A0A096N1G4_PAPAN Loading...

SH2B adapter protein 3

Links T-cell receptor activation signal to phospholipase C-gamma-1, GRB2 and phosphatidylinositol 3-kinase.

AlphaFold DB , UniProt , Accession A0A096N1G4, Species PAPAN (Papio anubis, Olive baboon), Gene SH2B3, Length 570 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
1M41Very low39.7Very low226 Ų226136.4 Ų136.4100%1.11385%0.853SS**  0166.10-71.1101.679.900109.6
2N40.1Very low39.5Very low163 Ų163134.8 Ų134.887%0.87285%0.85SS**  trans64.7102.6167.1-53.4-6.3000115.5
3G39.5Very low39.5Very low74 Ų74132.7 Ų132.776%0.76384%0.843SS**  trans-97.9176.7167.800000112.7
4P46.2Very low39.9Very low128 Ų128131.3 Ų131.383%0.83184%0.835SS**  trans-97.6135.2-176.635-30000114.3
5A37.4Very low40.1Very low98 Ų98130.9 Ų130.981%0.8183%0.833SS**  trans21119.9152.900000121
6L43.5Very low40Very low175 Ų175129.9 Ų129.992%0.91683%0.831SS**  trans-79.9130.9149.5-71.7167000109.9
7Q37.4Very low40.4Very low187 Ų187127.7 Ų127.787%0.87483%0.828SS**  trans-144.6157.6155.3-91.5-142.3-26.800110.7
8P40.6Very low40.6Very low109 Ų109126.3 Ų126.371%0.70882%0.821SS**  trans-97.5166-137.836.1-38000116.2S10P8-S10 PolarHBondContact O-N 3.31Å
9S40.3Very low41.4Very low127 Ų127126.1 Ų126.189%0.88882%0.82SS**  trans-52.4115.2173.7-46.30000112.7A11S9-A11 PolarHBondContact O-N 3.19Å
10S33.8Very low42.4Very low122 Ų122125.3 Ų125.385%0.85381%0.812SS**  trans-76.2118.3163.8-66.80000109P8P8-S10 PolarHBondContact O-N 3.31Å
11A37.3Very low43.5Very low91 Ų91123.5 Ų123.575%0.75280%0.801SS**  trans-64.8142.1-178.600000111.5S9 S13S9-A11 PolarHBondContact O-N 3.19Å; A11-S13 PolarHBondContact O-N 3.12Å; A11-S13 VanDerWaalsContact O-N 3.14Å
12S37.2Very low44.5Very low117 Ų117116.8 Ų116.882%0.81878%0.781SS**  trans-67.8109.8170.250.80000109.8
13S38.9Very low45.9Very low108 Ų108111.6 Ų111.676%0.75576%0.756SS**PPolyproline II helixtrans-51.6138.4170.5-57.20000110.5A11A11-S13 PolarHBondContact O-N 3.12Å; A11-S13 VanDerWaalsContact O-N 3.14Å
14P45.3Very low47.6Very low113 Ų113118.7 Ų118.773%0.73476%0.76SS**PPolyproline II helixtrans-60.9150.3173.427.7-34.5000110S16P14-S16 PolarHBondContact O-N 2.89Å
15P42.3Very low49.1Very low125 Ų125114.4 Ų114.481%0.81274%0.739SS**PPolyproline II helixtrans-58.6127.5177.224.9-33.6000109.6A17P15-A17 PolarHBondContact O-N 2.82Å
16S39.2Very low50.9Low115 Ų115119.8 Ų119.880%0.80474%0.739SS**PPolyproline II helixtrans-54.6124177.7-172.70000109.6P14 S18P14-S16 PolarHBondContact O-N 2.89Å; S16-S18 PolarHBondContact O-N 2.89Å
17A45.9Very low52.4Low93 Ų93116 Ų11677%0.76973%0.727SS**  trans-65.3106.9177.800000108.9P15P15-A17 PolarHBondContact O-N 2.82Å
18S44.5Very low54.5Low102 Ų102110.6 Ų110.671%0.71370%0.702SS**PPolyproline II helixtrans-49.5127.4173.4-58.30000109.3S16 V20S16-S18 PolarHBondContact O-N 2.89Å; S18-V20 PolarHBondContact O-N 2.71Å; S18-V20 VanDerWaalsContact O-N 3.1Å
19P56.5Low56.7Low123 Ų123109.3 Ų109.380%0.79969%0.685SS**PPolyproline II helixtrans-59.8122.1-178.924.3-33000108.8
20V60.4Low58.8Low109 Ų109106.7 Ų106.766%0.66167%0.666SS**PPolyproline II helixtrans-53.7129.1176.7179.70000107.9S18 A22 L32S18-V20 PolarHBondContact O-N 2.71Å; S18-V20 VanDerWaalsContact O-N 3.1Å; V20-A22 PolarHBondContact O-N 3.08Å; V20-L32 HydrophobicContact CG1-CD1 3.87Å
21P65.2Low61.2Low89 Ų89107 Ų10758%0.57865%0.654SS**PPolyproline II helixtrans-57.5132.9-176.723.2-33.7000109.9
22A63.1Low63.6Low85 Ų85106.1 Ų106.170%0.70264%0.636SS**PPolyproline II helixtrans-59.3129.6177.600000109.4V20 R24V20-A22 PolarHBondContact O-N 3.08Å; A22-R24 PolarHBondContact O-N 3.13Å
23P69.6Low66.1Low53 Ų53105.2 Ų105.234%0.34462%0.619SS.*PPolyproline II helixtrans-63.1133.1-172.422.8-32.3000110.9G25 E28 F29P23-G25 PolarHBondContact O-N 2.62Å; P23-E28 HydrophobicContact CB-CB 3.92Å; P23-E28 HydrophobicContact CB-CG 3.98Å; P23-F29 HydrophobicContact CB-CB 3.99Å; P23-F29 HydrophobicContact CG-CB 3.81Å; P23-F29 HydrophobicContact CG-CD2 4.03Å; P23-F29 HydrophobicContact CG-CG 4.43Å
24R75.8Confident68.4Low224 Ų224102.9 Ų102.985%0.84561%0.606SS**SBendtrans-76.90.5-173.8-58.2174.6-176.3-93.60.5113.1A22 E28A22-R24 PolarHBondContact O-N 3.13Å; R24-E28 WeakPolarHBondContact CB-OE2 3.38Å; R24-E28 WeakPolarHBondContact CG-OE2 3.45Å; R24-E28 PolarHBondContact N-OE2 2.97Å
25G77.1Confident70.5Confident38 Ų38100.6 Ų100.639%0.39259%0.59SS.*SBendtrans177174.6173.500000112.3P23 S27 E28 F29P23-G25 PolarHBondContact O-N 2.62Å; G25-S27 PolarHBondContact O-N 3.4Å; G25-E28 PolarHBondContact O-N 3.32Å; G25-F29 PolarHBondContact O-N 2.79Å; G25-F29 VanDerWaalsContact O-N 3.13Å
26W75.8Confident72.8Confident210 Ų21097 Ų9780%0.79557%0.571SS**Hα-helixtrans-55.5-33.8-178.7-72.7107.9000114F29 C30W26-F29 HydrophobicContact CE3-CD1 4.28Å; W26-F29 HydrophobicContact CZ3-CD1 4.44Å; W26-F29 PolarHBondContact O-N 2.85Å; W26-C30 WeakPolarHBondContact O-CB 3.36Å; W26-C30 PolarHBondContact O-N 2.74Å; W26-C30 PolarHBondContact O-SG 2.82Å
27S73.7Confident75.3Confident96 Ų9693 Ų9367%0.67155%0.545SS*.Hα-helixtrans-62.7-50.8178.5-163.30000112G25 F29 C30 E31G25-S27 PolarHBondContact O-N 3.4Å; S27-F29 VanDerWaalsContact C-N 3.33Å; S27-F29 PolarHBondContact O-N 2.84Å; S27-C30 PolarHBondContact O-N 3.4Å; S27-E31 VanDerWaalsContact O-CB 3.29Å; S27-E31 WeakPolarHBondContact O-CB 3.42Å; S27-E31 PolarHBondContact O-N 2.79Å
28E82.9Confident77.4Confident73 Ų7391.3 Ų91.334%0.34153%0.531SS..Hα-helixtrans-67.5-34.4-179.7-170.1176.1-161.800111.3P23 R24 G25 L32P23-E28 HydrophobicContact CB-CB 3.92Å; P23-E28 HydrophobicContact CB-CG 3.98Å; R24-E28 WeakPolarHBondContact CB-OE2 3.38Å; R24-E28 WeakPolarHBondContact CG-OE2 3.45Å; R24-E28 PolarHBondContact N-OE2 2.97Å; G25-E28 PolarHBondContact O-N 3.32Å; E28-L32 VanDerWaalsContact O-CB 3.23Å; E28-L32 WeakPolarHBondContact O-CB 3.23Å; E28-L32 PolarHBondContact O-N 2.67Å; E28-L32 VanDerWaalsContact O-N 3.1Å
29F86.9Confident79.7Confident83 Ų8394.7 Ų94.736%0.36453%0.528SS..Hα-helixtrans-61.8-52.5170.9175.6-89.6000111.5P23 G25 W26 S27 H33P23-F29 HydrophobicContact CB-CB 3.99Å; P23-F29 HydrophobicContact CG-CB 3.81Å; P23-F29 HydrophobicContact CG-CD2 4.03Å; P23-F29 HydrophobicContact CG-CG 4.43Å; G25-F29 PolarHBondContact O-N 2.79Å; G25-F29 VanDerWaalsContact O-N 3.13Å; W26-F29 HydrophobicContact CE3-CD1 4.28Å; W26-F29 HydrophobicContact CZ3-CD1 4.44Å; W26-F29 PolarHBondContact O-N 2.85Å; S27-F29 VanDerWaalsContact C-N 3.33Å; S27-F29 PolarHBondContact O-N 2.84Å; F29-H33 AromaticContact CD2-CE1 3.55Å; F29-H33 AromaticContact CD2-ND1 3.74Å; F29-H33 AromaticContact CE2-CE1 3.27Å; F29-H33 WeakPolarHBondContact CE2-CE1 3.44Å; F29-H33 AromaticContact CE2-ND1 3.67Å; F29-H33 AromaticContact CG-ND1 3.97Å; F29-H33 AromaticContact CZ-CE1 3.76Å; F29-H33 AromaticContact CZ-ND1 3.83Å; F29-H33 PolarHBondContact O-N 3.16Å; F29-H33 VanDerWaalsContact O-N 3.14Å; F29-H33 PolarHBondContact O-ND1 2.79Å
30C82.8Confident81.4Confident71 Ų7192.4 Ų92.448%0.4851%0.506SS..Hα-helixtrans-65.7-41.2-178-72.30000112.1W26 S27 H33 A34W26-C30 WeakPolarHBondContact O-CB 3.36Å; W26-C30 PolarHBondContact O-N 2.74Å; W26-C30 PolarHBondContact O-SG 2.82Å; S27-C30 PolarHBondContact O-N 3.4Å; C30-H33 PolarHBondContact O-N 3.33Å; C30-A34 WeakPolarHBondContact O-CB 3.46Å; C30-A34 PolarHBondContact O-N 3.21Å
31E84.1Confident82.9Confident130 Ų13089.4 Ų89.461%0.60749%0.487SS*.Hα-helixtrans-61-48.6177.3-176.7174.3-175.300111.5S27 H33 A34 V35S27-E31 VanDerWaalsContact O-CB 3.29Å; S27-E31 WeakPolarHBondContact O-CB 3.42Å; S27-E31 PolarHBondContact O-N 2.79Å; E31-H33 PolarHBondContact O-N 3.43Å; E31-A34 PolarHBondContact O-N 2.89Å; E31-V35 WeakPolarHBondContact O-CB 3.23Å; E31-V35 WeakPolarHBondContact O-CG2 3.27Å; E31-V35 PolarHBondContact O-N 3.29Å
32L89.3Confident84Confident72 Ų7287.4 Ų87.438%0.37748%0.478SS..Hα-helixtrans-59.3-46178.5-171.7157.8000111.9V20 E28 V35 A36V20-L32 HydrophobicContact CG1-CD1 3.87Å; E28-L32 VanDerWaalsContact O-CB 3.23Å; E28-L32 WeakPolarHBondContact O-CB 3.23Å; E28-L32 PolarHBondContact O-N 2.67Å; E28-L32 VanDerWaalsContact O-N 3.1Å; L32-V35 PolarHBondContact O-N 2.93Å; L32-A36 WeakPolarHBondContact O-CB 3.22Å; L32-A36 PolarHBondContact O-N 3.49Å
33H89.2Confident85.4Confident97 Ų9789.6 Ų89.645%0.44947%0.468SS..Hα-helixtrans-73.9-32.8-179.6-68.885.2000112.6F29 C30 E31 A36 A37F29-H33 AromaticContact CD2-CE1 3.55Å; F29-H33 AromaticContact CD2-ND1 3.74Å; F29-H33 AromaticContact CE2-CE1 3.27Å; F29-H33 WeakPolarHBondContact CE2-CE1 3.44Å; F29-H33 AromaticContact CE2-ND1 3.67Å; F29-H33 AromaticContact CG-ND1 3.97Å; F29-H33 AromaticContact CZ-CE1 3.76Å; F29-H33 AromaticContact CZ-ND1 3.83Å; F29-H33 PolarHBondContact O-N 3.16Å; F29-H33 VanDerWaalsContact O-N 3.14Å; F29-H33 PolarHBondContact O-ND1 2.79Å; C30-H33 PolarHBondContact O-N 3.33Å; E31-H33 PolarHBondContact O-N 3.43Å; H33-A36 PolarHBondContact O-N 2.77Å; H33-A37 VanDerWaalsContact O-CB 3.32Å; H33-A37 WeakPolarHBondContact O-CB 3.44Å; H33-A37 PolarHBondContact O-N 2.89Å
