; F104-F106 HydrophobicContact CE2-CZ 3.62Å; F104-L118 HydrophobicContact CE2-CD1 4.4Å; F104-L118 HydrophobicContact CZ-CD1 3.78Å; F104-N130 HydrophobicContact CD1-CB 3.94Å; F104-N130 WeakPolarHBondContact CD1-O 3.44Å; F104-N130 HydrophobicContact CD2-CB 4.24Å; F104-N130 HydrophobicContact CE1-CB 3.46Å; F104-N130 VanDerWaalsContact CE1-CB 3.46Å; F104-N130 HydrophobicContact CE2-CB 3.81Å; F104-N130 HydrophobicContact CG-CB 4.31Å; F104-N130 HydrophobicContact CZ-CB 3.4Å; F104-N130 VanDerWaalsContact CZ-CB 3.4Å; F104-N130 PolarHBondContact N-O 3.42Å; F104-N130 PolarHBondContact O-N 2.97Å; F104-L132 HydrophobicContact CD1-CB 4.27Å; F104-L132 HydrophobicContact CE1-CB 4.02Å
105K97.3Very high96.4Very high21 Ų2149 Ų499%0.09125%0.254CS..EExtended strand (participates in β ladder)trans-149147.5178.2-158.4164.3-173.2165.20109.9G72 W78 W112 T113 S127 E128G72-K105 PolarHBondContact N-O 2.85Å; G72-K105 PolarHBondContact O-N 2.91Å; W78-K105 HydrophobicContact CH2-CB 4.09Å; W78-K105 HydrophobicContact CZ3-CB 3.78Å; K105-W112 HydrophobicContact CB-CE3 3.86Å; K105-W112 HydrophobicContact CB-CZ3 4.04Å; K105-W112 HydrophobicContact CD-CB 4.17Å; K105-W112 HydrophobicContact CD-CE3 4.22Å; K105-W112 HydrophobicContact CG-CE3 3.89Å; K105-T113 WeakPolarHBondContact CG-O 3.21Å; K105-S127 PolarHBondContact NZ-OG 2.63Å; K105-E128 VanDerWaalsContact CE-O 3.22Å; K105-E128 WeakPolarHBondContact CE-O 3.2Å; K105-E128 PolarHBondContact NZ-O 2.94Å
106F97.8Very high96.4Very high0 Ų052.6 Ų52.60%028%0.28CS..EExtended strand (participates in β ladder)trans-89.7141.9176.3-61.7-82.8000110.2V60 K61 W62 V69 F70 V71 M84 F104 V108 W112 T113 D115V60-F106 HydrophobicContact CG1-CE1 3.73Å; V60-F106 HydrophobicContact CG1-CZ 3.83Å; K61-F106 WeakPolarHBondContact O-CZ 3.3Å; W62-F106 HydrophobicContact CB-CD1 4.12Å; W62-F106 HydrophobicContact CB-CE1 3.87Å; W62-F106 HydrophobicContact CB-CZ 4.35Å; W62-F106 HydrophobicContact CD2-CD1 4.5Å; W62-F106 HydrophobicContact CD2-CG 4.38Å; W62-F106 HydrophobicContact CE3-CB 4.09Å; W62-F106 HydrophobicContact CE3-CD1 4.04Å; W62-F106 AromaticContact CE3-CD2 3.5Å; W62-F106 HydrophobicContact CE3-CD2 3.5Å; W62-F106 VanDerWaalsContact CE3-CD2 3.5Å; W62-F106 HydrophobicContact CE3-CE1 4.32Å; W62-F106 AromaticContact CE3-CE2 3.8Å; W62-F106 HydrophobicContact CE3-CE2 3.8Å; W62-F106 AromaticContact CE3-CG 3.61Å; W62-F106 HydrophobicContact CE3-CG 3.61Å; W62-F106 HydrophobicContact CE3-CZ 4.19Å; W62-F106 HydrophobicContact CZ3-CB 4.28Å; W62-F106 AromaticContact CZ3-CD2 3.77Å; W62-F106 HydrophobicContact CZ3-CD2 3.77Å; W62-F106 HydrophobicContact CZ3-CE2 4.31Å; W62-F106 HydrophobicContact CZ3-CG 4.11Å; V69-F106 HydrophobicContact CG1-CD1 4.13Å; F70-F106 CarbonylContact O-C 3.56Å; F70-F106 WeakPolarHBondContact O-CA 3.34Å; V71-F106 HydrophobicContact CB-CD1 4.46Å; M84-F106 HydrophobicContact CE-CE1 3.94Å; M84-F106 HydrophobicContact SD-CD1 3.79Å; M84-F106 HydrophobicContact SD-CE1 3.77Å; F104-F106 HydrophobicContact CD2-CE2 4.26Å; F104-F106 HydrophobicContact CD2-CZ 4.34Å; F104-F106 HydrophobicContact CE2-CD2 4.37Å; F104-F106 HydrophobicContact CE2-CE1 4.45Å; F104-F106 AromaticContact CE2-CE2 3.56Å; F104-F106 HydrophobicContact CE2-CE2 3.56Å; F104-F106 AromaticContact CE2-CZ 3.62Å; F104-F106 HydrophobicContact CE2-CZ 3.62Å; F106-V108 HydrophobicContact CB-CG2 3.9Å; F106-W112 CarbonylContact O-C 3.55Å; F106-W112 WeakPolarHBondContact O-CA 3.41Å; F106-T113 HydrophobicContact CB-CG2 4.04Å; F106-T113 PolarHBondContact N-O 3.4Å; F106-T113 PolarHBondContact O-N 3.23Å; F106-D115 HydrophobicContact CE2-CB 4.01Å
107Y97.5Very high96.4Very high60 Ų6055.2 Ų55.224%0.23530%0.295CS..EExtended strand (participates in β ladder)trans-112.399.3169.4-173.7-100.1000107.9F70 K81 G110 N111 W112F70-Y107 AromaticContact CD2-CD1 3.97Å; F70-Y107 HydrophobicContact CD2-CD1 3.97Å; F70-Y107 PolarHBondContact N-O 3.27Å; F70-Y107 PolarHBondContact O-N 3.25Å; K81-Y107 HydrophobicContact CD-CD1 3.94Å; K81-Y107 HydrophobicContact CD-CE1 4.39Å; K81-Y107 HydrophobicContact CD-CG 3.99Å; K81-Y107 VanDerWaalsContact NZ-CD2 3.34Å; Y107-G110 VanDerWaalsContact CE2-C 3.47Å; Y107-G110 WeakPolarHBondContact CE2-O 3.21Å; Y107-G110 VanDerWaalsContact CZ-C 3.43Å; Y107-G110 VanDerWaalsContact CZ-CA 3.45Å; Y107-G110 WeakPolarHBondContact OH-CA 3.4Å; Y107-G110 PolarHBondContact OH-O 3.03Å; Y107-N111 CarbonylContact C-O 3.58Å; Y107-N111 WeakPolarHBondContact CA-O 3.45Å; Y107-W112 AromaticContact CD2-CD1 3.97Å; Y107-W112 AromaticContact CD2-CD2 3.74Å; Y107-W112 HydrophobicContact CD2-CD2 3.74Å; Y107-W112 AromaticContact CD2-CE2 3.72Å; Y107-W112 HydrophobicContact CD2-CE3 4.27Å; Y107-W112 AromaticContact CD2-CG 3.93Å; Y107-W112 HydrophobicContact CD2-CG 3.93Å; Y107-W112 HydrophobicContact CD2-CZ2 4.29Å; Y107-W112 AromaticContact CD2-NE1 3.84Å; Y107-W112 HydrophobicContact CG-CD2 4.49Å
108V97.5Very high96.4Very high18 Ų1858.2 Ų58.211%0.10931%0.31CS..EExtended strand (participates in β ladder)trans-110.8119-170.4179.90000108.6W62 A66 V69 F106 G110 N111 T113W62-V108 HydrophobicContact CD2-CG2 4.14Å; W62-V108 HydrophobicContact CH2-CG2 4.24Å; W62-V108 HydrophobicContact CZ2-CG1 4.41Å; W62-V108 HydrophobicContact CZ2-CG2 3.82Å; A66-V108 HydrophobicContact CB-CG1 3.53Å; V69-V108 HydrophobicContact CG1-CG2 3.99Å; V69-V108 HydrophobicContact CG2-CG1 4.4Å; V69-V108 HydrophobicContact CG2-CG2 4.27Å; F106-V108 HydrophobicContact CB-CG2 3.9Å; V108-G110 PolarHBondContact O-N 3.2Å; V108-N111 PolarHBondContact N-O 3.03Å; V108-N111 PolarHBondContact O-N 2.92Å; V108-T113 HydrophobicContact CB-CG2 3.92Å; V108-T113 HydrophobicContact CG2-CG2 3.46Å; V108-T113 VanDerWaalsContact CG2-CG2 3.46Å
109D96.4Very high96.4Very high77 Ų7759.6 Ų59.641%0.41232%0.319SS..THydrogen-bonded Turntrans47.836.6175.9-66.5-22.5000114.8A66 K67 Q68A66-D109 WeakPolarHBondContact CA-OD2 3.41Å; K67-D109 WeakPolarHBondContact CA-OD1 3.45Å; K67-D109 VanDerWaalsContact CB-OD1 3.28Å; K67-D109 WeakPolarHBondContact CB-OD1 3.47Å; K67-D109 VanDerWaalsContact N-CG 3.34Å; K67-D109 PolarHBondContact N-OD1 3.12Å; K67-D109 PolarHBondContact N-OD2 3.31Å; Q68-D109 PolarHBondContact N-OD1 3.3Å; Q68-D109 PolarHBondContact O-N 2.69Å
110G95.7Very high96.5Very high38 Ų3858.5 Ų58.539%0.39231%0.313SS..THydrogen-bonded Turntrans98.4-6.6178.600000115.4Y107 V108Y107-G110 VanDerWaalsContact CE2-C 3.47Å; Y107-G110 WeakPolarHBondContact CE2-O 3.21Å; Y107-G110 VanDerWaalsContact CZ-C 3.43Å; Y107-G110 VanDerWaalsContact CZ-CA 3.45Å; Y107-G110 WeakPolarHBondContact OH-CA 3.4Å; Y107-G110 PolarHBondContact OH-O 3.03Å; V108-G110 PolarHBondContact O-N 3.2Å
111N96.4Very high96.6Very high116 Ų11659 Ų5962%0.6231%0.31SS*.EExtended strand (participates in β ladder)trans-119.8139.2-174.6-62.5-56.3000112Y107 V108Y107-N111 CarbonylContact C-O 3.58Å; Y107-N111 WeakPolarHBondContact CA-O 3.45Å; V108-N111 PolarHBondContact N-O 3.03Å; V108-N111 PolarHBondContact O-N 2.92Å
112W95.7Very high96.6Very high116 Ų11658.4 Ų58.444%0.43932%0.318SS..EExtended strand (participates in β ladder)trans-77.3128171.4-73.5109.2000110.5K81 K105 F106 Y107K81-W112 HydrophobicContact CD-CH2 4.49Å; K81-W112 HydrophobicContact CD-CZ2 4.39Å; K81-W112 VanDerWaalsContact CE-CZ2 3.48Å; K81-W112 HydrophobicContact CG-CH2 4.2Å; K81-W112 HydrophobicContact CG-CZ2 4.45Å; K105-W112 HydrophobicContact CB-CE3 3.86Å; K105-W112 HydrophobicContact CB-CZ3 4.04Å; K105-W112 HydrophobicContact CD-CB 4.17Å; K105-W112 HydrophobicContact CD-CE3 4.22Å; K105-W112 HydrophobicContact CG-CE3 3.89Å; F106-W112 CarbonylContact O-C 3.55Å; F106-W112 WeakPolarHBondContact O-CA 3.41Å; Y107-W112 AromaticContact CD2-CD1 3.97Å; Y107-W112 AromaticContact CD2-CD2 3.74Å; Y107-W112 HydrophobicContact CD2-CD2 3.74Å; Y107-W112 AromaticContact CD2-CE2 3.72Å; Y107-W112 HydrophobicContact CD2-CE3 4.27Å; Y107-W112 AromaticContact CD2-CG 3.93Å; Y107-W112 HydrophobicContact CD2-CG 3.93Å; Y107-W112 HydrophobicContact CD2-CZ2 4.29Å; Y107-W112 AromaticContact CD2-NE1 3.84Å; Y107-W112 HydrophobicContact CG-CD2 4.49Å
