A0A060D0T4_MAIZE Loading...

AP2-EREBP transcription factor

AlphaFold DB (Q8L7W9), UniProt , Accession A0A060D0T4, Species MAIZE (Zea mays, Maize), Gene EREB164, Length 248 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
1M56.4Low64.1Low248 Ų248145.5 Ų145.5100%1.22285%0.852SS**  0122.30-79171.6175.900106.6
2E46.6Very low63.1Low184 Ų184141.7 Ų141.786%0.8685%0.849SS**  trans-48.2139.7-170.4-133.1109.6115.200114.7
3A69.5Low61.7Low94 Ų94146.4 Ų146.478%0.77786%0.857SS**  trans-122.1106.9157.600000107.9
4S72.6Confident60.4Low112 Ų112143.1 Ų143.178%0.78386%0.855SS**  trans-74.1117.4176.4-55.20000110.5
5N76.2Confident59.6Low158 Ų158140.1 Ų140.185%0.84585%0.852SS**  trans-104.5121.4162-80.3-29.5000108.7
6N68.4Low59Low148 Ų148138.1 Ų138.179%0.79185%0.854SS**  trans-93.4106.1176.9178.513.8000108.2
7E68.1Low57.9Low184 Ų184134.4 Ų134.486%0.8685%0.85SS**PPolyproline II helixtrans-100123.3168.8-83.5-178.494.700109.6
8S62.5Low57.2Low112 Ų112134.1 Ų134.178%0.78385%0.853SS**PPolyproline II helixtrans-77.2126.4-179.1-55.20000110.2
9A65.3Low56.5Low91 Ų91130.5 Ų130.575%0.75284%0.844SS**PPolyproline II helixtrans-70.5147.117900000113.2
10P66.8Low56.5Low124 Ų124130.9 Ų130.981%0.80585%0.846SS**PPolyproline II helixtrans-80.2123160.531.1-29.2000110.2A12P10-A12 PolarHBondContact O-N 3.3Å
11T53.1Low56.2Low146 Ų146129.5 Ų129.590%0.89685%0.846SS**  trans-58.6116168.630.10000111.1
12A52.4Low55.3Low99 Ų99121.6 Ų121.682%0.81883%0.828SS**  trans-82.5113.9168.400000109.9P10 A14P10-A12 PolarHBondContact O-N 3.3Å; A12-A14 PolarHBondContact O-N 3.37Å
13E44.8Very low55.1Low203 Ų203116.5 Ų116.595%0.94983%0.825SS**  trans-71116164-99.7-163133.300109.5
14A43.6Very low53.8Low101 Ų101121.5 Ų121.584%0.83583%0.832SS**  trans-91126.4167.200000109.5A12A12-A14 PolarHBondContact O-N 3.37Å
15A48.5Very low52.2Low97 Ų97119.4 Ų119.480%0.80283%0.829SS**  trans-154109.4157.700000111.1
16A49.2Very low51.1Low108 Ų108123.5 Ų123.589%0.89383%0.832SS**  trans44.2125.8148.800000119.2
17G40.5Very low50Low76 Ų76127.6 Ų127.678%0.78484%0.843SS**  cis128.596.824.900000109.4
18S44.9Very low49.4Very low128 Ų128121.5 Ų121.590%0.89583%0.829SS**  trans-176.390.8150.8-118.70000110.4
19G45.2Very low49.3Very low66 Ų66126.1 Ų126.168%0.6884%0.835SS**  trans-83145.2162.400000109.8A21G19-A21 PolarHBondContact O-N 3.19Å
20P56.6Low49.2Very low138 Ų138125.9 Ų125.990%0.89683%0.833SS**  trans-73.9111.6178.529.2-31.4000110
21A48.5Very low49Very low103 Ų103125 Ų12585%0.85183%0.828SS**  trans-71.2127.4171.200000111.3G19G19-A21 PolarHBondContact O-N 3.19Å
22G37.6Very low49.7Very low81 Ų81128.7 Ų128.784%0.83583%0.831SS**  63.896.8129.400000118.4
23G43.1Very low50.8Low77 Ų77125 Ų12579%0.79480%0.803SS**  trans-156.959.8165.600000111.1
24E41.4Very low52.4Low200 Ų200115.5 Ų115.594%0.93576%0.759SS**  trans-58132.1171-119.986.189.200110.1
25G39.8Very low54Low68 Ų68116 Ų11670%0.70175%0.754SS**  trans114.370.3160.900000116.5
26R53.3Low55.7Low243 Ų243114.6 Ų114.692%0.91773%0.731SS**  trans-168.5106.7142.4-97.4152.7-163.7-155.86.2107.5G28R26-G28 PolarHBondContact O-N 2.98Å
27K45.6Very low57.2Low235 Ų235111.6 Ų111.6100%1.02270%0.7SS**  trans-64.274162.7-86.6176.5172.7175.10108.3
28G54.7Low59.2Low56 Ų56110.4 Ų110.458%0.57769%0.687SS**  trans-111.3133.6174.300000108.2R26 A30R26-G28 PolarHBondContact O-N 2.98Å; G28-A30 PolarHBondContact O-N 3.15Å
29K61.2Low61.2Low209 Ų209111.5 Ų111.591%0.90968%0.676SS**  trans-33.4125.3-179.4-69.7171.6175.3-178.70112.1
30A62.1Low63.1Low85 Ų85111.5 Ų111.570%0.70266%0.657SS**  trans-45.4136.3174.400000110.1G28 K32G28-A30 PolarHBondContact O-N 3.15Å; A30-K32 PolarHBondContact O-N 3.15Å; A30-K32 VanDerWaalsContact O-N 3.11Å
31P63.1Low64.7Low107 Ų107115.1 Ų115.170%0.69565%0.653SS**  trans-56.3125.4-179.924-32.4000108G33P31-G33 PolarHBondContact O-N 3.26Å
32K68Low66.8Low223 Ų223112.8 Ų112.897%0.9762%0.623SS**SBendtrans-71.754.8-175.1-165.589.2175.1-179.80111.3A30A30-K32 PolarHBondContact O-N 3.15Å; A30-K32 VanDerWaalsContact O-N 3.11Å
33G74.8Confident69.5Low22 Ų22113.5 Ų113.523%0.22760%0.6CS.*SBendtrans177.1-177.1-178.800000113.1P31 N37P31-G33 PolarHBondContact O-N 3.26Å; G33-N37 VanDerWaalsContact C-ND2 3.33Å; G33-N37 VanDerWaalsContact CA-ND2 3.34Å; G33-N37 WeakPolarHBondContact CA-ND2 3.49Å
34G78.6Confident72Confident3 Ų3111.1 Ų111.13%0.03158%0.576CS.*  trans-63.1162.4-178.400000114.7E36 N37 Q47 R48G34-E36 PolarHBondContact O-N 2.85Å; G34-N37 PolarHBondContact N-ND2 3.18Å; G34-N37 PolarHBondContact O-N 3.13Å; G34-N37 PolarHBondContact O-ND2 3.24Å; G34-Q47 PolarHBondContact N-O 3.06Å; G34-R48 VanDerWaalsContact CA-O 3.27Å; G34-R48 WeakPolarHBondContact CA-O 3.17Å; G34-R48 PolarHBondContact N-O 2.74Å
35P78Confident74.5Confident112 Ų112102.4 Ų102.473%0.72754%0.536SS*.THydrogen-bonded Turntrans-65.1-19.4-170.825-33.5000114.5
36E82.9Confident77.1Confident66 Ų66103.4 Ų103.431%0.30852%0.519SS..THydrogen-bonded Turntrans-103.90.5-173-52.7-179.5138.300113.6G34 G38 K39 F40 Q47 W53G34-E36 PolarHBondContact O-N 2.85Å; E36-G38 PolarHBondContact O-N 2.95Å; E36-K39 HydrophobicContact CB-CD 4.28Å; E36-K39 HydrophobicContact CG-CD 4.37Å; E36-K39 WeakPolarHBondContact O-CB 3.23Å; E36-K39 PolarHBondContact O-N 3.28Å; E36-F40 HydrophobicContact CB-CD2 4.35Å; E36-F40 PolarHBondContact O-N 2.85Å; E36-Q47 VanDerWaalsContact CB-OE1 3.25Å; E36-Q47 PolarHBondContact OE2-NE2 2.96Å; E36-W53 HydrophobicContact CB-CH2 4.04Å; E36-W53 HydrophobicContact CB-CZ2 3.83Å
37N81.7Confident79.1Confident46 Ų4692.2 Ų92.225%0.24648%0.477CS..THydrogen-bonded Turntrans-53.5-29.4175.4-81.2-30.9000113.7G33 G34 Q47G33-N37 VanDerWaalsContact C-ND2 3.33Å; G33-N37 VanDerWaalsContact CA-ND2 3.34Å; G33-N37 WeakPolarHBondContact CA-ND2 3.49Å; G34-N37 PolarHBondContact N-ND2 3.18Å; G34-N37 PolarHBondContact O-N 3.13Å; G34-N37 PolarHBondContact O-ND2 3.24Å; N37-Q47 PolarHBondContact ND2-O 2.73Å; N37-Q47 WeakPolarHBondContact OD1-CA 3.35Å; N37-Q47 WeakPolarHBondContact OD1-CB 3.34Å; N37-Q47 PolarHBondContact OD1-N 3.46Å
38G82.5Confident81.3Confident50 Ų5087.9 Ų87.952%0.51545%0.454SS..THydrogen-bonded Turntrans-72.1-33.1176.500000113.4E36 R41E36-G38 PolarHBondContact O-N 2.95Å; G38-R41 PolarHBondContact O-NE 3.49Å
39K86.9Confident83Confident151 Ų15190.1 Ų90.166%0.65746%0.461SS*.THydrogen-bonded Turntrans-81.6-44.2-172.9-54.9174.9-174.3177.90111.3E36E36-K39 HydrophobicContact CB-CD 4.28Å; E36-K39 HydrophobicContact CG-CD 4.37Å; E36-K39 WeakPolarHBondContact O-CB 3.23Å; E36-K39 PolarHBondContact O-N 3.28Å
40F85.3Confident84.3Confident66 Ų6690 Ų9029%0.28946%0.455SS..  trans-114.191.6-177.4-57.3-79.2000111E36 Y42 W53 A74 E75E36-F40 HydrophobicContact CB-CD2 4.35Å; E36-F40 PolarHBondContact O-N 2.85Å; F40-Y42 HydrophobicContact CB-CD2 4.07Å; F40-Y42 HydrophobicContact CB-CE2 3.9Å; F40-Y42 AromaticContact CD1-CE2 3.89Å; F40-Y42 HydrophobicContact CD1-CE2 3.89Å; F40-Y42 HydrophobicContact CG-CE2 4.31Å; F40-Y42 PolarHBondContact O-N 2.75Å; F40-W53 HydrophobicContact CB-CH2 3.68Å; F40-W53 HydrophobicContact CB-CZ2 4.47Å; F40-W53 HydrophobicContact CB-CZ3 4.1Å; F40-W53 AromaticContact CD2-CH2 3.84Å; F40-W53 HydrophobicContact CD2-CH2 3.84Å; F40-W53 AromaticContact CD2-CZ2 3.91Å; F40-W53 HydrophobicContact CD2-CZ2 3.91Å; F40-W53 HydrophobicContact CG-CH2 4.18Å; F40-A74 HydrophobicContact CB-CB 3.68Å; F40-A74 HydrophobicContact CD1-CB 4.14Å; F40-A74 HydrophobicContact CD2-CB 4.12Å; F40-A74 HydrophobicContact CG-CB 3.73Å; F40-E75 WeakPolarHBondContact CE1-OE1 3.49Å