34A87.3Confident86.4Confident60 Ų6091.8 Ų91.850%0.49647%0.473SS..Hα-helixtrans-64.7-43.4171.800000111.6C30 E31 A37 A38C30-A34 WeakPolarHBondContact O-CB 3.46Å; C30-A34 PolarHBondContact O-N 3.21Å; E31-A34 PolarHBondContact O-N 2.89Å; A34-A37 PolarHBondContact O-N 2.85Å; A34-A38 VanDerWaalsContact O-CB 3.26Å; A34-A38 WeakPolarHBondContact O-CB 3.42Å; A34-A38 PolarHBondContact O-N 2.94Å
35V88.3Confident86.8Confident64 Ų6483.1 Ų83.139%0.38844%0.441SS..Hα-helixtrans-63.3-40.3174.1170.20000111.3E31 L32 R39E31-V35 WeakPolarHBondContact O-CB 3.23Å; E31-V35 WeakPolarHBondContact O-CG2 3.27Å; E31-V35 PolarHBondContact O-N 3.29Å; L32-V35 PolarHBondContact O-N 2.93Å; V35-R39 WeakPolarHBondContact O-CB 3.28Å; V35-R39 WeakPolarHBondContact O-CG 3.36Å; V35-R39 PolarHBondContact O-N 2.94Å; V35-R39 VanDerWaalsContact O-N 3.09Å
36A91.1Very high87.2Confident50 Ų5089.5 Ų89.541%0.41345%0.453SS..Hα-helixtrans-64.3-48.8175.500000112.1L32 H33 R39 E40L32-A36 WeakPolarHBondContact O-CB 3.22Å; L32-A36 PolarHBondContact O-N 3.49Å; H33-A36 PolarHBondContact O-N 2.77Å; A36-R39 PolarHBondContact O-N 2.83Å; A36-E40 PolarHBondContact O-N 3.04Å; A36-E40 VanDerWaalsContact O-N 3.09Å
37A91.7Very high87.8Confident32 Ų3282.4 Ų82.426%0.26443%0.431SS..Hα-helixtrans-62.5-43.8178.600000112.1H33 A34 R39 E40 L41H33-A37 VanDerWaalsContact O-CB 3.32Å; H33-A37 WeakPolarHBondContact O-CB 3.44Å; H33-A37 PolarHBondContact O-N 2.89Å; A34-A37 PolarHBondContact O-N 2.85Å; A37-R39 VanDerWaalsContact C-N 3.32Å; A37-R39 PolarHBondContact O-N 2.81Å; A37-E40 PolarHBondContact O-N 2.86Å; A37-E40 VanDerWaalsContact O-N 3.15Å; A37-L41 WeakPolarHBondContact O-CB 3.47Å; A37-L41 PolarHBondContact O-N 3.41Å
38A91.3Very high88.3Confident56 Ų5683.3 Ų83.346%0.46342%0.423SS..Hα-helixtrans-61.8-38.417600000112.3A34 E40 A42A34-A38 VanDerWaalsContact O-CB 3.26Å; A34-A38 WeakPolarHBondContact O-CB 3.42Å; A34-A38 PolarHBondContact O-N 2.94Å; A38-E40 VanDerWaalsContact C-N 3.33Å; A38-E40 PolarHBondContact O-N 2.96Å; A38-A42 VanDerWaalsContact O-CB 3.24Å; A38-A42 WeakPolarHBondContact O-CB 3.44Å; A38-A42 PolarHBondContact O-N 2.97Å
39R92.1Very high88.3Confident173 Ų17380.7 Ų80.765%0.65341%0.414SS*.Hα-helixtrans-69.9-24.1175.2-74.7172.7-179.8-170.52.7113.9V35 A36 A37 R43V35-R39 WeakPolarHBondContact O-CB 3.28Å; V35-R39 WeakPolarHBondContact O-CG 3.36Å; V35-R39 PolarHBondContact O-N 2.94Å; V35-R39 VanDerWaalsContact O-N 3.09Å; A36-R39 PolarHBondContact O-N 2.83Å; A37-R39 VanDerWaalsContact C-N 3.32Å; A37-R39 PolarHBondContact O-N 2.81Å; R39-R43 PolarHBondContact O-NE 2.99Å; R39-R43 PolarHBondContact O-NH2 3.36Å
40E93.1Very high88.1Confident75 Ų7584.7 Ų84.735%0.3543%0.426SS..Hα-helixtrans-80.1-52.2170.7-169.660.1-110.800110.5A36 A37 A38 A42 R43 Q44A36-E40 PolarHBondContact O-N 3.04Å; A36-E40 VanDerWaalsContact O-N 3.09Å; A37-E40 PolarHBondContact O-N 2.86Å; A37-E40 VanDerWaalsContact O-N 3.15Å; A38-E40 VanDerWaalsContact C-N 3.33Å; A38-E40 PolarHBondContact O-N 2.96Å; E40-A42 VanDerWaalsContact C-N 3.28Å; E40-A42 PolarHBondContact O-N 3Å; E40-R43 VanDerWaalsContact CD-NH2 3.31Å; E40-R43 WeakPolarHBondContact O-CA 3.4Å; E40-R43 WeakPolarHBondContact O-CB 3.46Å; E40-R43 PolarHBondContact O-N 3.31Å; E40-R43 IonicContact OE1-CZ 3.56Å; E40-R43 IonicContact OE1-NH1 3.8Å; E40-R43 PolarHBondContact OE1-NH1 3.43Å; E40-R43 IonicContact OE1-NH2 3.65Å; E40-R43 IonicContact OE2-CZ 2.76Å; E40-R43 IonicContact OE2-NH1 2.69Å; E40-R43 PolarHBondContact OE2-NH1 3.49Å; E40-R43 IonicContact OE2-NH2 3.31Å; E40-R43 PolarHBondContact OE2-NH2 3.18Å; E40-Q44 HydrophobicContact CG-CG 4.48Å; E40-Q44 WeakPolarHBondContact O-CG 3.29Å; E40-Q44 PolarHBondContact O-N 3.4Å; E40-Q44 PolarHBondContact OE1-NE2 3.03Å
41L90.8Very high88.1Confident47 Ų4787 Ų8725%0.24643%0.43CS..Hα-helixtrans-53.1-44.5177.9-178.167.5000112.2A37 R43 Q44 Y45 F67A37-L41 WeakPolarHBondContact O-CB 3.47Å; A37-L41 PolarHBondContact O-N 3.41Å; L41-R43 VanDerWaalsContact C-N 3.32Å; L41-R43 PolarHBondContact O-N 3.19Å; L41-Q44 PolarHBondContact O-N 3.1Å; L41-Y45 VanDerWaalsContact O-CB 3.25Å; L41-Y45 WeakPolarHBondContact O-CB 3.33Å; L41-Y45 PolarHBondContact O-N 2.86Å; L41-F67 HydrophobicContact CD1-CD2 3.68Å; L41-F67 HydrophobicContact CD1-CE2 4.14Å; L41-F67 HydrophobicContact CD1-CG 4.19Å; L41-F67 HydrophobicContact CD2-CB 3.73Å; L41-F67 HydrophobicContact CD2-CD1 3.73Å; L41-F67 HydrophobicContact CD2-CD2 3.77Å; L41-F67 HydrophobicContact CD2-CE1 4.27Å; L41-F67 HydrophobicContact CD2-CE2 4.3Å; L41-F67 HydrophobicContact CD2-CG 3.45Å; L41-F67 VanDerWaalsContact CD2-CG 3.45Å; L41-F67 HydrophobicContact CG-CD2 4.28Å; L41-F67 HydrophobicContact CG-CG 4.41Å
42A89.3Confident87.7Confident47 Ų4784.7 Ų84.739%0.38842%0.419SS..Hα-helixtrans-62.6-35.5177.500000112.9A38 E40 W46A38-A42 VanDerWaalsContact O-CB 3.24Å; A38-A42 WeakPolarHBondContact O-CB 3.44Å; A38-A42 PolarHBondContact O-N 2.97Å; E40-A42 VanDerWaalsContact C-N 3.28Å; E40-A42 PolarHBondContact O-N 3Å; A42-W46 PolarHBondContact O-N 3.24Å
43R91.3Very high86.7Confident130 Ų13086 Ų8649%0.49143%0.432SS..Hα-helixtrans-68.8-48.2174.7-80178.8-76.3125.3-3.4111R39 E40 L41 Y45 W46 L47R39-R43 PolarHBondContact O-NE 2.99Å; R39-R43 PolarHBondContact O-NH2 3.36Å; E40-R43 VanDerWaalsContact CD-NH2 3.31Å; E40-R43 WeakPolarHBondContact O-CA 3.4Å; E40-R43 WeakPolarHBondContact O-CB 3.46Å; E40-R43 PolarHBondContact O-N 3.31Å; E40-R43 IonicContact OE1-CZ 3.56Å; E40-R43 IonicContact OE1-NH1 3.8Å; E40-R43 PolarHBondContact OE1-NH1 3.43Å; E40-R43 IonicContact OE1-NH2 3.65Å; E40-R43 IonicContact OE2-CZ 2.76Å; E40-R43 IonicContact OE2-NH1 2.69Å; E40-R43 PolarHBondContact OE2-NH1 3.49Å; E40-R43 IonicContact OE2-NH2 3.31Å; E40-R43 PolarHBondContact OE2-NH2 3.18Å; L41-R43 VanDerWaalsContact C-N 3.32Å; L41-R43 PolarHBondContact O-N 3.19Å; R43-Y45 VanDerWaalsContact C-N 3.32Å; R43-Y45 PolarHBondContact O-N 2.95Å; R43-W46 PolarHBondContact O-N 2.61Å; R43-L47 WeakPolarHBondContact O-CG 3.37Å; R43-L47 PolarHBondContact O-N 3.04Å
44Q90.1Very high85.4Confident100 Ų10090.7 Ų90.747%0.46745%0.454SS..Hα-helixtrans-62.1-39.5178.6-58.4-55.6-30.500112E40 L41 W46 L47 F48E40-Q44 HydrophobicContact CG-CG 4.48Å; E40-Q44 WeakPolarHBondContact O-CG 3.29Å; E40-Q44 PolarHBondContact O-N 3.4Å; E40-Q44 PolarHBondContact OE1-NE2 3.03Å; L41-Q44 PolarHBondContact O-N 3.1Å; Q44-W46 PolarHBondContact O-N 3.29Å; Q44-L47 PolarHBondContact O-N 3.05Å; Q44-F48 WeakPolarHBondContact O-CB 3.38Å; Q44-F48 PolarHBondContact O-N 2.68Å
45Y85.5Confident84Confident42 Ų4294 Ų9417%0.16546%0.459CS..Hα-helixtrans-57.1-47.8172.9167.1-96.7000112.6L41 R43 F48 A49 P57 L58 V63L41-Y45 VanDerWaalsContact O-CB 3.25Å; L41-Y45 WeakPolarHBondContact O-CB 3.33Å; L41-Y45 PolarHBondContact O-N 2.86Å; R43-Y45 VanDerWaalsContact C-N 3.32Å; R43-Y45 PolarHBondContact O-N 2.95Å; Y45-F48 PolarHBondContact O-N 2.84Å; Y45-A49 VanDerWaalsContact O-CB 3.27Å; Y45-A49 WeakPolarHBondContact O-CB 3.44Å; Y45-A49 PolarHBondContact O-N 3.19Å; Y45-P57 HydrophobicContact CE2-CB 4.38Å; Y45-L58 VanDerWaalsContact CE2-O 3.3Å; Y45-L58 WeakPolarHBondContact CE2-O 3.44Å; Y45-L58 PolarHBondContact OH-O 2.82Å; Y45-V63 HydrophobicContact CD2-CG1 4.34Å; Y45-V63 HydrophobicContact CD2-CG2 4.06Å; Y45-V63 HydrophobicContact CE2-CG2 4Å
46W85.4Confident82.2Confident171 Ų17194.9 Ų94.965%0.64847%0.473SS*.Hα-helixtrans-71.9-27.7179.4-77.3119.3000113.7A42 R43 Q44 R50A42-W46 PolarHBondContact O-N 3.24Å; R43-W46 PolarHBondContact O-N 2.61Å; Q44-W46 PolarHBondContact O-N 3.29Å; W46-R50 WeakPolarHBondContact O-CB 3.41Å; W46-R50 PolarHBondContact O-N 3.44Å
47L88.1Confident80.7Confident62 Ų6295.9 Ų95.933%0.32548%0.475SS..Hα-helixtrans-66.5-54.1169.6-67.2172.4000110.3R43 Q44 A49 R50 E51R43-L47 WeakPolarHBondContact O-CG 3.37Å; R43-L47 PolarHBondContact O-N 3.04Å; Q44-L47 PolarHBondContact O-N 3.05Å; L47-A49 PolarHBondContact O-N 3.33Å; L47-R50 WeakPolarHBondContact O-CB 3.42Å; L47-R50 PolarHBondContact O-N 3.49Å; L47-E51 PolarHBondContact O-N 3.34Å
48F84.9Confident79.2Confident115 Ų11598.8 Ų98.850%0.50449%0.486SS..Hα-helixtrans-56.9-45.3178.8-175.2-88.3000112.5Q44 Y45 R50 E51 H52Q44-F48 WeakPolarHBondContact O-CB 3.38Å; Q44-F48 PolarHBondContact O-N 2.68Å; Y45-F48 PolarHBondContact O-N 2.84Å; F48-R50 PolarHBondContact O-N 2.83Å; F48-E51 PolarHBondContact O-N 3Å; F48-H52 AromaticContact CD2-CD2 3.44Å; F48-H52 VanDerWaalsContact CD2-CD2 3.44Å; F48-H52 WeakPolarHBondContact CD2-CD2 3.48Å; F48-H52 AromaticContact CD2-NE2 3.91Å; F48-H52 HydrophobicContact CE1-CB 4.37Å; F48-H52 AromaticContact CE2-CD2 3.31Å; F48-H52 WeakPolarHBondContact CE2-CD2 3.33Å; F48-H52 AromaticContact CE2-NE2 3.68Å; F48-H52 AromaticContact CG-CD2 3.89Å; F48-H52 HydrophobicContact CZ-CB 4.47Å; F48-H52 AromaticContact CZ-CD2 3.66Å; F48-H52 PolarHBondContact O-CD2 3.3Å; F48-H52 PolarHBondContact O-N 2.87Å