113T96.5Very high96.3Very high47 Ų4758.6 Ų58.629%0.28832%0.319SS..EExtended strand (participates in β ladder)trans-144.9160.5-177.7-170.30000111.4W62 K105 F106 V108W62-T113 HydrophobicContact CH2-CG2 3.51Å; W62-T113 HydrophobicContact CZ2-CG2 4.16Å; W62-T113 HydrophobicContact CZ3-CG2 3.89Å; K105-T113 WeakPolarHBondContact CG-O 3.21Å; F106-T113 HydrophobicContact CB-CG2 4.04Å; F106-T113 PolarHBondContact N-O 3.4Å; F106-T113 PolarHBondContact O-N 3.23Å; V108-T113 HydrophobicContact CB-CG2 3.92Å; V108-T113 HydrophobicContact CG2-CG2 3.46Å; V108-T113 VanDerWaalsContact CG2-CG2 3.46Å
114C96.2Very high95.9Very high18 Ų1862.8 Ų62.812%0.12235%0.351CS..  trans-117.3146.8175.3-700000109.4S116 K120 E128 N130C114-S116 PolarHBondContact O-N 3.4Å; C114-K120 HydrophobicContact CB-CD 4.45Å; C114-E128 PolarHBondContact SG-O 3.35Å; C114-N130 WeakPolarHBondContact CA-OD1 3.26Å; C114-N130 VanDerWaalsContact CB-OD1 3.32Å; C114-N130 WeakPolarHBondContact CB-OD1 3.26Å
115D95.6Very high95.6Very high15 Ų1569.9 Ų69.98%0.0839%0.389CS..  trans-69.2128166-169.2-24.7000108.8W62 F106 N117 L118 K120 N130W62-D115 HydrophobicContact CZ3-CB 4.34Å; F106-D115 HydrophobicContact CE2-CB 4.01Å; D115-N117 VanDerWaalsContact C-N 3.28Å; D115-N117 WeakPolarHBondContact OD1-CB 3.49Å; D115-N117 PolarHBondContact OD1-N 3.1Å; D115-N117 PolarHBondContact OD1-ND2 3.22Å; D115-L118 HydrophobicContact CB-CB 4.29Å; D115-L118 HydrophobicContact CB-CD1 3.84Å; D115-L118 HydrophobicContact CB-CG 3.91Å; D115-K120 VanDerWaalsContact O-CE 3.28Å; D115-K120 WeakPolarHBondContact O-CE 3.42Å; D115-N130 PolarHBondContact N-OD1 2.91Å; D115-N130 PolarHBondContact O-ND2 3.1Å
116S94.5Very high95.3Very high92 Ų9272.6 Ų72.664%0.64342%0.422SS*.THydrogen-bonded Turntrans-72.1-22178.853.30000113.4C114C114-S116 PolarHBondContact O-N 3.4Å
117N94.6Very high95Very high129 Ų12974.9 Ų74.969%0.6944%0.438SS*.THydrogen-bonded Turntrans-87.4-10.6-176.9-55.3-53.4000112.9D115D115-N117 VanDerWaalsContact C-N 3.28Å; D115-N117 WeakPolarHBondContact OD1-CB 3.49Å; D115-N117 PolarHBondContact OD1-N 3.1Å; D115-N117 PolarHBondContact OD1-ND2 3.22Å
118L95.8Very high95Very high65 Ų6576 Ų7634%0.3445%0.445SS..SBendtrans-99.5150.4179-59.5-179.5000110.4F104 D115 K120F104-L118 HydrophobicContact CE2-CD1 4.4Å; F104-L118 HydrophobicContact CZ-CD1 3.78Å; D115-L118 HydrophobicContact CB-CB 4.29Å; D115-L118 HydrophobicContact CB-CD1 3.84Å; D115-L118 HydrophobicContact CB-CG 3.91Å; L118-K120 WeakPolarHBondContact O-CG 3.17Å
119P96.7Very high95Very high88 Ų8875.5 Ų75.557%0.57144%0.442SS*.  trans-52146.2173.7-26.535.5000112N130 V131P119-N130 CarbonylContact O-C 3.57Å; P119-N130 VanDerWaalsContact O-CA 3.29Å; P119-N130 WeakPolarHBondContact O-CA 3.47Å; P119-N130 PolarHBondContact O-ND2 2.98Å; P119-V131 HydrophobicContact CB-CB 4.36Å; P119-V131 PolarHBondContact O-N 2.96Å
120K97.1Very high95.1Very high83 Ų8371.9 Ų71.936%0.36142%0.423SS..EExtended strand (participates in β ladder)trans-130.8162.4-177.1-60.9-172.8-175.31780112.6C114 D115 L118 E128 N129C114-K120 HydrophobicContact CB-CD 4.45Å; D115-K120 VanDerWaalsContact O-CE 3.28Å; D115-K120 WeakPolarHBondContact O-CE 3.42Å; L118-K120 WeakPolarHBondContact O-CG 3.17Å; K120-E128 HydrophobicContact CD-CB 4.35Å; K120-E128 WeakPolarHBondContact CD-OE2 3.19Å; K120-E128 IonicContact NZ-OE2 2.85Å; K120-E128 PolarHBondContact NZ-OE2 3.32Å; K120-N129 CarbonylContact C-O 3.44Å; K120-N129 WeakPolarHBondContact CA-O 3.47Å
121T97.3Very high95.2Very high37 Ų3770.7 Ų70.723%0.22741%0.408CS..EExtended strand (participates in β ladder)trans-144.8148.5172.2-167.70000110R101 E103 E128 N129 V131R101-T121 VanDerWaalsContact NH2-CB 3.35Å; R101-T121 PolarHBondContact NH2-OG1 2.87Å; E103-T121 HydrophobicContact CG-CG2 4.02Å; T121-E128 CarbonylContact O-C 3.54Å; T121-E128 WeakPolarHBondContact O-CA 3.35Å; T121-N129 HydrophobicContact CG2-CB 4.29Å; T121-N129 PolarHBondContact N-O 3.49Å; T121-N129 PolarHBondContact O-N 3Å; T121-V131 HydrophobicContact CG2-CG2 3.51Å
122D96.5Very high95.2Very high129 Ų12967.3 Ų67.369%0.6939%0.389SS*.EExtended strand (participates in β ladder)trans-67.8141.1170.4-65.8-38.2000110.2
123N91.5Very high95.2Very high19 Ų1966 Ų6610%0.10240%0.395CS..  trans-107.4159.317573.333.1000111.7L125 G126 S127 N129N123-L125 PolarHBondContact O-N 2.7Å; N123-L125 WeakPolarHBondContact OD1-CB 3.45Å; N123-L125 PolarHBondContact OD1-N 3.12Å; N123-L125 VanDerWaalsContact OD1-N 3.1Å; N123-G126 PolarHBondContact O-N 2.91Å; N123-G126 PolarHBondContact OD1-N 3.45Å; N123-S127 PolarHBondContact N-O 3.13Å; N123-S127 PolarHBondContact ND2-O 2.94Å; N123-S127 PolarHBondContact ND2-OG 3.07Å; N123-S127 PolarHBondContact OD1-N 2.95Å; N123-S127 PolarHBondContact OD1-O 3.11Å; N123-S127 PolarHBondContact OD1-OG 2.84Å; N123-S127 VanDerWaalsContact OD1-OG 3.11Å; N123-N129 PolarHBondContact ND2-OD1 2.94Å
124P90.6Very high95.1Very high139 Ų13964.1 Ų64.190%0.90338%0.382SS*.THydrogen-bonded Turntrans-62.3-11.2-177.2-25.235.5000115.5
125L90.8Very high94.9Very high161 Ų16166.4 Ų66.484%0.84339%0.394SS*.THydrogen-bonded Turntrans-93.44.7179.5-59.1174.7000112.5N123N123-L125 PolarHBondContact O-N 2.7Å; N123-L125 WeakPolarHBondContact OD1-CB 3.45Å; N123-L125 PolarHBondContact OD1-N 3.12Å; N123-L125 VanDerWaalsContact OD1-N 3.1Å
126G90.5Very high94.6Very high77 Ų7772.6 Ų72.679%0.79442%0.416SS*.SBendtrans79.520.9179.500000114.2N123N123-G126 PolarHBondContact O-N 2.91Å; N123-G126 PolarHBondContact OD1-N 3.45Å
127S92.7Very high94.3Very high48 Ų4869.5 Ų69.534%0.33640%0.396SS..SBendtrans-124.3179.2171.364.20000110.8K105 N123K105-S127 PolarHBondContact NZ-OG 2.63Å; N123-S127 PolarHBondContact N-O 3.13Å; N123-S127 PolarHBondContact ND2-O 2.94Å; N123-S127 PolarHBondContact ND2-OG 3.07Å; N123-S127 PolarHBondContact OD1-N 2.95Å; N123-S127 PolarHBondContact OD1-O 3.11Å; N123-S127 PolarHBondContact OD1-OG 2.84Å; N123-S127 VanDerWaalsContact OD1-OG 3.11Å
128E96.6Very high94Very high83 Ų8366.4 Ų66.439%0.38838%0.379SS..EExtended strand (participates in β ladder)trans-99155.5179.2-58.4179.6135.200112.2K105 C114 K120 T121K105-E128 VanDerWaalsContact CE-O 3.22Å; K105-E128 WeakPolarHBondContact CE-O 3.2Å; K105-E128 PolarHBondContact NZ-O 2.94Å; C114-E128 PolarHBondContact SG-O 3.35Å; K120-E128 HydrophobicContact CD-CB 4.35Å; K120-E128 WeakPolarHBondContact CD-OE2 3.19Å; K120-E128 IonicContact NZ-OE2 2.85Å; K120-E128 PolarHBondContact NZ-OE2 3.32Å; T121-E128 CarbonylContact O-C 3.54Å; T121-E128 WeakPolarHBondContact O-CA 3.35Å
129N97.7Very high93.7Very high9 Ų967 Ų675%0.04838%0.378CS..EExtended strand (participates in β ladder)trans-121.1151.8163.2-65.8-19.7000109.3W78 E103 K120 T121 N123W78-N129 HydrophobicContact CH2-CB 4.45Å; W78-N129 WeakPolarHBondContact CZ2-ND2 3.29Å; E103-N129 HydrophobicContact CB-CB 4.21Å; E103-N129 PolarHBondContact OE2-ND2 2.92Å; K120-N129 CarbonylContact C-O 3.44Å; K120-N129 WeakPolarHBondContact CA-O 3.47Å; T121-N129 HydrophobicContact CG2-CB 4.29Å; T121-N129 PolarHBondContact N-O 3.49Å; T121-N129 PolarHBondContact O-N 3Å; N123-N129 PolarHBondContact ND2-OD1 2.94Å
130N97.8Very high93.4Very high0 Ų067.4 Ų67.40%037%0.372CS..EExtended strand (participates in β ladder)trans-76.1151.9164.4-71.5120000110.1E103 F104 C114 D115 P119E103-N130 WeakPolarHBondContact CA-O 3.46Å; F104-N130 HydrophobicContact CD1-CB 3.94Å; F104-N130 WeakPolarHBondContact CD1-O 3.44Å; F104-N130 HydrophobicContact CD2-CB 4.24Å; F104-N130 HydrophobicContact CE1-CB 3.46Å; F104-N130 VanDerWaalsContact CE1-CB 3.46Å; F104-N130 HydrophobicContact CE2-CB 3.81Å; F104-N130 HydrophobicContact CG-CB 4.31Å; F104-N130 HydrophobicContact CZ-CB 3.4Å; F104-N130 VanDerWaalsContact CZ-CB 3.4Å; F104-N130 PolarHBondContact N-O 3.42Å; F104-N130 PolarHBondContact O-N 2.97Å; C114-N130 WeakPolarHBondContact CA-OD1 3.26Å; C114-N130 VanDerWaalsContact CB-OD1 3.32Å; C114-N130 WeakPolarHBondContact CB-OD1 3.26Å; D115-N130 PolarHBondContact N-OD1 2.91Å; D115-N130 PolarHBondContact O-ND2 3.1Å; P119-N130 CarbonylContact O-C 3.57Å; P119-N130 VanDerWaalsContact O-CA 3.29Å; P119-N130 WeakPolarHBondContact O-CA 3.47Å; P119-N130 PolarHBondContact O-ND2 2.98Å
