A0A674AGA0_SALTR Loading...

Heterogeneous nuclear ribonucleoprotein D-like

AlphaFold DB , UniProt , Accession A0A674AGA0, Species SALTR (Salmo trutta, Brown trout), Gene HNRNPDL, Length 301 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
1M46.9Very low38.4Very low242 Ų242157 Ų157100%1.19285%0.852SS**  090.90-80.7177.2173.500106.3
2E37.3Very low38.6Very low193 Ų193154.6 Ų154.690%0.90284%0.838SS**  trans-138.2111.2165.6-71.2-175.812900105.9
3T39.5Very low39Very low143 Ų143157.8 Ų157.888%0.87784%0.844SS**  trans-76.2114.9177.934.60000108.7
4E43.3Very low39.5Very low194 Ų194155 Ų15591%0.90782%0.821SS**PPolyproline II helixtrans-80.5122.7169.8-67.3-165154.900109.8
5G38.7Very low40.5Very low68 Ų68150.9 Ų150.970%0.70181%0.807SS**PPolyproline II helixtrans-66.4132.8-172.100000113V7G5-V7 PolarHBondContact O-N 3.15Å
6Q37.1Very low41.4Very low194 Ų194149.9 Ų149.991%0.90780%0.796SS**PPolyproline II helixtrans-56.7117.9163.5-163.5166.31800108.8D8Q6-D8 PolarHBondContact O-N 3.18Å; Q6-D8 VanDerWaalsContact O-N 3.09Å
7V37.3Very low42.3Very low121 Ų121141.1 Ų141.173%0.73375%0.75SS**  trans-75.599.1175.8-158.20000107G5 F9G5-V7 PolarHBondContact O-N 3.15Å; V7-F9 PolarHBondContact O-N 3.43Å
8D35.1Very low43.3Very low147 Ų147135.7 Ų135.779%0.78673%0.725SS**  trans-69.7105.3175.5-142.1-5.4000107.7Q6 S10Q6-D8 PolarHBondContact O-N 3.18Å; Q6-D8 VanDerWaalsContact O-N 3.09Å; D8-S10 PolarHBondContact O-N 3.32Å
9F33.9Very low44.2Very low188 Ų188132.9 Ų132.983%0.82571%0.706SS**  trans-70.488.1171.4-89.6-89.6000107.5V7 T11V7-F9 PolarHBondContact O-N 3.43Å; F9-T11 PolarHBondContact O-N 3.03Å; F9-T11 VanDerWaalsContact O-N 3.11Å
10S34.2Very low45.2Very low104 Ų104126.4 Ų126.473%0.72767%0.671SS**  trans-48.8114.917019.90000109.1D8 D12D8-S10 PolarHBondContact O-N 3.32Å; S10-D12 PolarHBondContact O-N 3.46Å
11T38.8Very low46Very low133 Ų133124.1 Ų124.182%0.81666%0.659SS**  trans-52.299.9168.1-40.50000108.6F9 E13F9-T11 PolarHBondContact O-N 3.03Å; F9-T11 VanDerWaalsContact O-N 3.11Å; T11-E13 PolarHBondContact O-N 3.5Å
12D40.7Very low46.5Very low128 Ų128116.3 Ų116.368%0.68463%0.633SS**  trans-51.6114.8168.2-88.3-50.7000108.6S10 F14S10-D12 PolarHBondContact O-N 3.46Å; D12-F14 HydrophobicContact CB-CD2 3.95Å; D12-F14 HydrophobicContact CB-CE2 3.52Å; D12-F14 HydrophobicContact CB-CZ 4.25Å; D12-F14 VanDerWaalsContact O-CD2 3.3Å; D12-F14 WeakPolarHBondContact O-CD2 3.46Å; D12-F14 PolarHBondContact O-N 3.47Å
13E44.1Very low47.5Very low196 Ų196107.7 Ų107.792%0.91659%0.594SS**  trans-64.279.2172.2-78-173.2115.400109.7T11T11-E13 PolarHBondContact O-N 3.5Å
14F46.9Very low48.3Very low119 Ų119105.9 Ų105.952%0.52257%0.574SS.*PPolyproline II helixtrans-71.6134.2160.4-68.5-81.5000108.3D12 E16D12-F14 HydrophobicContact CB-CD2 3.95Å; D12-F14 HydrophobicContact CB-CE2 3.52Å; D12-F14 HydrophobicContact CB-CZ 4.25Å; D12-F14 VanDerWaalsContact O-CD2 3.3Å; D12-F14 WeakPolarHBondContact O-CD2 3.46Å; D12-F14 PolarHBondContact O-N 3.47Å; F14-E16 PolarHBondContact O-N 3.03Å
15P53.2Low48.8Very low94 Ų94101.5 Ų101.561%0.6156%0.557SS**PPolyproline II helixtrans-53.4134.6177.95.8-12.8000110.4G17 S18P15-G17 PolarHBondContact O-N 3.12Å; P15-S18 WeakPolarHBondContact CB-OG 3.46Å; P15-S18 WeakPolarHBondContact CG-OG 3.26Å; P15-S18 WeakPolarHBondContact O-CB 3.38Å; P15-S18 PolarHBondContact O-N 3.24Å; P15-S18 PolarHBondContact O-OG 3.35Å
16E55.4Low49.8Very low134 Ų134105 Ų10563%0.62656%0.555SS**THydrogen-bonded Turntrans-52.7131.1-171.3-170.7170.6-170.200113.1F14 S18 K43F14-E16 PolarHBondContact O-N 3.03Å; E16-S18 PolarHBondContact O-N 3.22Å; E16-K43 VanDerWaalsContact CD-NZ 3.27Å; E16-K43 WeakPolarHBondContact OE1-CD 3.49Å; E16-K43 WeakPolarHBondContact OE1-CE 3.47Å; E16-K43 IonicContact OE1-NZ 2.63Å; E16-K43 PolarHBondContact OE1-NZ 3.34Å
17G57.2Low50.9Low1 Ų1103 Ų1031%0.0155%0.546CS..THydrogen-bonded Turntrans75.12.6-176.300000115P15 I20 N21 D58 T60P15-G17 PolarHBondContact O-N 3.12Å; G17-I20 PolarHBondContact O-N 3.5Å; G17-N21 WeakPolarHBondContact O-CB 3.48Å; G17-N21 PolarHBondContact O-N 3.32Å; G17-N21 PolarHBondContact O-ND2 2.57Å; G17-D58 VanDerWaalsContact C-OD2 3.29Å; G17-D58 WeakPolarHBondContact CA-OD1 3.42Å; G17-D58 WeakPolarHBondContact CA-OD2 3.42Å; G17-D58 PolarHBondContact N-OD1 3.08Å; G17-D58 VanDerWaalsContact N-OD1 3.08Å; G17-D58 PolarHBondContact N-OD2 2.81Å; G17-T60 WeakPolarHBondContact CA-OG1 3.34Å
18S59.2Low52.7Low44 Ų4499.7 Ų99.731%0.30852%0.524SS..Hα-helixtrans-66.1-36.9-179.3-64.90000112.5P15 E16 N21 A22P15-S18 WeakPolarHBondContact CB-OG 3.46Å; P15-S18 WeakPolarHBondContact CG-OG 3.26Å; P15-S18 WeakPolarHBondContact O-CB 3.38Å; P15-S18 PolarHBondContact O-N 3.24Å; P15-S18 PolarHBondContact O-OG 3.35Å; E16-S18 PolarHBondContact O-N 3.22Å; S18-N21 PolarHBondContact O-N 2.92Å; S18-A22 WeakPolarHBondContact O-CB 3.49Å; S18-A22 PolarHBondContact O-N 2.83Å
19K61.8Low54.7Low82 Ų8297.2 Ų97.236%0.35751%0.51SS..Hα-helixtrans-72.5-40.9177.9-66.2-177.4-178.8175.50110.5N21 A22 S23 D58 L77K19-N21 PolarHBondContact O-N 3.12Å; K19-A22 PolarHBondContact O-N 2.87Å; K19-S23 PolarHBondContact O-N 3Å; K19-S23 PolarHBondContact O-OG 3.42Å; K19-D58 HydrophobicContact CB-CB 4.35Å; K19-D58 PolarHBondContact N-OD2 3.32Å; K19-L77 HydrophobicContact CB-CD2 3.82Å
20I64.6Low57Low3 Ų388.5 Ų88.52%0.01547%0.474CS..Hα-helixtrans-65.1-36.9173.9-71.6168.8000112.4G17 K24 K31 D58 F75 L77G17-I20 PolarHBondContact O-N 3.5Å; I20-K24 PolarHBondContact O-N 3.41Å; I20-K31 PolarHBondContact O-NZ 3.33Å; I20-D58 HydrophobicContact CD1-CB 3.81Å; I20-D58 HydrophobicContact CG1-CB 3.94Å; I20-D58 WeakPolarHBondContact CG1-OD2 3.4Å; I20-D58 PolarHBondContact N-OD2 3.4Å; I20-D58 VanDerWaalsContact N-OD2 3.13Å; I20-F75 HydrophobicContact CD1-CB 4.42Å; I20-F75 HydrophobicContact CG2-CB 3.9Å; I20-L77 HydrophobicContact CD1-CB 4.32Å; I20-L77 HydrophobicContact CG1-CB 3.89Å
21N60.6Low59.5Low79 Ų7984.2 Ų84.242%0.42244%0.442SS..Hα-helixtrans-76.1-35176.7-72.9-36.2000111.6G17 S18 K19 K24G17-N21 WeakPolarHBondContact O-CB 3.48Å; G17-N21 PolarHBondContact O-N 3.32Å; G17-N21 PolarHBondContact O-ND2 2.57Å; S18-N21 PolarHBondContact O-N 2.92Å; K19-N21 PolarHBondContact O-N 3.12Å; N21-K24 WeakPolarHBondContact O-CB 3.48Å; N21-K24 PolarHBondContact O-N 3.1Å
22A58Low61.9Low78 Ų7877.9 Ų77.965%0.64540%0.403SS*.Hα-helixtrans-64.3-41.7173.200000111.4S18 K19 K24S18-A22 WeakPolarHBondContact O-CB 3.49Å; S18-A22 PolarHBondContact O-N 2.83Å; K19-A22 PolarHBondContact O-N 2.87Å; A22-K24 PolarHBondContact O-N 3.14Å
23S58Low64.2Low11 Ų1174.6 Ų74.68%0.07738%0.383CS..THydrogen-bonded Turntrans-85.419.2173.971.90000113.6K19 N25 Q26 K31K19-S23 PolarHBondContact O-N 3Å; K19-S23 PolarHBondContact O-OG 3.42Å; S23-N25 VanDerWaalsContact C-N 3.25Å; S23-N25 PolarHBondContact O-N 2.85Å; S23-Q26 VanDerWaalsContact O-O 3.08Å; S23-K31 VanDerWaalsContact C-NZ 3.32Å; S23-K31 PolarHBondContact O-NZ 3.37Å; S23-K31 PolarHBondContact OG-NZ 3.4Å
24K56.8Low66.5Low105 Ų10565.2 Ų65.246%0.45734%0.339SS..THydrogen-bonded Turntrans-66.3-30.4-178.7-170.5176.9180-174.10112.7I20 N21 A22I20-K24 PolarHBondContact O-N 3.41Å; N21-K24 WeakPolarHBondContact O-CB 3.48Å; N21-K24 PolarHBondContact O-N 3.1Å; A22-K24 PolarHBondContact O-N 3.14Å
25N53.8Low68.5Low102 Ų10259.9 Ų59.955%0.54532%0.318SS..SBendtrans-105.8-3.5-177.4-64.1-16.1000113.6S23S23-N25 VanDerWaalsContact C-N 3.25Å; S23-N25 PolarHBondContact O-N 2.85Å
26Q60.4Low70.2Confident141 Ų14157.3 Ų57.366%0.65931%0.308SS*.SBendtrans-109.3142.1177.7-67.7-178.318.400109.3S23 D28S23-Q26 VanDerWaalsContact O-O 3.08Å; Q26-D28 PolarHBondContact O-N 3.22Å
27Q58.5Low71.9Confident154 Ų15451.1 Ų51.172%0.7228%0.279SS*.  trans-73.1115.5170.3-170.11654.500107.3A107Q27-A107 HydrophobicContact CB-CB 4.26Å
28D74.8Confident73.4Confident51 Ų5151.6 Ų51.627%0.27328%0.282SS..  trans-118.8110.2-179.2-175.9-22.4000106.7Q26 G30 K31 L77Q26-D28 PolarHBondContact O-N 3.22Å; D28-G30 PolarHBondContact O-N 3.37Å; D28-G30 PolarHBondContact OD1-N 3.43Å; D28-K31 HydrophobicContact CB-CB 3.91Å; D28-K31 VanDerWaalsContact O-CB 3.26Å; D28-K31 WeakPolarHBondContact O-CB 3.28Å; D28-K31 PolarHBondContact O-N 2.8Å; D28-L77 VanDerWaalsContact OD2-CD1 3.26Å; D28-L77 WeakPolarHBondContact OD2-CD1 3.35Å
29D78.3Confident74.8Confident94 Ų9455.7 Ų55.750%0.50329%0.291SS..THydrogen-bonded Turntrans-69.5-15.2-175.6-68.8-29000112.5K31D29-K31 VanDerWaalsContact C-N 3.32Å
30G81.9Confident75.9Confident6 Ų658.4 Ų58.46%0.06231%0.31CS..THydrogen-bonded Turntrans-81.8-9.7169.200000113.4D28 F78D28-G30 PolarHBondContact O-N 3.37Å; D28-G30 PolarHBondContact OD1-N 3.43Å; G30-F78 PolarHBondContact O-N 3.13Å
31K86.3Confident77Confident14 Ų1458.6 Ų58.66%0.06131%0.311CS..EExtended strand (participates in β ladder)trans-91.6132.5-177.7-165.7-175.2-168.8149.90111.7I20 S23 D28 D29 V76 L77 A105I20-K31 PolarHBondContact O-NZ 3.33Å; S23-K31 VanDerWaalsContact C-NZ 3.32Å; S23-K31 PolarHBondContact O-NZ 3.37Å; S23-K31 PolarHBondContact OG-NZ 3.4Å; D28-K31 HydrophobicContact CB-CB 3.91Å; D28-K31 VanDerWaalsContact O-CB 3.26Å; D28-K31 WeakPolarHBondContact O-CB 3.28Å; D28-K31 PolarHBondContact O-N 2.8Å; D29-K31 VanDerWaalsContact C-N 3.32Å; K31-V76 CarbonylContact C-O 3.55Å; K31-V76 WeakPolarHBondContact CA-O 3.29Å; K31-L77 HydrophobicContact CB-CD1 4.08Å; K31-A105 HydrophobicContact CB-CB 3.84Å; K31-A105 HydrophobicContact CD-CB 3.81Å; K31-A105 HydrophobicContact CG-CB 3.52Å; K31-A105 WeakPolarHBondContact O-CB 3.5Å; K31-A105 PolarHBondContact O-N 3Å
32M88.9Confident78.2Confident0 Ų056.8 Ų56.80%030%0.304CS..EExtended strand (participates in β ladder)trans-122.9139.5179.9-170.5172.6-86.800111.2I34 F75 V76 F78 V84 V87 L88 P102 K103M32-I34 HydrophobicContact CB-CD1 4.41Å; M32-I34 HydrophobicContact CG-CD1 3.64Å; M32-I34 HydrophobicContact SD-CD1 3.54Å; M32-I34 VanDerWaalsContact SD-CD1 3.54Å; M32-F75 CarbonylContact O-C 3.53Å; M32-F75 VanDerWaalsContact O-CA 3.3Å; M32-F75 WeakPolarHBondContact O-CA 3.48Å; M32-V76 PolarHBondContact N-O 3.05Å; M32-V76 PolarHBondContact O-N 3.14Å; M32-F78 HydrophobicContact CB-CE2 4.36Å; M32-F78 HydrophobicContact SD-CE2 4.29Å; M32-V84 HydrophobicContact CE-CB 3.85Å; M32-V84 HydrophobicContact CE-CG1 3.35Å; M32-V84 HydrophobicContact CE-CG2 4.22Å; M32-V84 WeakPolarHBondContact CE-O 3.17Å; M32-V87 HydrophobicContact CE-CB 3.72Å; M32-V87 HydrophobicContact CE-CG1 3.75Å; M32-V87 HydrophobicContact CE-CG2 4.43Å; M32-V87 HydrophobicContact SD-CB 4.08Å; M32-V87 HydrophobicContact SD-CG1 3.58Å; M32-V87 VanDerWaalsContact SD-CG1 3.58Å; M32-V87 HydrophobicContact SD-CG2 4.46Å; M32-L88 HydrophobicContact CE-CD1 4.44Å; M32-L88 HydrophobicContact CE-CD2 4.29Å; M32-L88 HydrophobicContact CE-CG 3.95Å; M32-P102 HydrophobicContact CE-CB 4.32Å; M32-P102 HydrophobicContact CG-CB 4.34Å; M32-P102 HydrophobicContact SD-CB 3.47Å; M32-P102 WeakPolarHBondContact SD-CB 3.16Å; M32-K103 VanDerWaalsContact CG-O 3.24Å; M32-K103 WeakPolarHBondContact CG-O 3.46Å
33F90.4Very high79.6Confident58 Ų5856.4 Ų56.425%0.25429%0.288SS..EExtended strand (participates in β ladder)trans-93.3130.9167.1169.2-91.4000108.6F73 F75 P102 K103F33-F73 HydrophobicContact CD2-CD2 4.36Å; F33-F73 HydrophobicContact CE2-CB 3.81Å; F33-F73 AromaticContact CE2-CD2 3.53Å; F33-F73 HydrophobicContact CE2-CD2 3.53Å; F33-F73 HydrophobicContact CE2-CE2 4.34Å; F33-F73 AromaticContact CE2-CG 3.89Å; F33-F73 HydrophobicContact CE2-CG 3.89Å; F33-F73 HydrophobicContact CZ-CB 3.79Å; F33-F73 HydrophobicContact CZ-CD2 4.31Å; F33-F73 HydrophobicContact CZ-CG 4.21Å; F33-F75 HydrophobicContact CB-CD1 4.31Å; F33-F75 HydrophobicContact CB-CE1 4.11Å; F33-F75 HydrophobicContact CD2-CD1 4.39Å; F33-F75 AromaticContact CD2-CE1 3.78Å; F33-F75 HydrophobicContact CD2-CE1 3.78Å; F33-F75 AromaticContact CD2-CZ 3.86Å; F33-F75 HydrophobicContact CD2-CZ 3.86Å; F33-F75 HydrophobicContact CG-CE1 4.45Å; F33-P102 CarbonylContact O-C 3.49Å; F33-P102 WeakPolarHBondContact O-CA 3.24Å; F33-K103 HydrophobicContact CD1-CB 4.33Å; F33-K103 PolarHBondContact N-O 3.32Å; F33-K103 PolarHBondContact O-N 2.8Å; F33-K103 VanDerWaalsContact O-O 3.1Å
34I90.8Very high81Confident0 Ų060 Ų600%031%0.31CS..EExtended strand (participates in β ladder)trans-115.1108.3176.2-45.6-65.8000108.3M32 L37 L46 L50 F73 G74 V76 I100 P102M32-I34 HydrophobicContact CB-CD1 4.41Å; M32-I34 HydrophobicContact CG-CD1 3.64Å; M32-I34 HydrophobicContact SD-CD1 3.54Å; M32-I34 VanDerWaalsContact SD-CD1 3.54Å; I34-L37 HydrophobicContact CB-CD2 4.38Å; I34-L37 HydrophobicContact CG2-CD2 3.55Å; I34-L37 HydrophobicContact CG2-CG 4.13Å; I34-L46 HydrophobicContact CG1-CD1 4.32Å; I34-L46 HydrophobicContact CG2-CD1 4.1Å; I34-L50 HydrophobicContact CD1-CD1 3.96Å; I34-L50 HydrophobicContact CD1-CD2 4.41Å; I34-L50 HydrophobicContact CG1-CD1 4.1Å; I34-F73 CarbonylContact O-C 3.54Å; I34-F73 WeakPolarHBondContact O-CA 3Å; I34-F73 WeakPolarHBondContact O-CB 3.32Å; I34-G74 PolarHBondContact N-O 3.43Å; I34-G74 PolarHBondContact O-N 3.26Å; I34-V76 HydrophobicContact CG1-CG2 3.91Å; I34-I100 HydrophobicContact CG2-CB 4.09Å; I34-I100 HydrophobicContact CG2-CD1 3.99Å; I34-I100 HydrophobicContact CG2-CG1 4.4Å; I34-P102 HydrophobicContact CD1-CB 3.77Å
35G90.7Very high82.6Confident7 Ų757.9 Ų57.97%0.07230%0.303CS..EExtended strand (participates in β ladder)trans-92.3164.8173.500000112.4L37 I100 D101G35-L37 VanDerWaalsContact C-N 3.3Å; G35-L37 PolarHBondContact O-N 3.1Å; G35-I100 CarbonylContact O-C 3.54Å; G35-I100 WeakPolarHBondContact O-CA 3.25Å; G35-D101 PolarHBondContact N-O 3.49Å; G35-D101 PolarHBondContact O-N 3.09Å
36G88.9Confident84.3Confident39 Ų3953 Ų5340%0.40228%0.277SS..SBendtrans74.915.7171.900000115G72G36-G72 PolarHBondContact N-O 2.88Å
37L89.9Confident85.6Confident4 Ų447.6 Ų47.62%0.02125%0.254CS..  trans-61148.5175.3-60.3178.8000110.6I34 G35 T41 L46 I61 G72 L95 I100I34-L37 HydrophobicContact CB-CD2 4.38Å; I34-L37 HydrophobicContact CG2-CD2 3.55Å; I34-L37 HydrophobicContact CG2-CG 4.13Å; G35-L37 VanDerWaalsContact C-N 3.3Å; G35-L37 PolarHBondContact O-N 3.1Å; L37-T41 HydrophobicContact CD2-CG2 4.31Å; L37-L46 HydrophobicContact CD1-CD2 3.97Å; L37-L46 HydrophobicContact CD2-CD1 3.83Å; L37-I61 HydrophobicContact CD1-CG1 4.36Å; L37-G72 PolarHBondContact N-O 2.63Å; L37-G72 WeakPolarHBondContact O-CA 3.21Å; L37-L95 HydrophobicContact CD2-CD2 4.16Å; L37-I100 HydrophobicContact CD2-CB 4.47Å; L37-I100 HydrophobicContact CD2-CG2 3.84Å