49A82.2Confident78.1Confident18 Ų18102.2 Ų102.215%0.14949%0.487CS..Hα-helixtrans-63.4-25.817800000113.6Y45 L47 P57Y45-A49 VanDerWaalsContact O-CB 3.27Å; Y45-A49 WeakPolarHBondContact O-CB 3.44Å; Y45-A49 PolarHBondContact O-N 3.19Å; L47-A49 PolarHBondContact O-N 3.33Å; A49-P57 HydrophobicContact CB-CB 3.95Å
50R81.7Confident77.1Confident167 Ų16796.8 Ų96.863%0.6348%0.479SS*.Hα-helixtrans-86.7-31.8176.9-173.2-17665.3-170.6-1112.3W46 L47 F48W46-R50 WeakPolarHBondContact O-CB 3.41Å; W46-R50 PolarHBondContact O-N 3.44Å; L47-R50 WeakPolarHBondContact O-CB 3.42Å; L47-R50 PolarHBondContact O-N 3.49Å; F48-R50 PolarHBondContact O-N 2.83Å
51E83.8Confident75.9Confident120 Ų12097.8 Ų97.856%0.56148%0.484SS*.Hα-helixtrans-84.1-22.1179.7-75.3157.3-148.900112.8L47 F48 P53L47-E51 PolarHBondContact O-N 3.34Å; F48-E51 PolarHBondContact O-N 3Å; E51-P53 VanDerWaalsContact C-CD 3.46Å; E51-P53 WeakPolarHBondContact O-CD 3.41Å
52H75.9Confident74.9Confident80 Ų8098.4 Ų98.437%0.3749%0.487SS..  trans-122.759.2177.4-58.8-69.4000114.9F48 Q54 H55F48-H52 AromaticContact CD2-CD2 3.44Å; F48-H52 VanDerWaalsContact CD2-CD2 3.44Å; F48-H52 WeakPolarHBondContact CD2-CD2 3.48Å; F48-H52 AromaticContact CD2-NE2 3.91Å; F48-H52 HydrophobicContact CE1-CB 4.37Å; F48-H52 AromaticContact CE2-CD2 3.31Å; F48-H52 WeakPolarHBondContact CE2-CD2 3.33Å; F48-H52 AromaticContact CE2-NE2 3.68Å; F48-H52 AromaticContact CG-CD2 3.89Å; F48-H52 HydrophobicContact CZ-CB 4.47Å; F48-H52 AromaticContact CZ-CD2 3.66Å; F48-H52 PolarHBondContact O-CD2 3.3Å; F48-H52 PolarHBondContact O-N 2.87Å; H52-Q54 PolarHBondContact O-N 3.37Å; H52-H55 HydrophobicContact CB-CB 4.49Å; H52-H55 PolarHBondContact O-N 2.62Å
53P67.4Low74.4Confident100 Ų10097.6 Ų97.665%0.64948%0.477SS*.THydrogen-bonded Turntrans-59.9-17.3-175.2-24.234.8000116.3E51E51-P53 VanDerWaalsContact C-CD 3.46Å; E51-P53 WeakPolarHBondContact O-CD 3.41Å
54Q61.9Low73.9Confident195 Ų19594 Ų9491%0.91147%0.472SS*.THydrogen-bonded Turntrans-80.8-20.7177.4-57.8-169.627.600112.8H52 A56H52-Q54 PolarHBondContact O-N 3.37Å; Q54-A56 PolarHBondContact O-N 2.91Å
55H58.2Low73.2Confident129 Ų12994.7 Ų94.760%0.59748%0.478SS*.SBendtrans-90.195.7166-66.7-62.6000107.6H52 P57H52-H55 HydrophobicContact CB-CB 4.49Å; H52-H55 PolarHBondContact O-N 2.62Å; H55-P57 VanDerWaalsContact O-N 3.11Å
56A51.1Low72.8Confident83 Ų8397.5 Ų97.569%0.68649%0.493SS*.PPolyproline II helixtrans-48.7121.6175.800000109.3Q54 L58Q54-A56 PolarHBondContact O-N 2.91Å; A56-L58 PolarHBondContact O-N 3.27Å; A56-L58 VanDerWaalsContact O-N 3.07Å
57P58.1Low72.8Confident71 Ų7192.6 Ų92.646%0.46148%0.476SS..PPolyproline II helixtrans-61.5119.4-166.321-32.3000110.1Y45 A49 H55 R59Y45-P57 HydrophobicContact CE2-CB 4.38Å; A49-P57 HydrophobicContact CB-CB 3.95Å; H55-P57 VanDerWaalsContact O-N 3.11Å; P57-R59 PolarHBondContact O-N 3.26Å
58L61.3Low72.6Confident93 Ų9392.7 Ų92.749%0.48748%0.48SS..PPolyproline II helixtrans-51.3126.7173.1-70.7175.4000107.8Y45 A56 A60 V63Y45-L58 VanDerWaalsContact CE2-O 3.3Å; Y45-L58 WeakPolarHBondContact CE2-O 3.44Å; Y45-L58 PolarHBondContact OH-O 2.82Å; A56-L58 PolarHBondContact O-N 3.27Å; A56-L58 VanDerWaalsContact O-N 3.07Å; L58-A60 PolarHBondContact O-N 2.8Å; L58-V63 HydrophobicContact CB-CG2 3.66Å; L58-V63 WeakPolarHBondContact O-CG2 3.49Å
59R68.9Low72.2Confident128 Ų12889.6 Ų89.648%0.48347%0.468SS..PPolyproline II helixtrans-53.5145.6-176.1-53.7175.151.8124.81.1110.3P57 E61 L62 V63P57-R59 PolarHBondContact O-N 3.26Å; R59-E61 WeakPolarHBondContact CB-OE2 3.33Å; R59-E61 IonicContact CZ-OE1 3.74Å; R59-E61 IonicContact CZ-OE2 3.1Å; R59-E61 IonicContact NE-OE1 3.27Å; R59-E61 IonicContact NE-OE2 3.06Å; R59-E61 PolarHBondContact NE-OE2 3.45Å; R59-E61 IonicContact NH2-OE1 2.68Å; R59-E61 PolarHBondContact NH2-OE1 3.26Å; R59-E61 IonicContact NH2-OE2 3.51Å; R59-E61 PolarHBondContact O-N 2.82Å; R59-L62 WeakPolarHBondContact O-CB 3.14Å; R59-L62 PolarHBondContact O-N 2.93Å; R59-V63 PolarHBondContact O-N 2.86Å
60A69.9Low72.3Confident59 Ų5992.5 Ų92.549%0.48848%0.481SS..Hα-helixtrans-54.9-27.5-174.600000113.6L58 S64L58-A60 PolarHBondContact O-N 2.8Å; A60-S64 WeakPolarHBondContact O-CB 3.47Å; A60-S64 PolarHBondContact O-N 3.3Å; A60-S64 PolarHBondContact O-OG 3.27Å
61E67.9Low72.7Confident96 Ų9689 Ų8945%0.44947%0.47SS..Hα-helixtrans-72.2-28.4175.7-44.792.2156.100113.4R59 S64 L65R59-E61 WeakPolarHBondContact CB-OE2 3.33Å; R59-E61 IonicContact CZ-OE1 3.74Å; R59-E61 IonicContact CZ-OE2 3.1Å; R59-E61 IonicContact NE-OE1 3.27Å; R59-E61 IonicContact NE-OE2 3.06Å; R59-E61 PolarHBondContact NE-OE2 3.45Å; R59-E61 IonicContact NH2-OE1 2.68Å; R59-E61 PolarHBondContact NH2-OE1 3.26Å; R59-E61 IonicContact NH2-OE2 3.51Å; R59-E61 PolarHBondContact O-N 2.82Å; E61-S64 PolarHBondContact O-OG 2.88Å; E61-L65 WeakPolarHBondContact O-CD1 3.3Å; E61-L65 WeakPolarHBondContact O-CG 3.48Å; E61-L65 PolarHBondContact O-N 3.32Å
62L69.8Low72.6Confident61 Ų6188.2 Ų88.232%0.31947%0.467SS..Hα-helixtrans-78.5-40.3174.1-61.8176.4000111R59 L65 Q66R59-L62 WeakPolarHBondContact O-CB 3.14Å; R59-L62 PolarHBondContact O-N 2.93Å; L62-L65 PolarHBondContact O-N 2.95Å; L62-Q66 PolarHBondContact O-N 3.23Å
63V79.9Confident72.7Confident30 Ų3089 Ų8918%0.18247%0.466CS..Hα-helixtrans-65.8-39.3176.5179.80000110.8Y45 L58 R59 Q66 F67Y45-V63 HydrophobicContact CD2-CG1 4.34Å; Y45-V63 HydrophobicContact CD2-CG2 4.06Å; Y45-V63 HydrophobicContact CE2-CG2 4Å; L58-V63 HydrophobicContact CB-CG2 3.66Å; L58-V63 WeakPolarHBondContact O-CG2 3.49Å; R59-V63 PolarHBondContact O-N 2.86Å; V63-Q66 PolarHBondContact O-N 2.67Å; V63-F67 VanDerWaalsContact O-CB 3.23Å; V63-F67 WeakPolarHBondContact O-CB 3.44Å; V63-F67 PolarHBondContact O-N 3.45Å
64S79.6Confident73.4Confident54 Ų5491 Ų9138%0.37846%0.462SS..Hα-helixtrans-67.9-37.7176.1670000112.7A60 E61 F67 T68A60-S64 WeakPolarHBondContact O-CB 3.47Å; A60-S64 PolarHBondContact O-N 3.3Å; A60-S64 PolarHBondContact O-OG 3.27Å; E61-S64 PolarHBondContact O-OG 2.88Å; S64-F67 PolarHBondContact O-N 2.93Å; S64-T68 WeakPolarHBondContact O-CG2 3.32Å; S64-T68 PolarHBondContact O-N 2.99Å; S64-T68 PolarHBondContact O-OG1 2.96Å
65L76.4Confident74.5Confident115 Ų11587 Ų8760%0.60244%0.442SS*.Hα-helixtrans-65-40.8173.9-75.8169.9000112.9E61 L62 T68 D69E61-L65 WeakPolarHBondContact O-CD1 3.3Å; E61-L65 WeakPolarHBondContact O-CG 3.48Å; E61-L65 PolarHBondContact O-N 3.32Å; L62-L65 PolarHBondContact O-N 2.95Å; L65-T68 PolarHBondContact O-OG1 2.83Å; L65-T68 VanDerWaalsContact O-OG1 3.14Å; L65-D69 PolarHBondContact O-N 2.84Å
66Q75.6Confident75.4Confident101 Ų10184.8 Ų84.847%0.47244%0.44SS..Hα-helixtrans-68.7-38.9173.4-72.5-177.7-27.500111.6L62 V63 L70L62-Q66 PolarHBondContact O-N 3.23Å; V63-Q66 PolarHBondContact O-N 2.67Å; Q66-L70 VanDerWaalsContact O-CG 3.32Å; Q66-L70 WeakPolarHBondContact O-CG 3.33Å; Q66-L70 PolarHBondContact O-N 2.77Å; Q66-L70 VanDerWaalsContact O-N 3.11Å
67F85.5Confident76.6Confident67 Ų6786.9 Ų86.929%0.29443%0.43SS..Hα-helixtrans-64.4-41.4176.8176.8-96.6000112.4L41 V63 S64 L70 F71L41-F67 HydrophobicContact CD1-CD2 3.68Å; L41-F67 HydrophobicContact CD1-CE2 4.14Å; L41-F67 HydrophobicContact CD1-CG 4.19Å; L41-F67 HydrophobicContact CD2-CB 3.73Å; L41-F67 HydrophobicContact CD2-CD1 3.73Å; L41-F67 HydrophobicContact CD2-CD2 3.77Å; L41-F67 HydrophobicContact CD2-CE1 4.27Å; L41-F67 HydrophobicContact CD2-CE2 4.3Å; L41-F67 HydrophobicContact CD2-CG 3.45Å; L41-F67 VanDerWaalsContact CD2-CG 3.45Å; L41-F67 HydrophobicContact CG-CD2 4.28Å; L41-F67 HydrophobicContact CG-CG 4.41Å; V63-F67 VanDerWaalsContact O-CB 3.23Å; V63-F67 WeakPolarHBondContact O-CB 3.44Å; V63-F67 PolarHBondContact O-N 3.45Å; S64-F67 PolarHBondContact O-N 2.93Å; F67-L70 PolarHBondContact O-N 2.89Å; F67-F71 HydrophobicContact CD1-CB 4.41Å; F67-F71 HydrophobicContact CE1-CB 4.12Å; F67-F71 HydrophobicContact CE1-CD2 4.29Å; F67-F71 HydrophobicContact CE1-CG 4.33Å; F67-F71 HydrophobicContact CZ-CB 4.29Å; F67-F71 HydrophobicContact CZ-CD2 4.02Å; F67-F71 HydrophobicContact CZ-CG 4.44Å; F67-F71 WeakPolarHBondContact O-CA 3.48Å; F67-F71 WeakPolarHBondContact O-CB 3.3Å; F67-F71 PolarHBondContact O-N 3.48Å
68T84.3Confident77.8Confident65 Ų6589.5 Ų89.540%0.39944%0.436SS..Hα-helixtrans-67.7-40.1-179.548.90000112.7S64 L65 F71 Q72S64-T68 WeakPolarHBondContact O-CG2 3.32Å; S64-T68 PolarHBondContact O-N 2.99Å; S64-T68 PolarHBondContact O-OG1 2.96Å; L65-T68 PolarHBondContact O-OG1 2.83Å; L65-T68 VanDerWaalsContact O-OG1 3.14Å; T68-F71 PolarHBondContact O-N 2.85Å; T68-Q72 VanDerWaalsContact O-CG 3.25Å; T68-Q72 WeakPolarHBondContact O-CG 3.44Å; T68-Q72 PolarHBondContact O-N 3.42Å