131V97.8Very high93Very high13 Ų1367.5 Ų67.58%0.07938%0.379CS..EExtended strand (participates in β ladder)trans-118.9133-178.7-179.20000109.5R101 P119 T121 V133R101-V131 HydrophobicContact CG-CG1 3.93Å; P119-V131 HydrophobicContact CB-CB 4.36Å; P119-V131 PolarHBondContact O-N 2.96Å; T121-V131 HydrophobicContact CG2-CG2 3.51Å; V131-V133 HydrophobicContact CG1-CG2 4.3Å
132L95.9Very high92.7Very high45 Ų4571.2 Ų71.224%0.23639%0.392CS..EExtended strand (participates in β ladder)trans-117.2136.1169.1175.376.1000108.2V58 L97 R101 H102 F104 I134V58-L132 HydrophobicContact CB-CD2 4.26Å; V58-L132 HydrophobicContact CG1-CD1 4.14Å; V58-L132 HydrophobicContact CG1-CD2 3.44Å; V58-L132 VanDerWaalsContact CG1-CD2 3.44Å; V58-L132 HydrophobicContact CG1-CG 4.43Å; V58-L132 HydrophobicContact CG2-CD2 3.99Å; L97-L132 HydrophobicContact CD1-CD2 4.04Å; R101-L132 WeakPolarHBondContact CA-O 3.44Å; H102-L132 PolarHBondContact N-O 3.5Å; H102-L132 PolarHBondContact O-N 3.31Å; F104-L132 HydrophobicContact CD1-CB 4.27Å; F104-L132 HydrophobicContact CE1-CB 4.02Å; L132-I134 HydrophobicContact CD2-CD1 3.94Å; L132-I134 HydrophobicContact CD2-CG1 3.8Å; L132-I134 HydrophobicContact CG-CG1 4.03Å
133V96.2Very high92.4Very high90 Ų9068.7 Ų68.755%0.54538%0.379SS..EExtended strand (participates in β ladder)trans-118.2123169.8-178.20000107.2R101 V131R101-V133 HydrophobicContact CG-CG2 4.47Å; V131-V133 HydrophobicContact CG1-CG2 4.3Å
134I94.9Very high92.3Very high6 Ų668.7 Ų68.73%0.03138%0.381CS..EExtended strand (participates in β ladder)trans-102.4110.5178.5-59.2174000106.2Y56 V58 L97 E99 G100 L132 Y139Y56-I134 HydrophobicContact CD2-CG2 3.75Å; Y56-I134 HydrophobicContact CE2-CG2 4.49Å; Y56-I134 HydrophobicContact CG-CG2 4.17Å; V58-I134 HydrophobicContact CG2-CD1 3.43Å; V58-I134 VanDerWaalsContact CG2-CD1 3.43Å; V58-I134 HydrophobicContact CG2-CG1 3.95Å; L97-I134 HydrophobicContact CB-CD1 3.37Å; L97-I134 HydrophobicContact CD1-CD1 4.12Å; L97-I134 HydrophobicContact CG-CD1 4.38Å; E99-I134 WeakPolarHBondContact CG-O 3.35Å; G100-I134 PolarHBondContact N-O 3.36Å; G100-I134 PolarHBondContact O-N 2.98Å; L132-I134 HydrophobicContact CD2-CD1 3.94Å; L132-I134 HydrophobicContact CD2-CG1 3.8Å; L132-I134 HydrophobicContact CG-CG1 4.03Å; I134-Y139 HydrophobicContact CG2-CE2 3.72Å
135D92Very high92.3Very high67 Ų6765.7 Ų65.736%0.35836%0.357SS..  trans-101139.7169.4-166.3-39.7000108.5A137 D138 Y139D135-A137 PolarHBondContact O-N 3.28Å; D135-A137 WeakPolarHBondContact OD1-CB 3.48Å; D135-A137 PolarHBondContact OD1-N 3.38Å; D135-D138 WeakPolarHBondContact O-CB 3.22Å; D135-D138 PolarHBondContact O-N 2.77Å; D135-D138 VanDerWaalsContact O-N 3.11Å; D135-Y139 WeakPolarHBondContact O-CD2 3.43Å
136R89.1Confident92.2Very high144 Ų14464.5 Ų64.554%0.54335%0.348SS..G310 helixtrans-55.7-35.4172.7177.3170.8-176.7176.21.5112.4Y56 D138 Y139Y56-R136 HydrophobicContact CE1-CG 4.48Å; Y56-R136 WeakPolarHBondContact OH-CB 3.35Å; Y56-R136 WeakPolarHBondContact OH-CD 3.24Å; Y56-R136 VanDerWaalsContact OH-CG 3.26Å; Y56-R136 WeakPolarHBondContact OH-CG 3.28Å; R136-D138 PolarHBondContact O-N 3.09Å; R136-Y139 PolarHBondContact O-N 3.1Å
137A87.6Confident92Very high27 Ų2764.9 Ų64.922%0.22333%0.327CS..G310 helixtrans-60.6-27.6179.300000112.7D135 Y139 E140 D143 A144D135-A137 PolarHBondContact O-N 3.28Å; D135-A137 WeakPolarHBondContact OD1-CB 3.48Å; D135-A137 PolarHBondContact OD1-N 3.38Å; A137-Y139 PolarHBondContact O-N 2.79Å; A137-E140 PolarHBondContact O-N 3.11Å; A137-D143 HydrophobicContact CB-CB 4.21Å; A137-A144 PolarHBondContact O-N 3.21Å
138D88.4Confident91.8Very high65 Ų6567.1 Ų67.135%0.34834%0.336SS..G310 helixtrans-71-12.8178.6-59-28.2000112.4D135 R136 K147D135-D138 WeakPolarHBondContact O-CB 3.22Å; D135-D138 PolarHBondContact O-N 2.77Å; D135-D138 VanDerWaalsContact O-N 3.11Å; R136-D138 PolarHBondContact O-N 3.09Å; D138-K147 IonicContact OD1-NZ 3.45Å; D138-K147 PolarHBondContact OD1-NZ 3.26Å; D138-K147 IonicContact OD2-NZ 3.7Å
139Y89.8Confident91.4Very high78 Ų7870.1 Ų70.131%0.30635%0.35SS..G310 helixtrans-105.4-10.4178.9-67.6-88.3000113.7Y56 P57 V58 I134 D135 R136 A137Y56-Y139 VanDerWaalsContact CB-CE2 3.48Å; Y56-Y139 AromaticContact CD1-CD1 3.8Å; Y56-Y139 HydrophobicContact CD1-CD1 3.8Å; Y56-Y139 AromaticContact CD1-CD2 3.37Å; Y56-Y139 HydrophobicContact CD1-CD2 3.37Å; Y56-Y139 HydrophobicContact CD1-CE1 4.25Å; Y56-Y139 AromaticContact CD1-CE2 3.88Å; Y56-Y139 HydrophobicContact CD1-CE2 3.88Å; Y56-Y139 AromaticContact CD1-CG 3.33Å; Y56-Y139 HydrophobicContact CD1-CG 3.33Å; Y56-Y139 AromaticContact CE1-CD2 3.97Å; Y56-Y139 HydrophobicContact CE1-CD2 3.97Å; Y56-Y139 AromaticContact CE1-CG 3.99Å; Y56-Y139 HydrophobicContact CE1-CG 3.99Å; Y56-Y139 HydrophobicContact CG-CD1 4.35Å; Y56-Y139 AromaticContact CG-CD2 3.72Å; Y56-Y139 HydrophobicContact CG-CD2 3.72Å; Y56-Y139 HydrophobicContact CG-CE1 4.34Å; Y56-Y139 AromaticContact CG-CE2 3.73Å; Y56-Y139 HydrophobicContact CG-CE2 3.73Å; Y56-Y139 HydrophobicContact CG-CG 4.05Å; P57-Y139 HydrophobicContact CG-CE1 4.12Å; P57-Y139 VanDerWaalsContact O-CE1 3.26Å; P57-Y139 WeakPolarHBondContact O-CE1 3.38Å; P57-Y139 PolarHBondContact O-OH 2.81Å; V58-Y139 WeakPolarHBondContact CG2-OH 3.18Å; I134-Y139 HydrophobicContact CG2-CE2 3.72Å; D135-Y139 WeakPolarHBondContact O-CD2 3.43Å; R136-Y139 PolarHBondContact O-N 3.1Å; A137-Y139 PolarHBondContact O-N 2.79Å
140E90.3Very high90.8Very high96 Ų9673.5 Ų73.545%0.44938%0.378SS..SBendtrans-89109.6167.9-67.8-63.315900108.1A137 F142 D143 A144A137-E140 PolarHBondContact O-N 3.11Å; E140-F142 PolarHBondContact O-N 3.25Å; E140-D143 HydrophobicContact CB-CB 4.02Å; E140-D143 WeakPolarHBondContact CB-OD2 3.32Å; E140-D143 PolarHBondContact O-N 3.22Å; E140-A144 PolarHBondContact O-N 3.28Å
141V89.1Confident90.1Very high84 Ų8479 Ų7951%0.50941%0.408SS..Hα-helixtrans-52.7-39.1-168.3175.20000113.2I37 L145I37-V141 HydrophobicContact CD1-CG1 4.38Å; V141-L145 HydrophobicContact CG1-CD1 4.1Å; V141-L145 WeakPolarHBondContact O-CB 3.19Å; V141-L145 WeakPolarHBondContact O-CG 3.4Å; V141-L145 PolarHBondContact O-N 3.12Å; V141-L145 VanDerWaalsContact O-N 3.12Å
142F90.9Very high89.2Confident115 Ų11581.4 Ų81.450%0.50443%0.425SS..Hα-helixtrans-73.7-38.7-179.6-63.7-66.7000112.5I37 E140 L145 E146I37-F142 HydrophobicContact CB-CE1 4.39Å; I37-F142 HydrophobicContact CB-CZ 3.82Å; I37-F142 HydrophobicContact CD1-CE1 4.28Å; I37-F142 HydrophobicContact CD1-CZ 4.26Å; I37-F142 HydrophobicContact CG2-CE2 4.19Å; I37-F142 HydrophobicContact CG2-CZ 3.63Å; E140-F142 PolarHBondContact O-N 3.25Å; F142-L145 PolarHBondContact O-N 3.11Å; F142-E146 WeakPolarHBondContact O-CB 3.42Å; F142-E146 PolarHBondContact O-N 2.92Å
143D90.2Very high87.8Confident77 Ų7786.8 Ų86.841%0.41245%0.449SS..Hα-helixtrans-71-40.9-179-59-9.8000109.9A137 E140 L145 E146 K147A137-D143 HydrophobicContact CB-CB 4.21Å; E140-D143 HydrophobicContact CB-CB 4.02Å; E140-D143 WeakPolarHBondContact CB-OD2 3.32Å; E140-D143 PolarHBondContact O-N 3.22Å; D143-L145 PolarHBondContact O-N 3.34Å; D143-E146 PolarHBondContact O-N 3.06Å; D143-K147 WeakPolarHBondContact O-CB 3.41Å; D143-K147 PolarHBondContact O-N 2.83Å
144A89.4Confident86Confident19 Ų1987.1 Ų87.116%0.15746%0.461CS..Hα-helixtrans-58.9-46.317200000111.6A137 E140 K147 D148A137-A144 PolarHBondContact O-N 3.21Å; E140-A144 PolarHBondContact O-N 3.28Å; A144-K147 PolarHBondContact O-N 2.88Å; A144-D148 WeakPolarHBondContact O-CB 3.4Å; A144-D148 PolarHBondContact O-N 3.06Å