41R88.9Confident85.6Confident214 Ų21487.3 Ų87.381%0.80844%0.436SS*.  trans-97.159.6-179.6-63.4-176.8179.5-151.8-1.4111.7G38G38-R41 PolarHBondContact O-NE 3.49Å
42Y94.3Very high87.1Confident55 Ų5587 Ų8722%0.21642%0.424CS..  trans-77.2142.7174.1-60-63.2000111.2F40 G44 V45 A74 A78 N96 L97F40-Y42 HydrophobicContact CB-CD2 4.07Å; F40-Y42 HydrophobicContact CB-CE2 3.9Å; F40-Y42 AromaticContact CD1-CE2 3.89Å; F40-Y42 HydrophobicContact CD1-CE2 3.89Å; F40-Y42 HydrophobicContact CG-CE2 4.31Å; F40-Y42 PolarHBondContact O-N 2.75Å; Y42-G44 PolarHBondContact O-N 3.45Å; Y42-V45 PolarHBondContact O-N 2.74Å; Y42-A74 HydrophobicContact CD2-CB 4.01Å; Y42-A74 HydrophobicContact CE2-CB 3.79Å; Y42-A78 HydrophobicContact CD1-CB 3.99Å; Y42-A78 HydrophobicContact CD2-CB 3.84Å; Y42-A78 HydrophobicContact CE1-CB 4.46Å; Y42-A78 HydrophobicContact CE2-CB 4.33Å; Y42-A78 HydrophobicContact CG-CB 3.65Å; Y42-N96 HydrophobicContact CD1-CB 3.89Å; Y42-L97 HydrophobicContact CE1-CD2 4.02Å
43R93.7Very high88.4Confident95 Ų9576.7 Ų76.736%0.35838%0.379SS..THydrogen-bonded Turntrans-63.9131.5177.6-175.2174.757.9-82.8-21.9109.5V45 Y81 H94 N96R43-V45 PolarHBondContact O-N 2.9Å; R43-Y81 HydrophobicContact CB-CE1 4.25Å; R43-Y81 WeakPolarHBondContact CD-OH 3.43Å; R43-Y81 HydrophobicContact CG-CE1 4.03Å; R43-Y81 PolarHBondContact NE-OH 3.31Å; R43-Y81 WeakPolarHBondContact O-CD1 3.48Å; R43-Y81 WeakPolarHBondContact O-CD2 3.36Å; R43-Y81 VanDerWaalsContact O-CG 3.28Å; R43-H94 PolarHBondContact NH2-O 3.49Å; R43-N96 VanDerWaalsContact CB-OD1 3.27Å; R43-N96 WeakPolarHBondContact CB-OD1 3.4Å; R43-N96 PolarHBondContact N-OD1 2.99Å; R43-N96 PolarHBondContact O-ND2 3.31Å; R43-N96 VanDerWaalsContact O-ND2 3.07Å
44G94.4Very high89.4Confident27 Ų2776 Ų7628%0.27837%0.37SS..THydrogen-bonded Turntrans72.77179.200000115.1Y42 A55 E56Y42-G44 PolarHBondContact O-N 3.45Å; G44-A55 CarbonylContact O-C 3.57Å; G44-A55 VanDerWaalsContact O-CA 3.3Å; G44-A55 WeakPolarHBondContact O-CA 3.08Å; G44-E56 WeakPolarHBondContact CA-O 3.35Å; G44-E56 PolarHBondContact O-N 3.18Å
45V95.4Very high90.3Very high18 Ų1875.9 Ų75.911%0.10937%0.369CS..EExtended strand (participates in β ladder)trans-112.8135179.5177.90000110Y42 R43 W53 V54 A55 A77 A78Y42-V45 PolarHBondContact O-N 2.74Å; R43-V45 PolarHBondContact O-N 2.9Å; V45-W53 HydrophobicContact CG1-CD2 4.5Å; V45-W53 HydrophobicContact CG1-CE3 3.52Å; V45-W53 HydrophobicContact CG1-CZ3 4.09Å; V45-V54 VanDerWaalsContact CA-O 3.32Å; V45-V54 WeakPolarHBondContact CA-O 3.27Å; V45-A55 HydrophobicContact CG2-CB 4.46Å; V45-A77 HydrophobicContact CB-CB 4.42Å; V45-A77 HydrophobicContact CG1-CB 3.67Å; V45-A77 HydrophobicContact CG2-CB 3.87Å; V45-A78 HydrophobicContact CG2-CB 4.31Å
46R94.6Very high91.2Very high89 Ų8972.1 Ų72.134%0.33634%0.341SS..EExtended strand (participates in β ladder)trans-142.4147.5174.662.5178.3-179.674.51.8111.2W53 V54 E56R46-W53 CarbonylContact O-C 3.47Å; R46-V54 HydrophobicContact CG-CB 4.13Å; R46-V54 PolarHBondContact N-O 3.46Å; R46-V54 PolarHBondContact O-N 3.42Å; R46-E56 IonicContact NE-OE2 3.53Å; R46-E56 IonicContact NH2-OE2 3.86Å
47Q94.6Very high91.8Very high8 Ų869.3 Ų69.34%0.03733%0.328CS..EExtended strand (participates in β ladder)trans-94.7129.5170.2-157.1179.738.500109.9G34 E36 N37 G51 W53G34-Q47 PolarHBondContact N-O 3.06Å; E36-Q47 VanDerWaalsContact CB-OE1 3.25Å; E36-Q47 PolarHBondContact OE2-NE2 2.96Å; N37-Q47 PolarHBondContact ND2-O 2.73Å; N37-Q47 WeakPolarHBondContact OD1-CA 3.35Å; N37-Q47 WeakPolarHBondContact OD1-CB 3.34Å; N37-Q47 PolarHBondContact OD1-N 3.46Å; Q47-G51 WeakPolarHBondContact CG-O 3.34Å; Q47-G51 PolarHBondContact NE2-O 3.37Å; Q47-G51 VanDerWaalsContact NE2-O 3.13Å; Q47-W53 HydrophobicContact CB-CD2 4.21Å; Q47-W53 HydrophobicContact CB-CE3 3.98Å; Q47-W53 HydrophobicContact CB-CH2 4.09Å; Q47-W53 HydrophobicContact CB-CZ2 4.31Å; Q47-W53 HydrophobicContact CB-CZ3 3.94Å; Q47-W53 HydrophobicContact CG-CD2 4.23Å; Q47-W53 HydrophobicContact CG-CE3 4.5Å; Q47-W53 HydrophobicContact CG-CZ2 4.24Å
48R92.7Very high92.4Very high143 Ų14373.7 Ų73.754%0.5434%0.341SS..  trans-78.7162.5170.2-175.3166.6-88.1176.9-5109.9G34 W50 G51 K52G34-R48 VanDerWaalsContact CA-O 3.27Å; G34-R48 WeakPolarHBondContact CA-O 3.17Å; G34-R48 PolarHBondContact N-O 2.74Å; R48-W50 HydrophobicContact CG-CB 4.39Å; R48-W50 PolarHBondContact O-N 2.98Å; R48-W50 VanDerWaalsContact O-N 3.14Å; R48-G51 PolarHBondContact O-N 2.91Å; R48-K52 PolarHBondContact N-O 3.06Å
49S89.8Confident92.8Very high104 Ų10474.1 Ų74.173%0.72733%0.33SS*.THydrogen-bonded Turntrans-54-28.3172.548.10000113.2G51S49-G51 PolarHBondContact O-N 2.7Å
50W87.3Confident92.7Very high206 Ų20671 Ų7178%0.7833%0.325SS*.THydrogen-bonded Turntrans-67.3-11172.3-176.7-115.2000114.5R48 K52R48-W50 HydrophobicContact CG-CB 4.39Å; R48-W50 PolarHBondContact O-N 2.98Å; R48-W50 VanDerWaalsContact O-N 3.14Å; W50-K52 VanDerWaalsContact CD1-CG 3.4Å; W50-K52 PolarHBondContact O-N 3.24Å
51G90.9Very high92.9Very high29 Ų2980.3 Ų80.330%0.29936%0.359SS..SBendtrans90-13.6178.700000115.1Q47 R48 S49Q47-G51 WeakPolarHBondContact CG-O 3.34Å; Q47-G51 PolarHBondContact NE2-O 3.37Å; Q47-G51 VanDerWaalsContact NE2-O 3.13Å; R48-G51 PolarHBondContact O-N 2.91Å; S49-G51 PolarHBondContact O-N 2.7Å
52K94Very high93Very high100 Ų10075.5 Ų75.544%0.43534%0.343SS..  trans-70.4142.6173.3-63.5-70.5-178.3-1790111.6R48 W50R48-K52 PolarHBondContact N-O 3.06Å; W50-K52 VanDerWaalsContact CD1-CG 3.4Å; W50-K52 PolarHBondContact O-N 3.24Å
53W95.6Very high92.9Very high7 Ų785 Ų853%0.02738%0.379CS..EExtended strand (participates in β ladder)trans-86.3141.3174-64.589.5000109.8E36 F40 V45 R46 Q47 T70 F71 T73 A74 A77E36-W53 HydrophobicContact CB-CH2 4.04Å; E36-W53 HydrophobicContact CB-CZ2 3.83Å; F40-W53 HydrophobicContact CB-CH2 3.68Å; F40-W53 HydrophobicContact CB-CZ2 4.47Å; F40-W53 HydrophobicContact CB-CZ3 4.1Å; F40-W53 AromaticContact CD2-CH2 3.84Å; F40-W53 HydrophobicContact CD2-CH2 3.84Å; F40-W53 AromaticContact CD2-CZ2 3.91Å; F40-W53 HydrophobicContact CD2-CZ2 3.91Å; F40-W53 HydrophobicContact CG-CH2 4.18Å; V45-W53 HydrophobicContact CG1-CD2 4.5Å; V45-W53 HydrophobicContact CG1-CE3 3.52Å; V45-W53 HydrophobicContact CG1-CZ3 4.09Å; R46-W53 CarbonylContact O-C 3.47Å; Q47-W53 HydrophobicContact CB-CD2 4.21Å; Q47-W53 HydrophobicContact CB-CE3 3.98Å; Q47-W53 HydrophobicContact CB-CH2 4.09Å; Q47-W53 HydrophobicContact CB-CZ2 4.31Å; Q47-W53 HydrophobicContact CB-CZ3 3.94Å; Q47-W53 HydrophobicContact CG-CD2 4.23Å; Q47-W53 HydrophobicContact CG-CE3 4.5Å; Q47-W53 HydrophobicContact CG-CZ2 4.24Å; W53-T70 CarbonylContact O-C 3.54Å; W53-T70 VanDerWaalsContact O-CA 3.24Å; W53-T70 WeakPolarHBondContact O-CA 3.27Å; W53-F71 HydrophobicContact CB-CB 4.37Å; W53-F71 PolarHBondContact N-O 3.39Å; W53-F71 PolarHBondContact O-N 3.3Å; W53-T73 VanDerWaalsContact CD1-C 3.42Å; W53-A74 HydrophobicContact CD2-CB 3.73Å; W53-A74 HydrophobicContact CE3-CB 3.82Å; W53-A74 HydrophobicContact CG-CB 4.48Å; W53-A74 HydrophobicContact CH2-CB 3.76Å; W53-A74 HydrophobicContact CZ2-CB 3.67Å; W53-A74 HydrophobicContact CZ3-CB 3.82Å; W53-A77 HydrophobicContact CB-CB 4.04Å