69D76.6Confident78.6Confident50 Ų5089.6 Ų89.627%0.26744%0.44SS..Hα-helixtrans-61.5-46.6173.4172.953.5000112L65 R73L65-D69 PolarHBondContact O-N 2.84Å; D69-R73 WeakPolarHBondContact O-CD 3.37Å; D69-R73 VanDerWaalsContact O-CG 3.27Å; D69-R73 WeakPolarHBondContact O-CG 3.39Å; D69-R73 PolarHBondContact O-N 3.21Å; D69-R73 IonicContact OD1-CZ 3.99Å; D69-R73 IonicContact OD1-NE 3.9Å; D69-R73 PolarHBondContact OD1-NE 2.84Å; D69-R73 IonicContact OD1-NH2 3.86Å; D69-R73 PolarHBondContact OD1-NH2 3.46Å; D69-R73 IonicContact OD2-CZ 2.75Å; D69-R73 IonicContact OD2-NE 2.71Å; D69-R73 PolarHBondContact OD2-NE 2.88Å; D69-R73 IonicContact OD2-NH1 3.87Å; D69-R73 PolarHBondContact OD2-NH1 3.29Å; D69-R73 IonicContact OD2-NH2 2.93Å; D69-R73 PolarHBondContact OD2-NH2 3.08Å
70L84.5Confident78.7Confident78 Ų7892.3 Ų92.341%0.40845%0.45SS..Hα-helixtrans-67.2-44176-67.3174.7000112.1Q66 F67 Q72 R73 Y74Q66-L70 VanDerWaalsContact O-CG 3.32Å; Q66-L70 WeakPolarHBondContact O-CG 3.33Å; Q66-L70 PolarHBondContact O-N 2.77Å; Q66-L70 VanDerWaalsContact O-N 3.11Å; F67-L70 PolarHBondContact O-N 2.89Å; L70-Q72 PolarHBondContact O-N 3.08Å; L70-R73 PolarHBondContact O-N 2.74Å; L70-Y74 HydrophobicContact CB-CD2 4.43Å; L70-Y74 HydrophobicContact CD2-CE2 4.36Å; L70-Y74 WeakPolarHBondContact O-CD2 3.1Å; L70-Y74 PolarHBondContact O-N 3.13Å
71F89.1Confident78.9Confident95 Ų9593.6 Ų93.642%0.41745%0.449SS..Hα-helixtrans-58.4-45.7179.4175.9-93.2000111.1F67 T68 R73 Y74 F75F67-F71 HydrophobicContact CD1-CB 4.41Å; F67-F71 HydrophobicContact CE1-CB 4.12Å; F67-F71 HydrophobicContact CE1-CD2 4.29Å; F67-F71 HydrophobicContact CE1-CG 4.33Å; F67-F71 HydrophobicContact CZ-CB 4.29Å; F67-F71 HydrophobicContact CZ-CD2 4.02Å; F67-F71 HydrophobicContact CZ-CG 4.44Å; F67-F71 WeakPolarHBondContact O-CA 3.48Å; F67-F71 WeakPolarHBondContact O-CB 3.3Å; F67-F71 PolarHBondContact O-N 3.48Å; T68-F71 PolarHBondContact O-N 2.85Å; F71-R73 PolarHBondContact O-N 2.79Å; F71-Y74 PolarHBondContact O-N 3.13Å; F71-F75 HydrophobicContact CD1-CB 4.45Å; F71-F75 HydrophobicContact CE1-CB 4.14Å; F71-F75 HydrophobicContact CE1-CG 4.25Å; F71-F75 HydrophobicContact CZ-CB 4.18Å; F71-F75 HydrophobicContact CZ-CD2 4.06Å; F71-F75 HydrophobicContact CZ-CG 4.15Å; F71-F75 WeakPolarHBondContact O-CB 3.37Å; F71-F75 PolarHBondContact O-N 2.83Å
72Q82.1Confident78.1Confident103 Ų10391.5 Ų91.548%0.48145%0.453SS..Hα-helixtrans-58.5-48.1176.1-73169.818.800111.5T68 L70 Y74 C76T68-Q72 VanDerWaalsContact O-CG 3.25Å; T68-Q72 WeakPolarHBondContact O-CG 3.44Å; T68-Q72 PolarHBondContact O-N 3.42Å; L70-Q72 PolarHBondContact O-N 3.08Å; Q72-Y74 PolarHBondContact O-N 2.99Å; Q72-C76 VanDerWaalsContact O-CB 3.3Å; Q72-C76 WeakPolarHBondContact O-CB 3Å; Q72-C76 PolarHBondContact O-N 2.74Å; Q72-C76 PolarHBondContact O-SG 3.35Å; Q72-C76 VanDerWaalsContact O-SG 3.34Å
73R78.1Confident77.3Confident96 Ų96100 Ų10036%0.36248%0.481SS..Hα-helixtrans-61.4-43.8-179.5-66.1166.9-170.2-171.92.6112.7D69 L70 F71 R77D69-R73 WeakPolarHBondContact O-CD 3.37Å; D69-R73 VanDerWaalsContact O-CG 3.27Å; D69-R73 WeakPolarHBondContact O-CG 3.39Å; D69-R73 PolarHBondContact O-N 3.21Å; D69-R73 IonicContact OD1-CZ 3.99Å; D69-R73 IonicContact OD1-NE 3.9Å; D69-R73 PolarHBondContact OD1-NE 2.84Å; D69-R73 IonicContact OD1-NH2 3.86Å; D69-R73 PolarHBondContact OD1-NH2 3.46Å; D69-R73 IonicContact OD2-CZ 2.75Å; D69-R73 IonicContact OD2-NE 2.71Å; D69-R73 PolarHBondContact OD2-NE 2.88Å; D69-R73 IonicContact OD2-NH1 3.87Å; D69-R73 PolarHBondContact OD2-NH1 3.29Å; D69-R73 IonicContact OD2-NH2 2.93Å; D69-R73 PolarHBondContact OD2-NH2 3.08Å; L70-R73 PolarHBondContact O-N 2.74Å; F71-R73 PolarHBondContact O-N 2.79Å; R73-R77 WeakPolarHBondContact O-CB 3.23Å; R73-R77 PolarHBondContact O-N 2.73Å
74Y82.4Confident75.6Confident143 Ų143102.6 Ų102.656%0.56151%0.505SS*.Hα-helixtrans-77.6-41.1179.4-72.6-68.2000112.4L70 F71 Q72 R77 E78L70-Y74 HydrophobicContact CB-CD2 4.43Å; L70-Y74 HydrophobicContact CD2-CE2 4.36Å; L70-Y74 WeakPolarHBondContact O-CD2 3.1Å; L70-Y74 PolarHBondContact O-N 3.13Å; F71-Y74 PolarHBondContact O-N 3.13Å; Q72-Y74 PolarHBondContact O-N 2.99Å; Y74-R77 WeakPolarHBondContact O-CA 3.25Å; Y74-R77 WeakPolarHBondContact O-CB 3.32Å; Y74-R77 PolarHBondContact O-N 3.42Å; Y74-R77 VanDerWaalsContact O-N 3.14Å; Y74-E78 WeakPolarHBondContact O-CG 3.36Å; Y74-E78 PolarHBondContact O-N 3.08Å
75F85.2Confident74Confident110 Ų110106.2 Ų106.248%0.48253%0.527SS..Hα-helixtrans-62.6-47.1178179.9-99.9000112.1F71 R77 E78 V79F71-F75 HydrophobicContact CD1-CB 4.45Å; F71-F75 HydrophobicContact CE1-CB 4.14Å; F71-F75 HydrophobicContact CE1-CG 4.25Å; F71-F75 HydrophobicContact CZ-CB 4.18Å; F71-F75 HydrophobicContact CZ-CD2 4.06Å; F71-F75 HydrophobicContact CZ-CG 4.15Å; F71-F75 WeakPolarHBondContact O-CB 3.37Å; F71-F75 PolarHBondContact O-N 2.83Å; F75-R77 PolarHBondContact O-N 2.71Å; F75-E78 PolarHBondContact O-N 2.94Å; F75-V79 HydrophobicContact CD1-CG2 4.23Å; F75-V79 HydrophobicContact CD2-CG2 4.35Å; F75-V79 HydrophobicContact CE1-CG2 3.84Å; F75-V79 HydrophobicContact CE2-CG2 3.97Å; F75-V79 HydrophobicContact CG-CG2 4.48Å; F75-V79 HydrophobicContact CZ-CG2 3.7Å; F75-V79 WeakPolarHBondContact O-CB 3.14Å; F75-V79 WeakPolarHBondContact O-CG2 3.33Å; F75-V79 PolarHBondContact O-N 3.26Å
76C76.4Confident72.3Confident82 Ų82104 Ų10455%0.55453%0.533SS*.Hα-helixtrans-64-26.4175.7-68.20000112.6Q72 R80Q72-C76 VanDerWaalsContact O-CB 3.3Å; Q72-C76 WeakPolarHBondContact O-CB 3Å; Q72-C76 PolarHBondContact O-N 2.74Å; Q72-C76 PolarHBondContact O-SG 3.35Å; Q72-C76 VanDerWaalsContact O-SG 3.34Å; C76-R80 WeakPolarHBondContact O-CB 3.1Å; C76-R80 PolarHBondContact O-N 2.68Å
77R77.4Confident70.4Confident128 Ų128111 Ų11148%0.48356%0.555SS.*Hα-helixtrans-71-55.1170.2178.8179.4-179.6179.9-1.8111.4R73 Y74 F75 V79 R80 D81R73-R77 WeakPolarHBondContact O-CB 3.23Å; R73-R77 PolarHBondContact O-N 2.73Å; Y74-R77 WeakPolarHBondContact O-CA 3.25Å; Y74-R77 WeakPolarHBondContact O-CB 3.32Å; Y74-R77 PolarHBondContact O-N 3.42Å; Y74-R77 VanDerWaalsContact O-N 3.14Å; F75-R77 PolarHBondContact O-N 2.71Å; R77-V79 VanDerWaalsContact C-N 3.26Å; R77-V79 PolarHBondContact O-N 3.3Å; R77-R80 PolarHBondContact O-N 3.13Å; R77-D81 WeakPolarHBondContact CG-OD2 3.45Å; R77-D81 IonicContact CZ-OD2 2.77Å; R77-D81 IonicContact NE-OD2 2.99Å; R77-D81 PolarHBondContact NE-OD2 2.73Å; R77-D81 WeakPolarHBondContact O-CB 3.47Å; R77-D81 VanDerWaalsContact O-CG 3.23Å; R77-D81 PolarHBondContact O-N 3.22Å
78E82.3Confident68.5Low126 Ų126115.3 Ų115.359%0.58958%0.581SS**Hα-helixtrans-59-36-179.2-66.3-57.8130.900112.3Y74 F75 G82Y74-E78 WeakPolarHBondContact O-CG 3.36Å; Y74-E78 PolarHBondContact O-N 3.08Å; F75-E78 PolarHBondContact O-N 2.94Å; E78-G82 VanDerWaalsContact O-CA 3.27Å; E78-G82 WeakPolarHBondContact O-CA 3.28Å; E78-G82 PolarHBondContact O-N 3.12Å
79V78.4Confident66.1Low94 Ų94121 Ų12157%0.5760%0.597SS**Hα-helixtrans-69-34.9175.3171.60000112.5F75 R77F75-V79 HydrophobicContact CD1-CG2 4.23Å; F75-V79 HydrophobicContact CD2-CG2 4.35Å; F75-V79 HydrophobicContact CE1-CG2 3.84Å; F75-V79 HydrophobicContact CE2-CG2 3.97Å; F75-V79 HydrophobicContact CG-CG2 4.48Å; F75-V79 HydrophobicContact CZ-CG2 3.7Å; F75-V79 WeakPolarHBondContact O-CB 3.14Å; F75-V79 WeakPolarHBondContact O-CG2 3.33Å; F75-V79 PolarHBondContact O-N 3.26Å; R77-V79 VanDerWaalsContact C-N 3.26Å; R77-V79 PolarHBondContact O-N 3.3Å
80R71.8Confident64.4Low186 Ų186128.2 Ų128.270%0.70262%0.62SS**Hα-helixtrans-76.7-40.4176.7179.3-177.363.3-149.3-6.2112.4C76 R77 G82C76-R80 WeakPolarHBondContact O-CB 3.1Å; C76-R80 PolarHBondContact O-N 2.68Å; R77-R80 PolarHBondContact O-N 3.13Å; R80-G82 VanDerWaalsContact C-N 3.27Å
81D73.8Confident61.9Low86 Ų86130.5 Ų130.546%0.4663%0.632SS.*Hα-helixtrans-78.5-19.3-179-59.23.4000110R77 R83R77-D81 WeakPolarHBondContact CG-OD2 3.45Å; R77-D81 IonicContact CZ-OD2 2.77Å; R77-D81 IonicContact NE-OD2 2.99Å; R77-D81 PolarHBondContact NE-OD2 2.73Å; R77-D81 WeakPolarHBondContact O-CB 3.47Å; R77-D81 VanDerWaalsContact O-CG 3.23Å; R77-D81 PolarHBondContact O-N 3.22Å; D81-R83 PolarHBondContact O-N 3.5Å
82G51.2Low59.3Low52 Ų52132.2 Ų132.254%0.53665%0.651SS.*  trans-7364.2-178.200000116.7E78 R80 A84E78-G82 VanDerWaalsContact O-CA 3.27Å; E78-G82 WeakPolarHBondContact O-CA 3.28Å; E78-G82 PolarHBondContact O-N 3.12Å; R80-G82 VanDerWaalsContact C-N 3.27Å; G82-A84 PolarHBondContact O-N 3.44Å
83R53.6Low56.8Low240 Ų240130.8 Ų130.891%0.90666%0.664SS**PPolyproline II helixtrans-63.1118.1164-174.3179.4-178-159.7-1.7109.7D81D81-R83 PolarHBondContact O-N 3.5Å
84A44.2Very low54.6Low83 Ų83138 Ų13869%0.68669%0.691SS**PPolyproline II helixtrans-52134.3-175.600000112.9G82 G86G82-A84 PolarHBondContact O-N 3.44Å; A84-G86 PolarHBondContact O-N 2.78Å
85P45.3Very low52Low130 Ų130134.1 Ų134.184%0.84470%0.695SS**PPolyproline II helixtrans-63.5132.3-178.725.3-33.5000111
86G40.5Very low50.4Low70 Ų70135 Ų13572%0.72271%0.712SS**PPolyproline II helixtrans-65.4147.6-166.900000114.6A84A84-G86 PolarHBondContact O-N 2.78Å
87R36.1Very low49.2Very low248 Ų248136.5 Ų136.594%0.93672%0.72SS**  trans-122.649.5174.3-159.4-180-167.9-114.24.6111Y89R87-Y89 PolarHBondContact O-N 3.45Å
88D44.3Very low47.1Very low156 Ų156134.8 Ų134.883%0.83473%0.734SS**  trans-68.2113.2176.9-70.4-46.4000110.6