145L91.1Very high84.1Confident76 Ų7690.2 Ų90.240%0.39849%0.494SS..Hα-helixtrans-66.1-37177.3-75.5173.8000112.9V141 F142 D143 Q149V141-L145 HydrophobicContact CG1-CD1 4.1Å; V141-L145 WeakPolarHBondContact O-CB 3.19Å; V141-L145 WeakPolarHBondContact O-CG 3.4Å; V141-L145 PolarHBondContact O-N 3.12Å; V141-L145 VanDerWaalsContact O-N 3.12Å; F142-L145 PolarHBondContact O-N 3.11Å; D143-L145 PolarHBondContact O-N 3.34Å; L145-Q149 WeakPolarHBondContact O-CB 3.25Å; L145-Q149 WeakPolarHBondContact O-CG 3.42Å; L145-Q149 PolarHBondContact O-N 3.22Å
146E88.9Confident82.2Confident136 Ų13689.9 Ų89.964%0.63650%0.497SS*.Hα-helixtrans-65.6-43.8176.6-177.4172.4-176.400111.2F142 D143 Q149 A150F142-E146 WeakPolarHBondContact O-CB 3.42Å; F142-E146 PolarHBondContact O-N 2.92Å; D143-E146 PolarHBondContact O-N 3.06Å; E146-Q149 PolarHBondContact O-N 3.25Å; E146-A150 WeakPolarHBondContact O-CB 3.09Å; E146-A150 PolarHBondContact O-N 3.5Å
147K86Confident80.4Confident84 Ų8490.5 Ų90.537%0.36551%0.512SS..Hα-helixtrans-62.8-47.3175.4-175.1177.3171.7-1730111.6D138 D143 A144 Q149 A150 D151D138-K147 IonicContact OD1-NZ 3.45Å; D138-K147 PolarHBondContact OD1-NZ 3.26Å; D138-K147 IonicContact OD2-NZ 3.7Å; D143-K147 WeakPolarHBondContact O-CB 3.41Å; D143-K147 PolarHBondContact O-N 2.83Å; A144-K147 PolarHBondContact O-N 2.88Å; K147-Q149 VanDerWaalsContact C-N 3.29Å; K147-Q149 PolarHBondContact O-N 3.4Å; K147-A150 PolarHBondContact O-N 3.05Å; K147-A150 VanDerWaalsContact O-N 3.13Å; K147-D151 PolarHBondContact O-N 2.89Å
148D88Confident78.6Confident96 Ų9698 Ų9851%0.51354%0.539SS..Hα-helixtrans-60.7-38.4176.1-76.9-8.3000111.8A144 S152A144-D148 WeakPolarHBondContact O-CB 3.4Å; A144-D148 PolarHBondContact O-N 3.06Å; D148-S152 WeakPolarHBondContact O-CB 3.49Å; D148-S152 PolarHBondContact O-N 3.45Å; D148-S152 PolarHBondContact O-OG 3.11Å
149Q87.3Confident76.6Confident146 Ų14697.3 Ų97.368%0.68255%0.548SS*.Hα-helixtrans-67.2-38.4175.2-78.5177.910.900112.4L145 E146 K147 S152L145-Q149 WeakPolarHBondContact O-CB 3.25Å; L145-Q149 WeakPolarHBondContact O-CG 3.42Å; L145-Q149 PolarHBondContact O-N 3.22Å; E146-Q149 PolarHBondContact O-N 3.25Å; K147-Q149 VanDerWaalsContact C-N 3.29Å; K147-Q149 PolarHBondContact O-N 3.4Å; Q149-S152 PolarHBondContact O-N 2.9Å
150A85.7Confident74.5Confident79 Ų7999 Ų9965%0.65357%0.571SS**Hα-helixtrans-68.2-38.5177.500000112.2E146 K147E146-A150 WeakPolarHBondContact O-CB 3.09Å; E146-A150 PolarHBondContact O-N 3.5Å; K147-A150 PolarHBondContact O-N 3.05Å; K147-A150 VanDerWaalsContact O-N 3.13Å
151D83Confident72Confident117 Ų11797.9 Ų97.963%0.62659%0.585SS**Hα-helixtrans-76-27177-70.9-21.4000112K147 H153K147-D151 PolarHBondContact O-N 2.89Å; D151-H153 PolarHBondContact O-N 3.15Å; D151-H153 VanDerWaalsContact O-N 3.11Å
152S78.8Confident69.8Low63 Ų63100.5 Ų100.544%0.44160%0.601SS.*  trans-72.1102.3174.3-65.20000110.9D148 Q149 A154D148-S152 WeakPolarHBondContact O-CB 3.49Å; D148-S152 PolarHBondContact O-N 3.45Å; D148-S152 PolarHBondContact O-OG 3.11Å; Q149-S152 PolarHBondContact O-N 2.9Å; S152-A154 PolarHBondContact O-N 3.31Å
153H66.3Low67.3Low157 Ų157100.4 Ų100.473%0.72761%0.614SS**G310 helixtrans-59.91.8164.9-68.7-49.1000114.4D151 G155 S156D151-H153 PolarHBondContact O-N 3.15Å; D151-H153 VanDerWaalsContact O-N 3.11Å; H153-G155 PolarHBondContact O-N 2.85Å; H153-G155 VanDerWaalsContact O-N 3.12Å; H153-S156 PolarHBondContact O-N 2.89Å
154A59.6Low65Low98 Ų98101.7 Ų101.781%0.8163%0.63SS**G310 helixtrans-57.9-23.8-178.300000114.2S152S152-A154 PolarHBondContact O-N 3.31Å
155G54.3Low62.6Low70 Ų70109.2 Ų109.272%0.72267%0.667SS**G310 helixtrans-88.8-18.9173.500000114.6H153 N157H153-G155 PolarHBondContact O-N 2.85Å; H153-G155 VanDerWaalsContact O-N 3.12Å; G155-N157 PolarHBondContact O-N 2.94Å; G155-N157 VanDerWaalsContact O-N 3.07Å
156S53.2Low60.1Low60 Ų60109 Ų10942%0.4268%0.683SS.*  trans-8393176.5-165.20000107.6H153 K158H153-S156 PolarHBondContact O-N 2.89Å; S156-K158 PolarHBondContact O-N 3.43Å
157N50.4Low57.7Low158 Ų158108.5 Ų108.585%0.84570%0.695SS**  trans-67.264.4166.8-151.419.7000108.8G155 G159G155-N157 PolarHBondContact O-N 2.94Å; G155-N157 VanDerWaalsContact O-N 3.07Å; N157-G159 PolarHBondContact O-N 3.26Å
158K50.3Low55.8Low183 Ų183112.8 Ų112.880%0.79672%0.716SS**  trans-72.560.6159.2-79.7-178.5-178.6177.70107.6S156 S160S156-K158 PolarHBondContact O-N 3.43Å; K158-S160 PolarHBondContact O-N 2.83Å
159G46.9Very low53.9Low52 Ų52113.3 Ų113.354%0.53672%0.723SS.*  trans-60.2103.6161.300000107.7N157N157-G159 PolarHBondContact O-N 3.26Å
160S44.3Very low52.4Low112 Ų112110.4 Ų110.478%0.78373%0.732SS**SBendtrans4891154.258.90000116.9K158K158-S160 PolarHBondContact O-N 2.83Å
161G38.6Very low51.4Low73 Ų73113.8 Ų113.875%0.75374%0.739SS**  trans45.198.4135.200000118.9
162V42.6Very low51.4Low140 Ų140112.1 Ų112.185%0.84874%0.737SS**  -141.4117.2122.1177.90000107.7
163S38.6Very low51.8Low112 Ų112120.7 Ų120.778%0.78376%0.761SS**  trans-69.4122.8165.4-29.60000108.7
164S40.9Very low52.9Low104 Ų104117.5 Ų117.573%0.72776%0.755SS**  trans164.7117.7134.657.30000110.8
165D39.6Very low54.4Low178 Ų178122.1 Ų122.195%0.95276%0.76SS**  trans5494.3141.1-121.26000118.1
166G39.1Very low56.1Low70 Ų70125 Ų12572%0.72276%0.759SS**  trans155.482.9173.200000110.9Q168G166-Q168 VanDerWaalsContact C-N 3.3Å; G166-Q168 PolarHBondContact O-N 2.89Å
167S37.4Very low57.8Low127 Ų127129.8 Ų129.889%0.88878%0.778SS**  trans-59.984.7176170.80000111.7
168Q46.6Very low59.5Low173 Ų173126.5 Ų126.581%0.80877%0.766SS**  trans-137.2110153.1-67.2-167.321.300107.4G166 G170G166-Q168 VanDerWaalsContact C-N 3.3Å; G166-Q168 PolarHBondContact O-N 2.89Å; Q168-G170 PolarHBondContact O-N 2.82Å
169T48.2Very low61.3Low108 Ų108122.7 Ų122.766%0.66375%0.754SS**  trans-42.4124.5171.947.50000110.3D171 S172T169-D171 PolarHBondContact O-N 2.84Å; T169-S172 PolarHBondContact O-N 2.78Å
170G57.1Low63.1Low84 Ų84130.4 Ų130.487%0.86677%0.767SS**THydrogen-bonded Turntrans-62.816.4-178.600000116.2Q168Q168-G170 PolarHBondContact O-N 2.82Å
171D64.3Low65Low150 Ų150130.9 Ų130.980%0.80276%0.756SS**THydrogen-bonded Turntrans-105.91.3-178.5-61.8-35.7000113T169T169-D171 PolarHBondContact O-N 2.84Å
172S81.5Confident67Low83 Ų83131 Ų13158%0.5875%0.75SS**SBendtrans-93.5144.3179.5-158.50000111.9T169 C174T169-S172 PolarHBondContact O-N 2.78Å; S172-C174 PolarHBondContact O-N 2.79Å
173Y87.8Confident69Low242 Ų242129.8 Ų129.895%0.94973%0.734SS**  trans-57.9123.2171.1-75.9-91.8000109.6
174C88.8Confident70.9Confident90 Ų90131 Ų13161%0.60873%0.727SS**  trans-121.5171.8174.965.30000110.8S172S172-C174 PolarHBondContact O-N 2.79Å
175Q92.4Very high72.8Confident195 Ų195135.2 Ų135.291%0.91173%0.732SS**  trans-109.53.9174-65.2-177-3.500112.2
176D90.1Very high74.6Confident130 Ų130129.6 Ų129.670%0.69571%0.71SS**PPolyproline II helixtrans-73.9128.5-179-60.4-47.9000110P178D176-P178 WeakPolarHBondContact O-CD 3.48Å
177I88.7Confident76.4Confident162 Ų162134.9 Ų134.983%0.83172%0.716SS**PPolyproline II helixtrans-74.1123.4176.3-60.2173.2000107.6
178P86.4Confident78.7Confident89 Ų89137.4 Ų137.458%0.57871%0.714SS**PPolyproline II helixtrans-65.7145.1-178.7-15.928.1000111.8D176 F183D176-P178 WeakPolarHBondContact O-CD 3.48Å; P178-F183 HydrophobicContact CB-CE2 3.81Å; P178-F183 HydrophobicContact CB-CZ 3.9Å; P178-F183 HydrophobicContact CG-CZ 4.38Å
179D87.4Confident80.7Confident102 Ų102134.7 Ų134.755%0.54571%0.711SS.*PPolyproline II helixtrans-63.3136.3-179.9-173.94.1000111.4H181 A182 F183D179-H181 PolarHBondContact O-N 3.06Å; D179-H181 IonicContact OD1-CD2 3.53Å; D179-H181 PolarHBondContact OD1-N 2.96Å; D179-H181 IonicContact OD2-CD2 2.72Å; D179-A182 VanDerWaalsContact O-CB 3.26Å; D179-A182 WeakPolarHBondContact O-CB 3.3Å; D179-A182 PolarHBondContact O-N 2.81Å; D179-A182 VanDerWaalsContact O-N 3.09Å; D179-F183 WeakPolarHBondContact O-CD2 3.42Å