38S89.2Confident87.1Confident11 Ų1145.3 Ų45.38%0.07725%0.247CC..  trans-67.3157.2169.3-157.60000110.6D40 T41 K98S38-D40 PolarHBondContact O-N 3.08Å; S38-T41 WeakPolarHBondContact CA-OG1 3.25Å; S38-T41 WeakPolarHBondContact CB-OG1 3.35Å; S38-T41 PolarHBondContact N-OG1 3.17Å; S38-T41 WeakPolarHBondContact O-CB 3.4Å; S38-T41 PolarHBondContact O-N 3.11Å; S38-T41 PolarHBondContact O-OG1 3.31Å; S38-K98 PolarHBondContact OG-NZ 3.03Å
39W88Confident87.8Confident131 Ų13144.8 Ų44.850%0.49624%0.241SC..THydrogen-bonded Turntrans-67.8-25.5176.1-64.3-34.5000112.1S70W39-S70 VanDerWaalsContact CD1-O 3.29Å; W39-S70 WeakPolarHBondContact O-CB 3.14Å
40D86Confident88.3Confident139 Ų13940.3 Ų40.374%0.74322%0.217SC*.THydrogen-bonded Turntrans-93.9-5.4179.5-46.3-58.1000112.4S38 S42S38-D40 PolarHBondContact O-N 3.08Å; D40-S42 PolarHBondContact O-N 3.22Å
41T86.1Confident88.7Confident6 Ų642.8 Ų42.84%0.03723%0.234CC..  trans-64.3121.7178.1-61.80000109.3L37 S38 D45 L46 I61 L95 D96L37-T41 HydrophobicContact CD2-CG2 4.31Å; S38-T41 WeakPolarHBondContact CA-OG1 3.25Å; S38-T41 WeakPolarHBondContact CB-OG1 3.35Å; S38-T41 PolarHBondContact N-OG1 3.17Å; S38-T41 WeakPolarHBondContact O-CB 3.4Å; S38-T41 PolarHBondContact O-N 3.11Å; S38-T41 PolarHBondContact O-OG1 3.31Å; T41-D45 HydrophobicContact CG2-CB 4.49Å; T41-L46 HydrophobicContact CG2-CB 4.49Å; T41-I61 VanDerWaalsContact O-CD1 3.29Å; T41-I61 WeakPolarHBondContact O-CD1 3.24Å; T41-L95 HydrophobicContact CG2-CD2 3.56Å; T41-L95 HydrophobicContact CG2-CG 4.36Å; T41-D96 WeakPolarHBondContact CA-OD2 2.87Å; T41-D96 VanDerWaalsContact CB-OD2 3.29Å; T41-D96 WeakPolarHBondContact CB-OD2 3.48Å; T41-D96 WeakPolarHBondContact CG2-OD2 3.29Å; T41-D96 PolarHBondContact OG1-OD2 2.81Å
42S87.4Confident88.8Confident41 Ų4149.5 Ų49.529%0.28726%0.263SS..  trans-89.9165.2177.576.80000111.7D40 T44 D45 L46 I61D40-S42 PolarHBondContact O-N 3.22Å; S42-T44 VanDerWaalsContact C-N 3.27Å; S42-T44 PolarHBondContact O-N 3.27Å; S42-T44 PolarHBondContact OG-OG1 2.78Å; S42-D45 WeakPolarHBondContact CB-OD2 3.26Å; S42-D45 PolarHBondContact N-OD2 3.05Å; S42-D45 VanDerWaalsContact N-OD2 3.16Å; S42-D45 PolarHBondContact O-N 3.23Å; S42-D45 PolarHBondContact OG-N 3.38Å; S42-D45 PolarHBondContact OG-OD2 3.04Å; S42-L46 PolarHBondContact O-N 3.18Å; S42-L46 VanDerWaalsContact O-N 3.17Å; S42-I61 VanDerWaalsContact C-CD1 3.42Å
43K85.9Confident88.8Confident71 Ų7151 Ų5131%0.30927%0.27SS..Hα-helixtrans-59.6-40.8175.5-179.8-170.2169.4-162.60111.3E16 L46 T47 C59E16-K43 VanDerWaalsContact CD-NZ 3.27Å; E16-K43 WeakPolarHBondContact OE1-CD 3.49Å; E16-K43 WeakPolarHBondContact OE1-CE 3.47Å; E16-K43 IonicContact OE1-NZ 2.63Å; E16-K43 PolarHBondContact OE1-NZ 3.34Å; K43-L46 PolarHBondContact O-N 2.87Å; K43-T47 WeakPolarHBondContact O-CB 3.42Å; K43-T47 PolarHBondContact O-N 2.85Å; K43-T47 PolarHBondContact O-OG1 3.11Å; K43-C59 WeakPolarHBondContact CE-O 3.33Å; K43-C59 WeakPolarHBondContact CE-SG 3.29Å; K43-C59 WeakPolarHBondContact CG-SG 3.17Å
44T88.5Confident88.6Confident86 Ų8648.9 Ų48.953%0.52826%0.263SS..Hα-helixtrans-63-46.6-179.645.90000110.3S42 L46 T47 D48S42-T44 VanDerWaalsContact C-N 3.27Å; S42-T44 PolarHBondContact O-N 3.27Å; S42-T44 PolarHBondContact OG-OG1 2.78Å; T44-L46 VanDerWaalsContact C-N 3.3Å; T44-L46 PolarHBondContact O-N 2.67Å; T44-T47 PolarHBondContact O-N 3.38Å; T44-T47 VanDerWaalsContact O-N 3.08Å; T44-D48 WeakPolarHBondContact O-CB 3.3Å; T44-D48 PolarHBondContact O-N 3.3Å
45D89.8Confident88.6Confident60 Ų6053.6 Ų53.632%0.32129%0.286SS..Hα-helixtrans-60.4-42.2179.2-53.4-39.5000111.8T41 S42 Y49T41-D45 HydrophobicContact CG2-CB 4.49Å; S42-D45 WeakPolarHBondContact CB-OD2 3.26Å; S42-D45 PolarHBondContact N-OD2 3.05Å; S42-D45 VanDerWaalsContact N-OD2 3.16Å; S42-D45 PolarHBondContact O-N 3.23Å; S42-D45 PolarHBondContact OG-N 3.38Å; S42-D45 PolarHBondContact OG-OD2 3.04Å; D45-Y49 VanDerWaalsContact O-CB 3.29Å; D45-Y49 WeakPolarHBondContact O-CB 3.2Å; D45-Y49 PolarHBondContact O-N 2.78Å
46L88.9Confident88.5Confident0 Ų054.5 Ų54.50%029%0.29CS..Hα-helixtrans-64.8-41.4176.8-17759.7000112I34 L37 T41 S42 K43 T44 L50 I61 V76 L95I34-L46 HydrophobicContact CG1-CD1 4.32Å; I34-L46 HydrophobicContact CG2-CD1 4.1Å; L37-L46 HydrophobicContact CD1-CD2 3.97Å; L37-L46 HydrophobicContact CD2-CD1 3.83Å; T41-L46 HydrophobicContact CG2-CB 4.49Å; S42-L46 PolarHBondContact O-N 3.18Å; S42-L46 VanDerWaalsContact O-N 3.17Å; K43-L46 PolarHBondContact O-N 2.87Å; T44-L46 VanDerWaalsContact C-N 3.3Å; T44-L46 PolarHBondContact O-N 2.67Å; L46-L50 HydrophobicContact CD1-CD1 3.64Å; L46-L50 HydrophobicContact CD1-CG 4.25Å; L46-L50 HydrophobicContact CG-CD1 3.93Å; L46-L50 WeakPolarHBondContact O-CB 3.37Å; L46-L50 WeakPolarHBondContact O-CG 3.26Å; L46-L50 PolarHBondContact O-N 3.27Å; L46-I61 HydrophobicContact CD2-CG1 4.22Å; L46-V76 HydrophobicContact CD2-CG2 3.84Å; L46-V76 HydrophobicContact CG-CG2 4.17Å; L46-L95 HydrophobicContact CB-CD2 4.44Å; L46-L95 HydrophobicContact CD1-CD2 3.97Å
47T89.3Confident88.3Confident28 Ų2856.2 Ų56.217%0.17229%0.289CS..Hα-helixtrans-68.1-47.6179.6-520000110.9K43 T44 Y49 L50 S51 V56 C59K43-T47 WeakPolarHBondContact O-CB 3.42Å; K43-T47 PolarHBondContact O-N 2.85Å; K43-T47 PolarHBondContact O-OG1 3.11Å; T44-T47 PolarHBondContact O-N 3.38Å; T44-T47 VanDerWaalsContact O-N 3.08Å; T47-Y49 VanDerWaalsContact C-N 3.28Å; T47-Y49 PolarHBondContact O-N 2.96Å; T47-L50 PolarHBondContact O-N 2.86Å; T47-S51 VanDerWaalsContact O-CB 3.25Å; T47-S51 WeakPolarHBondContact O-CB 3.28Å; T47-S51 PolarHBondContact O-N 2.95Å; T47-S51 PolarHBondContact O-OG 2.86Å; T47-V56 HydrophobicContact CG2-CB 4.07Å; T47-V56 HydrophobicContact CG2-CG1 4.13Å; T47-V56 HydrophobicContact CG2-CG2 4.42Å; T47-C59 PolarHBondContact OG1-SG 3.01Å
48D90.1Very high88.1Confident106 Ų10656.8 Ų56.857%0.56729%0.292SS*.Hα-helixtrans-63.1-38.3-179.2-68.8-12.4000111.1T44T44-D48 WeakPolarHBondContact O-CB 3.3Å; T44-D48 PolarHBondContact O-N 3.3Å
49Y89.5Confident88Confident39 Ų3956.4 Ų56.415%0.15329%0.29CS..Hα-helixtrans-66.1-47.7174.8-177.3-98.1000112.1D45 T47 K52 F53 H93 L95 I100D45-Y49 VanDerWaalsContact O-CB 3.29Å; D45-Y49 WeakPolarHBondContact O-CB 3.2Å; D45-Y49 PolarHBondContact O-N 2.78Å; T47-Y49 VanDerWaalsContact C-N 3.28Å; T47-Y49 PolarHBondContact O-N 2.96Å; Y49-K52 WeakPolarHBondContact O-CB 3.35Å; Y49-K52 WeakPolarHBondContact O-CG 3.43Å; Y49-F53 HydrophobicContact CE1-CE2 4.05Å; Y49-H93 HydrophobicContact CE1-CB 4.23Å; Y49-H93 AromaticContact CE1-ND1 3.71Å; Y49-H93 AromaticContact CZ-ND1 3.9Å; Y49-H93 PolarHBondContact OH-ND1 3.46Å; Y49-L95 HydrophobicContact CD2-CD1 4.02Å; Y49-L95 HydrophobicContact CG-CD1 3.86Å; Y49-I100 HydrophobicContact CD1-CD1 4.13Å; Y49-I100 HydrophobicContact CE1-CD1 3.86Å
50L88.7Confident88Confident0 Ų051.3 Ų51.30%027%0.273CS..Hα-helixtrans-76.4-23.2-176.1-72172000113.5I34 L46 T47 K52 F53 G54 V56 V76 F78 V87I34-L50 HydrophobicContact CD1-CD1 3.96Å; I34-L50 HydrophobicContact CD1-CD2 4.41Å; I34-L50 HydrophobicContact CG1-CD1 4.1Å; L46-L50 HydrophobicContact CD1-CD1 3.64Å; L46-L50 HydrophobicContact CD1-CG 4.25Å; L46-L50 HydrophobicContact CG-CD1 3.93Å; L46-L50 WeakPolarHBondContact O-CB 3.37Å; L46-L50 WeakPolarHBondContact O-CG 3.26Å; L46-L50 PolarHBondContact O-N 3.27Å; T47-L50 PolarHBondContact O-N 2.86Å; L50-K52 PolarHBondContact O-N 2.78Å; L50-K52 VanDerWaalsContact O-N 3.1Å; L50-F53 HydrophobicContact CD2-CD2 4.42Å; L50-F53 PolarHBondContact O-N 2.75Å; L50-G54 PolarHBondContact O-N 2.95Å; L50-V56 HydrophobicContact CB-CG2 4.15Å; L50-V76 HydrophobicContact CD1-CB 4.03Å; L50-V76 HydrophobicContact CD1-CG1 3.92Å; L50-V76 HydrophobicContact CD1-CG2 3.55Å; L50-F78 HydrophobicContact CB-CE1 4.27Å; L50-F78 HydrophobicContact CB-CZ 3.89Å; L50-F78 HydrophobicContact CD2-CZ 4.22Å; L50-F78 HydrophobicContact CG-CZ 4.43Å; L50-V87 HydrophobicContact CD2-CG1 4.31Å; L50-V87 HydrophobicContact CD2-CG2 4.07Å
51S88.9Confident88.1Confident58 Ų5846.1 Ų46.141%0.40625%0.245SC..THydrogen-bonded Turntrans-61.2-20176.2-65.40000112.9T47 F53 G54T47-S51 VanDerWaalsContact O-CB 3.25Å; T47-S51 WeakPolarHBondContact O-CB 3.28Å; T47-S51 PolarHBondContact O-N 2.95Å; T47-S51 PolarHBondContact O-OG 2.86Å; S51-F53 PolarHBondContact O-N 2.89Å; S51-G54 VanDerWaalsContact CA-O 3.29Å; S51-G54 WeakPolarHBondContact CA-O 3.5Å; S51-G54 PolarHBondContact O-N 2.68Å
52K89.2Confident88.2Confident156 Ų15648.4 Ų48.468%0.67825%0.254SS*.THydrogen-bonded Turntrans-65.3-23.2172.5-61.2176.4-175.2175.90113.1Y49 L50Y49-K52 WeakPolarHBondContact O-CB 3.35Å; Y49-K52 WeakPolarHBondContact O-CG 3.43Å; L50-K52 PolarHBondContact O-N 2.78Å; L50-K52 VanDerWaalsContact O-N 3.1Å
53F88.1Confident88.2Confident32 Ų3250 Ų5014%0.1426%0.262CS..SBendtrans-104.4-7.2-178.2-55-78.7000113Y49 L50 S51 S83 R86 V87 L90Y49-F53 HydrophobicContact CE1-CE2 4.05Å; L50-F53 HydrophobicContact CD2-CD2 4.42Å; L50-F53 PolarHBondContact O-N 2.75Å; S51-F53 PolarHBondContact O-N 2.89Å; F53-S83 WeakPolarHBondContact O-CA 3.44Å; F53-S83 WeakPolarHBondContact O-CB 3.29Å; F53-R86 PolarHBondContact O-NE 2.92Å; F53-R86 PolarHBondContact O-NH1 2.57Å; F53-R86 VanDerWaalsContact O-NH1 3.15Å; F53-R86 PolarHBondContact O-NH2 3.16Å; F53-V87 HydrophobicContact CB-CG2 3.4Å; F53-V87 VanDerWaalsContact CB-CG2 3.4Å; F53-V87 HydrophobicContact CD1-CG2 4.25Å; F53-V87 HydrophobicContact CD2-CG2 3.79Å; F53-V87 HydrophobicContact CG-CG2 3.54Å; F53-L90 HydrophobicContact CD1-CD1 4.46Å; F53-L90 HydrophobicContact CE1-CD1 3.26Å; F53-L90 HydrophobicContact CE1-CG 4.24Å; F53-L90 HydrophobicContact CZ-CD1 3.36Å
54G87.6Confident88Confident12 Ų1249.6 Ų49.612%0.12426%0.264CS..SBendtrans157.7168.3177.700000113.3L50 S51 V56 S83L50-G54 PolarHBondContact O-N 2.95Å; S51-G54 VanDerWaalsContact CA-O 3.29Å; S51-G54 WeakPolarHBondContact CA-O 3.5Å; S51-G54 PolarHBondContact O-N 2.68Å; G54-V56 PolarHBondContact O-N 2.92Å; G54-S83 WeakPolarHBondContact CA-OG 3.26Å
55E89Confident87.5Confident100 Ų10054.1 Ų54.147%0.46728%0.283SS..  trans-68.9120.4179.3-172-175.6146.800110.6F78 R79E55-F78 WeakPolarHBondContact O-CA 3.36Å; E55-R79 HydrophobicContact CB-CB 4.07Å; E55-R79 VanDerWaalsContact CD-CD 3.49Å; E55-R79 HydrophobicContact CG-CB 4.43Å; E55-R79 PolarHBondContact O-N 3.31Å; E55-R79 IonicContact OE1-NH1 3.08Å; E55-R79 PolarHBondContact OE1-NH1 3.44Å; E55-R79 VanDerWaalsContact OE1-NH1 3.08Å; E55-R79 WeakPolarHBondContact OE2-CD 3.39Å; E55-R79 IonicContact OE2-NE 3.9Å; E55-R79 IonicContact OE2-NH1 3.62Å
56V88.8Confident86.9Confident26 Ų2659.7 Ų59.716%0.15831%0.31CS..EExtended strand (participates in β ladder)trans-89.7117.7177.3177.90000109.1T47 L50 G54 D58 C59 V76 F78T47-V56 HydrophobicContact CG2-CB 4.07Å; T47-V56 HydrophobicContact CG2-CG1 4.13Å; T47-V56 HydrophobicContact CG2-CG2 4.42Å; L50-V56 HydrophobicContact CB-CG2 4.15Å; G54-V56 PolarHBondContact O-N 2.92Å; V56-D58 WeakPolarHBondContact CG1-O 3.26Å; V56-C59 HydrophobicContact CG1-CB 4.22Å; V56-V76 HydrophobicContact CB-CG1 4.46Å; V56-V76 HydrophobicContact CG1-CG1 3.6Å; V56-V76 HydrophobicContact CG2-CG1 4.04Å; V56-F78 HydrophobicContact CG2-CD1 3.98Å; V56-F78 HydrophobicContact CG2-CE1 3.67Å; V56-F78 HydrophobicContact CG2-CZ 4.4Å
57L86.2Confident86.6Confident74 Ų7464.2 Ų64.239%0.38734%0.338SS..EExtended strand (participates in β ladder)trans-81.6-37.7177.5-70.1-179.6000112.9L77 R79L57-L77 HydrophobicContact CB-CD2 4.42Å; L57-L77 HydrophobicContact CB-CG 4.36Å; L57-L77 PolarHBondContact N-O 3.36Å; L57-R79 HydrophobicContact CD1-CB 4.17Å; L57-R79 HydrophobicContact CD2-CB 4.14Å; L57-R79 HydrophobicContact CD2-CG 4.43Å; L57-R79 HydrophobicContact CG-CB 3.91Å
58D84.2Confident86.1Confident17 Ų1765.5 Ų65.59%0.09136%0.356CS..EExtended strand (participates in β ladder)trans-155.1150.4-177-166.17.5000109.2G17 K19 I20 V56 L77G17-D58 VanDerWaalsContact C-OD2 3.29Å; G17-D58 WeakPolarHBondContact CA-OD1 3.42Å; G17-D58 WeakPolarHBondContact CA-OD2 3.42Å; G17-D58 PolarHBondContact N-OD1 3.08Å; G17-D58 VanDerWaalsContact N-OD1 3.08Å; G17-D58 PolarHBondContact N-OD2 2.81Å; K19-D58 HydrophobicContact CB-CB 4.35Å; K19-D58 PolarHBondContact N-OD2 3.32Å; I20-D58 HydrophobicContact CD1-CB 3.81Å; I20-D58 HydrophobicContact CG1-CB 3.94Å; I20-D58 WeakPolarHBondContact CG1-OD2 3.4Å; I20-D58 PolarHBondContact N-OD2 3.4Å; I20-D58 VanDerWaalsContact N-OD2 3.13Å; V56-D58 WeakPolarHBondContact CG1-O 3.26Å; D58-L77 HydrophobicContact CB-CB 4.13Å; D58-L77 HydrophobicContact CB-CD2 4.39Å; D58-L77 PolarHBondContact N-O 3.48Å; D58-L77 PolarHBondContact O-N 2.94Å
59C87.1Confident85.8Confident3 Ų366.9 Ų66.92%0.0235%0.353CS..EExtended strand (participates in β ladder)trans-152.2145.8173.958.60000110.6K43 T47 V56 F75 V76K43-C59 WeakPolarHBondContact CE-O 3.33Å; K43-C59 WeakPolarHBondContact CE-SG 3.29Å; K43-C59 WeakPolarHBondContact CG-SG 3.17Å; T47-C59 PolarHBondContact OG1-SG 3.01Å; V56-C59 HydrophobicContact CG1-CB 4.22Å; C59-F75 CarbonylContact C-O 3.56Å; C59-F75 WeakPolarHBondContact CA-O 3.17Å; C59-V76 HydrophobicContact CB-CB 4.41Å; C59-V76 HydrophobicContact CB-CG1 4.29Å; C59-V76 HydrophobicContact CB-CG2 3.9Å
60T88Confident85.7Confident24 Ų2465.5 Ų65.515%0.14735%0.35CS..EExtended strand (participates in β ladder)trans-146.5119.8-173.4-59.60000109.7G17 K62 G74 F75G17-T60 WeakPolarHBondContact CA-OG1 3.34Å; T60-K62 HydrophobicContact CG2-CD 4.36Å; T60-G74 CarbonylContact O-C 3.49Å; T60-G74 WeakPolarHBondContact O-CA 3.23Å; T60-F75 PolarHBondContact N-O 2.79Å; T60-F75 PolarHBondContact O-N 3.04Å
61I89.8Confident85.5Confident30 Ų3073 Ų7315%0.15438%0.378CS..EExtended strand (participates in β ladder)trans-89131.4170.7-61.1-178.2000108.3L37 T41 S42 L46 T63L37-I61 HydrophobicContact CD1-CG1 4.36Å; T41-I61 VanDerWaalsContact O-CD1 3.29Å; T41-I61 WeakPolarHBondContact O-CD1 3.24Å; S42-I61 VanDerWaalsContact C-CD1 3.42Å; L46-I61 HydrophobicContact CD2-CG1 4.22Å; I61-T63 PolarHBondContact O-N 3.31Å
62K86.9Confident85.4Confident54 Ų5470.7 Ų70.724%0.23536%0.364CS..EExtended strand (participates in β ladder)trans-84.5114.9177.1-67.1-55.5-175.6-167.90109.3T60 R71 F73 F75T60-K62 HydrophobicContact CG2-CD 4.36Å; K62-R71 VanDerWaalsContact O-CB 3.24Å; K62-R71 WeakPolarHBondContact O-CB 3.46Å; K62-R71 WeakPolarHBondContact O-CG 3.3Å; K62-R71 PolarHBondContact O-N 2.86Å; K62-F73 HydrophobicContact CB-CD2 4.11Å; K62-F73 HydrophobicContact CB-CE1 4.43Å; K62-F73 HydrophobicContact CB-CE2 3.6Å; K62-F73 HydrophobicContact CB-CZ 3.77Å; K62-F73 HydrophobicContact CG-CD2 4.15Å; K62-F73 HydrophobicContact CG-CE2 3.55Å; K62-F73 HydrophobicContact CG-CZ 4.13Å; K62-F73 PolarHBondContact N-O 3.01Å; K62-F75 HydrophobicContact CG-CD2 4.3Å; K62-F75 HydrophobicContact CG-CE2 4.19Å