89Y35.3Very low44.7Very low186 Ų186138 Ų13873%0.72975%0.746SS**  trans-153.798.6169.1-137.8-99000112.1R87R87-Y89 PolarHBondContact O-N 3.45Å
90R41.2Very low42.5Very low200 Ų200137 Ų13776%0.75575%0.747SS**  trans71159.4167.5-61.2-178-173.7159.53.5116.1
91D31.9Very low40.6Very low126 Ų126136.9 Ų136.967%0.67476%0.755SS**  cis-137.8177.94.8-139.4-58.9000113.6
92T34.1Very low38.5Very low131 Ų131137.4 Ų137.480%0.80477%0.771SS**  trans-62.8158-176.652.40000116.1
93G29.4Very low37.4Very low74 Ų74140.4 Ų140.476%0.76378%0.783SS**  trans173.169.5171.800000119.6
94R32.2Very low37Very low246 Ų246134.9 Ų134.993%0.92878%0.779SS**  trans19114.4143.3177.1-168.9-87.2-108.23.3119
95G27.7Very low36.4Very low62 Ų62138.7 Ų138.764%0.63978%0.782SS**  trans-95.2-15414800000111.1
96P50.7Low36.1Very low130 Ų130138 Ų13884%0.84478%0.778SS**  cis-121-141.4-24.633.6-10.3000108
97P51.8Low35.7Very low112 Ų112137.4 Ų137.473%0.72777%0.772SS**  cis-142.1-174.7-8.443.3-24000117.9
98A33.1Very low35.9Very low93 Ų93132.3 Ų132.377%0.76977%0.771SS**  trans80.9151.315000000118.4
99K31.9Very low35Very low194 Ų194128.7 Ų128.784%0.84377%0.77SS**  cis-161.8163.5-1.6-141.9-174.6176.2-169.60112.1
100A32.9Very low34.8Very low71 Ų71128.6 Ų128.659%0.58778%0.782SS**  trans63.8128.7155.700000117.9
101E30.6Very low34.1Very low185 Ų185124.1 Ų124.186%0.86479%0.787SS**  68.6132.366.8-67176.6104.300113.7
102A30.1Very low34.4Very low97 Ų97122.9 Ų122.980%0.80279%0.794SS**  cis-158.4176.4-4.300000112.1
103S29.1Very low35Very low114 Ų114123 Ų12380%0.79780%0.797SS**  trans-69.8177.1178.2-42.40000114.1
104P43.8Very low34.9Very low124 Ų124122.6 Ų122.681%0.80579%0.794SS**  cis-141.3-176.110.843.1-22.8000118.5
105E32Very low35Very low163 Ų163119.1 Ų119.176%0.76279%0.792SS**  trans-52.6165.6160.4-79.4-72.6128.300114
106P39.8Very low36Very low117 Ų117120.9 Ų120.976%0.7679%0.793SS**  cis-136.2168.222.541.9-24.5000118.8
107G31.5Very low35Very low57 Ų57124.5 Ų124.559%0.58880%0.795SS**  trans-70.2168.916400000114
108P40.4Very low34.1Very low140 Ų140122.8 Ų122.891%0.90979%0.791SS**  -145.1174.558.341.4-24.3000116.2
109G25.7Very low33.9Very low80 Ų80130.2 Ų130.283%0.82580%0.798SS**  trans157.2118.6161.500000118.1
110L30.4Very low33.7Very low185 Ų185125.9 Ų125.997%0.96979%0.793SS**  trans-61148.2174.2-71148.6000115.5
111A28Very low33.6Very low105 Ų105126.8 Ų126.887%0.86880%0.795SS**  trans-158140.7147.600000112.4
112A37.5Very low33.4Very low100 Ų100126.1 Ų126.183%0.82679%0.792SS**  trans-159149.2172.500000111.4
113P45.8Very low33.4Very low133 Ų133129.4 Ų129.486%0.86479%0.791SS**  trans-128.8133.1176.537.3-22.5000116.8
114G28.8Very low33.5Very low67 Ų67131.4 Ų131.469%0.69179%0.791SS**  94.497.3125.600000123
115L34.2Very low32.7Very low172 Ų172129.6 Ų129.690%0.90179%0.787SS**  trans69.4162.5133.7-67.3156.9000119.9
116P47.7Very low33.4Very low100 Ų100127.5 Ų127.565%0.64979%0.788SS**  cis-139.7153-26.934-15.4000117.2
117K30.9Very low33.9Very low206 Ų206127.2 Ų127.290%0.89679%0.786SS**  trans64.5151.6146.4-71.5179.1175.2173.80120.3
118A31.3Very low33.8Very low76 Ų76136 Ų13663%0.62880%0.801SS**  cis-171.1148.2-17.200000114.2
119R30.1Very low34.5Very low248 Ų248134.7 Ų134.794%0.93679%0.792SS**  trans68.4152.1156.5-67.3168.9-179.8176-2.9117.2
120S26.7Very low35Very low104 Ų104137 Ų13773%0.72779%0.793SS**  cis-146.9161.218.9-153.60000115.2
121S30.2Very low35Very low89 Ų89131.4 Ų131.462%0.62278%0.78SS**  trans-15.4164.1160.6-590000121.5
122E27.1Very low35.8Very low171 Ų171132.2 Ų132.280%0.79978%0.776SS**  cis-162.4143.9-7-111.6141.860.300104.9
123E30.1Very low35.2Very low167 Ų167133.1 Ų133.178%0.7878%0.775SS**  cis86.2138.944.2-140-171.4129.900116.3
124L30.5Very low34.3Very low155 Ų155130.7 Ų130.781%0.81276%0.762SS**  trans72.6145.7174-51176.2000116.9
125A28.3Very low34.2Very low86 Ų86136.4 Ų136.471%0.71177%0.768SS**  cis-163.7167.7-14.300000110.8
126P47.1Very low34.2Very low120 Ų120134.5 Ų134.578%0.77975%0.754SS**  trans-99-174.4175.442-37.5000112.6
127P49.3Very low33.4Very low111 Ų111136.1 Ų136.172%0.72175%0.753SS**  cis-137.9175.7-3.542.3-25000117.8
128R28.8Very low33.3Very low241 Ų241133.6 Ų133.691%0.90974%0.742SS**  trans77.1163.4151.6-85.6-176.1171.9151.50.7121
129P55.1Low33.2Very low112 Ų112139.1 Ų139.173%0.72775%0.747SS**  trans-112.2175.5-153.744.7-38.1000116.2
130P37.4Very low33.3Very low128 Ų128139 Ų13983%0.83175%0.747SS**  -143.3-176.498.838.7-23000115.1
131G29.2Very low33.4Very low68 Ų68138.9 Ų138.970%0.70175%0.745SS**  trans-92.3-149.2170.600000113
132P45.4Very low33.5Very low122 Ų122142.7 Ų142.779%0.79276%0.758SS**  cis-136.1-1441.139.9-17.8000112.6
133C26Very low33.7Very low119 Ų119144.5 Ų144.580%0.80476%0.758SS**  trans75154.2162-75.60000118.4
134S25.9Very low33.9Very low83 Ų83144.9 Ų144.958%0.5876%0.759SS**  cis-172.2117.5-12.1157.80000113.5
135F27.4Very low34.3Very low186 Ų186143.8 Ų143.882%0.81675%0.752SS**  trans58.5174.9140.4-74.4-68.9000119.5
136Q32.7Very low34.5Very low132 Ų132148.7 Ų148.762%0.61776%0.758SS**  cis-159.4161.79.1-134.3154.955.200113.7
137H31.7Very low33.7Very low134 Ų134152.9 Ų152.962%0.6276%0.758SS**  trans71158.7145-73.4-28.7000122.3
138F28.3Very low32.8Very low154 Ų154156.6 Ų156.668%0.67576%0.758SS**  cis-135.9168.9-5.2-132.3-72.9000113.2
139R29.6Very low32.6Very low192 Ų192155.4 Ų155.473%0.72575%0.753SS**  trans-83160.6-172-44.8164.3178.3159.8-3.9116.4
140R32.8Very low31.2Very low246 Ų246155.1 Ų155.193%0.92875%0.754SS**  175130.9128.6-94.7158.3-178.7-1700.8108.3
141S29.6Very low30.7Very low100 Ų100154.1 Ų154.170%0.69976%0.757SS**  cis81.8104.69.6-153.30000118.2
142L30.9Very low30.5Very low170 Ų170154 Ų15489%0.8976%0.756SS**  trans175.5118152.7-92.5168.3000105.1
143R32.3Very low29.4Very low209 Ų209157.9 Ų157.979%0.78976%0.763SS**  cis84.791.243.1-75.6-159.2179.5-162.42.7117
144H33.8Very low29.5Very low174 Ų174160.1 Ų160.181%0.80677%0.767SS**  trans60.5176.6148.5-54.7-62.6000117.3
145I37.8Very low30.3Very low132 Ų132161.7 Ų161.768%0.67778%0.775SS**  cis-143.6155.715.5-41.2160.3000106.5
146F33.8Very low30.2Very low189 Ų189157.5 Ų157.583%0.82977%0.774SS**  cis-134.1174.225.1-58.9-105.4000110.5
147R30.5Very low29.9Very low209 Ų209154.7 Ų154.779%0.78977%0.774SS**  cis97.5119.65.4-148.3-172.7-166.4-169.36118.8
148R29.1Very low29.7Very low189 Ų189156.2 Ų156.271%0.71378%0.781SS**  trans93.5145.9168-63.8-165.4-174.6-90.58.6116.3
149R24.9Very low29.8Very low215 Ų215155 Ų15581%0.81179%0.787SS**  cis-147.5172.4-7.7-143.7-177.8174.7167.2-5.4111.2
150S26.3Very low29.7Very low106 Ų106150.5 Ų150.574%0.74179%0.79SS**  trans-98.8146.4-178.153.20000115
151A26.1Very low29.4Very low107 Ų107143.5 Ų143.588%0.88479%0.785SS**  trans-176.8159.6147.500000108.5
152G24.6Very low29.4Very low67 Ų67143.3 Ų143.369%0.69179%0.789SS**  cis146.7100.2-7.400000113.3
153E23.3Very low29.2Very low202 Ų202144 Ų14494%0.94479%0.793SS**  trans68.7177.7161.1-70.1169.8105.500120.2
154L28.2Very low29Very low167 Ų167137.7 Ų137.787%0.87479%0.793SS**  trans-118.6-158.6-157.4-53.8162.1000109.8
155P42.7Very low28.8Very low115 Ų115136.1 Ų136.175%0.74780%0.796SS**  cis-133.2-166.8-17.532.4-9.5000114.3
156A25.8Very low28.9Very low98 Ų98136 Ų13681%0.8180%0.803SS**  trans74.1154.7157.100000119.1
157A25.9Very low28.6Very low74 Ų74130.8 Ų130.861%0.61280%0.803SS**  cis-172.9-174.1-26.100000109.2
158H28.3Very low28.6Very low166 Ų166130.2 Ų130.277%0.76981%0.81SS**  trans85.487.2161.9-55.7-70.4000121.1
159T28.6Very low28.6Very low129 Ų129125.3 Ų125.379%0.79181%0.81SS**  56.4141.3117.253.70000124.2
160A28.4Very low28.8Very low97 Ų97119.8 Ų119.880%0.80281%0.81SS**  trans71131.2162.600000116.7
161A26.8Very low28.9Very low99 Ų99122.2 Ų122.282%0.81881%0.809SS**  cis102.8151.722.800000114.5
162A28.8Very low29Very low96 Ų96122.5 Ų122.579%0.79380%0.8SS**  trans78.192179.500000119
163L27Very low30Very low183 Ų183125.1 Ų125.196%0.95881%0.805SS**  35.1122.4114.4-165.475.8000119.8
164G29Very low30.1Very low77 Ų77120.3 Ų120.379%0.79480%0.8SS**  trans16590.4160.800000118.4
165T29Very low30.3Very low142 Ų142124 Ų12487%0.87180%0.803SS**  trans-98.1169.8152.317.70000109.2
166P40.1Very low30.2Very low128 Ų128124.3 Ų124.383%0.83180%0.804SS**  cis-134.6-171.817.242.6-24.3000115.8
167G28.3Very low30.3Very low80 Ų80123.2 Ų123.283%0.82580%0.802SS**  trans174.6132.5166.700000116.2
168E28.6Very low30.8Very low198 Ų198127 Ų12793%0.92581%0.812SS**  trans-80.6178.6173.2-73167.480.800113
169A29.9Very low31.1Very low86 Ų86123 Ų12371%0.71181%0.807SS**  cis-176.2160.6-36.700000109.1
170A29.3Very low31.6Very low98 Ų98125.6 Ų125.681%0.8181%0.807SS**  trans63.3160.9163.100000118.7
171E28.2Very low32Very low157 Ų157130.5 Ų130.573%0.73481%0.81SS**  cis-158.9136.7-35.8-122.4-145.382.800112.1
172T28.1Very low32.4Very low114 Ų114134 Ų13470%0.69982%0.815SS**  trans48.8-169147.162.90000118.7