180R84.3Confident82.9Confident214 Ų214135.7 Ų135.781%0.80872%0.719SS**G310 helixtrans-59.9-34.4178.9-176.4174.7177.1151.50.2111.9A182 F183R180-A182 PolarHBondContact O-N 3.25Å; R180-F183 PolarHBondContact O-N 3.26Å
181H85.1Confident84.8Confident122 Ų122138 Ų13857%0.56572%0.717SS**G310 helixtrans-60.8-27.8178.5-70-66.9000112.6D179 F183 E184D179-H181 PolarHBondContact O-N 3.06Å; D179-H181 IonicContact OD1-CD2 3.53Å; D179-H181 PolarHBondContact OD1-N 2.96Å; D179-H181 IonicContact OD2-CD2 2.72Å; H181-F183 PolarHBondContact O-N 2.85Å; H181-E184 IonicContact CE1-OE1 3.55Å; H181-E184 PolarHBondContact CE1-OE1 3.48Å; H181-E184 IonicContact CG-OE1 3.77Å; H181-E184 IonicContact ND1-OE1 2.69Å; H181-E184 PolarHBondContact ND1-OE1 3.38Å; H181-E184 IonicContact ND1-OE2 3.38Å; H181-E184 PolarHBondContact O-N 3Å
182A80.6Confident86.3Confident75 Ų75135.7 Ų135.762%0.6270%0.704SS**G310 helixtrans-63.7-22.7176.200000113.1D179 R180D179-A182 VanDerWaalsContact O-CB 3.26Å; D179-A182 WeakPolarHBondContact O-CB 3.3Å; D179-A182 PolarHBondContact O-N 2.81Å; D179-A182 VanDerWaalsContact O-N 3.09Å; R180-A182 PolarHBondContact O-N 3.25Å
183F83.5Confident87Confident116 Ų116135 Ų13551%0.50970%0.697SS.*G310 helixtrans-104.55.1-178.6-53.3-80.5000113.7P178 D179 R180 H181 K185 A186P178-F183 HydrophobicContact CB-CE2 3.81Å; P178-F183 HydrophobicContact CB-CZ 3.9Å; P178-F183 HydrophobicContact CG-CZ 4.38Å; D179-F183 WeakPolarHBondContact O-CD2 3.42Å; R180-F183 PolarHBondContact O-N 3.26Å; H181-F183 PolarHBondContact O-N 2.85Å; F183-K185 PolarHBondContact O-N 3.06Å; F183-A186 HydrophobicContact CB-CB 4.05Å; F183-A186 HydrophobicContact CD1-CB 4.4Å; F183-A186 VanDerWaalsContact O-CB 3.25Å; F183-A186 WeakPolarHBondContact O-CB 3.45Å; F183-A186 PolarHBondContact O-N 3.19Å
184E80.1Confident87.5Confident137 Ų137127.8 Ų127.864%0.6468%0.68SS**THydrogen-bonded Turntrans-62.8-29.4178.7-76.5179.9173.900112.8H181H181-E184 IonicContact CE1-OE1 3.55Å; H181-E184 PolarHBondContact CE1-OE1 3.48Å; H181-E184 IonicContact CG-OE1 3.77Å; H181-E184 IonicContact ND1-OE1 2.69Å; H181-E184 PolarHBondContact ND1-OE1 3.38Å; H181-E184 IonicContact ND1-OE2 3.38Å; H181-E184 PolarHBondContact O-N 3Å
185K80.8Confident87.9Confident192 Ų192127.6 Ų127.684%0.83567%0.67SS**THydrogen-bonded Turntrans-86.3-11172.5-67.3-179.4-178174.10113.2F183 H187F183-K185 PolarHBondContact O-N 3.06Å; K185-H187 PolarHBondContact O-N 3.1Å
186A77.5Confident88.1Confident60 Ų60119.9 Ų119.950%0.49664%0.635SS.*PPolyproline II helixtrans-69.8133.8-17900000109.6F183F183-A186 HydrophobicContact CB-CB 4.05Å; F183-A186 HydrophobicContact CD1-CB 4.4Å; F183-A186 VanDerWaalsContact O-CB 3.25Å; F183-A186 WeakPolarHBondContact O-CB 3.45Å; F183-A186 PolarHBondContact O-N 3.19Å
187H75.8Confident88.4Confident182 Ų182119.3 Ų119.384%0.84363%0.631SS**PPolyproline II helixtrans-64.5167.2174.1-62.4-69.5000111.1K185K185-H187 PolarHBondContact O-N 3.1Å
188Q84.9Confident88.6Confident180 Ų180116.5 Ų116.584%0.84161%0.614SS**SBendtrans-52151.3172.9-64.1179.69.400111.1
189P90.1Very high89Confident116 Ų116113.7 Ų113.775%0.75360%0.596SS**PPolyproline II helixtrans-51.3142.8176.1-26.134.2000111.6
190P94.1Very high89.3Confident128 Ų128109.1 Ų109.183%0.83157%0.571SS**PPolyproline II helixtrans-55.1142.3177.7-25.333.9000112.1
191V96.1Very high89.8Confident134 Ų134102.2 Ų102.281%0.81255%0.55SS*.PPolyproline II helixtrans-64137.6175.4-179.30000109.6P193V191-P193 VanDerWaalsContact O-CD 3.29Å; V191-P193 WeakPolarHBondContact O-CD 3.03Å
192L96.5Very high90.3Very high101 Ų101102.3 Ų102.353%0.52956%0.555SS.*PPolyproline II helixtrans-57.4120.5178.5178.966.9000110.7L196 L197L192-L196 HydrophobicContact CD1-CB 4.26Å; L192-L196 HydrophobicContact CD1-CD1 3.91Å; L192-L197 HydrophobicContact CD2-CD2 3.69Å; L192-L197 HydrophobicContact CD2-CG 4.15Å
193P97.3Very high90.8Very high69 Ų69103.4 Ų103.445%0.44855%0.545SS..PPolyproline II helixtrans-60.5126.3175.4-25.335.3000110.7V191 H195 L196V191-P193 VanDerWaalsContact O-CD 3.29Å; V191-P193 WeakPolarHBondContact O-CD 3.03Å; P193-H195 PolarHBondContact O-N 3.11Å; P193-L196 PolarHBondContact O-N 2.99Å
194P97.5Very high91.1Very high89 Ų89105.8 Ų105.858%0.57856%0.563SS**G310 helixtrans-62.5-20.9-173.423.6-34.3000113.3L196 L197P194-L196 PolarHBondContact O-N 2.97Å; P194-L197 WeakPolarHBondContact O-CB 3.38Å; P194-L197 PolarHBondContact O-N 3.28Å; P194-L197 VanDerWaalsContact O-N 3.12Å
195H96.7Very high91.5Very high86 Ų86101.9 Ų101.940%0.39855%0.549SS..G310 helixtrans-58.9-32174.3-61.494.5000113.4P193 L197 Q198 V220P193-H195 PolarHBondContact O-N 3.11Å; H195-L197 PolarHBondContact O-N 3.28Å; H195-Q198 PolarHBondContact O-N 2.81Å; H195-V220 HydrophobicContact CB-CG2 3.57Å
196L96.7Very high91.9Very high33 Ų3396.7 Ų96.717%0.17354%0.535CS..G310 helixtrans-73.5-11.2179.4-60.3-176.2000113L192 P193 P194 M221 H224 Y226L192-L196 HydrophobicContact CD1-CB 4.26Å; L192-L196 HydrophobicContact CD1-CD1 3.91Å; P193-L196 PolarHBondContact O-N 2.99Å; P194-L196 PolarHBondContact O-N 2.97Å; L196-M221 HydrophobicContact CD2-CB 4.39Å; L196-H224 HydrophobicContact CD2-CB 4.46Å; L196-Y226 WeakPolarHBondContact O-CE1 3.35Å; L196-Y226 PolarHBondContact O-OH 2.72Å
197L96.3Very high92.4Very high119 Ų119102.4 Ų102.462%0.62356%0.555SS**G310 helixtrans-84-12.5174.5-59.7174.2000112.4L192 P194 H195 V199L192-L197 HydrophobicContact CD2-CD2 3.69Å; L192-L197 HydrophobicContact CD2-CG 4.15Å; P194-L197 WeakPolarHBondContact O-CB 3.38Å; P194-L197 PolarHBondContact O-N 3.28Å; P194-L197 VanDerWaalsContact O-N 3.12Å; H195-L197 PolarHBondContact O-N 3.28Å; L197-V199 VanDerWaalsContact C-N 3.3Å; L197-V199 PolarHBondContact O-N 2.78Å
198Q93.6Very high93.2Very high102 Ų10299.2 Ų99.248%0.47755%0.553SS.*  trans-85.266-178.4-61.2-175.36.500111.9H195 I200 M221H195-Q198 PolarHBondContact O-N 2.81Å; Q198-I200 PolarHBondContact O-N 2.85Å; Q198-M221 WeakPolarHBondContact O-CE 3.41Å
199V93.9Very high93.4Very high31 Ų3193.7 Ų93.719%0.18853%0.534CS..  trans-59.7119.7-176.3-170.90000111.4L197 L201 N202 Y226L197-V199 VanDerWaalsContact C-N 3.3Å; L197-V199 PolarHBondContact O-N 2.78Å; V199-L201 VanDerWaalsContact C-N 3.29Å; V199-L201 HydrophobicContact CG1-CB 4.43Å; V199-L201 PolarHBondContact O-N 2.99Å; V199-N202 HydrophobicContact CB-CB 4.09Å; V199-N202 HydrophobicContact CG1-CB 4.48Å; V199-N202 PolarHBondContact O-N 2.81Å; V199-N202 VanDerWaalsContact O-N 3.1Å; V199-Y226 HydrophobicContact CB-CD1 4.37Å; V199-Y226 HydrophobicContact CB-CE1 4.33Å; V199-Y226 HydrophobicContact CG1-CD1 3.91Å; V199-Y226 HydrophobicContact CG1-CE1 4.28Å; V199-Y226 HydrophobicContact CG1-CG 4.33Å; V199-Y226 HydrophobicContact CG2-CD1 3.82Å; V199-Y226 HydrophobicContact CG2-CE1 3.75Å
200I94.6Very high93.6Very high6 Ų692.4 Ų92.43%0.03152%0.521CS..G310 helixtrans-62.2-35.3-176.4-170.8166.3000113Q198 N202 K203 L214 P215 P217 M221 T249Q198-I200 PolarHBondContact O-N 2.85Å; I200-N202 PolarHBondContact O-N 2.85Å; I200-K203 PolarHBondContact O-N 2.92Å; I200-L214 HydrophobicContact CD1-CB 3.97Å; I200-L214 HydrophobicContact CD1-CD1 4.33Å; I200-L214 HydrophobicContact CG1-CB 4.25Å; I200-L214 HydrophobicContact CG1-CD1 4.43Å; I200-P215 HydrophobicContact CD1-CG 4.47Å; I200-P215 VanDerWaalsContact CD1-O 3.28Å; I200-P215 WeakPolarHBondContact CD1-O 2.83Å; I200-P215 HydrophobicContact CG1-CG 4.07Å; I200-P217 HydrophobicContact CD1-CB 4.03Å; I200-M221 HydrophobicContact CB-CE 4.24Å; I200-M221 HydrophobicContact CB-SD 4.37Å; I200-T249 HydrophobicContact CG2-CG2 4.33Å