54V95.5Very high92.8Very high8 Ų884.2 Ų84.25%0.04839%0.388CS..EExtended strand (participates in β ladder)trans-126.3131.6179.4-170.80000107.8V45 R46 T70V45-V54 VanDerWaalsContact CA-O 3.32Å; V45-V54 WeakPolarHBondContact CA-O 3.27Å; R46-V54 HydrophobicContact CG-CB 4.13Å; R46-V54 PolarHBondContact N-O 3.46Å; R46-V54 PolarHBondContact O-N 3.42Å; V54-T70 HydrophobicContact CG2-CG2 4.16Å
55A97Very high92.8Very high0 Ų089.4 Ų89.40%040%0.399CS..EExtended strand (participates in β ladder)trans-109.1135.1170.600000110.9G44 V45 L68 G69 F71 A77G44-A55 CarbonylContact O-C 3.57Å; G44-A55 VanDerWaalsContact O-CA 3.3Å; G44-A55 WeakPolarHBondContact O-CA 3.08Å; V45-A55 HydrophobicContact CG2-CB 4.46Å; A55-L68 HydrophobicContact CB-CB 4.1Å; A55-L68 HydrophobicContact CB-CD1 4.18Å; A55-L68 WeakPolarHBondContact O-CB 3.44Å; A55-L68 PolarHBondContact O-N 3.35Å; A55-G69 PolarHBondContact N-O 2.97Å; A55-G69 VanDerWaalsContact N-O 3.12Å; A55-F71 HydrophobicContact CB-CD2 4.24Å; A55-F71 HydrophobicContact CB-CE2 3.73Å; A55-A77 HydrophobicContact CB-CB 4.23Å; A55-A77 WeakPolarHBondContact CB-O 3.44Å
56E96.6Very high92.7Very high32 Ų3294.8 Ų94.815%0.1542%0.421CS..EExtended strand (participates in β ladder)trans-142.2146.2175.762.5-175.5-129.100110.4G44 R46 R65 K66 Y81G44-E56 WeakPolarHBondContact CA-O 3.35Å; G44-E56 PolarHBondContact O-N 3.18Å; R46-E56 IonicContact NE-OE2 3.53Å; R46-E56 IonicContact NH2-OE2 3.86Å; E56-R65 WeakPolarHBondContact OE1-CD 3.47Å; E56-R65 IonicContact OE1-CZ 3.72Å; E56-R65 IonicContact OE1-NE 3.84Å; E56-R65 IonicContact OE1-NH1 2.8Å; E56-R65 PolarHBondContact OE1-NH1 3.34Å; E56-K66 CarbonylContact C-O 3.58Å; E56-K66 VanDerWaalsContact CA-O 3.28Å; E56-K66 WeakPolarHBondContact CA-O 3.24Å; E56-Y81 WeakPolarHBondContact O-CD2 3.48Å; E56-Y81 VanDerWaalsContact O-CE2 3.25Å; E56-Y81 WeakPolarHBondContact O-CE2 3.36Å
57I95.5Very high92.7Very high8 Ų898.6 Ų98.64%0.04144%0.436CS..EExtended strand (participates in β ladder)trans-118.4146.1178.2-166.3165.3000111.3R65 K66 L68 Y81 A84 A85 L88 Y89I57-R65 WeakPolarHBondContact O-CA 3.47Å; I57-K66 HydrophobicContact CG2-CB 3.82Å; I57-K66 HydrophobicContact CG2-CG 4.46Å; I57-K66 PolarHBondContact N-O 3.14Å; I57-K66 PolarHBondContact O-N 3.05Å; I57-L68 HydrophobicContact CB-CD1 4.22Å; I57-L68 HydrophobicContact CG2-CD1 4.43Å; I57-L68 HydrophobicContact CG2-CD2 3.86Å; I57-L68 HydrophobicContact CG2-CG 4.28Å; I57-Y81 HydrophobicContact CB-CD2 4.44Å; I57-Y81 HydrophobicContact CB-CE2 4.06Å; I57-Y81 HydrophobicContact CG1-CE2 4Å; I57-A84 HydrophobicContact CD1-CB 3.94Å; I57-A85 HydrophobicContact CD1-CB 4.32Å; I57-L88 HydrophobicContact CD1-CB 4.17Å; I57-L88 HydrophobicContact CD1-CD2 3.56Å; I57-L88 HydrophobicContact CG1-CD2 3.8Å; I57-Y89 HydrophobicContact CD1-CE2 4.1Å
58R94.8Very high92.8Very high138 Ų138100.5 Ų100.552%0.52145%0.446SS..EExtended strand (participates in β ladder)trans-117.7126.6177-61.1-167.3-175.3-176.68.9110R65 Y89R58-R65 HydrophobicContact CG-CB 4.47Å; R58-R65 HydrophobicContact CG-CG 4Å; R58-Y89 PolarHBondContact O-OH 3.17Å
59E90.2Very high93Very high58 Ų5894.4 Ų94.427%0.27143%0.427SS..  trans-81.4143.1174.7-49.1-170.1-157.500111.4R61 K62 L88E59-R61 PolarHBondContact O-N 3.24Å; E59-K62 HydrophobicContact CB-CB 4.13Å; E59-K62 HydrophobicContact CB-CD 4.13Å; E59-K62 HydrophobicContact CB-CG 4.14Å; E59-K62 HydrophobicContact CG-CD 4.2Å; E59-K62 PolarHBondContact O-N 2.88Å; E59-K62 IonicContact OE1-NZ 2.97Å; E59-K62 PolarHBondContact OE1-NZ 2.91Å; E59-K62 VanDerWaalsContact OE2-CD 3.23Å; E59-K62 WeakPolarHBondContact OE2-CD 3.4Å; E59-K62 WeakPolarHBondContact OE2-CE 3.28Å; E59-K62 IonicContact OE2-NZ 2.71Å; E59-K62 PolarHBondContact OE2-NZ 2.99Å; E59-L88 HydrophobicContact CB-CD1 4.32Å; E59-L88 HydrophobicContact CB-CD2 4.23Å; E59-L88 HydrophobicContact CG-CD1 3.59Å; E59-L88 HydrophobicContact CG-CD2 3.71Å; E59-L88 HydrophobicContact CG-CG 4.27Å
60P86Confident93.3Very high87 Ų8793.6 Ų93.657%0.56542%0.418SS*.THydrogen-bonded Turntrans-67.2134.1170.729.2-26000107.3Y89P60-Y89 HydrophobicContact CG-CE1 4.08Å
61R89.5Confident93.8Very high261 Ų26185.4 Ų85.499%0.98539%0.388SS*.THydrogen-bonded Turntrans82.8-14.1-175-48.7168.6177.2161-1.3116.7E59E59-R61 PolarHBondContact O-N 3.24Å
62K91Very high93.9Very high112 Ų11287.7 Ų87.749%0.48741%0.405SS..  trans-99.6142.5173.8-60.8-171.6-174.7162.40111E59E59-K62 HydrophobicContact CB-CB 4.13Å; E59-K62 HydrophobicContact CB-CD 4.13Å; E59-K62 HydrophobicContact CB-CG 4.14Å; E59-K62 HydrophobicContact CG-CD 4.2Å; E59-K62 PolarHBondContact O-N 2.88Å; E59-K62 IonicContact OE1-NZ 2.97Å; E59-K62 PolarHBondContact OE1-NZ 2.91Å; E59-K62 VanDerWaalsContact OE2-CD 3.23Å; E59-K62 WeakPolarHBondContact OE2-CD 3.4Å; E59-K62 WeakPolarHBondContact OE2-CE 3.28Å; E59-K62 IonicContact OE2-NZ 2.71Å; E59-K62 PolarHBondContact OE2-NZ 2.99Å
63R90.9Very high94Very high254 Ų25486 Ų8696%0.95840%0.402SS*.SBendtrans-80.5-24.8173-160.3177.4-147-175.56.1112.2
64S92.1Very high94Very high79 Ų7985.7 Ų85.755%0.55240%0.402SS*.  trans-75.1154.8-178560000112.3
65R94.1Very high94Very high137 Ų13788.8 Ų88.852%0.51742%0.416SS..EExtended strand (participates in β ladder)trans-115.2139.6173.6-44.9-170.6-171.2166.511.9108.2E56 I57 R58E56-R65 WeakPolarHBondContact OE1-CD 3.47Å; E56-R65 IonicContact OE1-CZ 3.72Å; E56-R65 IonicContact OE1-NE 3.84Å; E56-R65 IonicContact OE1-NH1 2.8Å; E56-R65 PolarHBondContact OE1-NH1 3.34Å; I57-R65 WeakPolarHBondContact O-CA 3.47Å; R58-R65 HydrophobicContact CG-CB 4.47Å; R58-R65 HydrophobicContact CG-CG 4Å
66K94.1Very high94Very high131 Ų13191 Ų9157%0.5743%0.428SS*.EExtended strand (participates in β ladder)trans-96.1119.4172.4-178.8173.6-176.4173.90108.8E56 I57 L68E56-K66 CarbonylContact C-O 3.58Å; E56-K66 VanDerWaalsContact CA-O 3.28Å; E56-K66 WeakPolarHBondContact CA-O 3.24Å; I57-K66 HydrophobicContact CG2-CB 3.82Å; I57-K66 HydrophobicContact CG2-CG 4.46Å; I57-K66 PolarHBondContact N-O 3.14Å; I57-K66 PolarHBondContact O-N 3.05Å; K66-L68 HydrophobicContact CG-CD2 4.42Å
67W94.4Very high94Very high168 Ų16889.5 Ų89.564%0.63642%0.421SS*.EExtended strand (participates in β ladder)trans-73.3127171.5176.643.1000109.1G69 T70W67-G69 PolarHBondContact NE1-O 2.77Å; W67-T70 HydrophobicContact CZ2-CG2 3.84Å
68L96.1Very high94Very high48 Ų4889.1 Ų89.125%0.25142%0.419SS..EExtended strand (participates in β ladder)trans-96.4-25.8-177.5-59.5177.9000112.3A55 I57 K66 Y81 A84A55-L68 HydrophobicContact CB-CB 4.1Å; A55-L68 HydrophobicContact CB-CD1 4.18Å; A55-L68 WeakPolarHBondContact O-CB 3.44Å; A55-L68 PolarHBondContact O-N 3.35Å; I57-L68 HydrophobicContact CB-CD1 4.22Å; I57-L68 HydrophobicContact CG2-CD1 4.43Å; I57-L68 HydrophobicContact CG2-CD2 3.86Å; I57-L68 HydrophobicContact CG2-CG 4.28Å; K66-L68 HydrophobicContact CG-CD2 4.42Å; L68-Y81 HydrophobicContact CD1-CD2 4.2Å; L68-A84 HydrophobicContact CD1-CB 3.66Å; L68-A84 HydrophobicContact CD2-CB 3.64Å; L68-A84 HydrophobicContact CG-CB 4.32Å
69G96.6Very high94.1Very high15 Ų1588.9 Ų88.916%0.15542%0.418CS..EExtended strand (participates in β ladder)trans149.4179.2179.100000113.5A55 W67A55-G69 PolarHBondContact N-O 2.97Å; A55-G69 VanDerWaalsContact N-O 3.12Å; W67-G69 PolarHBondContact NE1-O 2.77Å