63T87.6Confident85.5Confident74 Ų7465.4 Ų65.445%0.45434%0.341SS..EExtended strand (participates in β ladder)trans-100.5157.9172.151.50000110.4I61 R69I61-T63 PolarHBondContact O-N 3.31Å; T63-R69 CarbonylContact C-O 3.51Å; T63-R69 VanDerWaalsContact CA-O 3.25Å; T63-R69 WeakPolarHBondContact CA-O 3.32Å
64D82.9Confident85.6Confident63 Ų6363.9 Ų63.934%0.33733%0.334SS..  trans-73.3127.5167.9176.73.4000109.2M66 T67 G68 R69 R71D64-M66 VanDerWaalsContact C-N 3.25Å; D64-M66 PolarHBondContact O-N 2.8Å; D64-M66 PolarHBondContact OD1-N 3.17Å; D64-T67 WeakPolarHBondContact CB-OG1 3.06Å; D64-T67 VanDerWaalsContact CG-OG1 3.27Å; D64-T67 WeakPolarHBondContact OD2-CG2 3.3Å; D64-T67 PolarHBondContact OD2-OG1 3.19Å; D64-G68 WeakPolarHBondContact O-CA 3.49Å; D64-G68 PolarHBondContact O-N 2.94Å; D64-R69 PolarHBondContact N-O 3.31Å; D64-R71 HydrophobicContact CB-CG 4.46Å
65L78Confident85.8Confident180 Ų18064.9 Ų64.994%0.94234%0.335SS*.THydrogen-bonded Turntrans-67-26-177.9-73.6140.7000112.7
66M76.1Confident85.9Confident178 Ų17860.1 Ų60.188%0.87731%0.313SS*.THydrogen-bonded Turntrans-86.3-38.1-178.8-70.6-16661.200112.8D64D64-M66 VanDerWaalsContact C-N 3.25Å; D64-M66 PolarHBondContact O-N 2.8Å; D64-M66 PolarHBondContact OD1-N 3.17Å
67T82.6Confident85.9Confident95 Ų9559.3 Ų59.358%0.58331%0.308SS*.THydrogen-bonded Turntrans-106.8-11-173.4630000113.4D64 R69D64-T67 WeakPolarHBondContact CB-OG1 3.06Å; D64-T67 VanDerWaalsContact CG-OG1 3.27Å; D64-T67 WeakPolarHBondContact OD2-CG2 3.3Å; D64-T67 PolarHBondContact OD2-OG1 3.19Å; T67-R69 PolarHBondContact O-N 2.83Å; T67-R69 VanDerWaalsContact O-N 3.09Å; T67-R69 PolarHBondContact OG1-N 2.98Å
68G79.5Confident86.1Confident54 Ų5456 Ų5656%0.55729%0.29SS*.  trans68.7-3.3-173.300000114.1D64D64-G68 WeakPolarHBondContact O-CA 3.49Å; D64-G68 PolarHBondContact O-N 2.94Å
69R82.9Confident86.2Confident135 Ų13562.1 Ų62.151%0.50931%0.312SS..  trans-74.7140-173.6-163.3-178.7-163.7177.611.1111.2T63 D64 T67 R71T63-R69 CarbonylContact C-O 3.51Å; T63-R69 VanDerWaalsContact CA-O 3.25Å; T63-R69 WeakPolarHBondContact CA-O 3.32Å; D64-R69 PolarHBondContact N-O 3.31Å; T67-R69 PolarHBondContact O-N 2.83Å; T67-R69 VanDerWaalsContact O-N 3.09Å; T67-R69 PolarHBondContact OG1-N 2.98Å; R69-R71 PolarHBondContact O-N 3.38Å
70S86.9Confident86.1Confident11 Ų1165.8 Ų65.88%0.07733%0.331CS..EExtended strand (participates in β ladder)trans-58134.1171.4174.10000110.9W39 G72W39-S70 VanDerWaalsContact CD1-O 3.29Å; W39-S70 WeakPolarHBondContact O-CB 3.14Å; S70-G72 PolarHBondContact O-N 2.88Å; S70-G72 PolarHBondContact OG-N 3.11Å; S70-G72 VanDerWaalsContact OG-N 3.15Å
71R85.8Confident86.1Confident156 Ų15667.2 Ų67.259%0.58934%0.342SS*.EExtended strand (participates in β ladder)trans-80.13.2174.9-60.3178.362.7-178.5-2.7112.3K62 D64 R69 F73K62-R71 VanDerWaalsContact O-CB 3.24Å; K62-R71 WeakPolarHBondContact O-CB 3.46Å; K62-R71 WeakPolarHBondContact O-CG 3.3Å; K62-R71 PolarHBondContact O-N 2.86Å; D64-R71 HydrophobicContact CB-CG 4.46Å; R69-R71 PolarHBondContact O-N 3.38Å; R71-F73 VanDerWaalsContact C-N 3.32Å; R71-F73 HydrophobicContact CB-CD1 3.73Å; R71-F73 HydrophobicContact CB-CE1 3.43Å; R71-F73 VanDerWaalsContact CB-CE1 3.43Å; R71-F73 HydrophobicContact CB-CZ 4.33Å; R71-F73 HydrophobicContact CG-CE1 4.35Å; R71-F73 WeakPolarHBondContact O-CD1 3.34Å
72G87.4Confident86.1Confident11 Ų1172.3 Ų72.311%0.11337%0.366CS..EExtended strand (participates in β ladder)trans7520.7-179.800000113.7G36 L37 S70G36-G72 PolarHBondContact N-O 2.88Å; L37-G72 PolarHBondContact N-O 2.63Å; L37-G72 WeakPolarHBondContact O-CA 3.21Å; S70-G72 PolarHBondContact O-N 2.88Å; S70-G72 PolarHBondContact OG-N 3.11Å; S70-G72 VanDerWaalsContact OG-N 3.15Å
73F90.5Very high86.2Confident44 Ų4469.8 Ų69.819%0.19335%0.354CS..EExtended strand (participates in β ladder)trans-150.2157.1172.970.7-90000112.3F33 I34 K62 R71 F75F33-F73 HydrophobicContact CD2-CD2 4.36Å; F33-F73 HydrophobicContact CE2-CB 3.81Å; F33-F73 AromaticContact CE2-CD2 3.53Å; F33-F73 HydrophobicContact CE2-CD2 3.53Å; F33-F73 HydrophobicContact CE2-CE2 4.34Å; F33-F73 AromaticContact CE2-CG 3.89Å; F33-F73 HydrophobicContact CE2-CG 3.89Å; F33-F73 HydrophobicContact CZ-CB 3.79Å; F33-F73 HydrophobicContact CZ-CD2 4.31Å; F33-F73 HydrophobicContact CZ-CG 4.21Å; I34-F73 CarbonylContact O-C 3.54Å; I34-F73 WeakPolarHBondContact O-CA 3Å; I34-F73 WeakPolarHBondContact O-CB 3.32Å; K62-F73 HydrophobicContact CB-CD2 4.11Å; K62-F73 HydrophobicContact CB-CE1 4.43Å; K62-F73 HydrophobicContact CB-CE2 3.6Å; K62-F73 HydrophobicContact CB-CZ 3.77Å; K62-F73 HydrophobicContact CG-CD2 4.15Å; K62-F73 HydrophobicContact CG-CE2 3.55Å; K62-F73 HydrophobicContact CG-CZ 4.13Å; K62-F73 PolarHBondContact N-O 3.01Å; R71-F73 VanDerWaalsContact C-N 3.32Å; R71-F73 HydrophobicContact CB-CD1 3.73Å; R71-F73 HydrophobicContact CB-CE1 3.43Å; R71-F73 VanDerWaalsContact CB-CE1 3.43Å; R71-F73 HydrophobicContact CB-CZ 4.33Å; R71-F73 HydrophobicContact CG-CE1 4.35Å; R71-F73 WeakPolarHBondContact O-CD1 3.34Å; F73-F75 HydrophobicContact CD2-CE2 4.38Å; F73-F75 HydrophobicContact CE2-CE2 4.17Å
74G90.8Very high86.2Confident0 Ų066.2 Ų66.20%033%0.333CS..EExtended strand (participates in β ladder)trans-148.1175.8179.800000112.7I34 T60I34-G74 PolarHBondContact N-O 3.43Å; I34-G74 PolarHBondContact O-N 3.26Å; T60-G74 CarbonylContact O-C 3.49Å; T60-G74 WeakPolarHBondContact O-CA 3.23Å
75F91.2Very high86.5Confident33 Ų3366.4 Ų66.415%0.14533%0.334CS..EExtended strand (participates in β ladder)trans-123.2143.7172.2-65.9-86.6000109.1I20 M32 F33 C59 T60 K62 F73 A105I20-F75 HydrophobicContact CD1-CB 4.42Å; I20-F75 HydrophobicContact CG2-CB 3.9Å; M32-F75 CarbonylContact O-C 3.53Å; M32-F75 VanDerWaalsContact O-CA 3.3Å; M32-F75 WeakPolarHBondContact O-CA 3.48Å; F33-F75 HydrophobicContact CB-CD1 4.31Å; F33-F75 HydrophobicContact CB-CE1 4.11Å; F33-F75 HydrophobicContact CD2-CD1 4.39Å; F33-F75 AromaticContact CD2-CE1 3.78Å; F33-F75 HydrophobicContact CD2-CE1 3.78Å; F33-F75 AromaticContact CD2-CZ 3.86Å; F33-F75 HydrophobicContact CD2-CZ 3.86Å; F33-F75 HydrophobicContact CG-CE1 4.45Å; C59-F75 CarbonylContact C-O 3.56Å; C59-F75 WeakPolarHBondContact CA-O 3.17Å; T60-F75 PolarHBondContact N-O 2.79Å; T60-F75 PolarHBondContact O-N 3.04Å; K62-F75 HydrophobicContact CG-CD2 4.3Å; K62-F75 HydrophobicContact CG-CE2 4.19Å; F73-F75 HydrophobicContact CD2-CE2 4.38Å; F73-F75 HydrophobicContact CE2-CE2 4.17Å; F75-A105 HydrophobicContact CD1-CB 4.29Å; F75-A105 HydrophobicContact CE1-CB 4.47Å
76V90.7Very high87Confident0 Ų063 Ų630%031%0.309CS..EExtended strand (participates in β ladder)trans-132.7138.1178.3-178.30000107.7K31 M32 I34 L46 L50 V56 C59 F78K31-V76 CarbonylContact C-O 3.55Å; K31-V76 WeakPolarHBondContact CA-O 3.29Å; M32-V76 PolarHBondContact N-O 3.05Å; M32-V76 PolarHBondContact O-N 3.14Å; I34-V76 HydrophobicContact CG1-CG2 3.91Å; L46-V76 HydrophobicContact CD2-CG2 3.84Å; L46-V76 HydrophobicContact CG-CG2 4.17Å; L50-V76 HydrophobicContact CD1-CB 4.03Å; L50-V76 HydrophobicContact CD1-CG1 3.92Å; L50-V76 HydrophobicContact CD1-CG2 3.55Å; V56-V76 HydrophobicContact CB-CG1 4.46Å; V56-V76 HydrophobicContact CG1-CG1 3.6Å; V56-V76 HydrophobicContact CG2-CG1 4.04Å; C59-V76 HydrophobicContact CB-CB 4.41Å; C59-V76 HydrophobicContact CB-CG1 4.29Å; C59-V76 HydrophobicContact CB-CG2 3.9Å; V76-F78 HydrophobicContact CG1-CD2 4.47Å; V76-F78 HydrophobicContact CG1-CE2 4.18Å; V76-F78 HydrophobicContact CG1-CZ 4.38Å
77L88.8Confident87.6Confident10 Ų1054.6 Ų54.65%0.05227%0.267CS..EExtended strand (participates in β ladder)trans-114.2115.4176-179.463.7000107.6K19 I20 D28 K31 L57 D58K19-L77 HydrophobicContact CB-CD2 3.82Å; I20-L77 HydrophobicContact CD1-CB 4.32Å; I20-L77 HydrophobicContact CG1-CB 3.89Å; D28-L77 VanDerWaalsContact OD2-CD1 3.26Å; D28-L77 WeakPolarHBondContact OD2-CD1 3.35Å; K31-L77 HydrophobicContact CB-CD1 4.08Å; L57-L77 HydrophobicContact CB-CD2 4.42Å; L57-L77 HydrophobicContact CB-CG 4.36Å; L57-L77 PolarHBondContact N-O 3.36Å; D58-L77 HydrophobicContact CB-CB 4.13Å; D58-L77 HydrophobicContact CB-CD2 4.39Å; D58-L77 PolarHBondContact N-O 3.48Å; D58-L77 PolarHBondContact O-N 2.94Å
78F89.9Confident87.9Confident3 Ų353 Ų531%0.01325%0.254CS..EExtended strand (participates in β ladder)trans-84.6157170.9-71.2-80.9000110.7G30 M32 L50 E55 V56 V76 V84 V87G30-F78 PolarHBondContact O-N 3.13Å; M32-F78 HydrophobicContact CB-CE2 4.36Å; M32-F78 HydrophobicContact SD-CE2 4.29Å; L50-F78 HydrophobicContact CB-CE1 4.27Å; L50-F78 HydrophobicContact CB-CZ 3.89Å; L50-F78 HydrophobicContact CD2-CZ 4.22Å; L50-F78 HydrophobicContact CG-CZ 4.43Å; E55-F78 WeakPolarHBondContact O-CA 3.36Å; V56-F78 HydrophobicContact CG2-CD1 3.98Å; V56-F78 HydrophobicContact CG2-CE1 3.67Å; V56-F78 HydrophobicContact CG2-CZ 4.4Å; V76-F78 HydrophobicContact CG1-CD2 4.47Å; V76-F78 HydrophobicContact CG1-CE2 4.18Å; V76-F78 HydrophobicContact CG1-CZ 4.38Å; F78-V84 HydrophobicContact CD2-CG2 3.71Å; F78-V84 HydrophobicContact CE2-CG2 4.38Å; F78-V84 HydrophobicContact CG-CG2 4.5Å; F78-V87 HydrophobicContact CE2-CG2 4.33Å; F78-V87 HydrophobicContact CZ-CG2 3.96Å
79R86.5Confident88.3Confident147 Ų14758.1 Ų58.156%0.55526%0.264SS*.SBendtrans-64-45.7169.6-175.7176.6-176.2123.12.6111.8E55 L57E55-R79 HydrophobicContact CB-CB 4.07Å; E55-R79 VanDerWaalsContact CD-CD 3.49Å; E55-R79 HydrophobicContact CG-CB 4.43Å; E55-R79 PolarHBondContact O-N 3.31Å; E55-R79 IonicContact OE1-NH1 3.08Å; E55-R79 PolarHBondContact OE1-NH1 3.44Å; E55-R79 VanDerWaalsContact OE1-NH1 3.08Å; E55-R79 WeakPolarHBondContact OE2-CD 3.39Å; E55-R79 IonicContact OE2-NE 3.9Å; E55-R79 IonicContact OE2-NH1 3.62Å; L57-R79 HydrophobicContact CD1-CB 4.17Å; L57-R79 HydrophobicContact CD2-CB 4.14Å; L57-R79 HydrophobicContact CD2-CG 4.43Å; L57-R79 HydrophobicContact CG-CB 3.91Å
80D86.1Confident88.5Confident79 Ų7955.5 Ų55.542%0.42226%0.26SS..SBendtrans-116.3137.9-176.6-53.1-59.1000110.9E82 S83D80-E82 PolarHBondContact O-N 3.45Å; D80-S83 VanDerWaalsContact O-CB 3.25Å; D80-S83 WeakPolarHBondContact O-CB 3.17Å; D80-S83 PolarHBondContact O-N 3.08Å; D80-S83 VanDerWaalsContact O-N 3.11Å; D80-S83 PolarHBondContact O-OG 2.65Å
81S87.4Confident88Confident55 Ų5564.9 Ų64.939%0.38530%0.299SS..Hα-helixtrans-63.8-26.4175.257.80000112.9S83 V84 D85S81-S83 PolarHBondContact O-N 3.28Å; S81-V84 VanDerWaalsContact O-CB 3.26Å; S81-V84 WeakPolarHBondContact O-CB 3.48Å; S81-V84 PolarHBondContact O-N 3.42Å; S81-D85 PolarHBondContact O-N 2.92Å
82E89.2Confident88Confident137 Ų13764.8 Ų64.864%0.6431%0.305SS*.Hα-helixtrans-62.1-27.3174.8-62.7-174.7174.600112.4D80 V84 D85 R86D80-E82 PolarHBondContact O-N 3.45Å; E82-V84 VanDerWaalsContact C-N 3.27Å; E82-V84 PolarHBondContact O-N 2.96Å; E82-D85 PolarHBondContact O-N 2.73Å; E82-R86 WeakPolarHBondContact O-CG 3.47Å; E82-R86 PolarHBondContact O-N 3.37Å
83S89.1Confident88Confident0 Ų064.3 Ų64.30%030%0.3CS..Hα-helixtrans-64.8-35.9174.7-50.50000111.2F53 G54 D80 S81 D85 R86 V87F53-S83 WeakPolarHBondContact O-CA 3.44Å; F53-S83 WeakPolarHBondContact O-CB 3.29Å; G54-S83 WeakPolarHBondContact CA-OG 3.26Å; D80-S83 VanDerWaalsContact O-CB 3.25Å; D80-S83 WeakPolarHBondContact O-CB 3.17Å; D80-S83 PolarHBondContact O-N 3.08Å; D80-S83 VanDerWaalsContact O-N 3.11Å; D80-S83 PolarHBondContact O-OG 2.65Å; S81-S83 PolarHBondContact O-N 3.28Å; S83-D85 VanDerWaalsContact C-N 3.31Å; S83-D85 PolarHBondContact O-N 2.81Å; S83-R86 PolarHBondContact O-N 3.4Å; S83-R86 PolarHBondContact OG-NH2 3.23Å; S83-R86 VanDerWaalsContact OG-NH2 3.12Å; S83-V87 WeakPolarHBondContact O-CG2 3.39Å; S83-V87 PolarHBondContact O-N 2.86Å; S83-V87 VanDerWaalsContact O-N 3.12Å
84V87.3Confident87.9Confident0 Ų068.6 Ų68.60%032%0.319CS..Hα-helixtrans-64.6-39.8174.6173.60000110.4M32 F78 S81 E82 V87 L88 R104M32-V84 HydrophobicContact CE-CB 3.85Å; M32-V84 HydrophobicContact CE-CG1 3.35Å; M32-V84 HydrophobicContact CE-CG2 4.22Å; M32-V84 WeakPolarHBondContact CE-O 3.17Å; F78-V84 HydrophobicContact CD2-CG2 3.71Å; F78-V84 HydrophobicContact CE2-CG2 4.38Å; F78-V84 HydrophobicContact CG-CG2 4.5Å; S81-V84 VanDerWaalsContact O-CB 3.26Å; S81-V84 WeakPolarHBondContact O-CB 3.48Å; S81-V84 PolarHBondContact O-N 3.42Å; E82-V84 VanDerWaalsContact C-N 3.27Å; E82-V84 PolarHBondContact O-N 2.96Å; V84-V87 PolarHBondContact O-N 2.87Å; V84-L88 HydrophobicContact CG1-CD1 3.98Å; V84-L88 VanDerWaalsContact O-CG 3.28Å; V84-L88 WeakPolarHBondContact O-CG 3.43Å; V84-L88 PolarHBondContact O-N 3.07Å; V84-R104 HydrophobicContact CG1-CG 4.01Å
85D89.1Confident87.8Confident67 Ų6769.3 Ų69.336%0.35832%0.322SS..Hα-helixtrans-67.1-43.1179.7-62.5-16.9000111.7S81 E82 S83 V87 L88 E89 R104S81-D85 PolarHBondContact O-N 2.92Å; E82-D85 PolarHBondContact O-N 2.73Å; S83-D85 VanDerWaalsContact C-N 3.31Å; S83-D85 PolarHBondContact O-N 2.81Å; D85-V87 VanDerWaalsContact C-N 3.32Å; D85-V87 PolarHBondContact O-N 2.88Å; D85-L88 CarbonylContact O-C 3.58Å; D85-L88 PolarHBondContact O-N 2.96Å; D85-L88 VanDerWaalsContact O-N 3.14Å; D85-E89 WeakPolarHBondContact O-CB 3.35Å; D85-E89 PolarHBondContact O-N 2.81Å; D85-R104 IonicContact OD1-CZ 3.06Å; D85-R104 IonicContact OD1-NH1 2.83Å; D85-R104 PolarHBondContact OD1-NH1 2.91Å; D85-R104 IonicContact OD1-NH2 2.57Å; D85-R104 PolarHBondContact OD1-NH2 2.6Å
86R89.8Confident87.4Confident109 Ų10971.7 Ų71.741%0.41134%0.337SS..Hα-helixtrans-61.9-37.4175.5-73.1-176.6-75163-6.8113F53 E82 S83F53-R86 PolarHBondContact O-NE 2.92Å; F53-R86 PolarHBondContact O-NH1 2.57Å; F53-R86 VanDerWaalsContact O-NH1 3.15Å; F53-R86 PolarHBondContact O-NH2 3.16Å; E82-R86 WeakPolarHBondContact O-CG 3.47Å; E82-R86 PolarHBondContact O-N 3.37Å; S83-R86 PolarHBondContact O-N 3.4Å; S83-R86 PolarHBondContact OG-NH2 3.23Å; S83-R86 VanDerWaalsContact OG-NH2 3.12Å
87V88.9Confident87Confident0 Ų074.5 Ų74.50%037%0.366CS..Hα-helixtrans-64.7-50.7172.1174.40000109.1M32 L50 F53 F78 S83 V84 D85 E89 L90 H93 P102M32-V87 HydrophobicContact CE-CB 3.72Å; M32-V87 HydrophobicContact CE-CG1 3.75Å; M32-V87 HydrophobicContact CE-CG2 4.43Å; M32-V87 HydrophobicContact SD-CB 4.08Å; M32-V87 HydrophobicContact SD-CG1 3.58Å; M32-V87 VanDerWaalsContact SD-CG1 3.58Å; M32-V87 HydrophobicContact SD-CG2 4.46Å; L50-V87 HydrophobicContact CD2-CG1 4.31Å; L50-V87 HydrophobicContact CD2-CG2 4.07Å; F53-V87 HydrophobicContact CB-CG2 3.4Å; F53-V87 VanDerWaalsContact CB-CG2 3.4Å; F53-V87 HydrophobicContact CD1-CG2 4.25Å; F53-V87 HydrophobicContact CD2-CG2 3.79Å; F53-V87 HydrophobicContact CG-CG2 3.54Å; F78-V87 HydrophobicContact CE2-CG2 4.33Å; F78-V87 HydrophobicContact CZ-CG2 3.96Å; S83-V87 WeakPolarHBondContact O-CG2 3.39Å; S83-V87 PolarHBondContact O-N 2.86Å; S83-V87 VanDerWaalsContact O-N 3.12Å; V84-V87 PolarHBondContact O-N 2.87Å; D85-V87 VanDerWaalsContact C-N 3.32Å; D85-V87 PolarHBondContact O-N 2.88Å; V87-E89 PolarHBondContact O-N 3.48Å; V87-L90 PolarHBondContact O-N 3.04Å; V87-L90 VanDerWaalsContact O-N 3.1Å; V87-H93 PolarHBondContact O-CE1 2.59Å; V87-H93 PolarHBondContact O-NE2 3.29Å; V87-P102 HydrophobicContact CG1-CB 3.57Å; V87-P102 HydrophobicContact CG1-CG 3.63Å