201L94.8Very high93.5Very high68 Ų6891.4 Ų91.436%0.35651%0.514SS..G310 helixtrans-75.7-11.4179.5-63.1179.5000113.5V199 L214 S238 T249 L251V199-L201 VanDerWaalsContact C-N 3.29Å; V199-L201 HydrophobicContact CG1-CB 4.43Å; V199-L201 PolarHBondContact O-N 2.99Å; L201-L214 HydrophobicContact CD2-CD1 3.93Å; L201-L214 HydrophobicContact CD2-CD2 4.2Å; L201-S238 WeakPolarHBondContact CD1-OG 3.35Å; L201-T249 HydrophobicContact CD1-CG2 4.09Å; L201-T249 HydrophobicContact CD2-CG2 3.84Å; L201-T249 HydrophobicContact CG-CG2 4.04Å; L201-L251 HydrophobicContact CD1-CD1 3.93Å; L201-L251 HydrophobicContact CD1-CD2 4.24Å; L201-L251 HydrophobicContact CD1-CG 4.16Å; L201-L251 HydrophobicContact CD2-CD1 4.37Å
202N94.5Very high93.3Very high125 Ų12591.5 Ų91.567%0.66851%0.51SS*.G310 helixtrans-93.50.8174.8-66.3-4.8000112.2V199 I200V199-N202 HydrophobicContact CB-CB 4.09Å; V199-N202 HydrophobicContact CG1-CB 4.48Å; V199-N202 PolarHBondContact O-N 2.81Å; V199-N202 VanDerWaalsContact O-N 3.1Å; I200-N202 PolarHBondContact O-N 2.85Å
203K91.9Very high93.2Very high98 Ų9890.6 Ų90.643%0.42651%0.509SS..SBendtrans-89.2134177.5-63.9-173.2178.2-176.30109.7I200 P215I200-K203 PolarHBondContact O-N 2.92Å; K203-P215 HydrophobicContact CB-CG 4.47Å; K203-P215 HydrophobicContact CD-CG 3.99Å
204D89.8Confident93.1Very high166 Ų16690.2 Ų90.289%0.88850%0.502SS*.PPolyproline II helixtrans-69134.2174.3-62.8-46.1000111
205T88.2Confident93Very high55 Ų5588.4 Ų88.434%0.33749%0.491SS..PPolyproline II helixtrans-97135.7170.550.10000109.7I207 V213T205-I207 PolarHBondContact O-N 2.9Å; T205-V213 VanDerWaalsContact CG2-O 3.32Å; T205-V213 WeakPolarHBondContact CG2-O 3.22Å
206P88.5Confident92.9Very high83 Ų8391.3 Ų91.354%0.53950%0.504SS..PPolyproline II helixtrans-55.1138.9176.8-24.633.4000112.2S208 C209P206-S208 PolarHBondContact O-N 3.38Å; P206-C209 PolarHBondContact O-N 2.81Å
207I89.6Confident92.9Very high179 Ų17990.3 Ų90.392%0.91850%0.5SS*.THydrogen-bonded Turntrans-60.7-21.4-177.6-57.9165.8000112.1T205 C209T205-I207 PolarHBondContact O-N 2.9Å; I207-C209 VanDerWaalsContact C-N 3.32Å
208S92.4Very high92.9Very high115 Ų11587.7 Ų87.780%0.80449%0.487SS*.THydrogen-bonded Turntrans-78.9-9177.353.80000114.6P206P206-S208 PolarHBondContact O-N 3.38Å
209C89.1Confident93.1Very high65 Ų6588.9 Ų88.944%0.43949%0.492SS..SBendtrans-100.5159.1-177.2-63.50000112.2P206 I207P206-C209 PolarHBondContact O-N 2.81Å; I207-C209 VanDerWaalsContact C-N 3.32Å
210D93Very high93.3Very high89 Ų8990 Ų9048%0.47650%0.499SS..  trans-60.2129.2171.8179.6-26.5000110N212 V213D210-N212 PolarHBondContact O-N 3.03Å; D210-N212 VanDerWaalsContact O-N 3.1Å; D210-N212 WeakPolarHBondContact OD1-CB 3.42Å; D210-N212 PolarHBondContact OD1-N 2.96Å; D210-N212 PolarHBondContact OD1-ND2 2.83Å; D210-V213 HydrophobicContact CB-CG2 3.84Å; D210-V213 WeakPolarHBondContact O-CB 3.15Å; D210-V213 PolarHBondContact O-N 3.32Å
211P92.6Very high93.4Very high106 Ų10690 Ų9069%0.68850%0.499SS*.THydrogen-bonded Turntrans-62.5-16.2-177.626.4-36.8000114.4V213P211-V213 VanDerWaalsContact C-N 3.33Å
212N93Very high93.5Very high136 Ų13687.5 Ų87.573%0.72749%0.486SS*.THydrogen-bonded Turntrans-86.1-6.3175.7-56.4-69.7000113D210D210-N212 PolarHBondContact O-N 3.03Å; D210-N212 VanDerWaalsContact O-N 3.1Å; D210-N212 WeakPolarHBondContact OD1-CB 3.42Å; D210-N212 PolarHBondContact OD1-N 2.96Å; D210-N212 PolarHBondContact OD1-ND2 2.83Å
213V94.2Very high93.7Very high83 Ų8387.4 Ų87.450%0.50349%0.485SS..PPolyproline II helixtrans-90.1119.6-179.7176.30000109.7T205 D210 P211T205-V213 VanDerWaalsContact CG2-O 3.32Å; T205-V213 WeakPolarHBondContact CG2-O 3.22Å; D210-V213 HydrophobicContact CB-CG2 3.84Å; D210-V213 WeakPolarHBondContact O-CB 3.15Å; D210-V213 PolarHBondContact O-N 3.32Å; P211-V213 VanDerWaalsContact C-N 3.33Å
214L94.9Very high94Very high60 Ų6086.4 Ų86.431%0.31448%0.482SS..PPolyproline II helixtrans-102.1155.1174.7-65.3174.7000110.8I200 L201 T249I200-L214 HydrophobicContact CD1-CB 3.97Å; I200-L214 HydrophobicContact CD1-CD1 4.33Å; I200-L214 HydrophobicContact CG1-CB 4.25Å; I200-L214 HydrophobicContact CG1-CD1 4.43Å; L201-L214 HydrophobicContact CD2-CD1 3.93Å; L201-L214 HydrophobicContact CD2-CD2 4.2Å; L214-T249 HydrophobicContact CD1-CG2 4.23Å; L214-T249 WeakPolarHBondContact CD1-OG1 3.37Å
215P94.1Very high94.4Very high51 Ų5184.3 Ų84.333%0.33147%0.47SS..PPolyproline II helixtrans-61.7159.5171.727-34.7000111.4I200 K203 P217I200-P215 HydrophobicContact CD1-CG 4.47Å; I200-P215 VanDerWaalsContact CD1-O 3.28Å; I200-P215 WeakPolarHBondContact CD1-O 2.83Å; I200-P215 HydrophobicContact CG1-CG 4.07Å; K203-P215 HydrophobicContact CB-CG 4.47Å; K203-P215 HydrophobicContact CD-CG 3.99Å; P215-P217 WeakPolarHBondContact O-CD 3.38Å
216E95.1Very high94.8Very high147 Ų14783.3 Ų83.369%0.68746%0.46SS*.PPolyproline II helixtrans-63.4124.8176-175.8167.3-170.400110.8Y247E216-Y247 HydrophobicContact CG-CD2 4.31Å; E216-Y247 HydrophobicContact CG-CE2 3.72Å; E216-Y247 WeakPolarHBondContact OE1-CE2 3.25Å; E216-Y247 PolarHBondContact OE1-OH 2.78Å
217P96.4Very high95.2Very high13 Ų1382.6 Ų82.68%0.08446%0.461CS..PPolyproline II helixtrans-74.715317830.7-36000111.7I200 P215 M221 L222 T240 Y247I200-P217 HydrophobicContact CD1-CB 4.03Å; P215-P217 WeakPolarHBondContact O-CD 3.38Å; P217-M221 HydrophobicContact CB-CG 4.17Å; P217-M221 HydrophobicContact CB-SD 3.73Å; P217-L222 HydrophobicContact CB-CD2 4.17Å; P217-L222 HydrophobicContact CG-CD2 3.89Å; P217-T240 HydrophobicContact CB-CG2 4.24Å; P217-T240 HydrophobicContact CG-CG2 3.97Å; P217-Y247 HydrophobicContact CG-CD1 3.51Å; P217-Y247 HydrophobicContact CG-CD2 4.1Å; P217-Y247 HydrophobicContact CG-CE1 4Å; P217-Y247 HydrophobicContact CG-CG 3.54Å
218N96.8Very high95.6Very high64 Ų6479.3 Ų79.334%0.34245%0.445SS..PPolyproline II helixtrans-71.1137.5165.5-167.9-26.6000109.6V220 M221N218-V220 HydrophobicContact CB-CG2 4.26Å; N218-V220 PolarHBondContact O-N 3.05Å; N218-V220 VanDerWaalsContact O-N 3.1Å; N218-V220 PolarHBondContact OD1-N 3.17Å; N218-M221 WeakPolarHBondContact O-CG 3.3Å; N218-M221 PolarHBondContact O-N 3.13Å; N218-M221 VanDerWaalsContact O-N 3.1Å
219H97.5Very high95.8Very high126 Ų12679.3 Ų79.358%0.58345%0.445SS*.G310 helixtrans-57.1-28.8-177.972.4-79.2000113.6M221 L222H219-M221 VanDerWaalsContact C-N 3.29Å; H219-M221 PolarHBondContact O-N 3.17Å; H219-L222 HydrophobicContact CB-CD1 4.44Å; H219-L222 WeakPolarHBondContact O-CB 3.45Å; H219-L222 WeakPolarHBondContact O-CG 3.24Å; H219-L222 PolarHBondContact O-N 3.15Å
220V97.7Very high96.1Very high54 Ų5481.2 Ų81.233%0.32745%0.45SS..G310 helixtrans-71.8-17.7-179.4-55.60000114.3H195 N218 H224H195-V220 HydrophobicContact CB-CG2 3.57Å; N218-V220 HydrophobicContact CB-CG2 4.26Å; N218-V220 PolarHBondContact O-N 3.05Å; N218-V220 VanDerWaalsContact O-N 3.1Å; N218-V220 PolarHBondContact OD1-N 3.17Å; V220-H224 PolarHBondContact O-CD2 2.82Å; V220-H224 VanDerWaalsContact O-CD2 3.26Å; V220-H224 PolarHBondContact O-NE2 2.84Å
221M96.5Very high96.2Very high7 Ų784.1 Ų84.13%0.03446%0.458CS..G310 helixtrans-93.9-6.3177.166.6132.651.700113.3L196 Q198 I200 P217 N218 H219 H224L196-M221 HydrophobicContact CD2-CB 4.39Å; Q198-M221 WeakPolarHBondContact O-CE 3.41Å; I200-M221 HydrophobicContact CB-CE 4.24Å; I200-M221 HydrophobicContact CB-SD 4.37Å; P217-M221 HydrophobicContact CB-CG 4.17Å; P217-M221 HydrophobicContact CB-SD 3.73Å; N218-M221 WeakPolarHBondContact O-CG 3.3Å; N218-M221 PolarHBondContact O-N 3.13Å; N218-M221 VanDerWaalsContact O-N 3.1Å; H219-M221 VanDerWaalsContact C-N 3.29Å; H219-M221 PolarHBondContact O-N 3.17Å; M221-H224 WeakPolarHBondContact O-CB 3.22Å; M221-H224 PolarHBondContact O-N 2.7Å
222L97.6Very high96.4Very high16 Ų1685.8 Ų85.88%0.08446%0.461CS..THydrogen-bonded Turntrans-66.3146.6179.2-59.6177.5000110.2P217 H219 H224 T240 R242 Y247P217-L222 HydrophobicContact CB-CD2 4.17Å; P217-L222 HydrophobicContact CG-CD2 3.89Å; H219-L222 HydrophobicContact CB-CD1 4.44Å; H219-L222 WeakPolarHBondContact O-CB 3.45Å; H219-L222 WeakPolarHBondContact O-CG 3.24Å; H219-L222 PolarHBondContact O-N 3.15Å; L222-H224 PolarHBondContact O-CD2 2.95Å; L222-H224 VanDerWaalsContact O-CD2 3.31Å; L222-H224 PolarHBondContact O-N 3.37Å; L222-H224 VanDerWaalsContact O-N 3.14Å; L222-T240 WeakPolarHBondContact CA-O 3.48Å; L222-T240 HydrophobicContact CD2-CG2 3.62Å; L222-R242 HydrophobicContact CD1-CB 4.15Å; L222-Y247 HydrophobicContact CD1-CD1 4.29Å; L222-Y247 HydrophobicContact CD1-CE1 4.05Å; L222-Y247 HydrophobicContact CD2-CD1 4.01Å; L222-Y247 HydrophobicContact CD2-CE1 4.46Å