70T96.9Very high94.4Very high87 Ų8786.5 Ų86.553%0.53441%0.408SS..EExtended strand (participates in β ladder)trans-115.1140170.650.70000108.7W53 V54 W67W53-T70 CarbonylContact O-C 3.54Å; W53-T70 VanDerWaalsContact O-CA 3.24Å; W53-T70 WeakPolarHBondContact O-CA 3.27Å; V54-T70 HydrophobicContact CG2-CG2 4.16Å; W67-T70 HydrophobicContact CZ2-CG2 3.84Å
71F96.9Very high94.9Very high34 Ų3483 Ų8315%0.14938%0.384CS..EExtended strand (participates in β ladder)trans-133.4155.3-171.4-55.5-84.7000110.2W53 A55 D76 A77 A80W53-F71 HydrophobicContact CB-CB 4.37Å; W53-F71 PolarHBondContact N-O 3.39Å; W53-F71 PolarHBondContact O-N 3.3Å; A55-F71 HydrophobicContact CB-CD2 4.24Å; A55-F71 HydrophobicContact CB-CE2 3.73Å; F71-D76 HydrophobicContact CB-CB 4.47Å; F71-D76 HydrophobicContact CD1-CB 4.41Å; F71-D76 VanDerWaalsContact CD1-OD2 3.28Å; F71-D76 WeakPolarHBondContact CD1-OD2 3.32Å; F71-A77 HydrophobicContact CB-CB 3.99Å; F71-A77 VanDerWaalsContact CD2-CA 3.45Å; F71-A77 HydrophobicContact CD2-CB 3.52Å; F71-A77 HydrophobicContact CE2-CB 4.33Å; F71-A77 HydrophobicContact CG-CB 3.94Å; F71-A80 HydrophobicContact CE1-CB 3.82Å; F71-A80 HydrophobicContact CE2-CB 3.82Å; F71-A80 HydrophobicContact CZ-CB 3.27Å
72A94.9Very high95.2Very high78 Ų7871.1 Ų71.165%0.64534%0.34SS*.SBendtrans-77.6-30.5176.900000112.3
73T95.3Very high95.4Very high63 Ų6372.9 Ų72.939%0.38734%0.343SS..SBendtrans-122.7158.2-176.968.80000112.2W53 D76 A77W53-T73 VanDerWaalsContact CD1-C 3.42Å; T73-D76 VanDerWaalsContact OG1-CB 3.23Å; T73-D76 WeakPolarHBondContact OG1-CB 3.45Å; T73-D76 PolarHBondContact OG1-N 3.42Å; T73-A77 PolarHBondContact O-N 2.75Å
74A95Very high95.6Very high2 Ų261.6 Ų61.62%0.01731%0.305CS..Hα-helixtrans-69.9-38.5178.900000111.5F40 Y42 W53 A77 A78F40-A74 HydrophobicContact CB-CB 3.68Å; F40-A74 HydrophobicContact CD1-CB 4.14Å; F40-A74 HydrophobicContact CD2-CB 4.12Å; F40-A74 HydrophobicContact CG-CB 3.73Å; Y42-A74 HydrophobicContact CD2-CB 4.01Å; Y42-A74 HydrophobicContact CE2-CB 3.79Å; W53-A74 HydrophobicContact CD2-CB 3.73Å; W53-A74 HydrophobicContact CE3-CB 3.82Å; W53-A74 HydrophobicContact CG-CB 4.48Å; W53-A74 HydrophobicContact CH2-CB 3.76Å; W53-A74 HydrophobicContact CZ2-CB 3.67Å; W53-A74 HydrophobicContact CZ3-CB 3.82Å; A74-A77 PolarHBondContact O-N 3.03Å; A74-A78 WeakPolarHBondContact O-CB 3.49Å; A74-A78 PolarHBondContact O-N 3.4Å
75E95.5Very high95.7Very high73 Ų7357.9 Ų57.934%0.34128%0.278SS..Hα-helixtrans-67.3-40.1-178.4-61.575.3-166.600111.1F40 A78 R79F40-E75 WeakPolarHBondContact CE1-OE1 3.49Å; E75-A78 WeakPolarHBondContact O-CB 3.47Å; E75-A78 PolarHBondContact O-N 3.11Å; E75-R79 WeakPolarHBondContact O-CG 3.43Å; E75-R79 PolarHBondContact O-N 3.37Å
76D96.7Very high95.7Very high47 Ų4755.1 Ų55.125%0.25127%0.273SS..Hα-helixtrans-69.7-40.2178.8-162.546.1000111.6F71 T73 A78 R79 A80F71-D76 HydrophobicContact CB-CB 4.47Å; F71-D76 HydrophobicContact CD1-CB 4.41Å; F71-D76 VanDerWaalsContact CD1-OD2 3.28Å; F71-D76 WeakPolarHBondContact CD1-OD2 3.32Å; T73-D76 VanDerWaalsContact OG1-CB 3.23Å; T73-D76 WeakPolarHBondContact OG1-CB 3.45Å; T73-D76 PolarHBondContact OG1-N 3.42Å; D76-A78 VanDerWaalsContact C-N 3.29Å; D76-A78 PolarHBondContact O-N 3.34Å; D76-R79 PolarHBondContact O-N 3.29Å; D76-R79 IonicContact OD1-CZ 3.47Å; D76-R79 IonicContact OD1-NE 3.35Å; D76-R79 PolarHBondContact OD1-NE 3.5Å; D76-R79 IonicContact OD1-NH2 2.75Å; D76-R79 PolarHBondContact OD1-NH2 3.41Å; D76-A80 PolarHBondContact O-N 3Å
77A96.7Very high95.7Very high0 Ų056.3 Ų56.30%029%0.285CS..Hα-helixtrans-58.7-41.6169.600000111.9V45 W53 A55 F71 T73 A74 A80 Y81V45-A77 HydrophobicContact CB-CB 4.42Å; V45-A77 HydrophobicContact CG1-CB 3.67Å; V45-A77 HydrophobicContact CG2-CB 3.87Å; W53-A77 HydrophobicContact CB-CB 4.04Å; A55-A77 HydrophobicContact CB-CB 4.23Å; A55-A77 WeakPolarHBondContact CB-O 3.44Å; F71-A77 HydrophobicContact CB-CB 3.99Å; F71-A77 VanDerWaalsContact CD2-CA 3.45Å; F71-A77 HydrophobicContact CD2-CB 3.52Å; F71-A77 HydrophobicContact CE2-CB 4.33Å; F71-A77 HydrophobicContact CG-CB 3.94Å; T73-A77 PolarHBondContact O-N 2.75Å; A74-A77 PolarHBondContact O-N 3.03Å; A77-A80 PolarHBondContact O-N 2.86Å; A77-Y81 PolarHBondContact O-N 3.07Å
78A96.1Very high95.6Very high0 Ų051.1 Ų51.10%027%0.269CS..Hα-helixtrans-65.8-41.2177.600000112.2Y42 V45 A74 E75 D76 A80 Y81 D82 N96 L97Y42-A78 HydrophobicContact CD1-CB 3.99Å; Y42-A78 HydrophobicContact CD2-CB 3.84Å; Y42-A78 HydrophobicContact CE1-CB 4.46Å; Y42-A78 HydrophobicContact CE2-CB 4.33Å; Y42-A78 HydrophobicContact CG-CB 3.65Å; V45-A78 HydrophobicContact CG2-CB 4.31Å; A74-A78 WeakPolarHBondContact O-CB 3.49Å; A74-A78 PolarHBondContact O-N 3.4Å; E75-A78 WeakPolarHBondContact O-CB 3.47Å; E75-A78 PolarHBondContact O-N 3.11Å; D76-A78 VanDerWaalsContact C-N 3.29Å; D76-A78 PolarHBondContact O-N 3.34Å; A78-A80 VanDerWaalsContact C-N 3.35Å; A78-A80 PolarHBondContact O-N 3.37Å; A78-Y81 WeakPolarHBondContact O-CB 3.42Å; A78-Y81 PolarHBondContact O-N 3.24Å; A78-D82 WeakPolarHBondContact O-CB 3.44Å; A78-D82 VanDerWaalsContact O-CG 3.26Å; A78-D82 PolarHBondContact O-N 3.06Å; A78-N96 HydrophobicContact CB-CB 4.05Å; A78-L97 HydrophobicContact CB-CD1 4.24Å; A78-L97 HydrophobicContact CB-CD2 4.36Å; A78-L97 HydrophobicContact CB-CG 4.24Å
79R96.2Very high95.4Very high132 Ų13253.4 Ų53.450%0.49828%0.276SS..Hα-helixtrans-60.6-43.3172.7-74.2-170.5-61.6-158.12.5111.8E75 D76 Y81 D82 R83 L97E75-R79 WeakPolarHBondContact O-CG 3.43Å; E75-R79 PolarHBondContact O-N 3.37Å; D76-R79 PolarHBondContact O-N 3.29Å; D76-R79 IonicContact OD1-CZ 3.47Å; D76-R79 IonicContact OD1-NE 3.35Å; D76-R79 PolarHBondContact OD1-NE 3.5Å; D76-R79 IonicContact OD1-NH2 2.75Å; D76-R79 PolarHBondContact OD1-NH2 3.41Å; R79-Y81 VanDerWaalsContact C-N 3.32Å; R79-Y81 PolarHBondContact O-N 2.88Å; R79-D82 PolarHBondContact O-N 2.78Å; R79-R83 WeakPolarHBondContact O-CG 3.25Å; R79-R83 PolarHBondContact O-N 3.28Å; R79-L97 HydrophobicContact CB-CD1 4.18Å; R79-L97 HydrophobicContact CG-CD1 3.17Å
80A96.8Very high95.1Very high9 Ų953.8 Ų53.87%0.07428%0.279CS..Hα-helixtrans-61.9-42.3177.200000111.5F71 D76 A77 A78 A84F71-A80 HydrophobicContact CE1-CB 3.82Å; F71-A80 HydrophobicContact CE2-CB 3.82Å; F71-A80 HydrophobicContact CZ-CB 3.27Å; D76-A80 PolarHBondContact O-N 3Å; A77-A80 PolarHBondContact O-N 2.86Å; A78-A80 VanDerWaalsContact C-N 3.35Å; A78-A80 PolarHBondContact O-N 3.37Å; A80-A84 PolarHBondContact O-N 3.12Å
81Y96.8Very high94.8Very high12 Ų1255.8 Ų55.85%0.04729%0.294CS..Hα-helixtrans-61.1-45.4172.7-175.7-84.6000112.1R43 E56 I57 L68 A77 A78 R79 R83 A84 A85 N96R43-Y81 HydrophobicContact CB-CE1 4.25Å; R43-Y81 WeakPolarHBondContact CD-OH 3.43Å; R43-Y81 HydrophobicContact CG-CE1 4.03Å; R43-Y81 PolarHBondContact NE-OH 3.31Å; R43-Y81 WeakPolarHBondContact O-CD1 3.48Å; R43-Y81 WeakPolarHBondContact O-CD2 3.36Å; R43-Y81 VanDerWaalsContact O-CG 3.28Å; E56-Y81 WeakPolarHBondContact O-CD2 3.48Å; E56-Y81 VanDerWaalsContact O-CE2 3.25Å; E56-Y81 WeakPolarHBondContact O-CE2 3.36Å; I57-Y81 HydrophobicContact CB-CD2 4.44Å; I57-Y81 HydrophobicContact CB-CE2 4.06Å; I57-Y81 HydrophobicContact CG1-CE2 4Å; L68-Y81 HydrophobicContact CD1-CD2 4.2Å; A77-Y81 PolarHBondContact O-N 3.07Å; A78-Y81 WeakPolarHBondContact O-CB 3.42Å; A78-Y81 PolarHBondContact O-N 3.24Å; R79-Y81 VanDerWaalsContact C-N 3.32Å; R79-Y81 PolarHBondContact O-N 2.88Å; Y81-R83 PolarHBondContact O-N 2.99Å; Y81-A84 PolarHBondContact O-N 3.34Å; Y81-A84 VanDerWaalsContact O-N 3.17Å; Y81-A85 HydrophobicContact CD1-CB 4.36Å; Y81-A85 HydrophobicContact CE1-CB 4.06Å; Y81-A85 WeakPolarHBondContact O-CB 3.48Å; Y81-A85 PolarHBondContact O-N 2.95Å; Y81-N96 WeakPolarHBondContact CD1-ND2 3.29Å