88L88.3Confident87Confident61 Ų6178 Ų7832%0.31938%0.38SS..Hα-helixtrans-66.4-22-177.9-67170.4000114.6M32 V84 D85 L90 P102 R104M32-L88 HydrophobicContact CE-CD1 4.44Å; M32-L88 HydrophobicContact CE-CD2 4.29Å; M32-L88 HydrophobicContact CE-CG 3.95Å; V84-L88 HydrophobicContact CG1-CD1 3.98Å; V84-L88 VanDerWaalsContact O-CG 3.28Å; V84-L88 WeakPolarHBondContact O-CG 3.43Å; V84-L88 PolarHBondContact O-N 3.07Å; D85-L88 CarbonylContact O-C 3.58Å; D85-L88 PolarHBondContact O-N 2.96Å; D85-L88 VanDerWaalsContact O-N 3.14Å; L88-L90 PolarHBondContact O-N 3.36Å; L88-P102 VanDerWaalsContact CD2-O 3.26Å; L88-P102 WeakPolarHBondContact CD2-O 3.37Å; L88-R104 HydrophobicContact CD1-CG 3.61Å
89E88.4Confident86.9Confident162 Ų16283.2 Ų83.276%0.75741%0.408SS*.Hα-helixtrans-63.8-31.1174.3-172.1171.2-161.700111.6D85 V87 K91D85-E89 WeakPolarHBondContact O-CB 3.35Å; D85-E89 PolarHBondContact O-N 2.81Å; V87-E89 PolarHBondContact O-N 3.48Å; E89-K91 PolarHBondContact O-N 3.28Å
90L85.8Confident87.2Confident81 Ų8176.7 Ų76.742%0.42438%0.384SS..SBendtrans-78.4118.7170-69.3-178.9000110.3F53 V87 L88 E92 H93F53-L90 HydrophobicContact CD1-CD1 4.46Å; F53-L90 HydrophobicContact CE1-CD1 3.26Å; F53-L90 HydrophobicContact CE1-CG 4.24Å; F53-L90 HydrophobicContact CZ-CD1 3.36Å; V87-L90 PolarHBondContact O-N 3.04Å; V87-L90 VanDerWaalsContact O-N 3.1Å; L88-L90 PolarHBondContact O-N 3.36Å; L90-E92 VanDerWaalsContact C-N 3.27Å; L90-E92 PolarHBondContact O-N 2.61Å; L90-H93 PolarHBondContact O-NE2 3.43Å
91K77.5Confident87.3Confident208 Ų20876.3 Ų76.390%0.90438%0.382SS*.SBendtrans-67.4-26.7178.2-76.1-174.8175.6179.30113.9E89E89-K91 PolarHBondContact O-N 3.28Å
92E86.4Confident87.4Confident153 Ų15374.3 Ų74.372%0.71537%0.367SS*.  trans-136.6125.8-174.6-63.8-173.1150.200110.7L90L90-E92 VanDerWaalsContact C-N 3.27Å; L90-E92 PolarHBondContact O-N 2.61Å
93H87.3Confident87.5Confident2 Ų272.9 Ų72.91%0.00936%0.359CS..EExtended strand (participates in β ladder)trans-119.3138173.6-66.9-90000109.7Y49 V87 L90 L99 I100 P102Y49-H93 HydrophobicContact CE1-CB 4.23Å; Y49-H93 AromaticContact CE1-ND1 3.71Å; Y49-H93 AromaticContact CZ-ND1 3.9Å; Y49-H93 PolarHBondContact OH-ND1 3.46Å; V87-H93 PolarHBondContact O-CE1 2.59Å; V87-H93 PolarHBondContact O-NE2 3.29Å; L90-H93 PolarHBondContact O-NE2 3.43Å; H93-L99 CarbonylContact O-C 3.6Å; H93-L99 VanDerWaalsContact O-CA 3.28Å; H93-L99 WeakPolarHBondContact O-CA 3.03Å; H93-I100 HydrophobicContact CB-CD1 3.79Å; H93-I100 HydrophobicContact CB-CG1 3.25Å; H93-I100 PolarHBondContact O-N 3.18Å; H93-P102 WeakPolarHBondContact CD2-CG 3.34Å; H93-P102 WeakPolarHBondContact NE2-CG 3.15Å
94K88.1Confident87.4Confident133 Ų13378.6 Ų78.658%0.57838%0.381SS*.EExtended strand (participates in β ladder)trans-128.7124.7-179.7-168.8175.7178.2176.50110.1G97 K98 L99K94-G97 WeakPolarHBondContact CE-O 3.33Å; K94-K98 CarbonylContact C-O 3.54Å; K94-K98 VanDerWaalsContact CA-O 3.26Å; K94-K98 WeakPolarHBondContact CA-O 3.1Å; K94-K98 WeakPolarHBondContact CG-O 3.19Å; K94-L99 HydrophobicContact CB-CD2 4.3Å
95L87.4Confident87.2Confident15 Ų1578.9 Ų78.98%0.07938%0.383CS..EExtended strand (participates in β ladder)trans-133.4132.8177.4-169.866.4000108.7L37 T41 L46 Y49 G97 K98 I100L37-L95 HydrophobicContact CD2-CD2 4.16Å; T41-L95 HydrophobicContact CG2-CD2 3.56Å; T41-L95 HydrophobicContact CG2-CG 4.36Å; L46-L95 HydrophobicContact CB-CD2 4.44Å; L46-L95 HydrophobicContact CD1-CD2 3.97Å; Y49-L95 HydrophobicContact CD2-CD1 4.02Å; Y49-L95 HydrophobicContact CG-CD1 3.86Å; L95-G97 PolarHBondContact O-N 2.95Å; L95-G97 VanDerWaalsContact O-N 3.11Å; L95-K98 PolarHBondContact N-O 2.96Å; L95-K98 PolarHBondContact O-N 3.3Å; L95-K98 VanDerWaalsContact O-O 3.04Å; L95-I100 HydrophobicContact CB-CD1 4.27Å; L95-I100 HydrophobicContact CB-CG2 3.74Å
96D83.7Confident86.7Confident84 Ų8484.5 Ų84.545%0.44940%0.404SS..THydrogen-bonded Turntrans5136.7-179.9-51.6-33.2000114.6T41 K98T41-D96 WeakPolarHBondContact CA-OD2 2.87Å; T41-D96 VanDerWaalsContact CB-OD2 3.29Å; T41-D96 WeakPolarHBondContact CB-OD2 3.48Å; T41-D96 WeakPolarHBondContact CG2-OD2 3.29Å; T41-D96 PolarHBondContact OG1-OD2 2.81Å; D96-K98 PolarHBondContact O-N 3.2Å
97G82.4Confident85.6Confident59 Ų5980.7 Ų80.761%0.60840%0.396SS*.THydrogen-bonded Turntrans79.2-6.1-178.600000115K94 L95K94-G97 WeakPolarHBondContact CE-O 3.33Å; L95-G97 PolarHBondContact O-N 2.95Å; L95-G97 VanDerWaalsContact O-N 3.11Å
98K87.9Confident84.3Confident83 Ų8386.8 Ų86.836%0.36143%0.426SS..EExtended strand (participates in β ladder)trans-104.1148.5176.8-77.8-177.3178.7161.40112.3S38 K94 L95 D96S38-K98 PolarHBondContact OG-NZ 3.03Å; K94-K98 CarbonylContact C-O 3.54Å; K94-K98 VanDerWaalsContact CA-O 3.26Å; K94-K98 WeakPolarHBondContact CA-O 3.1Å; K94-K98 WeakPolarHBondContact CG-O 3.19Å; L95-K98 PolarHBondContact N-O 2.96Å; L95-K98 PolarHBondContact O-N 3.3Å; L95-K98 VanDerWaalsContact O-O 3.04Å; D96-K98 PolarHBondContact O-N 3.2Å
99L88.9Confident82.5Confident113 Ų11392.9 Ų92.959%0.59245%0.45SS*.EExtended strand (participates in β ladder)trans-77.8123.6170.8-69.9171.4000109.1H93 K94H93-L99 CarbonylContact O-C 3.6Å; H93-L99 VanDerWaalsContact O-CA 3.28Å; H93-L99 WeakPolarHBondContact O-CA 3.03Å; K94-L99 HydrophobicContact CB-CD2 4.3Å
100I91.9Very high80.6Confident9 Ų986.3 Ų86.35%0.04643%0.426CS..EExtended strand (participates in β ladder)trans-98.5148.4174.470.6175.5000109I34 G35 L37 Y49 H93 L95 P102I34-I100 HydrophobicContact CG2-CB 4.09Å; I34-I100 HydrophobicContact CG2-CD1 3.99Å; I34-I100 HydrophobicContact CG2-CG1 4.4Å; G35-I100 CarbonylContact O-C 3.54Å; G35-I100 WeakPolarHBondContact O-CA 3.25Å; L37-I100 HydrophobicContact CD2-CB 4.47Å; L37-I100 HydrophobicContact CD2-CG2 3.84Å; Y49-I100 HydrophobicContact CD1-CD1 4.13Å; Y49-I100 HydrophobicContact CE1-CD1 3.86Å; H93-I100 HydrophobicContact CB-CD1 3.79Å; H93-I100 HydrophobicContact CB-CG1 3.25Å; H93-I100 PolarHBondContact O-N 3.18Å; L95-I100 HydrophobicContact CB-CD1 4.27Å; L95-I100 HydrophobicContact CB-CG2 3.74Å; I100-P102 VanDerWaalsContact O-CD 3.3Å; I100-P102 WeakPolarHBondContact O-CD 3.44Å
101D89.3Confident79Confident72 Ų7291.9 Ų91.939%0.38545%0.447SS..EExtended strand (participates in β ladder)trans-118.585.7-175.9179.430.4000108.9G35 K103G35-D101 PolarHBondContact N-O 3.49Å; G35-D101 PolarHBondContact O-N 3.09Å; D101-K103 WeakPolarHBondContact OD1-CE 3.39Å; D101-K103 IonicContact OD1-NZ 2.84Å; D101-K103 WeakPolarHBondContact OD2-CE 3.2Å; D101-K103 IonicContact OD2-NZ 3.77Å; D101-K103 PolarHBondContact OD2-NZ 2.66Å
102P89.8Confident77.7Confident12 Ų1288 Ų888%0.07843%0.432CS..EExtended strand (participates in β ladder)trans-72.3130.4174.525.5-26.3000110.3M32 F33 I34 V87 L88 H93 I100M32-P102 HydrophobicContact CE-CB 4.32Å; M32-P102 HydrophobicContact CG-CB 4.34Å; M32-P102 HydrophobicContact SD-CB 3.47Å; M32-P102 WeakPolarHBondContact SD-CB 3.16Å; F33-P102 CarbonylContact O-C 3.49Å; F33-P102 WeakPolarHBondContact O-CA 3.24Å; I34-P102 HydrophobicContact CD1-CB 3.77Å; V87-P102 HydrophobicContact CG1-CB 3.57Å; V87-P102 HydrophobicContact CG1-CG 3.63Å; L88-P102 VanDerWaalsContact CD2-O 3.26Å; L88-P102 WeakPolarHBondContact CD2-O 3.37Å; H93-P102 WeakPolarHBondContact CD2-CG 3.34Å; H93-P102 WeakPolarHBondContact NE2-CG 3.15Å; I100-P102 VanDerWaalsContact O-CD 3.3Å; I100-P102 WeakPolarHBondContact O-CD 3.44Å
103K89.5Confident76.2Confident108 Ų10883.3 Ų83.347%0.4741%0.414SS..EExtended strand (participates in β ladder)trans-135.5148.6176.6-73.6172.9170.4155.80108.8M32 F33 D101 A105M32-K103 VanDerWaalsContact CG-O 3.24Å; M32-K103 WeakPolarHBondContact CG-O 3.46Å; F33-K103 HydrophobicContact CD1-CB 4.33Å; F33-K103 PolarHBondContact N-O 3.32Å; F33-K103 PolarHBondContact O-N 2.8Å; F33-K103 VanDerWaalsContact O-O 3.1Å; D101-K103 WeakPolarHBondContact OD1-CE 3.39Å; D101-K103 IonicContact OD1-NZ 2.84Å; D101-K103 WeakPolarHBondContact OD2-CE 3.2Å; D101-K103 IonicContact OD2-NZ 3.77Å; D101-K103 PolarHBondContact OD2-NZ 2.66Å; K103-A105 PolarHBondContact O-N 3.43Å
104R88.1Confident74.9Confident119 Ų11985.2 Ų85.245%0.44943%0.427SS..EExtended strand (participates in β ladder)trans-51.9129.7169.1-63.7-164.2-171.8-93.84.8109.2V84 D85 L88 K106V84-R104 HydrophobicContact CG1-CG 4.01Å; D85-R104 IonicContact OD1-CZ 3.06Å; D85-R104 IonicContact OD1-NH1 2.83Å; D85-R104 PolarHBondContact OD1-NH1 2.91Å; D85-R104 IonicContact OD1-NH2 2.57Å; D85-R104 PolarHBondContact OD1-NH2 2.6Å; L88-R104 HydrophobicContact CD1-CG 3.61Å; R104-K106 PolarHBondContact O-N 3.33Å
105A83.1Confident74.3Confident6 Ų683 Ų835%0.0542%0.417CS..  trans-66114.6178.100000107.4K31 F75 K103 A107K31-A105 HydrophobicContact CB-CB 3.84Å; K31-A105 HydrophobicContact CD-CB 3.81Å; K31-A105 HydrophobicContact CG-CB 3.52Å; K31-A105 WeakPolarHBondContact O-CB 3.5Å; K31-A105 PolarHBondContact O-N 3Å; F75-A105 HydrophobicContact CD1-CB 4.29Å; F75-A105 HydrophobicContact CE1-CB 4.47Å; K103-A105 PolarHBondContact O-N 3.43Å; A105-A107 PolarHBondContact O-N 3.15Å
106K78.1Confident74.2Confident186 Ų18685 Ų8581%0.80943%0.425SS*.  trans-67.1127.7162.4-65-177.1-179.4-179.30105.3R104 M108R104-K106 PolarHBondContact O-N 3.33Å; K106-M108 PolarHBondContact O-N 3.41Å
107A67.6Low74.4Confident28 Ų2881 Ų8123%0.23140%0.404CS..  trans-48120.9157.500000104.8Q27 A105 K109Q27-A107 HydrophobicContact CB-CB 4.26Å; A105-A107 PolarHBondContact O-N 3.15Å; A107-K109 PolarHBondContact O-N 2.87Å
108M60.7Low74.6Confident129 Ų12980.7 Ų80.764%0.63539%0.386SS*.  trans-55.8115.5153.1-79.3-171.2129.600101.1K106 G110K106-M108 PolarHBondContact O-N 3.41Å; M108-G110 PolarHBondContact O-N 2.79Å
109K51.5Low74.7Confident188 Ų18876.8 Ų76.882%0.81737%0.369SS*.  trans-55.980.5147.6-71.8-174.1178.3-171.70102.2A107 K111A107-K109 PolarHBondContact O-N 2.87Å; K109-K111 VanDerWaalsContact C-N 3.32Å; K109-K111 PolarHBondContact O-N 3.09Å
110G47.6Very low74.6Confident24 Ų2471.7 Ų71.725%0.24734%0.344CS..  trans-47.8117.3164.200000100M108 E112M108-G110 PolarHBondContact O-N 2.79Å; G110-E112 VanDerWaalsContact C-N 3.25Å; G110-E112 VanDerWaalsContact O-CA 3.3Å; G110-E112 WeakPolarHBondContact O-CA 2.9Å; G110-E112 PolarHBondContact O-N 2.95Å
111K52.4Low74.1Confident199 Ų19973.5 Ų73.587%0.86537%0.365SS*.  trans-30.6105.2176.9-76.8176174.3179.40104.3K109K109-K111 VanDerWaalsContact C-N 3.32Å; K109-K111 PolarHBondContact O-N 3.09Å
112E49.6Very low73.9Confident127 Ų12770.6 Ų70.659%0.59335%0.349SS*.  trans-50.5128.2-173.4-76176-173.900103.4G110 P114G110-E112 VanDerWaalsContact C-N 3.25Å; G110-E112 VanDerWaalsContact O-CA 3.3Å; G110-E112 WeakPolarHBondContact O-CA 2.9Å; G110-E112 PolarHBondContact O-N 2.95Å; E112-P114 WeakPolarHBondContact O-CA 3.46Å; E112-P114 VanDerWaalsContact O-CD 3.32Å; E112-P114 WeakPolarHBondContact O-CD 3.41Å
113P54.4Low73.4Confident54 Ų5471.3 Ų71.335%0.35135%0.354SS..  trans-46.5114.8179.614.7-25.2000104.4K115 E166P113-K115 PolarHBondContact O-N 3.26Å; P113-E166 HydrophobicContact CB-CB 4.34Å; P113-E166 WeakPolarHBondContact CB-OE2 3.46Å; P113-E166 HydrophobicContact CG-CB 4.06Å; P113-E166 HydrophobicContact CG-CG 4.48Å; P113-E166 WeakPolarHBondContact CG-OE2 3.5Å
114P60.6Low72.8Confident42 Ų4269.1 Ų69.127%0.27335%0.352SS..  trans-64.4107.5-150.212.4-23.8000106.7E112 K116 V189E112-P114 WeakPolarHBondContact O-CA 3.46Å; E112-P114 VanDerWaalsContact O-CD 3.32Å; E112-P114 WeakPolarHBondContact O-CD 3.41Å; P114-K116 CarbonylContact O-C 3.57Å; P114-K116 PolarHBondContact O-N 3.17Å; P114-V189 HydrophobicContact CB-CG1 4.26Å; P114-V189 HydrophobicContact CG-CB 4.28Å; P114-V189 HydrophobicContact CG-CG1 3.31Å; P114-V189 HydrophobicContact CG-CG2 4.27Å
115K76.1Confident72.4Confident85 Ų8569.8 Ų69.837%0.3736%0.364SS..SBendtrans-57.4-18.2176.6-62.6-170179.7-159.50110.7P113 T162 Y163 C164P113-K115 PolarHBondContact O-N 3.26Å; K115-T162 HydrophobicContact CB-CG2 4.25Å; K115-T162 CarbonylContact O-C 3.6Å; K115-T162 VanDerWaalsContact O-CA 3.3Å; K115-T162 WeakPolarHBondContact O-CA 3.28Å; K115-Y163 WeakPolarHBondContact CB-O 3.29Å; K115-Y163 PolarHBondContact O-N 3.16Å; K115-C164 PolarHBondContact NZ-O 3.01Å
116K84.4Confident72.3Confident58 Ų5869.7 Ų69.725%0.25236%0.363SS..EExtended strand (participates in β ladder)trans-92.3124.8174.1-163.5167.5-175.9166.60112.1P114 E145 F160 V161 A190P114-K116 CarbonylContact O-C 3.57Å; P114-K116 PolarHBondContact O-N 3.17Å; K116-E145 IonicContact NZ-OE1 2.69Å; K116-E145 PolarHBondContact NZ-OE1 3.46Å; K116-E145 IonicContact NZ-OE2 2.65Å; K116-E145 PolarHBondContact NZ-OE2 2.85Å; K116-F160 HydrophobicContact CD-CB 4.22Å; K116-F160 HydrophobicContact CD-CD1 4.44Å; K116-F160 VanDerWaalsContact CE-CG 3.4Å; K116-F160 HydrophobicContact CG-CB 4.04Å; K116-F160 HydrophobicContact CG-CD1 4.34Å; K116-V161 CarbonylContact C-O 3.58Å; K116-V161 WeakPolarHBondContact CA-O 3.49Å; K116-A190 HydrophobicContact CB-CB 3.94Å; K116-A190 HydrophobicContact CD-CB 4.37Å; K116-A190 HydrophobicContact CG-CB 3.75Å; K116-A190 WeakPolarHBondContact O-CB 3.08Å; K116-A190 PolarHBondContact O-N 2.79Å
117V87.5Confident72.5Confident1 Ų163 Ų631%0.00634%0.338CS..EExtended strand (participates in β ladder)trans-109138.3177.3-176.90000108.9V119 F160 V161 Y163 V169 I187V117-V119 HydrophobicContact CG1-CG2 4.28Å; V117-F160 CarbonylContact O-C 3.6Å; V117-F160 VanDerWaalsContact O-CA 3.23Å; V117-F160 WeakPolarHBondContact O-CA 3.48Å; V117-V161 PolarHBondContact N-O 2.87Å; V117-V161 PolarHBondContact O-N 3.44Å; V117-Y163 HydrophobicContact CG2-CD2 4.3Å; V117-Y163 HydrophobicContact CG2-CE2 4.16Å; V117-V169 HydrophobicContact CG2-CB 4.02Å; V117-V169 HydrophobicContact CG2-CG1 3.65Å; V117-V169 HydrophobicContact CG2-CG2 3.59Å; V117-I187 HydrophobicContact CG1-CG2 3.3Å