223N98Very high96.5Very high122 Ų12281.3 Ų81.365%0.65245%0.447SS*.THydrogen-bonded Turntrans64.16.3-177.7-43.4-38.6000114.9T240 H241N223-T240 PolarHBondContact N-O 3.34Å; N223-H241 PolarHBondContact OD1-CD2 3.17Å
224H98.2Very high96.7Very high78 Ų7879.7 Ų79.736%0.36144%0.437SS..  trans-84.7138.9169.3-70.8-93.9000110.9L196 V220 M221 L222 Y226L196-H224 HydrophobicContact CD2-CB 4.46Å; V220-H224 PolarHBondContact O-CD2 2.82Å; V220-H224 VanDerWaalsContact O-CD2 3.26Å; V220-H224 PolarHBondContact O-NE2 2.84Å; M221-H224 WeakPolarHBondContact O-CB 3.22Å; M221-H224 PolarHBondContact O-N 2.7Å; L222-H224 PolarHBondContact O-CD2 2.95Å; L222-H224 VanDerWaalsContact O-CD2 3.31Å; L222-H224 PolarHBondContact O-N 3.37Å; L222-H224 VanDerWaalsContact O-N 3.14Å; H224-Y226 HydrophobicContact CB-CE2 4.23Å
225L98Very high96.8Very high121 Ų12179.7 Ų79.763%0.63444%0.436SS*.EExtended strand (participates in β ladder)trans-84.1125.5177.9-173.171.6000110.4L237L225-L237 HydrophobicContact CD1-CB 4.1Å; L225-L237 HydrophobicContact CD1-CD1 4.42Å; L225-L237 HydrophobicContact CD1-CD2 4.24Å; L225-L237 HydrophobicContact CD1-CG 4.48Å; L225-L237 HydrophobicContact CD2-CD2 4.22Å; L225-L237 HydrophobicContact CG-CD2 4.41Å
226Y97.8Very high96.9Very high35 Ų3578 Ų7814%0.13743%0.426CS..EExtended strand (participates in β ladder)trans-108.7146.1166.5-62.8-87000108.9L196 V199 H224 S238L196-Y226 WeakPolarHBondContact O-CE1 3.35Å; L196-Y226 PolarHBondContact O-OH 2.72Å; V199-Y226 HydrophobicContact CB-CD1 4.37Å; V199-Y226 HydrophobicContact CB-CE1 4.33Å; V199-Y226 HydrophobicContact CG1-CD1 3.91Å; V199-Y226 HydrophobicContact CG1-CE1 4.28Å; V199-Y226 HydrophobicContact CG1-CG 4.33Å; V199-Y226 HydrophobicContact CG2-CD1 3.82Å; V199-Y226 HydrophobicContact CG2-CE1 3.75Å; H224-Y226 HydrophobicContact CB-CE2 4.23Å; Y226-S238 PolarHBondContact N-O 3.23Å; Y226-S238 PolarHBondContact O-N 3.33Å
227A97.6Very high97.1Very high68 Ų6873.2 Ų73.256%0.56240%0.404SS*.EExtended strand (participates in β ladder)trans-138.8145.7179.600000110.3V236 L237A227-V236 WeakPolarHBondContact CA-O 3.34Å; A227-L237 HydrophobicContact CB-CD2 3.71Å
228L96.9Very high97.2Very high109 Ų10973.1 Ų73.157%0.57140%0.404SS*.PPolyproline II helixtrans-83.2156.5162.4-64.6176.2000109.5I230 V236L228-I230 PolarHBondContact O-N 2.87Å; L228-V236 HydrophobicContact CB-CB 4.2Å; L228-V236 HydrophobicContact CD1-CB 4.08Å; L228-V236 HydrophobicContact CD1-CG1 4.15Å; L228-V236 HydrophobicContact CD1-CG2 4.39Å; L228-V236 HydrophobicContact CG-CB 4.36Å; L228-V236 PolarHBondContact N-O 2.87Å
229S96.6Very high97.2Very high115 Ų11570.8 Ų70.880%0.80439%0.393SS*.PPolyproline II helixtrans-59.2132.1168.2-63.30000109.5K231S229-K231 PolarHBondContact O-N 3.03Å
230I96Very high97.3Very high106 Ų10664.8 Ų64.854%0.54437%0.366SS..PPolyproline II helixtrans-57.2131.1-179.6-64162.4000109.1L228 M235 I256L228-I230 PolarHBondContact O-N 2.87Å; I230-M235 HydrophobicContact CD1-CE 4.27Å; I230-M235 HydrophobicContact CG1-CG 4.44Å; I230-I256 HydrophobicContact CB-CD1 4.37Å; I230-I256 HydrophobicContact CD1-CD1 3.61Å; I230-I256 HydrophobicContact CG1-CD1 3.81Å; I230-I256 HydrophobicContact CG2-CD1 3.62Å
231K95.5Very high97.3Very high150 Ų15066.5 Ų66.565%0.65237%0.37SS*.BIsolated β-bridgetrans-144.2139.5-179-166.2-176171.6-175.80110S229 G233 V234S229-K231 PolarHBondContact O-N 3.03Å; K231-G233 PolarHBondContact O-N 2.87Å; K231-V234 PolarHBondContact N-O 3.08Å; K231-V234 PolarHBondContact O-N 2.88Å
232D95.6Very high97.4Very high141 Ų14171.7 Ų71.775%0.75439%0.389SS*.THydrogen-bonded Turntrans5436.9175.4-53.5-37.8000114V234D232-V234 VanDerWaalsContact C-N 3.26Å; D232-V234 PolarHBondContact O-N 2.97Å
233G95.7Very high97.4Very high42 Ų4278.2 Ų78.243%0.43341%0.414SS..THydrogen-bonded Turntrans7313.3-179.600000114.5K231 P255 I256K231-G233 PolarHBondContact O-N 2.87Å; G233-P255 CarbonylContact O-C 3.59Å; G233-P255 WeakPolarHBondContact O-CA 3.41Å; G233-I256 PolarHBondContact O-N 3.02Å
234V97.2Very high97.3Very high48 Ų4882 Ų8229%0.29142%0.419SS..EExtended strand (participates in β ladder)trans-120129-178.8-177.20000110.8K231 D232 V236 Y253K231-V234 PolarHBondContact N-O 3.08Å; K231-V234 PolarHBondContact O-N 2.88Å; D232-V234 VanDerWaalsContact C-N 3.26Å; D232-V234 PolarHBondContact O-N 2.97Å; V234-V236 HydrophobicContact CG1-CG2 4.34Å; V234-Y253 HydrophobicContact CG1-CD1 4.12Å
235M97.5Very high97.3Very high60 Ų6087.4 Ų87.430%0.29644%0.441SS..EExtended strand (participates in β ladder)trans-89.1133.7165.3-168.6-177.9-68.700109.4I230 L237 K254 I256I230-M235 HydrophobicContact CD1-CE 4.27Å; I230-M235 HydrophobicContact CG1-CG 4.44Å; M235-L237 HydrophobicContact CG-CD2 3.96Å; M235-L237 HydrophobicContact CG-CG 3.97Å; M235-L237 HydrophobicContact SD-CD1 3.8Å; M235-L237 HydrophobicContact SD-CD2 3.75Å; M235-L237 HydrophobicContact SD-CG 3.77Å; M235-K254 PolarHBondContact N-O 3.2Å; M235-K254 PolarHBondContact O-N 2.83Å; M235-I256 HydrophobicContact CB-CD1 3.63Å; M235-I256 HydrophobicContact CB-CG1 3.9Å; M235-I256 HydrophobicContact CE-CD1 3.81Å; M235-I256 HydrophobicContact CE-CG1 4.21Å; M235-I256 HydrophobicContact CG-CD1 4.47Å
236V97.7Very high97.3Very high17 Ų1788.9 Ų88.910%0.10344%0.442CS..EExtended strand (participates in β ladder)trans-116.5114.4171.9-169.90000108.9A227 L228 V234 L252 Y253A227-V236 WeakPolarHBondContact CA-O 3.34Å; L228-V236 HydrophobicContact CB-CB 4.2Å; L228-V236 HydrophobicContact CD1-CB 4.08Å; L228-V236 HydrophobicContact CD1-CG1 4.15Å; L228-V236 HydrophobicContact CD1-CG2 4.39Å; L228-V236 HydrophobicContact CG-CB 4.36Å; L228-V236 PolarHBondContact N-O 2.87Å; V234-V236 HydrophobicContact CG1-CG2 4.34Å; V236-L252 WeakPolarHBondContact CA-O 3.44Å; V236-Y253 HydrophobicContact CB-CD1 4.46Å; V236-Y253 HydrophobicContact CB-CE1 4.34Å; V236-Y253 HydrophobicContact CG1-CD1 4.27Å; V236-Y253 HydrophobicContact CG1-CD2 4.33Å; V236-Y253 HydrophobicContact CG1-CE1 3.93Å; V236-Y253 HydrophobicContact CG1-CE2 4Å; V236-Y253 HydrophobicContact CG1-CG 4.45Å; V236-Y253 HydrophobicContact CG2-CD1 3.48Å; V236-Y253 VanDerWaalsContact CG2-CD1 3.48Å; V236-Y253 HydrophobicContact CG2-CE1 3.43Å; V236-Y253 VanDerWaalsContact CG2-CE1 3.43Å; V236-Y253 HydrophobicContact CG2-CG 4.25Å
237L97.9Very high97.3Very high46 Ų4690.3 Ų90.324%0.24145%0.448CS..EExtended strand (participates in β ladder)trans-110146.3177.4-63.6-178.1000109.9L225 A227 M235 L251 L252L225-L237 HydrophobicContact CD1-CB 4.1Å; L225-L237 HydrophobicContact CD1-CD1 4.42Å; L225-L237 HydrophobicContact CD1-CD2 4.24Å; L225-L237 HydrophobicContact CD1-CG 4.48Å; L225-L237 HydrophobicContact CD2-CD2 4.22Å; L225-L237 HydrophobicContact CG-CD2 4.41Å; A227-L237 HydrophobicContact CB-CD2 3.71Å; M235-L237 HydrophobicContact CG-CD2 3.96Å; M235-L237 HydrophobicContact CG-CG 3.97Å; M235-L237 HydrophobicContact SD-CD1 3.8Å; M235-L237 HydrophobicContact SD-CD2 3.75Å; M235-L237 HydrophobicContact SD-CG 3.77Å; L237-L251 CarbonylContact O-C 3.55Å; L237-L251 WeakPolarHBondContact O-CA 3.46Å; L237-L252 PolarHBondContact N-O 3.03Å; L237-L252 PolarHBondContact O-N 2.91Å
238S98Very high97.3Very high11 Ų1190.9 Ų90.98%0.07744%0.444CS..EExtended strand (participates in β ladder)trans-142.4146.5173.8-170.10000112.2L201 Y226 T249 T250L201-S238 WeakPolarHBondContact CD1-OG 3.35Å; Y226-S238 PolarHBondContact N-O 3.23Å; Y226-S238 PolarHBondContact O-N 3.33Å; S238-T249 VanDerWaalsContact OG-CG2 3.3Å; S238-T249 WeakPolarHBondContact OG-CG2 3.28Å; S238-T250 WeakPolarHBondContact CA-O 3.4Å; S238-T250 WeakPolarHBondContact CB-O 3.22Å; S238-T250 PolarHBondContact OG-O 2.91Å