82D95.8Very high94.5Very high12 Ų1264.9 Ų64.96%0.06433%0.327CS..Hα-helixtrans-62.5-42.6-178.5-74.2-8.2000112.1A78 R79 A84 A85 L86 L95 N96 L97A78-D82 WeakPolarHBondContact O-CB 3.44Å; A78-D82 VanDerWaalsContact O-CG 3.26Å; A78-D82 PolarHBondContact O-N 3.06Å; R79-D82 PolarHBondContact O-N 2.78Å; D82-A84 VanDerWaalsContact C-N 3.35Å; D82-A84 PolarHBondContact O-N 3.01Å; D82-A85 PolarHBondContact O-N 3.49Å; D82-L86 WeakPolarHBondContact O-CG 3.43Å; D82-L86 PolarHBondContact O-N 3.33Å; D82-L95 HydrophobicContact CB-CB 4.24Å; D82-L95 HydrophobicContact CB-CD1 4.44Å; D82-L95 HydrophobicContact CB-CD2 3.88Å; D82-L95 HydrophobicContact CB-CG 4.4Å; D82-L95 WeakPolarHBondContact O-CD2 3.4Å; D82-L95 WeakPolarHBondContact OD1-CA 3.42Å; D82-N96 WeakPolarHBondContact OD1-CB 3.28Å; D82-N96 PolarHBondContact OD1-N 3.46Å; D82-N96 PolarHBondContact OD1-ND2 3.46Å; D82-N96 PolarHBondContact OD2-N 3.17Å; D82-L97 PolarHBondContact OD2-N 2.89Å
83R95.6Very high94.3Very high150 Ų15061.9 Ų61.957%0.56630%0.302SS*.Hα-helixtrans-58.7-46172.6-70.2-172.8-61.4-131.80.4111.7R79 Y81 A85 L86 L87R79-R83 WeakPolarHBondContact O-CG 3.25Å; R79-R83 PolarHBondContact O-N 3.28Å; Y81-R83 PolarHBondContact O-N 2.99Å; R83-A85 VanDerWaalsContact C-N 3.34Å; R83-A85 PolarHBondContact O-N 2.95Å; R83-L86 PolarHBondContact O-N 2.99Å; R83-L87 WeakPolarHBondContact O-CG 3.36Å; R83-L87 PolarHBondContact O-N 3.49Å
84A95.3Very high94.1Very high17 Ų1766.2 Ų66.214%0.1432%0.318CS..Hα-helixtrans-65.9-37.5178.400000112.2I57 L68 A80 Y81 D82 L87 L88I57-A84 HydrophobicContact CD1-CB 3.94Å; L68-A84 HydrophobicContact CD1-CB 3.66Å; L68-A84 HydrophobicContact CD2-CB 3.64Å; L68-A84 HydrophobicContact CG-CB 4.32Å; A80-A84 PolarHBondContact O-N 3.12Å; Y81-A84 PolarHBondContact O-N 3.34Å; Y81-A84 VanDerWaalsContact O-N 3.17Å; D82-A84 VanDerWaalsContact C-N 3.35Å; D82-A84 PolarHBondContact O-N 3.01Å; A84-L87 PolarHBondContact O-N 3.25Å; A84-L88 WeakPolarHBondContact O-CB 3.46Å; A84-L88 PolarHBondContact O-N 2.81Å
85A94.6Very high94Very high0 Ų067.8 Ų67.80%033%0.325CS..Hα-helixtrans-65.9-39.9178.600000111.9I57 Y81 D82 R83 L87 L88 Y89 A93 L95I57-A85 HydrophobicContact CD1-CB 4.32Å; Y81-A85 HydrophobicContact CD1-CB 4.36Å; Y81-A85 HydrophobicContact CE1-CB 4.06Å; Y81-A85 WeakPolarHBondContact O-CB 3.48Å; Y81-A85 PolarHBondContact O-N 2.95Å; D82-A85 PolarHBondContact O-N 3.49Å; R83-A85 VanDerWaalsContact C-N 3.34Å; R83-A85 PolarHBondContact O-N 2.95Å; A85-L87 VanDerWaalsContact C-N 3.33Å; A85-L87 PolarHBondContact O-N 3.46Å; A85-L88 PolarHBondContact O-N 2.59Å; A85-Y89 HydrophobicContact CB-CD2 3.95Å; A85-Y89 HydrophobicContact CB-CE2 4.17Å; A85-Y89 WeakPolarHBondContact O-CD2 3.3Å; A85-Y89 PolarHBondContact O-N 3.29Å; A85-A93 HydrophobicContact CB-CB 4.16Å; A85-A93 WeakPolarHBondContact O-CB 3.45Å; A85-L95 HydrophobicContact CB-CD2 4Å
86L93.9Very high93.9Very high79 Ų7965.6 Ų65.641%0.41432%0.316SS..Hα-helixtrans-60-42.4173.8-75.7171.3000112.2D82 R83 G90 A93 L95D82-L86 WeakPolarHBondContact O-CG 3.43Å; D82-L86 PolarHBondContact O-N 3.33Å; R83-L86 PolarHBondContact O-N 2.99Å; L86-G90 CarbonylContact O-C 3.5Å; L86-G90 WeakPolarHBondContact O-CA 3.36Å; L86-G90 PolarHBondContact O-N 2.95Å; L86-A93 HydrophobicContact CD2-CB 4.32Å; L86-L95 HydrophobicContact CD1-CD1 4.1Å; L86-L95 HydrophobicContact CD2-CD1 4Å; L86-L95 HydrophobicContact CD2-CD2 4.27Å; L86-L95 HydrophobicContact CG-CD1 4.01Å; L86-L95 HydrophobicContact CG-CD2 3.96Å
87L92.8Very high93.5Very high156 Ų15666.9 Ų66.982%0.81732%0.323SS*.Hα-helixtrans-69.5-36.5179-64.8172.4000112.2R83 A84 A85R83-L87 WeakPolarHBondContact O-CG 3.36Å; R83-L87 PolarHBondContact O-N 3.49Å; A84-L87 PolarHBondContact O-N 3.25Å; A85-L87 VanDerWaalsContact C-N 3.33Å; A85-L87 PolarHBondContact O-N 3.46Å
88L92.8Very high92.5Very high59 Ų5971.8 Ų71.831%0.30935%0.353SS..Hα-helixtrans-85.9-43.6-173.9-177.568.3000113.8I57 E59 A84 A85I57-L88 HydrophobicContact CD1-CB 4.17Å; I57-L88 HydrophobicContact CD1-CD2 3.56Å; I57-L88 HydrophobicContact CG1-CD2 3.8Å; E59-L88 HydrophobicContact CB-CD1 4.32Å; E59-L88 HydrophobicContact CB-CD2 4.23Å; E59-L88 HydrophobicContact CG-CD1 3.59Å; E59-L88 HydrophobicContact CG-CD2 3.71Å; E59-L88 HydrophobicContact CG-CG 4.27Å; A84-L88 WeakPolarHBondContact O-CB 3.46Å; A84-L88 PolarHBondContact O-N 2.81Å; A85-L88 PolarHBondContact O-N 2.59Å
89Y91.8Very high90.5Very high97 Ų9775.7 Ų75.738%0.3838%0.38SS..Hα-helixtrans-101.5-11.4-176.9-51.9-71.8000113I57 R58 P60 A85 A93I57-Y89 HydrophobicContact CD1-CE2 4.1Å; R58-Y89 PolarHBondContact O-OH 3.17Å; P60-Y89 HydrophobicContact CG-CE1 4.08Å; A85-Y89 HydrophobicContact CB-CD2 3.95Å; A85-Y89 HydrophobicContact CB-CE2 4.17Å; A85-Y89 WeakPolarHBondContact O-CD2 3.3Å; A85-Y89 PolarHBondContact O-N 3.29Å; Y89-A93 HydrophobicContact CD2-CB 4.33Å
90G91Very high88.5Confident22 Ų2274.6 Ų74.623%0.22739%0.39CS..  trans85.4-164.1-178.600000113.9L86 R92 A93L86-G90 CarbonylContact O-C 3.5Å; L86-G90 WeakPolarHBondContact O-CA 3.36Å; L86-G90 PolarHBondContact O-N 2.95Å; G90-R92 PolarHBondContact O-N 3.46Å; G90-A93 VanDerWaalsContact O-CB 3.29Å; G90-A93 WeakPolarHBondContact O-CB 3.16Å; G90-A93 PolarHBondContact O-N 2.8Å
91P90.7Very high86.4Confident129 Ų12979.5 Ų79.584%0.83842%0.421SS*.THydrogen-bonded Turntrans-68-11-172.427.4-35.6000114.3
92R89.5Confident84.2Confident226 Ų22684.2 Ų84.285%0.85345%0.453SS*.THydrogen-bonded Turntrans-97.511176.4-60.9179.767159.21.7112.6G90 H94G90-R92 PolarHBondContact O-N 3.46Å; R92-H94 PolarHBondContact O-N 2.92Å
93A91.6Very high82.1Confident15 Ų1589 Ų8912%0.12449%0.485CS..  trans-57.6132.6175.400000110.3A85 L86 Y89 G90 L95A85-A93 HydrophobicContact CB-CB 4.16Å; A85-A93 WeakPolarHBondContact O-CB 3.45Å; L86-A93 HydrophobicContact CD2-CB 4.32Å; Y89-A93 HydrophobicContact CD2-CB 4.33Å; G90-A93 VanDerWaalsContact O-CB 3.29Å; G90-A93 WeakPolarHBondContact O-CB 3.16Å; G90-A93 PolarHBondContact O-N 2.8Å; A93-L95 HydrophobicContact CB-CD2 3.92Å; A93-L95 PolarHBondContact O-N 3.26Å
94H91.3Very high79.9Confident153 Ų15388 Ų8871%0.70850%0.496SS*.  trans-70132.3165.7-63179.7000106.8R43 R92R43-H94 PolarHBondContact NH2-O 3.49Å; R92-H94 PolarHBondContact O-N 2.92Å
95L93.5Very high77.6Confident35 Ų3596.1 Ų96.118%0.18354%0.536CS..  trans-117.5156.1-179.9-55.8-173.2000109.6D82 A85 L86 A93 T98D82-L95 HydrophobicContact CB-CB 4.24Å; D82-L95 HydrophobicContact CB-CD1 4.44Å; D82-L95 HydrophobicContact CB-CD2 3.88Å; D82-L95 HydrophobicContact CB-CG 4.4Å; D82-L95 WeakPolarHBondContact O-CD2 3.4Å; D82-L95 WeakPolarHBondContact OD1-CA 3.42Å; A85-L95 HydrophobicContact CB-CD2 4Å; L86-L95 HydrophobicContact CD1-CD1 4.1Å; L86-L95 HydrophobicContact CD2-CD1 4Å; L86-L95 HydrophobicContact CD2-CD2 4.27Å; L86-L95 HydrophobicContact CG-CD1 4.01Å; L86-L95 HydrophobicContact CG-CD2 3.96Å; A93-L95 HydrophobicContact CB-CD2 3.92Å; A93-L95 PolarHBondContact O-N 3.26Å; L95-T98 HydrophobicContact CB-CG2 3.6Å; L95-T98 WeakPolarHBondContact CB-OG1 3.33Å; L95-T98 HydrophobicContact CD1-CG2 3.55Å; L95-T98 HydrophobicContact CG-CG2 4.05Å