118F88.4Confident73.4Confident52 Ų5265 Ų6523%0.22834%0.343CS..EExtended strand (participates in β ladder)trans-91.8126.1168.1171.7-90.6000108.9F158 F160 I187 K188 A190F118-F158 HydrophobicContact CD2-CD2 4.21Å; F118-F158 HydrophobicContact CE2-CB 3.66Å; F118-F158 HydrophobicContact CE2-CD1 4.49Å; F118-F158 AromaticContact CE2-CD2 3.55Å; F118-F158 HydrophobicContact CE2-CD2 3.55Å; F118-F158 HydrophobicContact CE2-CE2 4.31Å; F118-F158 AromaticContact CE2-CG 3.68Å; F118-F158 HydrophobicContact CE2-CG 3.68Å; F118-F158 HydrophobicContact CZ-CB 3.74Å; F118-F158 HydrophobicContact CZ-CD2 4.43Å; F118-F158 HydrophobicContact CZ-CG 4.11Å; F118-F160 HydrophobicContact CB-CD1 4.19Å; F118-F160 HydrophobicContact CB-CE1 4.12Å; F118-F160 HydrophobicContact CD2-CD1 4.18Å; F118-F160 AromaticContact CD2-CE1 3.62Å; F118-F160 HydrophobicContact CD2-CE1 3.62Å; F118-F160 AromaticContact CD2-CZ 3.97Å; F118-F160 HydrophobicContact CD2-CZ 3.97Å; F118-F160 HydrophobicContact CG-CE1 4.37Å; F118-I187 WeakPolarHBondContact O-CA 3.47Å; F118-K188 HydrophobicContact CB-CB 4.37Å; F118-K188 HydrophobicContact CD1-CB 4.07Å; F118-K188 PolarHBondContact N-O 2.95Å; F118-K188 PolarHBondContact O-N 2.73Å; F118-A190 HydrophobicContact CB-CB 4.43Å
119V88.5Confident74.6Confident0 Ų065.4 Ų65.40%034%0.343CS..EExtended strand (participates in β ladder)trans-116.2103.6176.3-174.80000107.5V117 L122 F135 F158 C159 V161 C185 E186V117-V119 HydrophobicContact CG1-CG2 4.28Å; V119-L122 HydrophobicContact CB-CD1 4.26Å; V119-L122 HydrophobicContact CG1-CD1 3.81Å; V119-L122 HydrophobicContact CG1-CD2 4.09Å; V119-L122 HydrophobicContact CG1-CG 3.89Å; V119-F135 HydrophobicContact CB-CZ 4.28Å; V119-F135 HydrophobicContact CG1-CE2 4Å; V119-F135 HydrophobicContact CG1-CZ 3.64Å; V119-F135 HydrophobicContact CG2-CE1 4.11Å; V119-F135 HydrophobicContact CG2-CE2 4.08Å; V119-F135 HydrophobicContact CG2-CZ 3.63Å; V119-F158 CarbonylContact O-C 3.48Å; V119-F158 WeakPolarHBondContact O-CA 3.25Å; V119-F158 WeakPolarHBondContact O-CB 3.3Å; V119-C159 PolarHBondContact N-O 3.19Å; V119-C159 PolarHBondContact O-N 2.77Å; V119-V161 HydrophobicContact CG2-CG2 4.14Å; V119-C185 HydrophobicContact CG1-CB 3.65Å; V119-E186 WeakPolarHBondContact CA-O 3.27Å
120G86.7Confident76.3Confident7 Ų759.8 Ų59.87%0.07232%0.32CS..EExtended strand (participates in β ladder)trans-100.5160.2178.900000112.5C185 E186G120-C185 CarbonylContact O-C 3.4Å; G120-C185 WeakPolarHBondContact O-CA 3.19Å; G120-C185 VanDerWaalsContact O-CB 3.29Å; G120-C185 WeakPolarHBondContact O-CB 3.11Å; G120-E186 PolarHBondContact N-O 2.64Å; G120-E186 PolarHBondContact O-N 3.33Å
121G82.8Confident78.1Confident47 Ų4758.7 Ų58.749%0.48531%0.308SS..SBendtrans77.819.6177.700000114.2G157G121-G157 PolarHBondContact N-O 2.86Å
122L83.8Confident79.9Confident11 Ų1155.3 Ų55.36%0.05829%0.29CS..  trans-71.1143.5170.5-70.5169.1000109.8V119 I131 G157 C159 V180 C185V119-L122 HydrophobicContact CB-CD1 4.26Å; V119-L122 HydrophobicContact CG1-CD1 3.81Å; V119-L122 HydrophobicContact CG1-CD2 4.09Å; V119-L122 HydrophobicContact CG1-CG 3.89Å; L122-I131 HydrophobicContact CD1-CD1 3.81Å; L122-I131 HydrophobicContact CD1-CG1 4.39Å; L122-G157 PolarHBondContact N-O 3.3Å; L122-G157 WeakPolarHBondContact O-CA 3.15Å; L122-C159 HydrophobicContact CD1-CB 3.91Å; L122-C159 WeakPolarHBondContact CD1-SG 3.25Å; L122-V180 HydrophobicContact CD2-CB 4.01Å; L122-V180 HydrophobicContact CD2-CG1 4.27Å; L122-C185 HydrophobicContact CD2-CB 3.82Å; L122-C185 HydrophobicContact CG-CB 4.17Å
123S80.8Confident81.7Confident26 Ų2656.6 Ų56.618%0.18230%0.296CS..  trans-66.4139171.5-172.40000109.1D125 T126S123-D125 PolarHBondContact O-N 2.81Å; S123-T126 WeakPolarHBondContact CB-OG1 3.3Å; S123-T126 WeakPolarHBondContact O-CB 3.32Å; S123-T126 PolarHBondContact O-N 2.8Å; S123-T126 PolarHBondContact O-OG1 3.09Å
124P76.2Confident83.3Confident63 Ų6357.6 Ų57.641%0.40929%0.293SS..THydrogen-bonded Turntrans-61.3-23.6176.725.5-34.5000112.6T126 R155P124-T126 VanDerWaalsContact C-N 3.34Å; P124-R155 HydrophobicContact CB-CB 4.19Å; P124-R155 VanDerWaalsContact O-CD 3.29Å; P124-R155 WeakPolarHBondContact O-CD 3.19Å; P124-R155 PolarHBondContact O-NH1 3.41Å
125D79.4Confident84.6Confident132 Ų13255.6 Ų55.671%0.70628%0.281SS*.THydrogen-bonded Turntrans-79.1-14.8177.6-59.1-42.5000113.3S123 P127S123-D125 PolarHBondContact O-N 2.81Å; D125-P127 VanDerWaalsContact O-CD 3.29Å; D125-P127 WeakPolarHBondContact O-CD 3.25Å
126T80.8Confident85.1Confident4 Ų453.1 Ų53.13%0.02528%0.279CS..  trans-68.3115.4-177.6-60.80000110.8S123 P124 E130 I131 R155 V180S123-T126 WeakPolarHBondContact CB-OG1 3.3Å; S123-T126 WeakPolarHBondContact O-CB 3.32Å; S123-T126 PolarHBondContact O-N 2.8Å; S123-T126 PolarHBondContact O-OG1 3.09Å; P124-T126 VanDerWaalsContact C-N 3.34Å; T126-E130 HydrophobicContact CG2-CB 4.36Å; T126-E130 HydrophobicContact CG2-CG 4.44Å; T126-I131 HydrophobicContact CG2-CD1 4.12Å; T126-I131 HydrophobicContact CG2-CG1 3.8Å; T126-R155 PolarHBondContact O-NH1 3.49Å; T126-V180 HydrophobicContact CG2-CG1 4.16Å
127P83.5Confident85.2Confident46 Ų4654.6 Ų54.630%0.29930%0.302SS..  trans-70.8159.3-18031.3-35000112.3D125 E129 E130 I131D125-P127 VanDerWaalsContact O-CD 3.29Å; D125-P127 WeakPolarHBondContact O-CD 3.25Å; P127-E129 WeakPolarHBondContact CB-OE2 3.21Å; P127-E129 PolarHBondContact O-N 3.29Å; P127-E130 WeakPolarHBondContact CD-OE2 3.44Å; P127-E130 HydrophobicContact CG-CB 3.92Å; P127-E130 PolarHBondContact O-N 2.78Å; P127-I131 PolarHBondContact O-N 3.16Å
128E85.3Confident85Confident71 Ų7157.5 Ų57.533%0.33231%0.314SS..Hα-helixtrans-63.1-34.5179-179.3178152.800111.2E130 I131 R132 I144 L146E128-E130 VanDerWaalsContact C-N 3.32Å; E128-E130 PolarHBondContact O-N 3.07Å; E128-I131 CarbonylContact O-C 3.58Å; E128-I131 WeakPolarHBondContact O-CB 3.48Å; E128-I131 PolarHBondContact O-N 3.02Å; E128-R132 WeakPolarHBondContact O-CB 3.36Å; E128-R132 PolarHBondContact O-N 3.27Å; E128-I144 HydrophobicContact CG-CB 4.33Å; E128-I144 HydrophobicContact CG-CD1 4.07Å; E128-I144 HydrophobicContact CG-CG2 4.22Å; E128-L146 HydrophobicContact CB-CD1 3.7Å; E128-L146 HydrophobicContact CG-CD1 3.69Å
129E86.8Confident84.9Confident137 Ų13755.9 Ų55.964%0.6431%0.313SS*.Hα-helixtrans-59.3-43.2-179.4-65.875.7-170.100111.4P127 R132 E133P127-E129 WeakPolarHBondContact CB-OE2 3.21Å; P127-E129 PolarHBondContact O-N 3.29Å; E129-R132 PolarHBondContact O-N 3.25Å; E129-E133 WeakPolarHBondContact O-CB 3.23Å; E129-E133 PolarHBondContact O-N 3.25Å
130E86.9Confident84.8Confident70 Ų7061.9 Ų61.933%0.32735%0.345SS..Hα-helixtrans-68.5-38.3178.1-176.7173-163.100111.6T126 P127 E128 Y134 V180 G181T126-E130 HydrophobicContact CG2-CB 4.36Å; T126-E130 HydrophobicContact CG2-CG 4.44Å; P127-E130 WeakPolarHBondContact CD-OE2 3.44Å; P127-E130 HydrophobicContact CG-CB 3.92Å; P127-E130 PolarHBondContact O-N 2.78Å; E128-E130 VanDerWaalsContact C-N 3.32Å; E128-E130 PolarHBondContact O-N 3.07Å; E130-Y134 WeakPolarHBondContact O-CB 3.5Å; E130-Y134 PolarHBondContact O-N 3.18Å; E130-V180 HydrophobicContact CG-CG1 4.31Å; E130-G181 WeakPolarHBondContact OE1-CA 3.39Å; E130-G181 PolarHBondContact OE1-N 3.33Å; E130-G181 VanDerWaalsContact OE1-N 3.09Å
131I86.3Confident84.8Confident0 Ų062.4 Ų62.40%035%0.346CS..Hα-helixtrans-62.5-48.1173.2-65.6166.7000108.8L122 T126 P127 E128 E133 Y134 F135 I144 L146 V161 V180L122-I131 HydrophobicContact CD1-CD1 3.81Å; L122-I131 HydrophobicContact CD1-CG1 4.39Å; T126-I131 HydrophobicContact CG2-CD1 4.12Å; T126-I131 HydrophobicContact CG2-CG1 3.8Å; P127-I131 PolarHBondContact O-N 3.16Å; E128-I131 CarbonylContact O-C 3.58Å; E128-I131 WeakPolarHBondContact O-CB 3.48Å; E128-I131 PolarHBondContact O-N 3.02Å; I131-E133 PolarHBondContact O-N 3.44Å; I131-Y134 PolarHBondContact O-N 3.47Å; I131-F135 HydrophobicContact CB-CD2 4.36Å; I131-F135 HydrophobicContact CG2-CD2 3.49Å; I131-F135 VanDerWaalsContact CG2-CD2 3.49Å; I131-F135 HydrophobicContact CG2-CE2 3.89Å; I131-F135 VanDerWaalsContact O-CB 3.25Å; I131-F135 WeakPolarHBondContact O-CB 3.43Å; I131-F135 WeakPolarHBondContact O-CD2 3.38Å; I131-F135 PolarHBondContact O-N 3.29Å; I131-I144 HydrophobicContact CG2-CD1 4.26Å; I131-I144 HydrophobicContact CG2-CG2 4.33Å; I131-L146 HydrophobicContact CD1-CD2 3.7Å; I131-V161 HydrophobicContact CG2-CG2 4.31Å; I131-V180 HydrophobicContact CG1-CG1 4.25Å
132R88.7Confident85Confident128 Ų12865.1 Ų65.148%0.48335%0.349SS..Hα-helixtrans-63.3-39.6-179.6-169.2176-172.51206.9112.3E128 E129 G136 I141 I144E128-R132 WeakPolarHBondContact O-CB 3.36Å; E128-R132 PolarHBondContact O-N 3.27Å; E129-R132 PolarHBondContact O-N 3.25Å; R132-G136 WeakPolarHBondContact O-CA 3.4Å; R132-G136 PolarHBondContact O-N 2.82Å; R132-I141 HydrophobicContact CG-CD1 4.05Å; R132-I144 HydrophobicContact CB-CD1 3.68Å; R132-I144 HydrophobicContact CG-CD1 4.05Å
133E88.5Confident84.9Confident155 Ų15566.4 Ų66.472%0.72436%0.359SS*.Hα-helixtrans-65.7-48.1177.2-174.4174.1-17200111.2E129 I131 A137E129-E133 WeakPolarHBondContact O-CB 3.23Å; E129-E133 PolarHBondContact O-N 3.25Å; I131-E133 PolarHBondContact O-N 3.44Å; E133-A137 PolarHBondContact O-N 3.46Å
134Y88.5Confident85.1Confident75 Ų7566.2 Ų66.229%0.29436%0.356SS..Hα-helixtrans-65.9-49.7179.9-174.4-92.6000112.4E130 I131 A137 F138 H178 Q179 V180E130-Y134 WeakPolarHBondContact O-CB 3.5Å; E130-Y134 PolarHBondContact O-N 3.18Å; I131-Y134 PolarHBondContact O-N 3.47Å; Y134-A137 WeakPolarHBondContact O-CB 3.34Å; Y134-A137 PolarHBondContact O-N 3.18Å; Y134-F138 HydrophobicContact CD1-CE2 4.02Å; Y134-F138 AromaticContact CE1-CE2 3.65Å; Y134-F138 HydrophobicContact CE1-CE2 3.65Å; Y134-F138 HydrophobicContact CE1-CZ 4.21Å; Y134-F138 VanDerWaalsContact O-CD2 3.27Å; Y134-F138 WeakPolarHBondContact O-CD2 3.2Å; Y134-F138 WeakPolarHBondContact O-CE2 3.31Å; Y134-H178 HydrophobicContact CE1-CB 3.89Å; Y134-H178 AromaticContact CE1-ND1 3.52Å; Y134-H178 AromaticContact CZ-ND1 3.64Å; Y134-H178 PolarHBondContact OH-ND1 3.07Å; Y134-Q179 WeakPolarHBondContact CE2-O 3.45Å; Y134-V180 HydrophobicContact CD1-CG2 3.46Å; Y134-V180 VanDerWaalsContact CD1-CG2 3.46Å; Y134-V180 HydrophobicContact CD2-CG2 4.31Å; Y134-V180 HydrophobicContact CE1-CG2 3.75Å; Y134-V180 HydrophobicContact CG-CG2 3.76Å
135F87.3Confident85.5Confident0 Ų067.4 Ų67.40%036%0.356CS..Hα-helixtrans-75-28.5-178.1-76.5-64.9000112.4V119 I131 A137 F138 I141 V161 Y163 L172 V180 I187V119-F135 HydrophobicContact CB-CZ 4.28Å; V119-F135 HydrophobicContact CG1-CE2 4Å; V119-F135 HydrophobicContact CG1-CZ 3.64Å; V119-F135 HydrophobicContact CG2-CE1 4.11Å; V119-F135 HydrophobicContact CG2-CE2 4.08Å; V119-F135 HydrophobicContact CG2-CZ 3.63Å; I131-F135 HydrophobicContact CB-CD2 4.36Å; I131-F135 HydrophobicContact CG2-CD2 3.49Å; I131-F135 VanDerWaalsContact CG2-CD2 3.49Å; I131-F135 HydrophobicContact CG2-CE2 3.89Å; I131-F135 VanDerWaalsContact O-CB 3.25Å; I131-F135 WeakPolarHBondContact O-CB 3.43Å; I131-F135 WeakPolarHBondContact O-CD2 3.38Å; I131-F135 PolarHBondContact O-N 3.29Å; F135-A137 PolarHBondContact O-N 2.98Å; F135-F138 WeakPolarHBondContact O-CB 3.37Å; F135-F138 PolarHBondContact O-N 2.78Å; F135-F138 VanDerWaalsContact O-N 3.07Å; F135-I141 HydrophobicContact CB-CD1 3.8Å; F135-V161 HydrophobicContact CB-CG1 4.46Å; F135-V161 HydrophobicContact CD2-CG2 4.24Å; F135-V161 HydrophobicContact CG-CG2 4.38Å; F135-Y163 VanDerWaalsContact CB-OH 3.23Å; F135-Y163 WeakPolarHBondContact CB-OH 3.49Å; F135-Y163 WeakPolarHBondContact CD1-OH 3.44Å; F135-Y163 PolarHBondContact O-OH 2.81Å; F135-L172 HydrophobicContact CD1-CD1 3.95Å; F135-L172 HydrophobicContact CD1-CD2 4.08Å; F135-L172 HydrophobicContact CE1-CD1 4.25Å; F135-L172 HydrophobicContact CE1-CD2 4.02Å; F135-V180 HydrophobicContact CE2-CG2 4.09Å; F135-V180 HydrophobicContact CZ-CG2 4.26Å; F135-I187 HydrophobicContact CE1-CD1 3.72Å; F135-I187 HydrophobicContact CZ-CD1 4.28Å
136G85.3Confident85.8Confident33 Ų3362.7 Ų62.734%0.3433%0.331SS..Hα-helixtrans-64.7-26.5173.900000113R132 F138 G139R132-G136 WeakPolarHBondContact O-CA 3.4Å; R132-G136 PolarHBondContact O-N 2.82Å; G136-F138 PolarHBondContact O-N 3.31Å; G136-G139 WeakPolarHBondContact CA-O 3.27Å; G136-G139 PolarHBondContact O-N 3.27Å
137A86.9Confident85.7Confident88 Ų8864.3 Ų64.373%0.72734%0.341SS*.THydrogen-bonded Turntrans-64-2217300000113.3E133 Y134 F135E133-A137 PolarHBondContact O-N 3.46Å; Y134-A137 WeakPolarHBondContact O-CB 3.34Å; Y134-A137 PolarHBondContact O-N 3.18Å; F135-A137 PolarHBondContact O-N 2.98Å
138F84.1Confident85.5Confident62 Ų6266.8 Ų66.827%0.27235%0.35SS..THydrogen-bonded Turntrans-88.6-24.1178.1-64-91.4000112.8Y134 F135 G136 P168 L172 H178Y134-F138 HydrophobicContact CD1-CE2 4.02Å; Y134-F138 AromaticContact CE1-CE2 3.65Å; Y134-F138 HydrophobicContact CE1-CE2 3.65Å; Y134-F138 HydrophobicContact CE1-CZ 4.21Å; Y134-F138 VanDerWaalsContact O-CD2 3.27Å; Y134-F138 WeakPolarHBondContact O-CD2 3.2Å; Y134-F138 WeakPolarHBondContact O-CE2 3.31Å; F135-F138 WeakPolarHBondContact O-CB 3.37Å; F135-F138 PolarHBondContact O-N 2.78Å; F135-F138 VanDerWaalsContact O-N 3.07Å; G136-F138 PolarHBondContact O-N 3.31Å; F138-P168 HydrophobicContact CB-CB 4.21Å; F138-P168 WeakPolarHBondContact O-CB 3.37Å; F138-P168 WeakPolarHBondContact O-CG 2.89Å; F138-L172 HydrophobicContact CB-CD2 4.46Å; F138-L172 HydrophobicContact CB-CG 4.45Å; F138-L172 HydrophobicContact CD1-CD2 3.76Å; F138-L172 HydrophobicContact CD1-CG 4.23Å; F138-L172 HydrophobicContact CD2-CD2 3.8Å; F138-L172 HydrophobicContact CE1-CD2 3.86Å; F138-L172 HydrophobicContact CE2-CD2 3.91Å; F138-L172 HydrophobicContact CG-CD2 3.73Å; F138-L172 HydrophobicContact CG-CG 4.19Å; F138-L172 HydrophobicContact CZ-CD2 3.94Å; F138-H178 AromaticContact CZ-CE1 3.68Å; F138-H178 AromaticContact CZ-ND1 3.92Å
139G85.4Confident85.1Confident19 Ų1966.1 Ų66.120%0.19635%0.349CS..SBendtrans162.6-178.7172.800000113.4G136 I141G136-G139 WeakPolarHBondContact CA-O 3.27Å; G136-G139 PolarHBondContact O-N 3.27Å; G139-I141 PolarHBondContact O-N 2.99Å
140D86.4Confident84.5Confident125 Ų12566.3 Ų66.367%0.66836%0.359SS*.  trans-69.9119-174.9-65.7-41.9000112.2Y163 C164D140-Y163 WeakPolarHBondContact O-CA 3.23Å; D140-Y163 WeakPolarHBondContact O-CD1 3.07Å; D140-C164 HydrophobicContact CB-CB 4.36Å; D140-C164 PolarHBondContact O-N 3.37Å
141I88.1Confident83.8Confident19 Ų1972 Ų7210%0.09738%0.383CS..EExtended strand (participates in β ladder)trans-86.5125.3178.3-58.7168.2000109.4R132 F135 G139 I144 V161 T162 Y163R132-I141 HydrophobicContact CG-CD1 4.05Å; F135-I141 HydrophobicContact CB-CD1 3.8Å; G139-I141 PolarHBondContact O-N 2.99Å; I141-I144 HydrophobicContact CD1-CD1 4.22Å; I141-I144 HydrophobicContact CG2-CD1 4.25Å; I141-I144 HydrophobicContact CG2-CG1 3.68Å; I141-V161 HydrophobicContact CD1-CG1 4.21Å; I141-V161 HydrophobicContact CG1-CG1 4.03Å; I141-V161 HydrophobicContact CG2-CG1 3.84Å; I141-T162 WeakPolarHBondContact CG2-O 3.18Å; I141-Y163 HydrophobicContact CG1-CD1 4.09Å; I141-Y163 HydrophobicContact CG1-CE1 3.7Å