173P46.1Very low33Very low121 Ų121136 Ų13679%0.78681%0.811SS**  cis-132.2162.7-13.841.1-25.2000117.4
174A25.1Very low33.3Very low102 Ų102133.6 Ų133.684%0.84381%0.806SS**  trans-163.7143.2143.700000113
175R31.6Very low33.4Very low245 Ų245139.7 Ų139.793%0.92581%0.806SS**  trans-147.2-176.3175.3-104.4-179.2172.2177.1-0.4106.9
176P41.6Very low33.9Very low121 Ų121137.8 Ų137.879%0.78680%0.798SS**  cis-120.3-179.81.542.5-26.2000112.3
177G27.8Very low33.7Very low74 Ų74137.1 Ų137.176%0.76379%0.787SS**  109.615171.600000110.4
178L37.3Very low34Very low155 Ų155137 Ų13781%0.81278%0.778SS**  cis-162.1156.2-0.6-159.1151.7000109.3
179A34.1Very low34.3Very low81 Ų81138.6 Ų138.667%0.66978%0.776SS**  trans95.5142.1157.900000119.7
180K37.6Very low34.3Very low183 Ų183140.1 Ų140.180%0.79677%0.768SS**  cis-155.8122.8-17.7-115.3165.8-169.51730111
181K38.4Very low34.8Very low200 Ų200140.6 Ų140.687%0.8776%0.763SS**  trans17.5119.2149.8-57.7-179176.8-1730119.5
182L33.9Very low35.8Very low173 Ų173137.4 Ų137.491%0.90676%0.755SS**  -137.8112.4128-85.4-178.1000110.3
183L42.6Very low37.1Very low139 Ų139133.9 Ų133.973%0.72874%0.735SS**  trans-134.4148.2159.2-67.3176000104.9
184P32.5Very low38.1Very low131 Ų131134 Ų13485%0.85173%0.725SS**  -151.597.795.835.7-15.5000114.3
185W31.6Very low40.2Very low206 Ų206131.2 Ų131.278%0.7870%0.701SS**  trans-153.566.1152.7172-95.6000107.4L187W185-L187 HydrophobicContact CD2-CB 4.17Å; W185-L187 HydrophobicContact CD2-CG 4.28Å; W185-L187 HydrophobicContact CE3-CB 4.45Å; W185-L187 HydrophobicContact CE3-CG 4.08Å; W185-L187 HydrophobicContact CH2-CB 4.33Å; W185-L187 HydrophobicContact CH2-CD1 3.33Å; W185-L187 HydrophobicContact CH2-CG 3.63Å; W185-L187 HydrophobicContact CZ2-CB 4Å; W185-L187 HydrophobicContact CZ2-CD1 3.51Å; W185-L187 HydrophobicContact CZ2-CG 3.81Å; W185-L187 HydrophobicContact CZ3-CD1 3.95Å; W185-L187 HydrophobicContact CZ3-CG 3.75Å; W185-L187 PolarHBondContact O-N 2.96Å
186S39Very low42.6Very low102 Ų102122.1 Ų122.171%0.71367%0.671SS**  trans-84.571.1152.2-61.30000106.6A188S186-A188 PolarHBondContact O-N 2.75Å
187L35.6Very low44.9Very low113 Ų113118 Ų11859%0.59264%0.641SS**  trans-61123.9154.7-113.2-157.5000105.2W185 R189W185-L187 HydrophobicContact CD2-CB 4.17Å; W185-L187 HydrophobicContact CD2-CG 4.28Å; W185-L187 HydrophobicContact CE3-CB 4.45Å; W185-L187 HydrophobicContact CE3-CG 4.08Å; W185-L187 HydrophobicContact CH2-CB 4.33Å; W185-L187 HydrophobicContact CH2-CD1 3.33Å; W185-L187 HydrophobicContact CH2-CG 3.63Å; W185-L187 HydrophobicContact CZ2-CB 4Å; W185-L187 HydrophobicContact CZ2-CD1 3.51Å; W185-L187 HydrophobicContact CZ2-CG 3.81Å; W185-L187 HydrophobicContact CZ3-CD1 3.95Å; W185-L187 HydrophobicContact CZ3-CG 3.75Å; W185-L187 PolarHBondContact O-N 2.96Å; L187-R189 PolarHBondContact O-N 2.66Å; L187-R189 VanDerWaalsContact O-N 3.12Å
188A35.1Very low48.1Very low77 Ų77118 Ų11864%0.63662%0.621SS**  trans-49.9124.2154.800000106.2S186 E190S186-A188 PolarHBondContact O-N 2.75Å; A188-E190 PolarHBondContact O-N 2.76Å
189R35Very low50.7Low233 Ų233112.1 Ų112.188%0.87960%0.595SS**  trans-64.398.9153.2174.8173.7-68.3170.81103.7L187L187-R189 PolarHBondContact O-N 2.66Å; L187-R189 VanDerWaalsContact O-N 3.12Å
190E30.7Very low53.6Low118 Ų118111.2 Ų111.255%0.55159%0.587SS**  trans-41.4131.2166.9-176.2-177.6-153.400107.7A188 P192A188-E190 PolarHBondContact O-N 2.76Å; E190-P192 WeakPolarHBondContact O-CD 3.33Å
191P39.2Very low56.3Low108 Ų108102.9 Ų102.970%0.70155%0.551SS**PPolyproline II helixtrans-54.5117.5175.523.7-32.5000106.7P193P191-P193 VanDerWaalsContact O-N 3.14Å
192P48.8Very low58.9Low89 Ų8997.9 Ų97.958%0.57853%0.527SS*.PPolyproline II helixtrans-58125.2-165.621.4-32.8000108.5E190 E194E190-P192 WeakPolarHBondContact O-CD 3.33Å; P192-E194 PolarHBondContact O-N 2.93Å
193P55.9Low61.8Low41 Ų4189.7 Ų89.727%0.26648%0.484SS..PPolyproline II helixtrans-50.8132.5-160.87.7-23.4000111.1P191 A195 R225 R226P191-P193 VanDerWaalsContact O-N 3.14Å; P193-A195 PolarHBondContact O-N 3.39Å; P193-R225 WeakPolarHBondContact O-CD 3.33Å; P193-R225 PolarHBondContact O-NH1 3.44Å; P193-R226 WeakPolarHBondContact CB-O 2.93Å
194E65.9Low64.2Low123 Ų12383.2 Ų83.258%0.57545%0.45SS*.  trans-45.1109.2-158.5-69.7-174.3141.400110.9P192 L196 R225 R226P192-E194 PolarHBondContact O-N 2.93Å; E194-L196 PolarHBondContact O-N 2.71Å; E194-R225 WeakPolarHBondContact O-CA 3.48Å; E194-R226 PolarHBondContact O-N 3.2Å; E194-R226 IonicContact OE2-CZ 3.8Å; E194-R226 IonicContact OE2-NH1 2.95Å; E194-R226 PolarHBondContact OE2-NH1 3.19Å
195A69.3Low66.9Low43 Ų4379.6 Ų79.636%0.35542%0.424SS..EExtended strand (participates in β ladder)trans-69.2101.4170.800000107P193 K197 E198 L224P193-A195 PolarHBondContact O-N 3.39Å; A195-K197 PolarHBondContact O-N 2.75Å; A195-E198 HydrophobicContact CB-CB 4.2Å; A195-L224 CarbonylContact C-O 3.45Å; A195-L224 WeakPolarHBondContact CA-O 3.4Å
196L82.6Confident69.4Low54 Ų5471.5 Ų71.528%0.28340%0.401SS..EExtended strand (participates in β ladder)trans-51.8-39.3166.1-66.4173.1000108.7E194 L224 R226 R238E194-L196 PolarHBondContact O-N 2.71Å; L196-L224 HydrophobicContact CB-CD2 4.07Å; L196-L224 HydrophobicContact CB-CG 4.2Å; L196-L224 HydrophobicContact CD1-CD2 4.11Å; L196-L224 HydrophobicContact CD1-CG 4.15Å; L196-L224 PolarHBondContact N-O 3.46Å; L196-R226 HydrophobicContact CD1-CG 4.22Å; L196-R226 HydrophobicContact CD2-CG 4.31Å; L196-R226 HydrophobicContact CG-CG 4.23Å; L196-R238 HydrophobicContact CD1-CG 4.25Å
197K91.1Very high71.2Confident36 Ų3670.8 Ų70.816%0.15739%0.389CS..EExtended strand (participates in β ladder)trans-160143.8174.6-172.6162.5179.2172.40113.5A195 A223 L224 S300 W301 E304A195-K197 PolarHBondContact O-N 2.75Å; K197-A223 CarbonylContact O-C 3.53Å; K197-A223 WeakPolarHBondContact O-CA 3.34Å; K197-L224 PolarHBondContact N-O 2.76Å; K197-L224 PolarHBondContact O-N 3.4Å; K197-S300 PolarHBondContact NZ-O 3.47Å; K197-S300 PolarHBondContact NZ-OG 2.86Å; K197-W301 HydrophobicContact CB-CH2 4.26Å; K197-W301 HydrophobicContact CB-CZ3 4.5Å; K197-W301 HydrophobicContact CD-CD2 4.12Å; K197-W301 HydrophobicContact CD-CE3 4.17Å; K197-W301 HydrophobicContact CD-CH2 4.22Å; K197-W301 HydrophobicContact CD-CZ2 4.17Å; K197-W301 HydrophobicContact CD-CZ3 4.22Å; K197-W301 HydrophobicContact CG-CH2 3.75Å; K197-W301 HydrophobicContact CG-CZ2 3.74Å; K197-W301 HydrophobicContact CG-CZ3 4.18Å; K197-E304 VanDerWaalsContact CB-OE1 3.23Å; K197-E304 WeakPolarHBondContact CB-OE1 3.36Å; K197-E304 WeakPolarHBondContact CD-OE1 3.43Å; K197-E304 WeakPolarHBondContact CD-OE2 3.24Å; K197-E304 WeakPolarHBondContact CE-OE2 3.35Å; K197-E304 IonicContact NZ-OE2 2.71Å; K197-E304 PolarHBondContact NZ-OE2 2.89Å
198E93.4Very high72.6Confident74 Ų7472.9 Ų72.935%0.34640%0.395SS..EExtended strand (participates in β ladder)trans-148.2125.9177.8-174.7153.4-159.800110A195 R221 L222 A223 R225A195-E198 HydrophobicContact CB-CB 4.2Å; E198-R221 HydrophobicContact CG-CG 3.96Å; E198-R221 WeakPolarHBondContact OE1-CD 3.46Å; E198-R221 IonicContact OE1-CZ 3.48Å; E198-R221 IonicContact OE1-NE 2.67Å; E198-R221 PolarHBondContact OE1-NE 2.87Å; E198-R221 IonicContact OE1-NH2 3.4Å; E198-R221 PolarHBondContact OE1-NH2 2.69Å; E198-L222 CarbonylContact C-O 3.51Å; E198-L222 WeakPolarHBondContact CA-O 3.33Å; E198-A223 HydrophobicContact CB-CB 4.1Å; E198-A223 HydrophobicContact CG-CB 3.71Å; E198-R225 VanDerWaalsContact CD-NH2 3.29Å; E198-R225 IonicContact OE1-NH2 3.12Å; E198-R225 PolarHBondContact OE1-NH2 3.45Å; E198-R225 VanDerWaalsContact OE1-NH2 3.16Å; E198-R225 IonicContact OE2-CZ 2.71Å; E198-R225 IonicContact OE2-NH1 3.28Å; E198-R225 IonicContact OE2-NH2 3.16Å; E198-R225 PolarHBondContact OE2-NH2 3.11Å
199A93.2Very high73.6Confident31 Ų3172.5 Ų72.526%0.25639%0.392SS..EExtended strand (participates in β ladder)trans-145.4151.8178.300000112.7L201 R221 L222 W301A199-L201 HydrophobicContact CB-CD2 4.13Å; A199-L201 HydrophobicContact CB-CG 4.4Å; A199-L201 PolarHBondContact O-N 3.05Å; A199-R221 CarbonylContact O-C 3.6Å; A199-R221 WeakPolarHBondContact O-CA 3.22Å; A199-L222 PolarHBondContact N-O 3.11Å; A199-L222 PolarHBondContact O-N 3.12Å; A199-W301 HydrophobicContact CB-CZ2 3.73Å
200A94.4Very high74.6Confident62 Ų6262.8 Ų62.851%0.51236%0.36SS..EExtended strand (participates in β ladder)trans-88.4103.9173.700000110.4G220A200-G220 CarbonylContact C-O 3.41Å; A200-G220 VanDerWaalsContact CA-O 3.29Å; A200-G220 WeakPolarHBondContact CA-O 3.4Å