96N92.6Very high75.4Confident28 Ų28100.3 Ų100.315%0.1557%0.57CS.*SBendtrans-78.9-39.5-178.1-71.6-44.4000111.5Y42 R43 A78 Y81 D82Y42-N96 HydrophobicContact CD1-CB 3.89Å; R43-N96 VanDerWaalsContact CB-OD1 3.27Å; R43-N96 WeakPolarHBondContact CB-OD1 3.4Å; R43-N96 PolarHBondContact N-OD1 2.99Å; R43-N96 PolarHBondContact O-ND2 3.31Å; R43-N96 VanDerWaalsContact O-ND2 3.07Å; A78-N96 HydrophobicContact CB-CB 4.05Å; Y81-N96 WeakPolarHBondContact CD1-ND2 3.29Å; D82-N96 WeakPolarHBondContact OD1-CB 3.28Å; D82-N96 PolarHBondContact OD1-N 3.46Å; D82-N96 PolarHBondContact OD1-ND2 3.46Å; D82-N96 PolarHBondContact OD2-N 3.17Å
97L88.5Confident73.2Confident73 Ų73100.5 Ų100.538%0.38258%0.583SS.*SBendtrans-1015.7-170.1-59.2171.8000113.8Y42 A78 R79 D82 S99Y42-L97 HydrophobicContact CE1-CD2 4.02Å; A78-L97 HydrophobicContact CB-CD1 4.24Å; A78-L97 HydrophobicContact CB-CD2 4.36Å; A78-L97 HydrophobicContact CB-CG 4.24Å; R79-L97 HydrophobicContact CB-CD1 4.18Å; R79-L97 HydrophobicContact CG-CD1 3.17Å; D82-L97 PolarHBondContact OD2-N 2.89Å; L97-S99 VanDerWaalsContact C-N 3.27Å; L97-S99 PolarHBondContact O-N 2.88Å
98T74.7Confident71.1Confident103 Ų10398.6 Ų98.663%0.63258%0.581SS**SBendtrans-86.212.6-179.153.10000115L95L95-T98 HydrophobicContact CB-CG2 3.6Å; L95-T98 WeakPolarHBondContact CB-OG1 3.33Å; L95-T98 HydrophobicContact CD1-CG2 3.55Å; L95-T98 HydrophobicContact CG-CG2 4.05Å
99S55.1Low68.7Low82 Ų82107 Ų10757%0.57361%0.608SS**SBendtrans-137.7131.5163.9-179.40000107.2L97L97-S99 VanDerWaalsContact C-N 3.27Å; L97-S99 PolarHBondContact O-N 2.88Å
100P53.8Low66.7Low109 Ų109107 Ų10771%0.70862%0.622SS**PPolyproline II helixtrans-53.9141.6167.425.1-32.4000108.4
101P52.6Low65Low113 Ų113113.8 Ų113.873%0.73465%0.648SS**PPolyproline II helixtrans-56138.5-179.423.7-33.1000109.4
102P51.7Low63.4Low110 Ų110111.8 Ų111.871%0.71464%0.635SS**PPolyproline II helixtrans-58.4130.5170.225.7-32.1000107.6T104P102-T104 PolarHBondContact O-N 3.4Å
103P51.5Low61.5Low114 Ų114108.6 Ų108.674%0.7463%0.629SS**  trans-60.4112.6-179.723.5-31.9000108.6L105P103-L105 VanDerWaalsContact C-N 3.31Å; P103-L105 PolarHBondContact O-N 3.32Å
104T49Very low59.6Low129 Ų129113 Ų11379%0.79166%0.659SS**  trans-6094.2168.141.20000108.4P102 A106P102-T104 PolarHBondContact O-N 3.4Å; T104-A106 PolarHBondContact O-N 3.03Å
105L46.7Very low57.7Low186 Ų186110.6 Ų110.697%0.97466%0.66SS**SBendtrans46.618.5154.6-68.2165.3000118.9P103P103-L105 VanDerWaalsContact C-N 3.31Å; P103-L105 PolarHBondContact O-N 3.32Å
106A47.5Very low55.7Low88 Ų88114 Ų11473%0.72769%0.693SS**  trans-139.166.8-179.900000111.5T104T104-A106 PolarHBondContact O-N 3.03Å
107A49.6Very low54Low83 Ų83118.3 Ų118.369%0.68672%0.72SS**  trans-173125.5144.100000109.2
108P48.5Very low52.3Low117 Ų117120.4 Ų120.476%0.7674%0.741SS**  trans-67145.2175.130.4-32.1000109.3S110P108-S110 PolarHBondContact O-N 3.06Å
109R42.1Very low51.5Low235 Ų235120.3 Ų120.389%0.88775%0.745SS**  trans-40.9109.9166.7-66.2169.9171-146.1-2.9109.7
110S49.8Very low51.7Low97 Ų97120.8 Ų120.868%0.67875%0.754SS**  trans-130.2116.9158.252.50000107.2P108 P112P108-S110 PolarHBondContact O-N 3.06Å; S110-P112 WeakPolarHBondContact O-CD 3.12Å
111H54.2Low52.3Low164 Ų164121.2 Ų121.276%0.75976%0.756SS**  trans-82115.7161.3-22.6-81.7000104.6
112P57Low52.4Low88 Ų88121.4 Ų121.457%0.57176%0.758SS**  trans-120110.9149.134.2-25.6000108.2S110S110-P112 WeakPolarHBondContact O-CD 3.12Å
113H49.7Very low52.3Low158 Ų158120.3 Ų120.373%0.73176%0.758SS**  38.4125.490.776.2-110.1000114.1
114S52.4Low52.5Low107 Ų107122.7 Ų122.775%0.74876%0.763SS**  trans78.8111.2159.2-44.70000115.5
115S50.7Low53.3Low103 Ų103127.1 Ų127.172%0.7277%0.766SS**  -161.9110.762.232.40000110.4T117S115-T117 PolarHBondContact O-N 2.86Å; S115-T117 VanDerWaalsContact O-N 3.15Å
116A52.6Low53.9Low106 Ų106123.8 Ų123.888%0.87676%0.755SS**  trans-7098.3155.100000107S118A116-S118 PolarHBondContact O-N 3.47Å; A116-S118 VanDerWaalsContact O-N 3.15Å
117T56.8Low54.5Low119 Ų119126.7 Ų126.773%0.7376%0.758SS**  trans-77.3100170.4-58.20000108S115 S119S115-T117 PolarHBondContact O-N 2.86Å; S115-T117 VanDerWaalsContact O-N 3.15Å; T117-S119 PolarHBondContact O-N 3.34Å
118S53.2Low55.2Low118 Ų118130.3 Ų130.383%0.82576%0.764SS**  trans-61.1108.1164.6174.30000109.8A116A116-S118 PolarHBondContact O-N 3.47Å; A116-S118 VanDerWaalsContact O-N 3.15Å
119S56.9Low56.1Low101 Ų101130.2 Ų130.271%0.70676%0.764SS**  trans-139.9100.5153.966.70000108.1T117T117-S119 PolarHBondContact O-N 3.34Å
120A60.1Low57.2Low92 Ų92130.3 Ų130.376%0.7676%0.764SS**  trans-56.8148.2175.200000111.6
121P65.5Low58.1Low117 Ų117131 Ų13176%0.7677%0.766SS**  -112.1139.1121.531.4-31.4000109.9
122P55.8Low58.7Low118 Ų118128.3 Ų128.377%0.76676%0.763SS**  trans-70.9143.4175.931.8-32.1000109.4
123A49.7Very low58.7Low86 Ų86132.3 Ų132.371%0.71178%0.779SS**  trans49.3120.915800000115.9
124L55.1Low59.3Low165 Ų165132 Ų13286%0.86478%0.777SS**  -172.6119.183.2-81.6163.8000105.3P126L124-P126 WeakPolarHBondContact O-CD 3.36Å
125R66.3Low59.2Low222 Ų222135.6 Ų135.684%0.83878%0.783SS**  trans-72.4123.7164.5-60.6177.7177.5172.9-1.1106.6L127R125-L127 VanDerWaalsContact C-N 3.26Å; R125-L127 PolarHBondContact O-N 2.72Å
126P59.4Low59.6Low116 Ų116138.1 Ų138.175%0.75379%0.787SS**  trans-74.694.2154-1.420.5000105.6L124 L128L124-P126 WeakPolarHBondContact O-CD 3.36Å; P126-L128 PolarHBondContact O-N 3.01Å
127L59Low59.5Low149 Ų149138.4 Ų138.478%0.7878%0.783SS**  trans-63.194.7155.1-69.4173.6000105.4R125 P129R125-L127 VanDerWaalsContact C-N 3.26Å; R125-L127 PolarHBondContact O-N 2.72Å; L127-P129 WeakPolarHBondContact O-CD 3.47Å
128L65.2Low59.6Low158 Ų158138.4 Ų138.483%0.82779%0.788SS**PPolyproline II helixtrans-60122.9171-82.6163000107.8P126 R130P126-L128 PolarHBondContact O-N 3.01Å; L128-R130 PolarHBondContact O-N 3Å
129P66Low59.6Low115 Ų115140.4 Ų140.475%0.74779%0.789SS**PPolyproline II helixtrans-63.1127.7175.3-16.329.3000109.1L127L127-P129 WeakPolarHBondContact O-CD 3.47Å
130R67Low59.3Low238 Ų238139.3 Ų139.390%0.89879%0.793SS**PPolyproline II helixtrans-62.8126.7167.5-134.3173.2-172.5174.40.6107.3L128L128-R130 PolarHBondContact O-N 3Å
131P67.2Low59.1Low110 Ų110139.5 Ų139.571%0.71480%0.795SS**PPolyproline II helixtrans-63.6139.817825.4-32.9000110.2L133P131-L133 PolarHBondContact O-N 3.32Å
132P66.8Low58.8Low108 Ų108140 Ų14070%0.70180%0.798SS**PPolyproline II helixtrans-65.9124.617526.3-31.5000109.6H134P132-H134 PolarHBondContact O-N 3.18Å; P132-H134 PolarHBondContact O-ND1 2.88Å
133L56.7Low59Low173 Ų173138.8 Ų138.891%0.90680%0.798SS**  trans-67.297.2173.6-155.581.8000108.1P131 Q135P131-L133 PolarHBondContact O-N 3.32Å; L133-Q135 PolarHBondContact O-N 3.47Å
134H62Low59.7Low150 Ų150140.7 Ų140.769%0.69480%0.803SS**  trans-73.5117.3171.923.5-77.3000108.1P132 L136P132-H134 PolarHBondContact O-N 3.18Å; P132-H134 PolarHBondContact O-ND1 2.88Å; H134-L136 PolarHBondContact O-N 3.34Å
135Q51.5Low59.8Low184 Ų184139.6 Ų139.686%0.8680%0.798SS**  trans-59.4110.2167.9-69.5177.2-26.700108.7L133L133-Q135 PolarHBondContact O-N 3.47Å
136L58.8Low59.3Low155 Ų155138.6 Ų138.681%0.81280%0.801SS**  trans-11192.1159.7-83158.2000106.7H134 S138H134-L136 PolarHBondContact O-N 3.34Å; L136-S138 PolarHBondContact O-N 3.42Å
137S49.8Very low59.3Low113 Ų113141 Ų14179%0.7980%0.801SS**  trans-55.8119.4154.6-52.50000107.9
138S59Low58.8Low118 Ų118144.2 Ų144.283%0.82580%0.804SS**  trans-154.7136.3148.4-127.60000109.2L136L136-S138 PolarHBondContact O-N 3.42Å