142D85.6Confident83.1Confident103 Ų10375.6 Ų75.655%0.55141%0.405SS*.EExtended strand (participates in β ladder)trans-78-51.7172.4174.181.7000111T162D142-T162 HydrophobicContact CB-CG2 4.32Å; D142-T162 WeakPolarHBondContact CB-O 3.37Å; D142-T162 PolarHBondContact N-O 2.79Å
143S82.4Confident82.2Confident39 Ų3975.6 Ų75.627%0.27342%0.415SS..EExtended strand (participates in β ladder)trans-153.3145.3-176.9490000113.2T162S143-T162 PolarHBondContact N-O 3.39Å; S143-T162 VanDerWaalsContact N-O 3.17Å; S143-T162 PolarHBondContact O-N 2.8Å; S143-T162 VanDerWaalsContact OG-CB 3.27Å; S143-T162 WeakPolarHBondContact OG-CB 3.37Å; S143-T162 PolarHBondContact OG-OG1 3.46Å
144I85.6Confident81.5Confident22 Ų2274.1 Ų74.111%0.11341%0.408CS..EExtended strand (participates in β ladder)trans-118125.6173-54.4177.4000108.3E128 I131 R132 I141 L146 F160E128-I144 HydrophobicContact CG-CB 4.33Å; E128-I144 HydrophobicContact CG-CD1 4.07Å; E128-I144 HydrophobicContact CG-CG2 4.22Å; I131-I144 HydrophobicContact CG2-CD1 4.26Å; I131-I144 HydrophobicContact CG2-CG2 4.33Å; R132-I144 HydrophobicContact CB-CD1 3.68Å; R132-I144 HydrophobicContact CG-CD1 4.05Å; I141-I144 HydrophobicContact CD1-CD1 4.22Å; I141-I144 HydrophobicContact CG2-CD1 4.25Å; I141-I144 HydrophobicContact CG2-CG1 3.68Å; I144-L146 HydrophobicContact CG2-CD1 3.74Å; I144-L146 HydrophobicContact CG2-CG 4.22Å; I144-F160 CarbonylContact C-O 3.6Å; I144-F160 WeakPolarHBondContact CA-O 3.48Å
145E85Confident80.7Confident87 Ų8774.2 Ų74.241%0.40741%0.408SS..EExtended strand (participates in β ladder)trans-110.7121.4174.2-68.4171.3-141.400109.4K116 P147 C159 F160K116-E145 IonicContact NZ-OE1 2.69Å; K116-E145 PolarHBondContact NZ-OE1 3.46Å; K116-E145 IonicContact NZ-OE2 2.65Å; K116-E145 PolarHBondContact NZ-OE2 2.85Å; E145-P147 VanDerWaalsContact O-CD 3.31Å; E145-P147 WeakPolarHBondContact O-CD 3.34Å; E145-C159 CarbonylContact O-C 3.55Å; E145-C159 VanDerWaalsContact O-CA 3.27Å; E145-C159 WeakPolarHBondContact O-CA 3.47Å; E145-C159 WeakPolarHBondContact O-CB 3.4Å; E145-F160 HydrophobicContact CB-CB 4.27Å; E145-F160 HydrophobicContact CB-CD2 4.41Å; E145-F160 PolarHBondContact N-O 3.28Å; E145-F160 PolarHBondContact O-N 3.37Å
146L84.3Confident80Confident34 Ų3480.7 Ų80.718%0.17843%0.432CS..  trans-114.189.3175.3-70.9123.7000110.3E128 I131 I144 M148 C159E128-L146 HydrophobicContact CB-CD1 3.7Å; E128-L146 HydrophobicContact CG-CD1 3.69Å; I131-L146 HydrophobicContact CD1-CD2 3.7Å; I144-L146 HydrophobicContact CG2-CD1 3.74Å; I144-L146 HydrophobicContact CG2-CG 4.22Å; L146-M148 PolarHBondContact O-N 3.08Å; L146-C159 HydrophobicContact CD2-CB 3.82Å; L146-C159 HydrophobicContact CG-CB 3.84Å
147P79.1Confident79.7Confident38 Ų3880 Ų8025%0.24743%0.425CS..PPolyproline II helixtrans-63.2119.6177.4-25.737.8000111.8E145 R156 F158 F160E145-P147 VanDerWaalsContact O-CD 3.31Å; E145-P147 WeakPolarHBondContact O-CD 3.34Å; P147-R156 WeakPolarHBondContact O-CG 3.38Å; P147-R156 PolarHBondContact O-N 3.44Å; P147-F158 HydrophobicContact CB-CE2 4.07Å; P147-F158 HydrophobicContact CB-CZ 4.09Å; P147-F158 HydrophobicContact CG-CD2 4.46Å; P147-F158 HydrophobicContact CG-CE2 3.71Å; P147-F158 HydrophobicContact CG-CZ 4.23Å; P147-F160 HydrophobicContact CG-CD2 4.26Å; P147-F160 HydrophobicContact CG-CE2 4.11Å
148M80.4Confident79.6Confident98 Ų9877.6 Ų77.648%0.48340%0.398SS..BIsolated β-bridgetrans-88.8149.1171.3-61.1175.9-176.900110.1L146 T150 R155L146-M148 PolarHBondContact O-N 3.08Å; M148-T150 PolarHBondContact O-N 3.01Å; M148-R155 HydrophobicContact CG-CG 4.48Å
149D76.8Confident79.7Confident57 Ų5774.6 Ų74.631%0.30539%0.385SS..PPolyproline II helixtrans-70.7124170.4-165.3-34.2000108.6K151 N153 E154 R156D149-K151 PolarHBondContact O-N 3.48Å; D149-K151 PolarHBondContact OD1-N 3.27Å; D149-N153 WeakPolarHBondContact O-CA 3.42Å; D149-N153 PolarHBondContact O-N 3.35Å; D149-E154 PolarHBondContact N-O 3.03Å; D149-R156 HydrophobicContact CB-CG 4.03Å
150T72.4Confident79.9Confident140 Ų14075.5 Ų75.586%0.85938%0.384SS*.THydrogen-bonded Turntrans-70-12-177.855.50000113.3M148M148-T150 PolarHBondContact O-N 3.01Å
151K73.2Confident80Confident190 Ų19069.6 Ų69.683%0.82635%0.352SS*.THydrogen-bonded Turntrans-97.1-40.9-178.8-63-177.9-179.1-179.90113.4D149D149-K151 PolarHBondContact O-N 3.48Å; D149-K151 PolarHBondContact OD1-N 3.27Å
152T72.3Confident79.9Confident76 Ų7669.8 Ų69.847%0.46635%0.354SS..THydrogen-bonded Turntrans-104.4-9.8-178.362.60000112.7E154T152-E154 WeakPolarHBondContact CB-OE2 3.42Å; T152-E154 PolarHBondContact O-N 3.13Å; T152-E154 VanDerWaalsContact O-N 3.16Å; T152-E154 WeakPolarHBondContact OG1-CB 3.27Å; T152-E154 PolarHBondContact OG1-N 3.39Å; T152-E154 PolarHBondContact OG1-OE2 3.42Å; T152-E154 VanDerWaalsContact OG1-OE2 3.14Å
153N69.5Low80Confident128 Ų12865 Ų6568%0.68433%0.328SS*.  trans56.219.6-171.5-146.93.1000113.3D149D149-N153 WeakPolarHBondContact O-CA 3.42Å; D149-N153 PolarHBondContact O-N 3.35Å
154E72.4Confident79.9Confident124 Ų12465.7 Ų65.758%0.57933%0.332SS*.  trans-92.5149.4177.1-65.2172.3144.500109.8D149 T152 R156D149-E154 PolarHBondContact N-O 3.03Å; T152-E154 WeakPolarHBondContact CB-OE2 3.42Å; T152-E154 PolarHBondContact O-N 3.13Å; T152-E154 VanDerWaalsContact O-N 3.16Å; T152-E154 WeakPolarHBondContact OG1-CB 3.27Å; T152-E154 PolarHBondContact OG1-N 3.39Å; T152-E154 PolarHBondContact OG1-OE2 3.42Å; T152-E154 VanDerWaalsContact OG1-OE2 3.14Å; E154-R156 PolarHBondContact O-N 3.35Å
155R73.5Confident79.5Confident76 Ų7670.2 Ų70.229%0.28735%0.353SS..BIsolated β-bridgetrans-67134.7175.9-62.5-169.7-178.8128.9-14109.5P124 T126 M148 G157P124-R155 HydrophobicContact CB-CB 4.19Å; P124-R155 VanDerWaalsContact O-CD 3.29Å; P124-R155 WeakPolarHBondContact O-CD 3.19Å; P124-R155 PolarHBondContact O-NH1 3.41Å; T126-R155 PolarHBondContact O-NH1 3.49Å; M148-R155 HydrophobicContact CG-CG 4.48Å; R155-G157 PolarHBondContact O-N 3.38Å
156R70.7Confident79.3Confident137 Ų13770.6 Ų70.652%0.51736%0.355SS..  trans-7313.7-175.9-63.5-179.166.6-175.6-1.6114.5P147 D149 E154 F158P147-R156 WeakPolarHBondContact O-CG 3.38Å; P147-R156 PolarHBondContact O-N 3.44Å; D149-R156 HydrophobicContact CB-CG 4.03Å; E154-R156 PolarHBondContact O-N 3.35Å; R156-F158 HydrophobicContact CB-CD1 3.67Å; R156-F158 HydrophobicContact CB-CE1 3.31Å; R156-F158 HydrophobicContact CB-CZ 4.11Å; R156-F158 HydrophobicContact CG-CE1 4.25Å; R156-F158 VanDerWaalsContact O-CD1 3.24Å; R156-F158 WeakPolarHBondContact O-CD1 3.42Å; R156-F158 PolarHBondContact O-N 3.36Å
157G79.1Confident79.2Confident18 Ų1872.5 Ų72.519%0.18637%0.368CS..SBendtrans65.921-178.200000114.2G121 L122 R155G121-G157 PolarHBondContact N-O 2.86Å; L122-G157 PolarHBondContact N-O 3.3Å; L122-G157 WeakPolarHBondContact O-CA 3.15Å; R155-G157 PolarHBondContact O-N 3.38Å
158F85.4Confident79.4Confident37 Ų3771 Ų7116%0.16236%0.358CS..EExtended strand (participates in β ladder)trans-146.1153.3172.868.6-93.3000111.4F118 V119 P147 R156 F160F118-F158 HydrophobicContact CD2-CD2 4.21Å; F118-F158 HydrophobicContact CE2-CB 3.66Å; F118-F158 HydrophobicContact CE2-CD1 4.49Å; F118-F158 AromaticContact CE2-CD2 3.55Å; F118-F158 HydrophobicContact CE2-CD2 3.55Å; F118-F158 HydrophobicContact CE2-CE2 4.31Å; F118-F158 AromaticContact CE2-CG 3.68Å; F118-F158 HydrophobicContact CE2-CG 3.68Å; F118-F158 HydrophobicContact CZ-CB 3.74Å; F118-F158 HydrophobicContact CZ-CD2 4.43Å; F118-F158 HydrophobicContact CZ-CG 4.11Å; V119-F158 CarbonylContact O-C 3.48Å; V119-F158 WeakPolarHBondContact O-CA 3.25Å; V119-F158 WeakPolarHBondContact O-CB 3.3Å; P147-F158 HydrophobicContact CB-CE2 4.07Å; P147-F158 HydrophobicContact CB-CZ 4.09Å; P147-F158 HydrophobicContact CG-CD2 4.46Å; P147-F158 HydrophobicContact CG-CE2 3.71Å; P147-F158 HydrophobicContact CG-CZ 4.23Å; R156-F158 HydrophobicContact CB-CD1 3.67Å; R156-F158 HydrophobicContact CB-CE1 3.31Å; R156-F158 HydrophobicContact CB-CZ 4.11Å; R156-F158 HydrophobicContact CG-CE1 4.25Å; R156-F158 VanDerWaalsContact O-CD1 3.24Å; R156-F158 WeakPolarHBondContact O-CD1 3.42Å; R156-F158 PolarHBondContact O-N 3.36Å; F158-F160 HydrophobicContact CD2-CE2 4.07Å; F158-F160 HydrophobicContact CD2-CZ 4.42Å; F158-F160 HydrophobicContact CE2-CD2 4.49Å; F158-F160 AromaticContact CE2-CE2 3.69Å; F158-F160 HydrophobicContact CE2-CE2 3.69Å; F158-F160 HydrophobicContact CE2-CZ 4.13Å
159C87.1Confident79.5Confident0 Ų066.7 Ų66.70%034%0.338CS..EExtended strand (participates in β ladder)trans-133.1167.317076.70000110.7V119 L122 E145 L146V119-C159 PolarHBondContact N-O 3.19Å; V119-C159 PolarHBondContact O-N 2.77Å; L122-C159 HydrophobicContact CD1-CB 3.91Å; L122-C159 WeakPolarHBondContact CD1-SG 3.25Å; E145-C159 CarbonylContact O-C 3.55Å; E145-C159 VanDerWaalsContact O-CA 3.27Å; E145-C159 WeakPolarHBondContact O-CA 3.47Å; E145-C159 WeakPolarHBondContact O-CB 3.4Å; L146-C159 HydrophobicContact CD2-CB 3.82Å; L146-C159 HydrophobicContact CG-CB 3.84Å
160F88.8Confident79.7Confident38 Ų3869.8 Ų69.817%0.16735%0.35CS..EExtended strand (participates in β ladder)trans-115.8135.2165.4-57.7-89.2000109.9K116 V117 F118 I144 E145 P147 F158 A190K116-F160 HydrophobicContact CD-CB 4.22Å; K116-F160 HydrophobicContact CD-CD1 4.44Å; K116-F160 VanDerWaalsContact CE-CG 3.4Å; K116-F160 HydrophobicContact CG-CB 4.04Å; K116-F160 HydrophobicContact CG-CD1 4.34Å; V117-F160 CarbonylContact O-C 3.6Å; V117-F160 VanDerWaalsContact O-CA 3.23Å; V117-F160 WeakPolarHBondContact O-CA 3.48Å; F118-F160 HydrophobicContact CB-CD1 4.19Å; F118-F160 HydrophobicContact CB-CE1 4.12Å; F118-F160 HydrophobicContact CD2-CD1 4.18Å; F118-F160 AromaticContact CD2-CE1 3.62Å; F118-F160 HydrophobicContact CD2-CE1 3.62Å; F118-F160 AromaticContact CD2-CZ 3.97Å; F118-F160 HydrophobicContact CD2-CZ 3.97Å; F118-F160 HydrophobicContact CG-CE1 4.37Å; I144-F160 CarbonylContact C-O 3.6Å; I144-F160 WeakPolarHBondContact CA-O 3.48Å; E145-F160 HydrophobicContact CB-CB 4.27Å; E145-F160 HydrophobicContact CB-CD2 4.41Å; E145-F160 PolarHBondContact N-O 3.28Å; E145-F160 PolarHBondContact O-N 3.37Å; P147-F160 HydrophobicContact CG-CD2 4.26Å; P147-F160 HydrophobicContact CG-CE2 4.11Å; F158-F160 HydrophobicContact CD2-CE2 4.07Å; F158-F160 HydrophobicContact CD2-CZ 4.42Å; F158-F160 HydrophobicContact CE2-CD2 4.49Å; F158-F160 AromaticContact CE2-CE2 3.69Å; F158-F160 HydrophobicContact CE2-CE2 3.69Å; F158-F160 HydrophobicContact CE2-CZ 4.13Å; F160-A190 HydrophobicContact CD1-CB 3.98Å; F160-A190 HydrophobicContact CE1-CB 4.21Å
161V88.6Confident80.2Confident1 Ų168.4 Ų68.41%0.00633%0.332CS..EExtended strand (participates in β ladder)trans-117.2121.5176.6-176.80000107.9K116 V117 V119 I131 F135 I141 Y163K116-V161 CarbonylContact C-O 3.58Å; K116-V161 WeakPolarHBondContact CA-O 3.49Å; V117-V161 PolarHBondContact N-O 2.87Å; V117-V161 PolarHBondContact O-N 3.44Å; V119-V161 HydrophobicContact CG2-CG2 4.14Å; I131-V161 HydrophobicContact CG2-CG2 4.31Å; F135-V161 HydrophobicContact CB-CG1 4.46Å; F135-V161 HydrophobicContact CD2-CG2 4.24Å; F135-V161 HydrophobicContact CG-CG2 4.38Å; I141-V161 HydrophobicContact CD1-CG1 4.21Å; I141-V161 HydrophobicContact CG1-CG1 4.03Å; I141-V161 HydrophobicContact CG2-CG1 3.84Å; V161-Y163 HydrophobicContact CB-CE2 4.25Å; V161-Y163 HydrophobicContact CG1-CD2 4.16Å; V161-Y163 HydrophobicContact CG1-CE1 4.46Å; V161-Y163 HydrophobicContact CG1-CE2 3.6Å
162T85.6Confident80.6Confident23 Ų2359.4 Ų59.414%0.14129%0.293CS..EExtended strand (participates in β ladder)trans-101.8125.3173.6-480000108.8K115 I141 D142 S143K115-T162 HydrophobicContact CB-CG2 4.25Å; K115-T162 CarbonylContact O-C 3.6Å; K115-T162 VanDerWaalsContact O-CA 3.3Å; K115-T162 WeakPolarHBondContact O-CA 3.28Å; I141-T162 WeakPolarHBondContact CG2-O 3.18Å; D142-T162 HydrophobicContact CB-CG2 4.32Å; D142-T162 WeakPolarHBondContact CB-O 3.37Å; D142-T162 PolarHBondContact N-O 2.79Å; S143-T162 PolarHBondContact N-O 3.39Å; S143-T162 VanDerWaalsContact N-O 3.17Å; S143-T162 PolarHBondContact O-N 2.8Å; S143-T162 VanDerWaalsContact OG-CB 3.27Å; S143-T162 WeakPolarHBondContact OG-CB 3.37Å; S143-T162 PolarHBondContact OG-OG1 3.46Å
163Y87.5Confident81.1Confident1 Ų158.6 Ų58.60%0.00429%0.286CS..EExtended strand (participates in β ladder)trans-96.9155.4175.5-70.6-88000111.7K115 V117 F135 D140 I141 V161 E165 P168 V169 L172K115-Y163 WeakPolarHBondContact CB-O 3.29Å; K115-Y163 PolarHBondContact O-N 3.16Å; V117-Y163 HydrophobicContact CG2-CD2 4.3Å; V117-Y163 HydrophobicContact CG2-CE2 4.16Å; F135-Y163 VanDerWaalsContact CB-OH 3.23Å; F135-Y163 WeakPolarHBondContact CB-OH 3.49Å; F135-Y163 WeakPolarHBondContact CD1-OH 3.44Å; F135-Y163 PolarHBondContact O-OH 2.81Å; D140-Y163 WeakPolarHBondContact O-CA 3.23Å; D140-Y163 WeakPolarHBondContact O-CD1 3.07Å; I141-Y163 HydrophobicContact CG1-CD1 4.09Å; I141-Y163 HydrophobicContact CG1-CE1 3.7Å; V161-Y163 HydrophobicContact CB-CE2 4.25Å; V161-Y163 HydrophobicContact CG1-CD2 4.16Å; V161-Y163 HydrophobicContact CG1-CE1 4.46Å; V161-Y163 HydrophobicContact CG1-CE2 3.6Å; Y163-E165 VanDerWaalsContact C-N 3.3Å; Y163-E165 WeakPolarHBondContact CB-O 3.17Å; Y163-P168 HydrophobicContact CD1-CB 3.56Å; Y163-P168 HydrophobicContact CD1-CG 3.81Å; Y163-P168 HydrophobicContact CD2-CB 4.3Å; Y163-P168 HydrophobicContact CE1-CB 3.66Å; Y163-P168 HydrophobicContact CE1-CG 4.3Å; Y163-P168 HydrophobicContact CE2-CB 4.39Å; Y163-P168 HydrophobicContact CG-CB 3.9Å; Y163-P168 HydrophobicContact CG-CG 4.22Å; Y163-V169 HydrophobicContact CD2-CG2 3.76Å; Y163-V169 HydrophobicContact CE2-CG2 4.49Å; Y163-V169 HydrophobicContact CG-CG2 4.42Å; Y163-L172 HydrophobicContact CE2-CD1 3.7Å; Y163-L172 WeakPolarHBondContact OH-CD1 3.24Å
164C80.5Confident81.6Confident54 Ų5459.6 Ų59.637%0.36529%0.286SS..SBendtrans-64.7-40.8169-64.50000110.8K115 D140K115-C164 PolarHBondContact NZ-O 3.01Å; D140-C164 HydrophobicContact CB-CB 4.36Å; D140-C164 PolarHBondContact O-N 3.37Å
165E78.3Confident81.9Confident118 Ų11857.1 Ų57.155%0.55128%0.282SS*.SBendtrans-111.9157.6-174.5-67.3-62.115300112.3Y163 P168Y163-E165 VanDerWaalsContact C-N 3.3Å; Y163-E165 WeakPolarHBondContact CB-O 3.17Å; E165-P168 WeakPolarHBondContact O-CD 3.44Å