201L94.9Very high75.8Confident7 Ų763.6 Ų63.64%0.03737%0.365CS..EExtended strand (participates in β ladder)trans-107.9162.1-174.3-59.8-174.8000112.1A199 R219 G220 L222 F278 F290 V292 W301A199-L201 HydrophobicContact CB-CD2 4.13Å; A199-L201 HydrophobicContact CB-CG 4.4Å; A199-L201 PolarHBondContact O-N 3.05Å; L201-R219 WeakPolarHBondContact O-CA 3.17Å; L201-G220 PolarHBondContact N-O 3.26Å; L201-G220 PolarHBondContact O-N 3.26Å; L201-L222 HydrophobicContact CD1-CB 4.13Å; L201-L222 HydrophobicContact CD1-CD2 4Å; L201-F278 HydrophobicContact CD1-CE1 4.43Å; L201-F278 HydrophobicContact CD1-CZ 4.48Å; L201-F290 HydrophobicContact CB-CD1 4.14Å; L201-F290 HydrophobicContact CD1-CB 4.49Å; L201-F290 HydrophobicContact CD1-CD1 3.89Å; L201-F290 HydrophobicContact CD1-CG 4.47Å; L201-V292 HydrophobicContact CD1-CG1 4.12Å; L201-V292 HydrophobicContact CD2-CB 4.45Å; L201-V292 HydrophobicContact CD2-CG1 3.94Å; L201-W301 HydrophobicContact CD1-CZ2 4.37Å
202R93.5Very high76.4Confident95 Ų9566 Ų6636%0.35837%0.372SS..EExtended strand (participates in β ladder)trans-86.5146.9160.8-82.5177.562.2-165.60.7108.7W217 Q218 R219 E291R202-W217 HydrophobicContact CB-CE3 4.08Å; R202-Q218 WeakPolarHBondContact CA-O 3.41Å; R202-R219 HydrophobicContact CG-CG 4.15Å; R202-E291 HydrophobicContact CB-CB 3.81Å; R202-E291 HydrophobicContact CB-CG 3.99Å; R202-E291 VanDerWaalsContact CD-OE1 3.3Å; R202-E291 WeakPolarHBondContact CD-OE1 3.46Å; R202-E291 VanDerWaalsContact CZ-CD 3.43Å; R202-E291 IonicContact CZ-OE1 2.79Å; R202-E291 VanDerWaalsContact CZ-OE1 3.26Å; R202-E291 IonicContact CZ-OE2 3.79Å; R202-E291 PolarHBondContact N-O 3.14Å; R202-E291 IonicContact NE-OE1 3.37Å; R202-E291 PolarHBondContact NE-OE1 2.88Å; R202-E291 IonicContact NE-OE2 3.84Å; R202-E291 PolarHBondContact NE-OE2 3.48Å; R202-E291 IonicContact NH1-OE1 3.69Å; R202-E291 PolarHBondContact NH1-OE1 3.45Å; R202-E291 IonicContact NH1-OE2 2.79Å; R202-E291 PolarHBondContact NH1-OE2 3.03Å; R202-E291 IonicContact NH2-OE2 3.93Å; R202-E291 PolarHBondContact NH2-OE2 2.73Å; R202-E291 PolarHBondContact O-N 3.28Å
203Y94Very high76.9Confident1 Ų166.9 Ų66.90%0.00438%0.381CS..EExtended strand (participates in β ladder)trans-151.5157.5175.382.5-86.7000112.4L205 W217 Q218 L242 D244 K252 I288 I289 F290Y203-L205 HydrophobicContact CD2-CD2 4.47Å; Y203-L205 HydrophobicContact CE2-CD2 4.06Å; Y203-L205 HydrophobicContact CE2-CG 4.41Å; Y203-W217 VanDerWaalsContact C-CE3 3.47Å; Y203-W217 CarbonylContact O-C 3.43Å; Y203-W217 WeakPolarHBondContact O-CA 3.36Å; Y203-Q218 HydrophobicContact CD1-CB 4.11Å; Y203-Q218 HydrophobicContact CE1-CB 3.69Å; Y203-Q218 HydrophobicContact CE2-CB 4.44Å; Y203-Q218 PolarHBondContact N-O 2.68Å; Y203-Q218 PolarHBondContact O-N 3.22Å; Y203-Q218 PolarHBondContact OH-OE1 2.98Å; Y203-L242 HydrophobicContact CD1-CD1 4.25Å; Y203-L242 HydrophobicContact CD1-CD2 4.4Å; Y203-L242 HydrophobicContact CD2-CD2 4.12Å; Y203-L242 HydrophobicContact CE1-CD1 4.25Å; Y203-L242 HydrophobicContact CE1-CD2 4.13Å; Y203-L242 HydrophobicContact CE1-CG 4.44Å; Y203-L242 HydrophobicContact CE2-CD2 3.83Å; Y203-L242 HydrophobicContact CG-CD2 4.37Å; Y203-D244 HydrophobicContact CE1-CB 4.21Å; Y203-D244 PolarHBondContact OH-OD2 2.76Å; Y203-K252 WeakPolarHBondContact OH-CD 3.46Å; Y203-K252 WeakPolarHBondContact OH-CE 3.27Å; Y203-K252 PolarHBondContact OH-NZ 2.8Å; Y203-I288 HydrophobicContact CD2-CG2 3.7Å; Y203-I288 HydrophobicContact CE2-CG2 4.47Å; Y203-I288 HydrophobicContact CG-CG2 4.37Å; Y203-I289 CarbonylContact C-O 3.48Å; Y203-I289 WeakPolarHBondContact CA-O 3.32Å; Y203-I289 WeakPolarHBondContact CB-O 3.21Å; Y203-F290 HydrophobicContact CG-CE1 4.32Å
204S91.8Very high77.4Confident3 Ų366.9 Ų66.92%0.02139%0.388CS..EExtended strand (participates in β ladder)trans-131.3158.8168.855.70000109.7I289S204-I289 PolarHBondContact N-O 3.38Å; S204-I289 PolarHBondContact O-N 2.95Å
205L91.1Very high77.9Confident56 Ų5663.2 Ų63.229%0.29338%0.379SS..EExtended strand (participates in β ladder)trans-96.5130.2169.8-58.3178000107.4Y203 D207 S210 I288Y203-L205 HydrophobicContact CD2-CD2 4.47Å; Y203-L205 HydrophobicContact CE2-CD2 4.06Å; Y203-L205 HydrophobicContact CE2-CG 4.41Å; L205-D207 VanDerWaalsContact C-N 3.34Å; L205-D207 PolarHBondContact O-N 3.38Å; L205-S210 PolarHBondContact O-OG 3.47Å; L205-I288 HydrophobicContact CD2-CD1 4.01Å; L205-I288 HydrophobicContact CD2-CG1 3.81Å; L205-I288 HydrophobicContact CD2-CG2 4.36Å
206A83Confident78.6Confident36 Ų3670.7 Ų70.730%0.29840%0.398SS..EExtended strand (participates in β ladder)trans-83.585169.800000108.3D287 I289A206-D287 HydrophobicContact CB-CB 4.08Å; A206-D287 PolarHBondContact N-O 2.94Å; A206-I289 HydrophobicContact CB-CD1 4.45Å
207D77.6Confident78.9Confident86 Ų8671.5 Ų71.546%0.4640%0.397SS..  trans-103.2146.1172.1-177.713.5000108.6L205 A209 S210L205-D207 VanDerWaalsContact C-N 3.34Å; L205-D207 PolarHBondContact O-N 3.38Å; D207-A209 PolarHBondContact O-N 3.37Å; D207-S210 PolarHBondContact N-OG 2.86Å; D207-S210 WeakPolarHBondContact O-CA 3.29Å; D207-S210 VanDerWaalsContact O-CB 3.3Å; D207-S210 WeakPolarHBondContact O-CB 3.34Å; D207-S210 PolarHBondContact O-N 3.36Å; D207-S210 PolarHBondContact O-OG 2.85Å
208E63.7Low79Confident158 Ų15872 Ų7274%0.73840%0.4SS*.G310 helixtrans-56.6-41.6-178-66.4-68.9108.400110.6S210 M211E208-S210 PolarHBondContact O-N 2.87Å; E208-S210 VanDerWaalsContact O-N 3.1Å; E208-M211 WeakPolarHBondContact O-CB 3.4Å; E208-M211 PolarHBondContact O-N 3.46Å
209A56.3Low79Confident69 Ų6976.4 Ų76.457%0.5741%0.413SS*.G310 helixtrans-66.8-8.4176.400000114.6D207D207-A209 PolarHBondContact O-N 3.37Å
210S56.9Low79Confident28 Ų2875 Ų7520%0.19640%0.402CS..G310 helixtrans-88.7-14.5175.875.90000113.8L205 D207 E208 G214L205-S210 PolarHBondContact O-OG 3.47Å; D207-S210 PolarHBondContact N-OG 2.86Å; D207-S210 WeakPolarHBondContact O-CA 3.29Å; D207-S210 VanDerWaalsContact O-CB 3.3Å; D207-S210 WeakPolarHBondContact O-CB 3.34Å; D207-S210 PolarHBondContact O-N 3.36Å; D207-S210 PolarHBondContact O-OG 2.85Å; E208-S210 PolarHBondContact O-N 2.87Å; E208-S210 VanDerWaalsContact O-N 3.1Å; S210-G214 CarbonylContact O-C 3.6Å; S210-G214 PolarHBondContact O-N 2.94Å
211M54.3Low79Confident136 Ų13674.3 Ų74.367%0.6739%0.386SS*.THydrogen-bonded Turntrans-62.3-48.6178.1-66.7-66.5177.300111.7E208 S213E208-M211 WeakPolarHBondContact O-CB 3.4Å; E208-M211 PolarHBondContact O-N 3.46Å; M211-S213 VanDerWaalsContact C-N 3.33Å; M211-S213 PolarHBondContact O-N 3.43Å
212D53Low79.1Confident158 Ų15874.1 Ų74.185%0.84539%0.385SS*.THydrogen-bonded Turntrans-71.3-25.3-177.6-64-34.9000113.9
213S60Low79.1Confident108 Ų10869.6 Ų69.676%0.75537%0.368SS*.THydrogen-bonded Turntrans-102.5-7.7-174.8-64.60000114.2M211M211-S213 VanDerWaalsContact C-N 3.33Å; M211-S213 PolarHBondContact O-N 3.43Å
214G65.5Low79Confident41 Ų4169.5 Ų69.542%0.42337%0.368SS..  trans76.6159.4-172.800000114.1S210 R216S210-G214 CarbonylContact O-C 3.6Å; S210-G214 PolarHBondContact O-N 2.94Å; G214-R216 PolarHBondContact O-N 2.99Å
215A75.6Confident78.9Confident46 Ų4670.6 Ų70.638%0.3837%0.371SS..  trans-60.6108.3-172.600000113.3W217A215-W217 HydrophobicContact CB-CZ2 4.24Å; A215-W217 PolarHBondContact O-N 3.3Å; A215-W217 PolarHBondContact O-NE1 3.28Å
216R85.1Confident78.5Confident200 Ų20072.9 Ų72.976%0.75538%0.376SS*.  trans-78.285.2179.1-171.5-175.9174.2-175.6-0.8112.3G214 Q218G214-R216 PolarHBondContact O-N 2.99Å; R216-Q218 PolarHBondContact O-N 3.33Å; R216-Q218 PolarHBondContact O-NE2 2.94Å
217W89.3Confident78.1Confident70 Ų7072.5 Ų72.527%0.26537%0.373SS..  trans-60.8127.7177.9-6499.7000113.8R202 Y203 A215 M271 I289 E291R202-W217 HydrophobicContact CB-CE3 4.08Å; Y203-W217 VanDerWaalsContact C-CE3 3.47Å; Y203-W217 CarbonylContact O-C 3.43Å; Y203-W217 WeakPolarHBondContact O-CA 3.36Å; A215-W217 HydrophobicContact CB-CZ2 4.24Å; A215-W217 PolarHBondContact O-N 3.3Å; A215-W217 PolarHBondContact O-NE1 3.28Å; W217-M271 HydrophobicContact CH2-CE 4.27Å; W217-M271 HydrophobicContact CH2-SD 4.06Å; W217-M271 HydrophobicContact CZ2-CE 3.65Å; W217-M271 HydrophobicContact CZ2-SD 3.69Å; W217-I289 HydrophobicContact CH2-CG2 3.93Å; W217-E291 HydrophobicContact CE3-CB 4.39Å; W217-E291 HydrophobicContact CH2-CB 4.08Å; W217-E291 HydrophobicContact CZ3-CB 3.71Å
218Q92.7Very high77.2Confident46 Ų4672.9 Ų72.922%0.21538%0.38CS..EExtended strand (participates in β ladder)trans-113.9166.4170.4-74.1149.678.300108.8R202 Y203 R216R202-Q218 WeakPolarHBondContact CA-O 3.41Å; Y203-Q218 HydrophobicContact CD1-CB 4.11Å; Y203-Q218 HydrophobicContact CE1-CB 3.69Å; Y203-Q218 HydrophobicContact CE2-CB 4.44Å; Y203-Q218 PolarHBondContact N-O 2.68Å; Y203-Q218 PolarHBondContact O-N 3.22Å; Y203-Q218 PolarHBondContact OH-OE1 2.98Å; R216-Q218 PolarHBondContact O-N 3.33Å; R216-Q218 PolarHBondContact O-NE2 2.94Å
219R92.6Very high77.1Confident167 Ų16769 Ų6963%0.6338%0.382SS*.EExtended strand (participates in β ladder)trans-113120171.8-70.8-176.470-174.63.9108.4L201 R202 P246L201-R219 WeakPolarHBondContact O-CA 3.17Å; R202-R219 HydrophobicContact CG-CG 4.15Å; R219-P246 HydrophobicContact CB-CG 3.99Å; R219-P246 VanDerWaalsContact O-CD 3.23Å; R219-P246 WeakPolarHBondContact O-CD 3Å; R219-P246 VanDerWaalsContact O-CG 3.27Å; R219-P246 WeakPolarHBondContact O-CG 3.49Å