239A98.1Very high97.4Very high14 Ų1486.9 Ų86.912%0.11642%0.424CS..EExtended strand (participates in β ladder)trans-148.4145.917000000110T250A239-T250 PolarHBondContact N-O 2.98Å; A239-T250 PolarHBondContact O-N 3.08Å
240T98.3Very high97.4Very high1 Ų185.1 Ų85.11%0.00641%0.409CS..EExtended strand (participates in β ladder)trans-97.3120.7174.3-52.70000109.7P217 L222 N223 V248 T249P217-T240 HydrophobicContact CB-CG2 4.24Å; P217-T240 HydrophobicContact CG-CG2 3.97Å; L222-T240 WeakPolarHBondContact CA-O 3.48Å; L222-T240 HydrophobicContact CD2-CG2 3.62Å; N223-T240 PolarHBondContact N-O 3.34Å; T240-V248 WeakPolarHBondContact CA-O 3.41Å; T240-T249 PolarHBondContact OG1-OG1 2.83Å
241H98.3Very high97.5Very high89 Ų8983.7 Ų83.741%0.41240%0.402SS..EExtended strand (participates in β ladder)trans-114.8151.4178.7-62.795.7000110.9N223 Y247 V248N223-H241 PolarHBondContact OD1-CD2 3.17Å; H241-Y247 WeakPolarHBondContact O-CA 3.14Å; H241-V248 PolarHBondContact N-O 2.93Å; H241-V248 PolarHBondContact O-N 3.01Å
242R98.3Very high97.6Very high117 Ų11781.2 Ų81.244%0.44240%0.396SS..EExtended strand (participates in β ladder)trans-97.2125.5176-175.2-172.1-66.2-98.33110L222 R244 K246 Y247L222-R242 HydrophobicContact CD1-CB 4.15Å; R242-R244 WeakPolarHBondContact CD-O 3.37Å; R242-R244 VanDerWaalsContact CG-O 3.31Å; R242-R244 WeakPolarHBondContact CG-O 3.2Å; R242-K246 WeakPolarHBondContact CA-O 3.33Å; R242-Y247 HydrophobicContact CB-CD1 4.33Å; R242-Y247 HydrophobicContact CG-CD1 4.34Å; R242-Y247 HydrophobicContact CG-CE1 4.24Å; R242-Y247 PolarHBondContact NH1-OH 2.99Å; R242-Y247 PolarHBondContact NH2-OH 2.78Å
243Y98Very high97.7Very high153 Ų15381.6 Ų81.660%0.639%0.387SS*.EExtended strand (participates in β ladder)trans-113105.2165.7-179.6-106.5000109.2K245 K246Y243-K245 PolarHBondContact O-N 2.87Å; Y243-K246 PolarHBondContact N-O 2.78Å; Y243-K246 PolarHBondContact O-N 2.91Å
244R96.6Very high97.8Very high202 Ų20285.7 Ų85.776%0.76239%0.393SS*.THydrogen-bonded Turntrans53.4-110.5-172.4-58.6179.3174.2-179.6-2.2111.7R242R242-R244 WeakPolarHBondContact CD-O 3.37Å; R242-R244 VanDerWaalsContact CG-O 3.31Å; R242-R244 WeakPolarHBondContact CG-O 3.2Å
245K97.6Very high97.8Very high190 Ų19088.3 Ų88.383%0.82641%0.411SS*.THydrogen-bonded Turntrans-102.613179.5-62-174.6177.8-176.70112.8Y243Y243-K245 PolarHBondContact O-N 2.87Å
246K97.7Very high97.5Very high152 Ų15292.4 Ų92.466%0.66143%0.433SS*.EExtended strand (participates in β ladder)trans-119.7155.3-179.4-59.3-62.7-175.6179.40109.9R242 Y243R242-K246 WeakPolarHBondContact CA-O 3.33Å; Y243-K246 PolarHBondContact N-O 2.78Å; Y243-K246 PolarHBondContact O-N 2.91Å
247Y98.2Very high97.5Very high65 Ų6596.2 Ų96.226%0.25545%0.449SS..EExtended strand (participates in β ladder)trans-120.8136.8179.5-51.6-84.6000108.7E216 P217 L222 H241 R242E216-Y247 HydrophobicContact CG-CD2 4.31Å; E216-Y247 HydrophobicContact CG-CE2 3.72Å; E216-Y247 WeakPolarHBondContact OE1-CE2 3.25Å; E216-Y247 PolarHBondContact OE1-OH 2.78Å; P217-Y247 HydrophobicContact CG-CD1 3.51Å; P217-Y247 HydrophobicContact CG-CD2 4.1Å; P217-Y247 HydrophobicContact CG-CE1 4Å; P217-Y247 HydrophobicContact CG-CG 3.54Å; L222-Y247 HydrophobicContact CD1-CD1 4.29Å; L222-Y247 HydrophobicContact CD1-CE1 4.05Å; L222-Y247 HydrophobicContact CD2-CD1 4.01Å; L222-Y247 HydrophobicContact CD2-CE1 4.46Å; H241-Y247 WeakPolarHBondContact O-CA 3.14Å; R242-Y247 HydrophobicContact CB-CD1 4.33Å; R242-Y247 HydrophobicContact CG-CD1 4.34Å; R242-Y247 HydrophobicContact CG-CE1 4.24Å; R242-Y247 PolarHBondContact NH1-OH 2.99Å; R242-Y247 PolarHBondContact NH2-OH 2.78Å
248V97.9Very high97.5Very high80 Ų8098.8 Ų98.849%0.48546%0.46SS..EExtended strand (participates in β ladder)trans-130.6121.6179.4-1770000107.9T240 H241T240-V248 WeakPolarHBondContact CA-O 3.41Å; H241-V248 PolarHBondContact N-O 2.93Å; H241-V248 PolarHBondContact O-N 3.01Å
249T98.1Very high97.5Very high25 Ų25103.7 Ų103.715%0.15348%0.481CS..EExtended strand (participates in β ladder)trans-95.2110.7171.1-57.70000108.2I200 L201 L214 S238 T240 L251I200-T249 HydrophobicContact CG2-CG2 4.33Å; L201-T249 HydrophobicContact CD1-CG2 4.09Å; L201-T249 HydrophobicContact CD2-CG2 3.84Å; L201-T249 HydrophobicContact CG-CG2 4.04Å; L214-T249 HydrophobicContact CD1-CG2 4.23Å; L214-T249 WeakPolarHBondContact CD1-OG1 3.37Å; S238-T249 VanDerWaalsContact OG-CG2 3.3Å; S238-T249 WeakPolarHBondContact OG-CG2 3.28Å; T240-T249 PolarHBondContact OG1-OG1 2.83Å; T249-L251 HydrophobicContact CG2-CD1 4.24Å
250T98Very high97.5Very high78 Ų78108.9 Ų108.948%0.47950%0.503SS..EExtended strand (participates in β ladder)trans-94.6138.2178.8-54.30000109.2S238 A239S238-T250 WeakPolarHBondContact CA-O 3.4Å; S238-T250 WeakPolarHBondContact CB-O 3.22Å; S238-T250 PolarHBondContact OG-O 2.91Å; A239-T250 PolarHBondContact N-O 2.98Å; A239-T250 PolarHBondContact O-N 3.08Å
251L97.8Very high97.4Very high76 Ų76115.7 Ų115.740%0.39853%0.534SS..EExtended strand (participates in β ladder)trans-112.6133170-72.975.1000108.3L201 L237 T249 Y253L201-L251 HydrophobicContact CD1-CD1 3.93Å; L201-L251 HydrophobicContact CD1-CD2 4.24Å; L201-L251 HydrophobicContact CD1-CG 4.16Å; L201-L251 HydrophobicContact CD2-CD1 4.37Å; L237-L251 CarbonylContact O-C 3.55Å; L237-L251 WeakPolarHBondContact O-CA 3.46Å; T249-L251 HydrophobicContact CG2-CD1 4.24Å; L251-Y253 HydrophobicContact CB-CE2 4.15Å; L251-Y253 HydrophobicContact CD2-CE2 4.38Å
252L97.8Very high97.3Very high99 Ų99117.5 Ų117.552%0.51854%0.542SS..EExtended strand (participates in β ladder)trans-117.2118.8175176.164.7000109.1V236 L237 K254V236-L252 WeakPolarHBondContact CA-O 3.44Å; L237-L252 PolarHBondContact N-O 3.03Å; L237-L252 PolarHBondContact O-N 2.91Å; L252-K254 HydrophobicContact CG-CB 4.47Å
253Y97.8Very high97.3Very high148 Ų148117.5 Ų117.558%0.5855%0.549SS*.EExtended strand (participates in β ladder)trans-95.8117.4170.2-69.7-104.5000108V234 V236 L251V234-Y253 HydrophobicContact CG1-CD1 4.12Å; V236-Y253 HydrophobicContact CB-CD1 4.46Å; V236-Y253 HydrophobicContact CB-CE1 4.34Å; V236-Y253 HydrophobicContact CG1-CD1 4.27Å; V236-Y253 HydrophobicContact CG1-CD2 4.33Å; V236-Y253 HydrophobicContact CG1-CE1 3.93Å; V236-Y253 HydrophobicContact CG1-CE2 4Å; V236-Y253 HydrophobicContact CG1-CG 4.45Å; V236-Y253 HydrophobicContact CG2-CD1 3.48Å; V236-Y253 VanDerWaalsContact CG2-CD1 3.48Å; V236-Y253 HydrophobicContact CG2-CE1 3.43Å; V236-Y253 VanDerWaalsContact CG2-CE1 3.43Å; V236-Y253 HydrophobicContact CG2-CG 4.25Å; L251-Y253 HydrophobicContact CB-CE2 4.15Å; L251-Y253 HydrophobicContact CD2-CE2 4.38Å
254K97.4Very high97.2Very high129 Ų129114.8 Ų114.856%0.56155%0.545SS*.EExtended strand (participates in β ladder)trans-130.2121.7-176.9-175.9176.1176.4177.40110.5M235 L252M235-K254 PolarHBondContact N-O 3.2Å; M235-K254 PolarHBondContact O-N 2.83Å; L252-K254 HydrophobicContact CG-CB 4.47Å
255P96.6Very high97.3Very high103 Ų103107.5 Ų107.567%0.66953%0.527SS*.EExtended strand (participates in β ladder)trans-59.4144170.1-22.433.7000111.7G233G233-P255 CarbonylContact O-C 3.59Å; G233-P255 WeakPolarHBondContact O-CA 3.41Å
256I92.6Very high97.3Very high145 Ų145100 Ų10074%0.74450%0.5SS*.  trans-111.40174.2-57.7162.3000109.6I230 G233 M235I230-I256 HydrophobicContact CB-CD1 4.37Å; I230-I256 HydrophobicContact CD1-CD1 3.61Å; I230-I256 HydrophobicContact CG1-CD1 3.81Å; I230-I256 HydrophobicContact CG2-CD1 3.62Å; G233-I256 PolarHBondContact O-N 3.02Å; M235-I256 HydrophobicContact CB-CD1 3.63Å; M235-I256 HydrophobicContact CB-CG1 3.9Å; M235-I256 HydrophobicContact CE-CD1 3.81Å; M235-I256 HydrophobicContact CE-CG1 4.21Å; M235-I256 HydrophobicContact CG-CD1 4.47Å

Retrieved 256 of 256 residues in 199.3 ms (Link to these results)