166E79.5Confident82.1Confident94 Ų9461.5 Ų61.544%0.43930%0.299SS..SBendtrans-85.2-23.3177.664174.313500113.7P113 P168 V169 Q170P113-E166 HydrophobicContact CB-CB 4.34Å; P113-E166 WeakPolarHBondContact CB-OE2 3.46Å; P113-E166 HydrophobicContact CG-CB 4.06Å; P113-E166 HydrophobicContact CG-CG 4.48Å; P113-E166 WeakPolarHBondContact CG-OE2 3.5Å; E166-P168 VanDerWaalsContact C-CD 3.45Å; E166-V169 WeakPolarHBondContact O-CB 3.5Å; E166-V169 PolarHBondContact O-N 3.36Å; E166-V169 VanDerWaalsContact O-N 3.07Å; E166-Q170 PolarHBondContact O-N 3.38Å
167T81.8Confident82.8Confident75 Ų7561.4 Ų61.446%0.4630%0.299SS..Hα-helixtrans-56.3-41.8-178.4-49.10000113.7V169 Q170 K171T167-V169 VanDerWaalsContact C-N 3.32Å; T167-V169 PolarHBondContact O-N 3.43Å; T167-Q170 PolarHBondContact O-N 3.31Å; T167-K171 PolarHBondContact O-N 3Å
168P83.6Confident83Confident6 Ų661.2 Ų61.24%0.03929%0.293CS..Hα-helixtrans-62.8-39175.9-22.735.7000112.2F138 Y163 E165 E166 Q170 K171 L172F138-P168 HydrophobicContact CB-CB 4.21Å; F138-P168 WeakPolarHBondContact O-CB 3.37Å; F138-P168 WeakPolarHBondContact O-CG 2.89Å; Y163-P168 HydrophobicContact CD1-CB 3.56Å; Y163-P168 HydrophobicContact CD1-CG 3.81Å; Y163-P168 HydrophobicContact CD2-CB 4.3Å; Y163-P168 HydrophobicContact CE1-CB 3.66Å; Y163-P168 HydrophobicContact CE1-CG 4.3Å; Y163-P168 HydrophobicContact CE2-CB 4.39Å; Y163-P168 HydrophobicContact CG-CB 3.9Å; Y163-P168 HydrophobicContact CG-CG 4.22Å; E165-P168 WeakPolarHBondContact O-CD 3.44Å; E166-P168 VanDerWaalsContact C-CD 3.45Å; P168-Q170 PolarHBondContact O-N 3.2Å; P168-K171 PolarHBondContact O-N 2.88Å; P168-L172 WeakPolarHBondContact O-CB 3.36Å; P168-L172 VanDerWaalsContact O-CG 3.25Å; P168-L172 WeakPolarHBondContact O-CG 3.44Å; P168-L172 PolarHBondContact O-N 2.82Å
169V82.9Confident82.9Confident8 Ų866.1 Ų66.15%0.04832%0.317CS..Hα-helixtrans-62.6-44.2179.81780000111.1V117 Y163 E166 T167 L172 L173V117-V169 HydrophobicContact CG2-CB 4.02Å; V117-V169 HydrophobicContact CG2-CG1 3.65Å; V117-V169 HydrophobicContact CG2-CG2 3.59Å; Y163-V169 HydrophobicContact CD2-CG2 3.76Å; Y163-V169 HydrophobicContact CE2-CG2 4.49Å; Y163-V169 HydrophobicContact CG-CG2 4.42Å; E166-V169 WeakPolarHBondContact O-CB 3.5Å; E166-V169 PolarHBondContact O-N 3.36Å; E166-V169 VanDerWaalsContact O-N 3.07Å; T167-V169 VanDerWaalsContact C-N 3.32Å; T167-V169 PolarHBondContact O-N 3.43Å; V169-L172 PolarHBondContact O-N 3.32Å; V169-L173 HydrophobicContact CG1-CD1 3.87Å; V169-L173 HydrophobicContact CG1-CG 4.38Å; V169-L173 VanDerWaalsContact O-CG 3.28Å; V169-L173 WeakPolarHBondContact O-CG 3.11Å; V169-L173 PolarHBondContact O-N 3.47Å
170Q80.8Confident82.5Confident122 Ų12266.2 Ų66.257%0.5732%0.317SS*.Hα-helixtrans-62.5-45.3179.6-172.8172-5.400111.7E166 T167 P168 L172 L173 E174E166-Q170 PolarHBondContact O-N 3.38Å; T167-Q170 PolarHBondContact O-N 3.31Å; P168-Q170 PolarHBondContact O-N 3.2Å; Q170-L172 VanDerWaalsContact C-N 3.33Å; Q170-L172 PolarHBondContact O-N 2.79Å; Q170-L173 PolarHBondContact O-N 3.27Å; Q170-L173 VanDerWaalsContact O-N 3.16Å; Q170-E174 PolarHBondContact O-N 2.89Å
171K82.4Confident81.8Confident111 Ų11165.9 Ų65.948%0.48333%0.325SS..Hα-helixtrans-61.4-39.9176.4-69.5177.7179.5177.10112.5T167 P168 L173 E174T167-K171 PolarHBondContact O-N 3Å; P168-K171 PolarHBondContact O-N 2.88Å; K171-L173 VanDerWaalsContact C-N 3.31Å; K171-L173 PolarHBondContact O-N 2.87Å; K171-E174 WeakPolarHBondContact O-CB 3.29Å; K171-E174 PolarHBondContact O-N 2.88Å
172L83.4Confident81Confident0 Ų070.6 Ų70.60%036%0.358CS..Hα-helixtrans-69-28.3176.8-71.3170.8000113F135 F138 Y163 P168 V169 Q170 C175 I187F135-L172 HydrophobicContact CD1-CD1 3.95Å; F135-L172 HydrophobicContact CD1-CD2 4.08Å; F135-L172 HydrophobicContact CE1-CD1 4.25Å; F135-L172 HydrophobicContact CE1-CD2 4.02Å; F138-L172 HydrophobicContact CB-CD2 4.46Å; F138-L172 HydrophobicContact CB-CG 4.45Å; F138-L172 HydrophobicContact CD1-CD2 3.76Å; F138-L172 HydrophobicContact CD1-CG 4.23Å; F138-L172 HydrophobicContact CD2-CD2 3.8Å; F138-L172 HydrophobicContact CE1-CD2 3.86Å; F138-L172 HydrophobicContact CE2-CD2 3.91Å; F138-L172 HydrophobicContact CG-CD2 3.73Å; F138-L172 HydrophobicContact CG-CG 4.19Å; F138-L172 HydrophobicContact CZ-CD2 3.94Å; Y163-L172 HydrophobicContact CE2-CD1 3.7Å; Y163-L172 WeakPolarHBondContact OH-CD1 3.24Å; P168-L172 WeakPolarHBondContact O-CB 3.36Å; P168-L172 VanDerWaalsContact O-CG 3.25Å; P168-L172 WeakPolarHBondContact O-CG 3.44Å; P168-L172 PolarHBondContact O-N 2.82Å; V169-L172 PolarHBondContact O-N 3.32Å; Q170-L172 VanDerWaalsContact C-N 3.33Å; Q170-L172 PolarHBondContact O-N 2.79Å; L172-C175 CarbonylContact O-C 3.37Å; L172-I187 HydrophobicContact CB-CD1 3.83Å; L172-I187 HydrophobicContact CB-CG2 4.2Å; L172-I187 HydrophobicContact CD1-CD1 4.47Å; L172-I187 HydrophobicContact CD2-CD1 3.66Å; L172-I187 HydrophobicContact CG-CD1 4.18Å
173L81.6Confident80.5Confident60 Ų6070 Ų7031%0.31436%0.356SS..Hα-helixtrans-77.9-23.3176.5-70.6170000113V169 Q170 K171 C175 I187 V189V169-L173 HydrophobicContact CG1-CD1 3.87Å; V169-L173 HydrophobicContact CG1-CG 4.38Å; V169-L173 VanDerWaalsContact O-CG 3.28Å; V169-L173 WeakPolarHBondContact O-CG 3.11Å; V169-L173 PolarHBondContact O-N 3.47Å; Q170-L173 PolarHBondContact O-N 3.27Å; Q170-L173 VanDerWaalsContact O-N 3.16Å; K171-L173 VanDerWaalsContact C-N 3.31Å; K171-L173 PolarHBondContact O-N 2.87Å; L173-C175 VanDerWaalsContact C-N 3.32Å; L173-I187 HydrophobicContact CD2-CG2 4.21Å; L173-V189 HydrophobicContact CD1-CG2 3.7Å; L173-V189 HydrophobicContact CD2-CG2 3.93Å; L173-V189 HydrophobicContact CG-CG2 4.5Å
174E80.8Confident80.3Confident149 Ų14976.6 Ų76.670%0.69639%0.385SS*.Hα-helixtrans-64.3-39.8171.2-69.2176.7-179.900110.9Q170 K171Q170-E174 PolarHBondContact O-N 2.89Å; K171-E174 WeakPolarHBondContact O-CB 3.29Å; K171-E174 PolarHBondContact O-N 2.88Å
175C77.8Confident80.6Confident72 Ų7274 Ų7449%0.48637%0.367SS..SBendtrans-103.886.8174.7-690000111.3L172 L173 Y177 H178L172-C175 CarbonylContact O-C 3.37Å; L173-C175 VanDerWaalsContact C-N 3.32Å; C175-Y177 PolarHBondContact O-N 3.45Å; C175-H178 WeakPolarHBondContact CB-NE2 3.44Å; C175-H178 PolarHBondContact O-CD2 2.96Å; C175-H178 PolarHBondContact O-NE2 3.21Å
176R78.4Confident81Confident168 Ų16870.9 Ų70.963%0.63435%0.353SS*.  trans-58.6-20-178-67.7-171.2-178.9-166.31.8115.9E186 I187R176-E186 CarbonylContact O-C 3.57Å; R176-E186 WeakPolarHBondContact O-CA 2.96Å; R176-I187 PolarHBondContact O-N 3.48Å
177Y85.1Confident81.4Confident135 Ų13566.6 Ų66.653%0.52933%0.333SS..EExtended strand (participates in β ladder)trans-123.2127.9-179.6-62.4-75.6000110.6C175 K184 C185 E186C175-Y177 PolarHBondContact O-N 3.45Å; Y177-K184 HydrophobicContact CD1-CD 4.5Å; Y177-C185 VanDerWaalsContact CA-O 3.32Å; Y177-C185 WeakPolarHBondContact CA-O 3.32Å; Y177-E186 HydrophobicContact CD1-CB 4.15Å; Y177-E186 HydrophobicContact CD1-CG 4.27Å; Y177-E186 HydrophobicContact CE1-CB 4.02Å; Y177-E186 HydrophobicContact CE1-CG 3.86Å
178H83.8Confident81.5Confident14 Ų1467.5 Ų67.57%0.06533%0.33CS..EExtended strand (participates in β ladder)trans-124.3161.5176.4-72.2-102.9000109.6Y134 F138 C175 K184 C185 I187Y134-H178 HydrophobicContact CE1-CB 3.89Å; Y134-H178 AromaticContact CE1-ND1 3.52Å; Y134-H178 AromaticContact CZ-ND1 3.64Å; Y134-H178 PolarHBondContact OH-ND1 3.07Å; F138-H178 AromaticContact CZ-CE1 3.68Å; F138-H178 AromaticContact CZ-ND1 3.92Å; C175-H178 WeakPolarHBondContact CB-NE2 3.44Å; C175-H178 PolarHBondContact O-CD2 2.96Å; C175-H178 PolarHBondContact O-NE2 3.21Å; H178-K184 CarbonylContact O-C 3.56Å; H178-C185 VanDerWaalsContact CB-SG 3.53Å; H178-C185 PolarHBondContact N-O 3.19Å; H178-C185 PolarHBondContact O-N 3.3Å; H178-C185 PolarHBondContact O-SG 3.32Å; H178-C185 VanDerWaalsContact O-SG 3.4Å; H178-I187 HydrophobicContact CB-CD1 4.49Å; H178-I187 WeakPolarHBondContact CD2-CD1 3.29Å; H178-I187 WeakPolarHBondContact NE2-CD1 3.32Å
179Q82Confident81.4Confident139 Ų13970.5 Ų70.565%0.6535%0.348SS*.EExtended strand (participates in β ladder)trans-117.9115.2176.5-170.1162.914.400107.8Y134Y134-Q179 WeakPolarHBondContact CE2-O 3.45Å
180V79.8Confident81.1Confident2 Ų270.7 Ų70.71%0.01235%0.351CS..EExtended strand (participates in β ladder)trans-128.9115.8-177.8-175.80000106.9L122 T126 E130 I131 Y134 F135 S182 G183L122-V180 HydrophobicContact CD2-CB 4.01Å; L122-V180 HydrophobicContact CD2-CG1 4.27Å; T126-V180 HydrophobicContact CG2-CG1 4.16Å; E130-V180 HydrophobicContact CG-CG1 4.31Å; I131-V180 HydrophobicContact CG1-CG1 4.25Å; Y134-V180 HydrophobicContact CD1-CG2 3.46Å; Y134-V180 VanDerWaalsContact CD1-CG2 3.46Å; Y134-V180 HydrophobicContact CD2-CG2 4.31Å; Y134-V180 HydrophobicContact CE1-CG2 3.75Å; Y134-V180 HydrophobicContact CG-CG2 3.76Å; F135-V180 HydrophobicContact CE2-CG2 4.09Å; F135-V180 HydrophobicContact CZ-CG2 4.26Å; V180-S182 PolarHBondContact O-N 3.46Å; V180-G183 PolarHBondContact N-O 3.35Å; V180-G183 VanDerWaalsContact N-O 3.14Å; V180-G183 PolarHBondContact O-N 3.28Å
181G74.4Confident80.7Confident32 Ų3269.9 Ų69.933%0.3335%0.347SS..THydrogen-bonded Turntrans57.2-131.6-168.700000113.5E130 G183E130-G181 WeakPolarHBondContact OE1-CA 3.39Å; E130-G181 PolarHBondContact OE1-N 3.33Å; E130-G181 VanDerWaalsContact OE1-N 3.09Å; G181-G183 VanDerWaalsContact C-N 3.34Å
182S71.1Confident80Confident99 Ų9968.7 Ų68.769%0.69235%0.35SS*.THydrogen-bonded Turntrans-84.6-5.8179.457.50000114V180V180-S182 PolarHBondContact O-N 3.46Å
183G75.2Confident78.9Confident10 Ų1076.1 Ų76.110%0.10338%0.383CS..EExtended strand (participates in β ladder)trans-105.4145.4-175.100000113.8V180 G181V180-G183 PolarHBondContact N-O 3.35Å; V180-G183 VanDerWaalsContact N-O 3.14Å; V180-G183 PolarHBondContact O-N 3.28Å; G181-G183 VanDerWaalsContact C-N 3.34Å
184K83.6Confident77.7Confident141 Ų14180 Ų8061%0.61340%0.399SS*.EExtended strand (participates in β ladder)trans-89.6111.6165.4-177.5179.4-179.3179.60108.4Y177 H178Y177-K184 HydrophobicContact CD1-CD 4.5Å; H178-K184 CarbonylContact O-C 3.56Å
185C86.9Confident76.7Confident0 Ų075.7 Ų75.70%038%0.383CS..EExtended strand (participates in β ladder)trans-95.1149.2178.864.70000112.5V119 G120 L122 Y177 H178V119-C185 HydrophobicContact CG1-CB 3.65Å; G120-C185 CarbonylContact O-C 3.4Å; G120-C185 WeakPolarHBondContact O-CA 3.19Å; G120-C185 VanDerWaalsContact O-CB 3.29Å; G120-C185 WeakPolarHBondContact O-CB 3.11Å; L122-C185 HydrophobicContact CD2-CB 3.82Å; L122-C185 HydrophobicContact CG-CB 4.17Å; Y177-C185 VanDerWaalsContact CA-O 3.32Å; Y177-C185 WeakPolarHBondContact CA-O 3.32Å; H178-C185 VanDerWaalsContact CB-SG 3.53Å; H178-C185 PolarHBondContact N-O 3.19Å; H178-C185 PolarHBondContact O-N 3.3Å; H178-C185 PolarHBondContact O-SG 3.32Å; H178-C185 VanDerWaalsContact O-SG 3.4Å
186E86.6Confident75.8Confident52 Ų5278.5 Ų78.524%0.24339%0.385CS..EExtended strand (participates in β ladder)trans-110.6129.7176.1-174.9-172.6-166.600109.3V119 G120 R176 Y177 K188V119-E186 WeakPolarHBondContact CA-O 3.27Å; G120-E186 PolarHBondContact N-O 2.64Å; G120-E186 PolarHBondContact O-N 3.33Å; R176-E186 CarbonylContact O-C 3.57Å; R176-E186 WeakPolarHBondContact O-CA 2.96Å; Y177-E186 HydrophobicContact CD1-CB 4.15Å; Y177-E186 HydrophobicContact CD1-CG 4.27Å; Y177-E186 HydrophobicContact CE1-CB 4.02Å; Y177-E186 HydrophobicContact CE1-CG 3.86Å; E186-K188 WeakPolarHBondContact OE1-CE 3.46Å; E186-K188 IonicContact OE1-NZ 2.64Å; E186-K188 PolarHBondContact OE1-NZ 3.45Å; E186-K188 IonicContact OE2-NZ 2.81Å; E186-K188 PolarHBondContact OE2-NZ 3.44Å
187I87.8Confident74.9Confident3 Ų377.1 Ų77.12%0.01538%0.379CS..EExtended strand (participates in β ladder)trans-100.1128.2-179.6-62.1-169.7000110.5V117 F118 F135 L172 L173 R176 H178V117-I187 HydrophobicContact CG1-CG2 3.3Å; F118-I187 WeakPolarHBondContact O-CA 3.47Å; F135-I187 HydrophobicContact CE1-CD1 3.72Å; F135-I187 HydrophobicContact CZ-CD1 4.28Å; L172-I187 HydrophobicContact CB-CD1 3.83Å; L172-I187 HydrophobicContact CB-CG2 4.2Å; L172-I187 HydrophobicContact CD1-CD1 4.47Å; L172-I187 HydrophobicContact CD2-CD1 3.66Å; L172-I187 HydrophobicContact CG-CD1 4.18Å; L173-I187 HydrophobicContact CD2-CG2 4.21Å; R176-I187 PolarHBondContact O-N 3.48Å; H178-I187 HydrophobicContact CB-CD1 4.49Å; H178-I187 WeakPolarHBondContact CD2-CD1 3.29Å; H178-I187 WeakPolarHBondContact NE2-CD1 3.32Å
188K84.6Confident73.6Confident94 Ų9476.6 Ų76.641%0.40938%0.382SS..EExtended strand (participates in β ladder)trans-133.5156174.2-68.5177.2170.61400110.5F118 E186 A190F118-K188 HydrophobicContact CB-CB 4.37Å; F118-K188 HydrophobicContact CD1-CB 4.07Å; F118-K188 PolarHBondContact N-O 2.95Å; F118-K188 PolarHBondContact O-N 2.73Å; E186-K188 WeakPolarHBondContact OE1-CE 3.46Å; E186-K188 IonicContact OE1-NZ 2.64Å; E186-K188 PolarHBondContact OE1-NZ 3.45Å; E186-K188 IonicContact OE2-NZ 2.81Å; E186-K188 PolarHBondContact OE2-NZ 3.44Å; K188-A190 PolarHBondContact O-N 3.09Å
189V80.9Confident72.3Confident69 Ų6981.5 Ų81.542%0.41841%0.405SS..EExtended strand (participates in β ladder)trans-57.3124.8164.9164.60000109.1P114 L173 Q191P114-V189 HydrophobicContact CB-CG1 4.26Å; P114-V189 HydrophobicContact CG-CB 4.28Å; P114-V189 HydrophobicContact CG-CG1 3.31Å; P114-V189 HydrophobicContact CG-CG2 4.27Å; L173-V189 HydrophobicContact CD1-CG2 3.7Å; L173-V189 HydrophobicContact CD2-CG2 3.93Å; L173-V189 HydrophobicContact CG-CG2 4.5Å; V189-Q191 PolarHBondContact O-N 3.29Å
190A76.1Confident71Confident13 Ų1380.1 Ų80.111%0.10740%0.398CS..PPolyproline II helixtrans-65.2128.1176.800000109.8K116 F118 F160 K188K116-A190 HydrophobicContact CB-CB 3.94Å; K116-A190 HydrophobicContact CD-CB 4.37Å; K116-A190 HydrophobicContact CG-CB 3.75Å; K116-A190 WeakPolarHBondContact O-CB 3.08Å; K116-A190 PolarHBondContact O-N 2.79Å; F118-A190 HydrophobicContact CB-CB 4.43Å; F160-A190 HydrophobicContact CD1-CB 3.98Å; F160-A190 HydrophobicContact CE1-CB 4.21Å; K188-A190 PolarHBondContact O-N 3.09Å
191Q73.1Confident69.8Low105 Ų10586.7 Ų86.749%0.49143%0.429SS..PPolyproline II helixtrans-93145172.6-65.3-166.3-2.500110.3V189V189-Q191 PolarHBondContact O-N 3.29Å
192P66.1Low68.6Low85 Ų8592.2 Ų92.255%0.55245%0.446SS*.PPolyproline II helixtrans-57.4142.2174.5-18.428.2000111.2E194 V195 Y196P192-E194 PolarHBondContact O-N 2.84Å; P192-V195 HydrophobicContact CB-CG2 4.25Å; P192-V195 HydrophobicContact CG-CG2 4.16Å; P192-V195 PolarHBondContact O-N 2.93Å; P192-Y196 PolarHBondContact O-N 3.39Å
193K60.4Low67.4Low157 Ų15798 Ų9868%0.68345%0.452SS*.Hα-helixtrans-55.3-25.1-179.4-170174.8-179.7176.30113.7R197K193-R197 PolarHBondContact O-N 2.89Å