139D54.3Low58.6Low161 Ų161142.4 Ų142.486%0.86179%0.792SS**  trans-52.4148.6-169.5-69.4-64.6000116.1
140G49.4Very low58Low77 Ų77141.7 Ų141.779%0.79478%0.782SS**  trans83.4100.2131.400000117.7
141A56.9Low57.8Low96 Ų96137.7 Ų137.779%0.79377%0.773SS**  169.8139.2117.800000111.2
142P59.5Low57.3Low128 Ų128141.4 Ų141.483%0.83178%0.778SS**PPolyproline II helixtrans-77.1149.2179.731.7-33.6000112.8
143A58.3Low56.6Low93 Ų93144 Ų14477%0.76978%0.781SS**PPolyproline II helixtrans-52.9146.6-177.300000115
144P65.6Low56.1Low125 Ų125146.9 Ų146.981%0.81278%0.78SS**PPolyproline II helixtrans-84.8127.4157.631.6-28.7000110.9
145D56.5Low55.7Low142 Ų142151.7 Ų151.776%0.75979%0.792SS**PPolyproline II helixtrans-50.6140.2175.9-131.5-31.1000113.8H147D145-H147 PolarHBondContact O-N 2.71Å
146F57Low55.3Low202 Ų202151 Ų15189%0.88679%0.793SS**  trans-73.884.4172.7-79.5-90.2000110.2Y148F146-Y148 PolarHBondContact O-N 3.32Å; F146-Y148 VanDerWaalsContact O-N 3.15Å
147H58.8Low55.3Low165 Ų165150.5 Ų150.576%0.76479%0.791SS**  trans-83.283.2167.2-11073.7000110.6D145 H149D145-H147 PolarHBondContact O-N 2.71Å; H147-H149 VanDerWaalsContact C-N 3.25Å; H147-H149 PolarHBondContact O-N 2.97Å
148Y47.9Very low55.6Low217 Ų217150.6 Ų150.685%0.85179%0.789SS**  trans-71.782.9166.5-153.1-89.2000108.7F146 N150F146-Y148 PolarHBondContact O-N 3.32Å; F146-Y148 VanDerWaalsContact O-N 3.15Å; Y148-N150 PolarHBondContact O-N 3.42Å; Y148-N150 VanDerWaalsContact O-N 3.09Å
149H60.8Low55.7Low121 Ų121153.1 Ų153.156%0.5679%0.787SS**  trans-79.495.7176.7-17058000109.9H147 Q151H147-H149 VanDerWaalsContact C-N 3.25Å; H147-H149 PolarHBondContact O-N 2.97Å; H149-Q151 WeakPolarHBondContact CD2-CG 3.23Å; H149-Q151 WeakPolarHBondContact NE2-CG 2.94Å; H149-Q151 PolarHBondContact O-N 3.43Å; H149-Q151 VanDerWaalsContact O-N 3.1Å
150N54.5Low55.7Low100 Ų100150.7 Ų150.754%0.53578%0.781SS.*  trans-68.196.5169.4-173.7-14000109.8Y148 F152Y148-N150 PolarHBondContact O-N 3.42Å; Y148-N150 VanDerWaalsContact O-N 3.09Å; N150-F152 PolarHBondContact O-N 3.34Å; N150-F152 WeakPolarHBondContact OD1-CD2 2.99Å; N150-F152 PolarHBondContact OD1-N 2.95Å
151Q61.5Low55.9Low153 Ų153153 Ų15372%0.71578%0.78SS**  trans-81.939.1174.8-78.4-158.2-1.700114.3H149 Q153H149-Q151 WeakPolarHBondContact CD2-CG 3.23Å; H149-Q151 WeakPolarHBondContact NE2-CG 2.94Å; H149-Q151 PolarHBondContact O-N 3.43Å; H149-Q151 VanDerWaalsContact O-N 3.1Å; Q151-Q153 PolarHBondContact O-N 3.03Å
152F57.3Low56.4Low189 Ų189154.2 Ų154.283%0.82978%0.779SS**  trans-77.459.7162.3-74.4-61.3000111.2N150 R154N150-F152 PolarHBondContact O-N 3.34Å; N150-F152 WeakPolarHBondContact OD1-CD2 2.99Å; N150-F152 PolarHBondContact OD1-N 2.95Å; F152-R154 PolarHBondContact O-N 3.2Å
153Q53.1Low56.5Low162 Ų162154.2 Ų154.276%0.75778%0.777SS**  trans-9197.1166.5-71.3-167.75.700109.9Q151Q151-Q153 PolarHBondContact O-N 3.03Å
154R46.2Very low56.1Low234 Ų234157.8 Ų157.888%0.88378%0.782SS**  18.8112.2129.4-62.7-169.3152.6-135.3-8.1115.8F152F152-R154 PolarHBondContact O-N 3.2Å
155R52.1Low55.3Low250 Ų250162.9 Ų162.994%0.94379%0.787SS**  -168135.8115.7-102.3163.9-169-1674.1111.4
156L44.9Very low55.2Low169 Ų169166 Ų16689%0.88579%0.789SS**  trans-64.3127.1179.2-57.3159.8000109
157L58.9Low55.1Low146 Ų146160.3 Ų160.376%0.76478%0.78SS**  trans-155.8124.6152.4-142.670.4000110.6
158P55.2Low54.8Low115 Ų115159 Ų15975%0.74778%0.778SS**PPolyproline II helixtrans-76.8125.4173.730-28.4000108.9
159Q61.7Low55.4Low170 Ų170154.6 Ų154.679%0.79477%0.774SS**PPolyproline II helixtrans-86.8128.8173.5-69.9-7222.300110.2
160P52.6Low54.8Low111 Ų111153.7 Ų153.772%0.72179%0.788SS**PPolyproline II helixtrans-79.5144.8176.232.1-32.1000111.7
161T55Low55.1Low126 Ų126155 Ų15577%0.77380%0.8SS**PPolyproline II helixtrans-65.4135.1174.946.70000112.1
162P66.4Low54.3Low121 Ų121152.7 Ų152.779%0.78681%0.807SS**PPolyproline II helixtrans-78.6121165.529.6-30.5000111
163T62.2Low54.2Low128 Ų128148.8 Ų148.879%0.78580%0.803SS**PPolyproline II helixtrans-62.7130.3168.5-53.90000110.5
164L49Very low54.1Low167 Ų167147.5 Ų147.587%0.87481%0.806SS**PPolyproline II helixtrans-72.8124.7175.4-71.1172.4000111
165Y50.5Low54.7Low232 Ų232142.9 Ų142.991%0.9180%0.804SS**  trans-107.5107160.3-113.4-92.5000107.4
166Y53.8Low55.3Low207 Ų207137 Ų13781%0.81280%0.796SS**  trans-99.1102.6171-161.9-94.7000108.4N168Y166-N168 HydrophobicContact CD1-CB 4.42Å; Y166-N168 HydrophobicContact CE1-CB 4.4Å
167A54.1Low56.3Low83 Ų83135.3 Ų135.369%0.68679%0.793SS**  trans-83.6111.8166.500000108.2T169A167-T169 PolarHBondContact O-N 3.39Å
168N53.6Low56.7Low137 Ų137133.4 Ų133.473%0.73379%0.791SS**  trans-81.793.7174.348.3-23.9000110.2Y166Y166-N168 HydrophobicContact CD1-CB 4.42Å; Y166-N168 HydrophobicContact CE1-CB 4.4Å
169T60.7Low57.3Low125 Ų125134 Ų13477%0.76779%0.793SS**  trans-90.9103162.654.90000109.4A167 T171A167-T169 PolarHBondContact O-N 3.39Å; T169-T171 PolarHBondContact O-N 3.18Å
170A48.2Very low57.5Low103 Ų103132 Ų13285%0.85180%0.795SS**  trans-63.1120.5170.600000110.3
171T60.5Low57.9Low127 Ų127132.9 Ų132.978%0.77980%0.798SS**  trans-128.1100159.811.10000107.6T169 S173T169-T171 PolarHBondContact O-N 3.18Å; T171-S173 PolarHBondContact O-N 3.37Å
172A44.9Very low58.2Low104 Ų104138.3 Ų138.386%0.8680%0.804SS**  trans-64.3122.1173.400000109.2
173S53.8Low58.1Low108 Ų108138.4 Ų138.476%0.75580%0.802SS**  trans-119.2109.7167.7-65.50000107.8T171 V175T171-S173 PolarHBondContact O-N 3.37Å; S173-V175 PolarHBondContact O-N 3.38Å
174T52.9Low57.5Low135 Ų135136.8 Ų136.883%0.82880%0.802SS**  trans-70.8114.4173.243.20000109.5
175V58.6Low58.5Low136 Ų136135.1 Ų135.182%0.82480%0.799SS**  trans-97.7104.9166.8171.90000108.4S173 T177S173-V175 PolarHBondContact O-N 3.38Å; V175-T177 PolarHBondContact O-N 3.36Å
176T64.2Low58.7Low126 Ų126129.6 Ų129.677%0.77379%0.791SS**PPolyproline II helixtrans-65.9116.9167.7-62.90000109.2
177T65.2Low58.2Low134 Ų134128.6 Ų128.682%0.82279%0.794SS**PPolyproline II helixtrans-85.2120.7168.4-154.30000108.8V175V175-T177 PolarHBondContact O-N 3.36Å
178S67.3Low58.6Low106 Ų106133.6 Ų133.674%0.74180%0.803SS**PPolyproline II helixtrans-86129.417748.40000110
179V68.8Low58.8Low129 Ų129132.2 Ų132.278%0.78280%0.802SS**PPolyproline II helixtrans-69.7137.9171.5-82.60000110.9T181V179-T181 PolarHBondContact O-N 3.15Å
180P64.9Low58.6Low127 Ų127130.3 Ų130.383%0.82580%0.798SS**PPolyproline II helixtrans-79.3117.4171.829.7-30.7000110.9R182P180-R182 PolarHBondContact O-N 2.96Å
181T60.8Low59.1Low129 Ų129133.1 Ų133.179%0.79180%0.798SS**  trans-58.7115167.9-63.90000110.7V179 V183V179-T181 PolarHBondContact O-N 3.15Å; T181-V183 PolarHBondContact O-N 3.09Å
182R62.5Low59Low240 Ų240131.3 Ų131.391%0.90680%0.795SS**  trans-78.3115.9166.3-172.6-178.8-179.6-172.30.6108.6P180 A184P180-R182 PolarHBondContact O-N 2.96Å; R182-A184 PolarHBondContact O-N 2.95Å
183V62.7Low59.7Low123 Ų123132 Ų13275%0.74579%0.791SS**  trans-61.1127.5175173.30000110.1T181T181-V183 PolarHBondContact O-N 3.09Å
184A50.2Low59.4Low94 Ų94131 Ų13178%0.77779%0.79SS**  trans-71.7133.5175.100000111R182R182-A184 PolarHBondContact O-N 2.95Å
185V70.9Confident59.7Low133 Ų133131.6 Ų131.681%0.80679%0.793SS**  trans-104.5134.4168.9176.70000107.5
186P53.3Low59.4Low116 Ų116128.5 Ų128.575%0.75379%0.788SS**  trans-81.8124-173.831.1-31.7000113