194E57.5Low66Low140 Ų140100.8 Ų100.865%0.65448%0.481SS*.Hα-helixtrans-72.4-41.2176.8-63.7-170150.300112.8P192 Y196 R197 Q198P192-E194 PolarHBondContact O-N 2.84Å; E194-Y196 VanDerWaalsContact C-N 3.33Å; E194-Y196 PolarHBondContact O-N 3.4Å; E194-R197 PolarHBondContact O-N 2.75Å; E194-Q198 PolarHBondContact O-N 3.17Å; E194-Q198 VanDerWaalsContact O-N 3.13Å
195V58.8Low64.3Low59 Ų59102.1 Ų102.136%0.35849%0.49SS..Hα-helixtrans-64.6-40.5177.8-178.10000110.4P192 R197 Q198 Q199P192-V195 HydrophobicContact CB-CG2 4.25Å; P192-V195 HydrophobicContact CG-CG2 4.16Å; P192-V195 PolarHBondContact O-N 2.93Å; V195-R197 PolarHBondContact O-N 2.95Å; V195-Q198 PolarHBondContact O-N 2.84Å; V195-Q199 PolarHBondContact O-N 3.05Å; V195-Q199 VanDerWaalsContact O-N 3.08Å
196Y59.6Low62.2Low132 Ų132111.9 Ų111.952%0.51853%0.527SS..Hα-helixtrans-70.2-29.1178.3-161.8-104.3000113.4P192 E194 Q200P192-Y196 PolarHBondContact O-N 3.39Å; E194-Y196 VanDerWaalsContact C-N 3.33Å; E194-Y196 PolarHBondContact O-N 3.4Å; Y196-Q200 HydrophobicContact CE1-CG 4.5Å; Y196-Q200 PolarHBondContact O-N 2.84Å; Y196-Q200 PolarHBondContact O-NE2 3.16Å
197R59.3Low60Low138 Ų138113 Ų11352%0.52155%0.552SS.*Hα-helixtrans-72.6-39.9174.2-91.6-173.2-80-169.61.6112.2K193 E194 V195 Q201K193-R197 PolarHBondContact O-N 2.89Å; E194-R197 PolarHBondContact O-N 2.75Å; V195-R197 PolarHBondContact O-N 2.95Å; R197-Q201 WeakPolarHBondContact O-CG 3.32Å; R197-Q201 PolarHBondContact O-N 2.87Å
198Q56.8Low57.8Low125 Ų125116.1 Ų116.158%0.58458%0.584SS**Hα-helixtrans-68.1-38.2175.5-77.4174.3200112.4E194 V195 Q200 Q201 H202E194-Q198 PolarHBondContact O-N 3.17Å; E194-Q198 VanDerWaalsContact O-N 3.13Å; V195-Q198 PolarHBondContact O-N 2.84Å; Q198-Q200 PolarHBondContact O-N 2.84Å; Q198-Q201 PolarHBondContact O-N 3.32Å; Q198-H202 PolarHBondContact O-CD2 2.83Å; Q198-H202 PolarHBondContact O-N 2.97Å
199Q57.1Low55.8Low117 Ų117119.6 Ų119.655%0.54760%0.596SS.*Hα-helixtrans-66.7-33.5177.2-105.4175.52400114V195 R203V195-Q199 PolarHBondContact O-N 3.05Å; V195-Q199 VanDerWaalsContact O-N 3.08Å; Q199-R203 PolarHBondContact O-N 2.85Å
200Q56Low53.7Low110 Ų110126 Ų12651%0.51462%0.621SS.*Hα-helixtrans-71.8-32.5175.2-82.7174.385.500112.8Y196 Q198 R203 G204Y196-Q200 HydrophobicContact CE1-CG 4.5Å; Y196-Q200 PolarHBondContact O-N 2.84Å; Y196-Q200 PolarHBondContact O-NE2 3.16Å; Q198-Q200 PolarHBondContact O-N 2.84Å; Q200-R203 PolarHBondContact O-N 2.69Å; Q200-G204 PolarHBondContact O-N 2.9Å
201Q52.7Low51.8Low139 Ų139129 Ų12965%0.6565%0.654SS**Hα-helixtrans-65.4-39175.5-72175.211.400111.4R197 Q198 R203 G204R197-Q201 WeakPolarHBondContact O-CG 3.32Å; R197-Q201 PolarHBondContact O-N 2.87Å; Q198-Q201 PolarHBondContact O-N 3.32Å; Q201-R203 VanDerWaalsContact C-N 3.34Å; Q201-R203 PolarHBondContact O-N 3.14Å; Q201-G204 PolarHBondContact O-N 3.48Å
202H49.4Very low50.1Low149 Ų149127.6 Ų127.669%0.6967%0.668SS**Hα-helixtrans-77.3-13.2176-67.8-53.2000115.1Q198Q198-H202 PolarHBondContact O-CD2 2.83Å; Q198-H202 PolarHBondContact O-N 2.97Å
203R47.7Very low48.7Very low220 Ų220135.8 Ų135.883%0.8369%0.688SS**Hα-helixtrans-87.7-13.3175.1-141.6-176.9-169.1-154.93113.2Q199 Q200 Q201Q199-R203 PolarHBondContact O-N 2.85Å; Q200-R203 PolarHBondContact O-N 2.69Å; Q201-R203 VanDerWaalsContact C-N 3.34Å; Q201-R203 PolarHBondContact O-N 3.14Å
204G45.2Very low47.4Very low69 Ų69132.5 Ų132.571%0.71170%0.698SS**SBendtrans-79.8-15175.600000114.7Q200 Q201Q200-G204 PolarHBondContact O-N 2.9Å; Q201-G204 PolarHBondContact O-N 3.48Å
205E46.9Very low46.4Very low169 Ų169129.8 Ų129.879%0.7971%0.707SS**SBendtrans-107.41.4-170.1-140.9167.6121.800114.3
206R42.5Very low45.2Very low205 Ų205131 Ų13177%0.77473%0.732SS**SBendtrans-123.540.2-177.4-147.9-174.5-174.1179.51.8113.3Y209R206-Y209 VanDerWaalsContact CG-OH 3.22Å; R206-Y209 WeakPolarHBondContact CG-OH 3.22Å
207G41.4Very low43.8Very low75 Ų75128.3 Ų128.377%0.77375%0.745SS**  trans-138.825.4178.200000113.9
208G42Very low42.8Very low68 Ų68132.4 Ų132.470%0.70176%0.762SS**  trans-118.139-174.400000113.9
209Y42.7Very low41.8Very low168 Ų168138.6 Ų138.666%0.65978%0.78SS**SBendtrans-147.3116.8168.419.7-90.1000111.2R206R206-Y209 VanDerWaalsContact CG-OH 3.22Å; R206-Y209 WeakPolarHBondContact CG-OH 3.22Å
210E37.3Very low40.7Very low202 Ų202136.3 Ų136.394%0.94479%0.787SS**  trans90.4111.1156.7-149.4171.3157.400118.6
211G35.5Very low39.6Very low77 Ų77143.3 Ų143.379%0.79481%0.809SS**  trans127.788.3140.700000118.5
212G36.5Very low38.6Very low75 Ų75140.1 Ų140.177%0.77381%0.813SS**  79.5115.8122.300000121.8
213R37.3Very low37.8Very low258 Ų258145 Ų14597%0.97483%0.826SS**  trans65.7114.4134.3-68.1-175.9176.5-172.80120.7
214G33.3Very low37.1Very low88 Ų88138.5 Ų138.591%0.90783%0.827SS**  trans118.9125.3146.200000112.7
215G35.5Very low36.6Very low82 Ų82138.8 Ų138.885%0.84583%0.83SS**  cis171.6155.12.400000108.4
216G34.9Very low35.9Very low84 Ų84139.7 Ų139.787%0.86683%0.834SS**  trans105.1111.1158.600000116.8
217G30.8Very low35.5Very low77 Ų77134.6 Ų134.679%0.79483%0.83SS**  trans161.685.6165.200000115
218Y37.8Very low34.8Very low223 Ų223137.1 Ų137.188%0.87583%0.826SS**  trans-59151.7-176.6-58.4-98.1000116.3
219R36.2Very low34.2Very low255 Ų255143.5 Ų143.596%0.96283%0.831SS**  trans124.4119.4155.7-72.3176.8-167.4-166.56109.8
220G33.3Very low33.5Very low69 Ų69141.2 Ų141.271%0.71183%0.829SS**  cis166.91576.600000108
221R33Very low33.1Very low258 Ų258140.1 Ų140.197%0.97482%0.824SS**  trans60.6114.9164.3-75.8-173174.7-152.4-0.1118.6
222G31.9Very low32.7Very low71 Ų71140 Ų14073%0.73282%0.823SS**  131.395.4113.100000117.1
223R33.3Very low32.2Very low252 Ų252147.5 Ų147.595%0.95183%0.83SS**  trans51.8123135.7-78.6-169.9172.6-146.8-0.1121.1
224G32.6Very low31.8Very low84 Ų84142.1 Ų142.187%0.86682%0.82SS**  trans89.8127.8142.200000113.7
225G33.2Very low31.5Very low75 Ų75140.6 Ų140.677%0.77381%0.805SS**  cis119.29426.900000108.7
226Q33.5Very low31Very low187 Ų187146.4 Ų146.487%0.87480%0.802SS**  trans42.7128.5150.5-92.2172.4-51.500122.8
227S32.8Very low30.6Very low99 Ų99152.4 Ų152.469%0.69280%0.8SS**  76.6109125-62.20000122.1
228N28.6Very low30.5Very low127 Ų127153.8 Ų153.868%0.67980%0.798SS**  80.2140.9109.9-138.5-7.5000122.3
229Y27.7Very low30Very low203 Ų203151.7 Ų151.780%0.79680%0.796SS**  trans63.9133170.6-68.4-81.4000116.2
230N27.7Very low29.4Very low119 Ų119146.6 Ų146.664%0.63679%0.788SS**  cis-177.2158.841.8-156.9-0.3000111.1
231Q29Very low29.1Very low179 Ų179153.6 Ų153.684%0.83679%0.794SS**  trans15.2139.7151.2-72.716116.600122.8
232G28Very low28.8Very low74 Ų74144.5 Ų144.576%0.76378%0.781SS**  trans16193.3145.700000117.5
233Y26.4Very low28.8Very low233 Ų233146.3 Ų146.391%0.91478%0.782SS**  trans22.5151.2140.1-107.1-101.3000123.9
234N27.9Very low28.5Very low146 Ų146145.4 Ų145.478%0.78178%0.781SS**  trans86.3127.9165.9-112.5-42.9000116.3
235G27Very low28.4Very low56 Ų56144.3 Ų144.358%0.57777%0.769SS**  cis134.5123.58.100000110.8
236Y25.9Very low28.2Very low203 Ų203148.4 Ų148.480%0.79677%0.773SS**  trans82124.3151.5-59.6-84.4000122.5
237Y26.2Very low27.9Very low210 Ų210142.1 Ų142.182%0.82476%0.759SS**  trans58.1121.9141.6-82.6-111.1000120.2
238S27.9Very low27.7Very low107 Ų107147.5 Ų147.575%0.74877%0.766SS**  174.8127.287.9-159.90000111.5
239Q27.7Very low27.9Very low179 Ų179147.7 Ų147.784%0.83677%0.767SS**  trans-62.9142.5146.3-73.7153.8-33.900108.4
240N24.6Very low28.1Very low147 Ų147146.5 Ų146.579%0.78677%0.769SS**  -171.9150.2122.4-138-28.5000113.7
241Y27.1Very low28.1Very low216 Ų216144.2 Ų144.285%0.84777%0.773SS**  trans-33143.6170.2-84.6-122.5000118.6
242G26.8Very low28Very low67 Ų67146.3 Ų146.369%0.69177%0.774SS**  81.5108.499.300000118.5
243S31.4Very low28.1Very low109 Ų109149.4 Ų149.476%0.76277%0.774SS**  52.1120.7129.9-173.20000119.4
244Y27.2Very low28.1Very low234 Ų234141.3 Ų141.392%0.91876%0.761SS**  -168.2130.2122.1-104.5-78.9000109.6
245G29.5Very low28.2Very low61 Ų61144.9 Ų144.963%0.62977%0.765SS**  trans-94.8174.2-17800000115.6
246N29.9Very low28.2Very low160 Ų160146.9 Ų146.986%0.85678%0.776SS**  trans153.6137.8152-95.9-71.8000107.7
247G27.3Very low28.2Very low56 Ų56140.2 Ų140.258%0.57777%0.769SS**  cis176.4176.11.400000110.6
248Y29.1Very low28.3Very low212 Ų212141.2 Ų141.283%0.83177%0.773SS**  trans68.4137156.8-59.2-76.9000118.2
249N31.4Very low28.3Very low130 Ų130142.9 Ų142.970%0.69577%0.774SS**  cis-170168.26.7-165.9-56.5000108.9
250Q31.6Very low28.4Very low179 Ų179145.6 Ų145.684%0.83678%0.778SS**  trans87.1113160.5-55.8-176.619.500116.6
251G27.6Very low28.7Very low70 Ų70143.1 Ų143.172%0.72277%0.772SS**  cis117.6111.110.100000110.7
252Y28.2Very low28.7Very low223 Ų223136.4 Ų136.488%0.87577%0.769SS**  trans-176.2137.2134.9-120.5-98.4000112.8
253N29.8Very low28.9Very low139 Ų139144.1 Ų144.174%0.74378%0.779SS**  trans-13.6150.7168.8-74.3-60.3000119.7
254G27.1Very low28.7Very low63 Ų63145.1 Ų145.165%0.64978%0.775SS**  cis141.8146.711.200000111.1
255Y28.1Very low28.8Very low222 Ų222145.1 Ų145.187%0.87178%0.775SS**  trans95.9105.1165.2-82.3-91.3000122.2
256A28Very low28.8Very low97 Ų97147.9 Ų147.980%0.80278%0.776SS**  50.7138.1127.200000120.1
257G26Very low28.8Very low63 Ų63145.3 Ų145.365%0.64977%0.77SS**  cis167.1169.28.200000109.6
258Y28.9Very low28.9Very low232 Ų232153 Ų15391%0.9178%0.783SS**  trans75.1105.8162.1-65.5-78.5000121.8
259D28.2Very low28.9Very low142 Ų142145.9 Ų145.976%0.75977%0.774SS**  trans2.5130.9134.8-90.8-70.2000119.9
260Y28.6Very low28.9Very low235 Ų235151.4 Ų151.492%0.92279%0.787SS**  trans-143.5122.6135-136.1-96.7000110.5G262Y260-G262 PolarHBondContact O-N 3.14Å
261S30.4Very low28.8Very low96 Ų96146.4 Ų146.467%0.67178%0.783SS**PPolyproline II helixtrans-57.9120.3178.1-83.90000112.5
262G28.3Very low29.1Very low75 Ų75151.7 Ų151.777%0.77379%0.789SS**PPolyproline II helixtrans-88.6119.5165.600000110.7Y260 N264Y260-G262 PolarHBondContact O-N 3.14Å; G262-N264 PolarHBondContact O-N 2.91Å
263Y30.5Very low29.1Very low229 Ų229144.4 Ų144.490%0.89878%0.782SS**PPolyproline II helixtrans-67.3125173.9-88.3-90.8000111.3
264N26.9Very low29.2Very low129 Ų129147.4 Ų147.469%0.6978%0.784SS**PPolyproline II helixtrans-73.2124.7179.9-175.6-65000111.1G262G262-N264 PolarHBondContact O-N 2.91Å
265Y28.7Very low29.5Very low235 Ų235152.3 Ų152.392%0.92280%0.796SS**  trans-89.3108.2167.5-128.6-94.1000108.1S267Y265-S267 PolarHBondContact O-N 3.28Å
266N31.1Very low29.5Very low119 Ų119148.4 Ų148.464%0.63679%0.789SS**  trans-82117.9-176.9-127.9-25.6000110.8
267S28.1Very low29.5Very low106 Ų106153.9 Ų153.974%0.74179%0.791SS**  trans-88.1109.8175.61690000109.1Y265 G269Y265-S267 PolarHBondContact O-N 3.28Å; S267-G269 PolarHBondContact O-N 3.5Å; S267-G269 VanDerWaalsContact O-N 3.09Å
268Y31.2Very low29.6Very low218 Ų218158.1 Ų158.186%0.85580%0.799SS**  trans-79.192.7171.4-78.5-80.1000110.5
269G28.1Very low29.6Very low61 Ų61150.2 Ų150.263%0.62979%0.787SS**  trans-77.6144.3159.400000111.1S267 G271S267-G269 PolarHBondContact O-N 3.5Å; S267-G269 VanDerWaalsContact O-N 3.09Å; G269-G271 PolarHBondContact O-N 2.8Å
270Y30.6Very low29.7Very low247 Ų247152.9 Ų152.997%0.96980%0.796SS**  trans-58.8114.6169-96-104.1000110.4
271G30.4Very low29.8Very low73 Ų73150.7 Ų150.775%0.75379%0.794SS**  trans-106.9117.7168.600000110.4G269G269-G271 PolarHBondContact O-N 2.8Å
272Q33.5Very low29.8Very low181 Ų181152.1 Ų152.185%0.84680%0.804SS**  trans-65.5124.4155.6-78.6-166.24.300108.3
273G29.1Very low29.9Very low71 Ų71153 Ų15373%0.73280%0.798SS**  trans-111.9115.116900000109.5
274Y30.5Very low29.9Very low202 Ų202152.9 Ų152.979%0.79280%0.798SS**  trans-78130.9155.2-84-98000107.5
275D34Very low30.1Very low166 Ų166150.3 Ų150.389%0.88880%0.802SS**  trans-128.5117.3160-84.8-49.2000108.8
276D28Very low30.3Very low139 Ų139149.6 Ų149.674%0.74380%0.803SS**  trans-77.6137.3166.2-79.8-64.2000110.1
277Y28.8Very low30.3Very low213 Ų213148.9 Ų148.984%0.83581%0.814SS**  172.2114.9113.2-110.3-101.3000112.5
278N27Very low30.5Very low152 Ų152149.1 Ų149.181%0.81382%0.815SS**  64.4117125.3-156.923.5000121.2
279G29.1Very low30.6Very low65 Ų65149.9 Ų149.967%0.6782%0.817SS**  trans166.291.7155.700000117
280Q31.6Very low30.8Very low199 Ų199155.9 Ų155.993%0.9383%0.828SS**  trans92.4121.9148.8-59.3-179.713.800120.5
281Q29.3Very low31Very low189 Ų189150.4 Ų150.488%0.88382%0.82SS**  trans-67.3143.2174.1-68165-24.100112
282S31.5Very low31.3Very low126 Ų126152.9 Ų152.988%0.88182%0.821SS**  trans-158.9132.7132.4-85.60000112
283S30.5Very low31.3Very low94 Ų94149.1 Ų149.166%0.65781%0.811SS**  trans-51.1142.7175.6173.30000114.2
284Y29.4Very low31.7Very low226 Ų226153.3 Ų153.389%0.88681%0.811SS**  168.5133.8116-101-82.6000112.3
285G31.7Very low32.1Very low75 Ų75151.8 Ų151.877%0.77381%0.811SS**  trans87.492.5140.800000119.2
286K31.7Very low32.2Very low220 Ų220152 Ų15296%0.95781%0.812SS**  trans-73.6127.1151.7-76.8-178174.4178.30109
287A32.4Very low32.5Very low104 Ų104152.9 Ų152.986%0.8682%0.817SS**  trans-135.4138.2159.200000109.9
288S31.6Very low32.9Very low110 Ų110153.4 Ų153.477%0.76982%0.819SS**  trans-93.4156.9-167.1-49.20000111.9
289R34Very low33.5Very low235 Ų235154.9 Ų154.989%0.88782%0.821SS**  trans56.7121.2153.3-75.9-179.1173.9167-1.7117.3
290E32Very low34.6Very low187 Ų187157 Ų15787%0.87482%0.823SS**  -152.4129.4120.2-111.4168.3-164.900110.9
291V35.7Very low35.6Very low131 Ų131162.2 Ų162.279%0.79484%0.836SS**  trans-93.5116.5173.1168.40000105.5
292T35Very low35.9Very low126 Ų126160.9 Ų160.977%0.77383%0.834SS**  trans-109.3106.3170.9-51.20000108.4
293T35.4Very low36.1Very low102 Ų102162.7 Ų162.763%0.62683%0.831SS**  trans-66.6178.6161.139.20000110.9
294H37.4Very low36.4Very low159 Ų159166.5 Ų166.574%0.73684%0.841SS**  trans107.5133172.8-59.881.3000112.7
295Q38.9Very low36.9Very low170 Ų170163 Ų16379%0.79484%0.838SS**  cis-171.2129.8-24.2-130.3171.5-8.100103.8
296N35Very low37.2Very low171 Ų171168.5 Ų168.591%0.91484%0.842SS**  trans-69.1130175.2-79.5-36.9000109.9
297N35.3Very low37.6Very low157 Ų157165.1 Ų165.184%0.8484%0.835SS**  trans-114.4110.5173.4-134.912.5000108.8
298Y36.6Very low37.9Very low224 Ų224169.4 Ų169.488%0.87883%0.833SS**  trans-141121.4168.1-134-90.2000107.3
299Q39.7Very low38.4Very low182 Ų182174 Ų17485%0.8584%0.838SS**  trans-127.7131.9169-106.3-175.5-40.200109.1
300P53Low38.8Very low110 Ų110168.9 Ų168.971%0.71483%0.834SS**  trans-92.2158.8178.536.1-32.6000112.2
301Y51.3Low39.4Very low308 Ų308167.3 Ų167.3100%1.20883%0.83SS**  trans-116.30143.7-95.1-81.7000107.8

Retrieved 301 of 301 residues in 58.9 ms (Link to these results)