187Q43.7Very low59.3Low186 Ų186128.7 Ų128.787%0.86980%0.795SS**  28.7116.2129.6-153.7175.826.900119.7
188E63.6Low58.7Low187 Ų187127.7 Ų127.787%0.87479%0.793SS**  trans-133.4134.9149.5-167.5-172.4128.900108.8
189P57.9Low58.3Low109 Ų109129.1 Ų129.171%0.70880%0.798SS**  trans-111.4133.5-176.836.2-24.4000113.1
190A55.6Low58Low84 Ų84127.9 Ų127.969%0.69480%0.795SS**  trans-175.7121154.100000115.2
191I58.4Low57.2Low163 Ų163129.7 Ų129.784%0.83680%0.796SS**  trans85.488139-49.8161.2000119
192A59.1Low56.9Low89 Ų89132.2 Ų132.274%0.73680%0.8SS**  18.6174.5127.400000122.9
193P58.9Low56.1Low117 Ų117128.9 Ų128.976%0.7679%0.794SS**  -136.5171-58.639.6-23.4000114.6
194A49.1Very low55.7Low89 Ų89128.3 Ų128.374%0.73679%0.793SS**  trans65.7120.9146.300000121.6
195V59Low55.5Low147 Ų147131.9 Ų131.989%0.89179%0.794SS**  175.2122.9112.3-82.70000108.9
196G51.6Low54.2Low71 Ų71132 Ų13273%0.73279%0.794SS**  71.5123.5107.400000112.9
197S61.5Low54.5Low129 Ų129130.2 Ų130.290%0.90280%0.797SS**  cis-172.3164.745-77.10000112.1
198S53.5Low54.8Low114 Ų114128 Ų12880%0.79780%0.796SS**  trans-68.2-175.8-175.4-158.50000116.1
199T57.8Low54.5Low136 Ų136125 Ų12583%0.83479%0.793SS**  trans116.9128.9161.2-47.70000111.9
200S62.8Low54.3Low103 Ų103128.6 Ų128.672%0.7280%0.8SS**  cis-166.1144.5-3.5177.30000108.1
201L49.1Very low53.8Low164 Ų164133 Ų13386%0.85981%0.806SS**  trans-73.8140.8166.3-78.5159.4000110.6
202Q53.5Low53.3Low183 Ų183128.6 Ų128.686%0.85579%0.794SS**  trans-158.8110.8152.8-159.5102.337.100110.5
203E45.5Very low52.8Low170 Ų170136.4 Ų136.479%0.79481%0.805SS**  trans-108.3146.4164-175.6177.4102.900107.8
204P55.4Low52.4Low110 Ų110134 Ų13471%0.71480%0.801SS**  trans-137119.5149.232.3-15.9000114.1
205Q45.9Very low52.4Low170 Ų170139.1 Ų139.179%0.79481%0.809SS**  54.2132.6118.4-58-62.7-28.500121.9
206V43.9Very low52.2Low136 Ų136136.7 Ų136.782%0.82481%0.805SS**  trans-67.3147.6175.6138.90000114
207G58.5Low51.5Low78 Ų78136.6 Ų136.680%0.80480%0.804SS**  trans-155124.6164.700000111.8
208T51.2Low50.7Low139 Ų139141.3 Ų141.385%0.85380%0.802SS**  trans-86174.6-170.914.60000114.2
209P56.7Low50.5Low124 Ų124143.6 Ų143.681%0.80581%0.805SS**  trans-104.2169.5-146.741.4-37.6000116
210E54.4Low49.8Very low184 Ų184147.5 Ų147.586%0.8681%0.806SS**  trans-146.2116.4165.4-163.2-160.2141.600113.1
211E44.6Very low49Very low177 Ų177150 Ų15083%0.82781%0.811SS**  trans20.2129.1137.6-138.2170.911300122.4
212A48.2Very low48.6Very low71 Ų71146.1 Ų146.159%0.58781%0.811SS**  139.7135106.500000115.2
213R48.6Very low48Very low253 Ų253140.3 Ų140.396%0.95580%0.801SS**  trans82.3126.4160.1-55.6171.3173.9144.10.5116.2
214G48.7Very low48.2Very low65 Ų65141.1 Ų141.167%0.6781%0.805SS**  cis169151.33.500000109.8
215E49.5Very low48Very low197 Ų197144.9 Ų144.992%0.92181%0.812SS**  trans73142.7148-52.7-71.2140.300122
216A54.4Low48.4Very low96 Ų96145.7 Ų145.779%0.79382%0.816SS**  trans80.4107.2176.100000116.3
217G37.4Very low48.7Very low69 Ų69146.2 Ų146.271%0.71182%0.815SS**  cis115.4732600000109.7
218W45.9Very low48Very low229 Ų229153.2 Ų153.287%0.86782%0.818SS**  trans-136.689.5167.8-63.6102.6000108.7Y220W218-Y220 PolarHBondContact O-N 3.1Å
219D48.8Very low47.8Very low161 Ų161151.1 Ų151.186%0.86182%0.815SS**  trans-63.7108166.5-89.2-61.5000109.4
220Y43.1Very low47.4Very low219 Ų219149.2 Ų149.286%0.85981%0.81SS**  trans-95.3110.5165.3-99.8-91.3000108.4W218W218-Y220 PolarHBondContact O-N 3.1Å
221N45.9Very low47.1Very low154 Ų154144.5 Ų144.582%0.82480%0.802SS**  trans-112.6117.3170.2-114.6-50.2000109.2
222G39.9Very low47.3Very low83 Ų83144.3 Ų144.386%0.85681%0.806SS**  trans83.6113.6147.900000118
223G40.7Very low47.1Very low62 Ų62147 Ų14764%0.63981%0.81SS**  trans151.185.4157.200000113.7
224E49.8Very low46.8Very low187 Ų187146.5 Ų146.587%0.87481%0.808SS**  trans42.384.414864.2-153.9139.400118.9E226E224-E226 PolarHBondContact O-N 3.27Å
225E51.4Low46.6Very low188 Ų188151 Ų15188%0.87982%0.817SS**SBend21.280.3127.4-162171.1-159.300117.9
226E53.9Low46.8Very low187 Ų187149.1 Ų149.187%0.87481%0.808SS**  trans-163-8.3157.5-107160.7-136.600115.4E224 Y228E224-E226 PolarHBondContact O-N 3.27Å; E226-Y228 PolarHBondContact O-N 3.22Å
227D50.3Low46.7Very low148 Ų148149.9 Ų149.979%0.79181%0.805SS**THydrogen-bonded Turntrans-89.68.5-170.6-85.3-45.1000117.1
228Y45.6Very low47.3Very low224 Ų224154.4 Ų154.488%0.87881%0.808SS**THydrogen-bonded Turntrans-103.95.4-170.9-72.2-81.7000116.8E226E226-Y228 PolarHBondContact O-N 3.22Å
229A45.9Very low47.8Very low96 Ų96149.3 Ų149.379%0.79380%0.804SS**SBendtrans-95.21.417200000114.2
230A48.8Very low47.6Very low83 Ų83149.8 Ų149.869%0.68680%0.799SS**SBendtrans-95.15.1-173.500000115.2
231A46.8Very low47.7Very low85 Ų85147.5 Ų147.570%0.70279%0.794SS**SBendtrans-119.93.9-169.200000116.2
232L48.9Very low47.7Very low174 Ų174151.2 Ų151.291%0.91180%0.796SS**SBendtrans-132.623.7-178.4-79.7170.2000115.1
233L45.5Very low47.6Very low128 Ų128157.1 Ų157.167%0.6780%0.799SS**  trans-126.359.6176.2-163.569.8000111.4
234W42.6Very low48Very low242 Ų242160.9 Ų160.992%0.91780%0.804SS**  trans-119.434.4172.4-8277.5000111.9
235D44.5Very low48.4Very low158 Ų158156.8 Ų156.885%0.84579%0.792SS**  trans-137.959.7172.3-151.526.8000109.7
236E53.3Low48Very low158 Ų158157 Ų15774%0.73879%0.79SS**  trans-101.2126165.3-81.2-143156.300110.3
237P52.1Low47.8Very low113 Ų113156.2 Ų156.273%0.73479%0.791SS**  trans-71.3138.6-175.130.2-34.2000111.1P239P237-P239 WeakPolarHBondContact O-CD 3.25Å
238E49.3Very low47.8Very low164 Ų164162.7 Ų162.777%0.76681%0.812SS**  trans-20.5107.3168.8-65-81.8155.200114.6F240E238-F240 VanDerWaalsContact C-N 3.26Å; E238-F240 WeakPolarHBondContact O-CD2 3.4Å; E238-F240 PolarHBondContact O-N 3.46Å
239P57.1Low47.9Very low122 Ų122159.7 Ų159.779%0.79281%0.809SS**  trans-7987.6164.330.7-30000108.6P237 F241P237-P239 WeakPolarHBondContact O-CD 3.25Å; P239-F241 PolarHBondContact O-N 2.9Å
240F44.4Very low48Very low170 Ų170163 Ų16375%0.74681%0.81SS**  trans-24.9127.6140.4-79.8-80.9000112.4E238E238-F240 VanDerWaalsContact C-N 3.26Å; E238-F240 WeakPolarHBondContact O-CD2 3.4Å; E238-F240 PolarHBondContact O-N 3.46Å
241F45.6Very low48Very low171 Ų171167.4 Ų167.475%0.7582%0.817SS**  trans60.7104.5161.4-67.3-89000118.9P239P239-F241 PolarHBondContact O-N 2.9Å
242W45.1Very low48.1Very low233 Ų233172.3 Ų172.388%0.88382%0.823SS**  trans-130.775.8142-120.160.5000109.9V245W242-V245 HydrophobicContact CE3-CG2 4.21Å; W242-V245 HydrophobicContact CH2-CG2 3.93Å; W242-V245 HydrophobicContact CZ3-CG2 3.54Å
243F38.4Very low48Very low206 Ų206172.2 Ų172.290%0.90482%0.818SS**  trans-10499.6151.8-97-89.3000105.6
244D49.4Very low48.2Very low141 Ų141175.1 Ų175.175%0.75483%0.828SS**  trans178.387.2132.3-138.1-19.3000110.5
245V57.7Low48.6Very low101 Ų101170.4 Ų170.461%0.61282%0.821SS**  trans-152.488161.7-1790000107W242W242-V245 HydrophobicContact CE3-CG2 4.21Å; W242-V245 HydrophobicContact CH2-CG2 3.93Å; W242-V245 HydrophobicContact CZ3-CG2 3.54Å
246F43Very low48.9Very low192 Ų192171.3 Ų171.384%0.84282%0.82SS**SBendtrans160.380.1136.5-131.7-99.4000110.3
247L50.2Low48.5Very low171 Ų171172.4 Ų172.490%0.89583%0.826SS**  trans-163.168161.5-131.486.6000111.9
248K50.2Low48.2Very low285 Ų285177.8 Ų177.8100%1.23984%0.835SS**  trans-163.70155.7-159.190.6169.9-177.10109.5

Retrieved 248 of 248 residues in 49.3 ms (Link to these results)