220G93.8Very high77Confident1 Ų167.2 Ų67.21%0.0137%0.366CS..EExtended strand (participates in β ladder)trans-113.6172.6176.600000111.9A200 L201 F243A200-G220 CarbonylContact C-O 3.41Å; A200-G220 VanDerWaalsContact CA-O 3.29Å; A200-G220 WeakPolarHBondContact CA-O 3.4Å; L201-G220 PolarHBondContact N-O 3.26Å; L201-G220 PolarHBondContact O-N 3.26Å; G220-F243 CarbonylContact C-O 3.59Å; G220-F243 WeakPolarHBondContact CA-O 3.22Å
221R95.1Very high76.8Confident49 Ų4974.1 Ų74.119%0.18540%0.401CS..EExtended strand (participates in β ladder)trans-114.7112.7159.9-168.6179.179.2-113.20.3106.6E198 A199 F243 P246 S248E198-R221 HydrophobicContact CG-CG 3.96Å; E198-R221 WeakPolarHBondContact OE1-CD 3.46Å; E198-R221 IonicContact OE1-CZ 3.48Å; E198-R221 IonicContact OE1-NE 2.67Å; E198-R221 PolarHBondContact OE1-NE 2.87Å; E198-R221 IonicContact OE1-NH2 3.4Å; E198-R221 PolarHBondContact OE1-NH2 2.69Å; A199-R221 CarbonylContact O-C 3.6Å; A199-R221 WeakPolarHBondContact O-CA 3.22Å; R221-F243 HydrophobicContact CB-CB 4.2Å; R221-F243 PolarHBondContact N-O 3.27Å; R221-F243 VanDerWaalsContact NH2-CE2 3.31Å; R221-F243 VanDerWaalsContact NH2-CG 3.28Å; R221-F243 PolarHBondContact O-N 3.39Å; R221-P246 HydrophobicContact CB-CB 4.08Å; R221-P246 WeakPolarHBondContact CD-O 3.18Å; R221-P246 PolarHBondContact NH1-O 3.11Å; R221-S248 PolarHBondContact NH1-O 3.31Å; R221-S248 VanDerWaalsContact NH1-O 3.13Å
222L95.4Very high76.9Confident2 Ų269.5 Ų69.51%0.0139%0.388CS..EExtended strand (participates in β ladder)trans-91.1127.6175.2-172.465000107.5E198 A199 L201 L240 E241 L242 F278 F290 W301E198-L222 CarbonylContact C-O 3.51Å; E198-L222 WeakPolarHBondContact CA-O 3.33Å; A199-L222 PolarHBondContact N-O 3.11Å; A199-L222 PolarHBondContact O-N 3.12Å; L201-L222 HydrophobicContact CD1-CB 4.13Å; L201-L222 HydrophobicContact CD1-CD2 4Å; L222-L240 HydrophobicContact CD1-CD1 3.76Å; L222-L240 HydrophobicContact CD1-CD2 4.47Å; L222-L240 HydrophobicContact CD1-CG 4.04Å; L222-L240 HydrophobicContact CG-CD1 4.13Å; L222-E241 CarbonylContact C-O 3.59Å; L222-E241 WeakPolarHBondContact CA-O 3.45Å; L222-L242 HydrophobicContact CD1-CB 4.4Å; L222-L242 HydrophobicContact CD1-CD1 4.41Å; L222-F278 HydrophobicContact CD2-CZ 4.02Å; L222-F290 HydrophobicContact CB-CE1 4.22Å; L222-F290 HydrophobicContact CD1-CE1 4.11Å; L222-F290 HydrophobicContact CD1-CZ 3.78Å; L222-F290 HydrophobicContact CD2-CD1 4.25Å; L222-F290 HydrophobicContact CD2-CE1 3.98Å; L222-F290 HydrophobicContact CD2-CE2 4.39Å; L222-F290 HydrophobicContact CD2-CZ 4.04Å; L222-F290 HydrophobicContact CG-CE1 4.34Å; L222-F290 HydrophobicContact CG-CZ 4.41Å; L222-W301 HydrophobicContact CB-CH2 4.02Å; L222-W301 HydrophobicContact CB-CZ2 4.33Å; L222-W301 HydrophobicContact CD2-CD2 4.39Å; L222-W301 HydrophobicContact CD2-CE3 3.92Å; L222-W301 HydrophobicContact CD2-CH2 3.89Å; L222-W301 HydrophobicContact CD2-CZ2 4.35Å; L222-W301 HydrophobicContact CD2-CZ3 3.66Å; L222-W301 HydrophobicContact CG-CH2 3.82Å; L222-W301 HydrophobicContact CG-CZ2 4.49Å; L222-W301 HydrophobicContact CG-CZ3 3.9Å; L222-W301 WeakPolarHBondContact O-CH2 3.35Å
223A93.6Very high76.8Confident0 Ų068.6 Ų68.60%039%0.391CS..EExtended strand (participates in β ladder)trans-132.3133.718000000110.3K197 E198 E241 F243K197-A223 CarbonylContact O-C 3.53Å; K197-A223 WeakPolarHBondContact O-CA 3.34Å; E198-A223 HydrophobicContact CB-CB 4.1Å; E198-A223 HydrophobicContact CG-CB 3.71Å; A223-E241 HydrophobicContact CB-CB 4.39Å; A223-E241 PolarHBondContact N-O 2.69Å; A223-E241 PolarHBondContact O-N 3.17Å; A223-F243 HydrophobicContact CB-CE2 4.28Å
224L92.3Very high76.6Confident0 Ų071.4 Ų71.40%040%0.397CS..EExtended strand (participates in β ladder)trans-111.5119.9174.3174.267.7000107.9A195 L196 K197 R238 L240 E304 C308A195-L224 CarbonylContact C-O 3.45Å; A195-L224 WeakPolarHBondContact CA-O 3.4Å; L196-L224 HydrophobicContact CB-CD2 4.07Å; L196-L224 HydrophobicContact CB-CG 4.2Å; L196-L224 HydrophobicContact CD1-CD2 4.11Å; L196-L224 HydrophobicContact CD1-CG 4.15Å; L196-L224 PolarHBondContact N-O 3.46Å; K197-L224 PolarHBondContact N-O 2.76Å; K197-L224 PolarHBondContact O-N 3.4Å; L224-R238 HydrophobicContact CD1-CB 4.17Å; L224-L240 HydrophobicContact CB-CD1 4.32Å; L224-L240 HydrophobicContact CD1-CD1 4.38Å; L224-E304 HydrophobicContact CD2-CB 4.04Å; L224-E304 HydrophobicContact CD2-CG 4.46Å; L224-C308 VanDerWaalsContact CD2-SG 3.5Å
225R89.3Confident76.2Confident25 Ų2571 Ų719%0.09439%0.393CS..EExtended strand (participates in β ladder)trans-120.9151.8-176.9-58.1-170.6-174.8-68.8-18.8111.7P193 E194 E198 R238 V239 E241P193-R225 WeakPolarHBondContact O-CD 3.33Å; P193-R225 PolarHBondContact O-NH1 3.44Å; E194-R225 WeakPolarHBondContact O-CA 3.48Å; E198-R225 VanDerWaalsContact CD-NH2 3.29Å; E198-R225 IonicContact OE1-NH2 3.12Å; E198-R225 PolarHBondContact OE1-NH2 3.45Å; E198-R225 VanDerWaalsContact OE1-NH2 3.16Å; E198-R225 IonicContact OE2-CZ 2.71Å; E198-R225 IonicContact OE2-NH1 3.28Å; E198-R225 IonicContact OE2-NH2 3.16Å; E198-R225 PolarHBondContact OE2-NH2 3.11Å; R225-R238 CarbonylContact O-C 3.57Å; R225-R238 WeakPolarHBondContact O-CA 3.35Å; R225-V239 PolarHBondContact N-O 3.23Å; R225-V239 PolarHBondContact O-N 3.4Å; R225-E241 WeakPolarHBondContact CD-OE2 3.29Å; R225-E241 IonicContact CZ-OE2 2.69Å; R225-E241 IonicContact NE-OE2 3.21Å; R225-E241 PolarHBondContact NE-OE2 2.86Å; R225-E241 IonicContact NH2-OE2 2.8Å
226R84Confident75.5Confident104 Ų10471.9 Ų71.939%0.39240%0.395SS..EExtended strand (participates in β ladder)trans-72.9135.4159.4-67.2175.1168.5152.6-2109.1P193 E194 L196P193-R226 WeakPolarHBondContact CB-O 2.93Å; E194-R226 PolarHBondContact O-N 3.2Å; E194-R226 IonicContact OE2-CZ 3.8Å; E194-R226 IonicContact OE2-NH1 2.95Å; E194-R226 PolarHBondContact OE2-NH1 3.19Å; L196-R226 HydrophobicContact CD1-CG 4.22Å; L196-R226 HydrophobicContact CD2-CG 4.31Å; L196-R226 HydrophobicContact CG-CG 4.23Å
227A73.8Confident74.9Confident28 Ų2865.9 Ų65.923%0.23138%0.378CS..PPolyproline II helixtrans-71.6131.9167.200000109.6G229 D237 V239A227-G229 PolarHBondContact O-N 3.21Å; A227-D237 HydrophobicContact CB-CB 4.42Å; A227-D237 WeakPolarHBondContact CB-O 3.22Å; A227-D237 PolarHBondContact N-O 3.09Å; A227-V239 HydrophobicContact CB-CG2 4.2Å
228P59.9Low74.8Confident94 Ų9464.1 Ų64.161%0.6137%0.371SS*.THydrogen-bonded Turntrans-72.1117.4172.428.2-31.6000110
229G60.7Low74.7Confident77 Ų7763.3 Ų63.379%0.79437%0.369SS*.THydrogen-bonded Turntrans124.7-2.8171.100000117A227 D231A227-G229 PolarHBondContact O-N 3.21Å; G229-D231 PolarHBondContact O-N 2.73Å
230S54.6Low74.7Confident31 Ų3155.5 Ų55.522%0.21734%0.34CS..  trans-97.464.7-177.762.80000113.4G232 P236 D237S230-G232 PolarHBondContact O-N 2.79Å; S230-P236 WeakPolarHBondContact OG-CA 3.49Å; S230-D237 PolarHBondContact OG-N 3.03Å
231D53.2Low74.7Confident174 Ų17456.4 Ų56.493%0.9334%0.344SS*.  trans-85.945164.7-69.9-43.8000110.5G229G229-D231 PolarHBondContact O-N 2.73Å
232G55.1Low74.7Confident39 Ų3954.2 Ų54.240%0.40234%0.336SS..SBendtrans-91.8164.8179.800000112.8S230 D234 G235S230-G232 PolarHBondContact O-N 2.79Å; G232-D234 PolarHBondContact O-N 2.98Å; G232-G235 PolarHBondContact O-N 2.99Å; G232-G235 VanDerWaalsContact O-N 3.08Å
233P51.6Low74.6Confident139 Ų13954.6 Ų54.690%0.90334%0.337SS*.THydrogen-bonded Turntrans-63-26.9-17926.2-34.6000113.7G235P233-G235 PolarHBondContact O-N 3.26Å
234D55.1Low74.5Confident166 Ų16656.8 Ų56.889%0.88835%0.349SS*.THydrogen-bonded Turntrans-78.43.4176.8-58.8-54.6000113.8G232G232-D234 PolarHBondContact O-N 2.98Å
235G58.2Low74.2Confident33 Ų3360.7 Ų60.734%0.3438%0.375SS..  trans85.1-174.8177.200000114.8G232 P233 D237G232-G235 PolarHBondContact O-N 2.99Å; G232-G235 VanDerWaalsContact O-N 3.08Å; P233-G235 PolarHBondContact O-N 3.26Å; G235-D237 PolarHBondContact O-N 3.05Å
236P61Low74.2Confident64 Ų6461.1 Ų61.142%0.41638%0.381SS..PPolyproline II helixtrans-73.8119.1-174.528.6-33.6000111S230 R238S230-P236 WeakPolarHBondContact OG-CA 3.49Å; P236-R238 WeakPolarHBondContact O-CG 3.13Å; P236-R238 PolarHBondContact O-N 3.31Å
237D71.3Confident74.4Confident75 Ų7565.8 Ų65.840%0.40140%0.404SS..PPolyproline II helixtrans-68.9120.6175.5-164.411.3000108.6A227 S230 G235A227-D237 HydrophobicContact CB-CB 4.42Å; A227-D237 WeakPolarHBondContact CB-O 3.22Å; A227-D237 PolarHBondContact N-O 3.09Å; S230-D237 PolarHBondContact OG-N 3.03Å; G235-D237 PolarHBondContact O-N 3.05Å
238R87.1Confident75.1Confident32 Ų3266 Ų6612%0.12140%0.404CS..EExtended strand (participates in β ladder)trans-102.7139.6-173.2-63.5178.7-170-167.67.6109.7L196 L224 R225 P236 C257 E307 C308L196-R238 HydrophobicContact CD1-CG 4.25Å; L224-R238 HydrophobicContact CD1-CB 4.17Å; R225-R238 CarbonylContact O-C 3.57Å; R225-R238 WeakPolarHBondContact O-CA 3.35Å; P236-R238 WeakPolarHBondContact O-CG 3.13Å; P236-R238 PolarHBondContact O-N 3.31Å; R238-C257 HydrophobicContact CB-CB 4.18Å; R238-C257 WeakPolarHBondContact O-CB 3.5Å; R238-C257 PolarHBondContact O-N 3.01Å; R238-C257 PolarHBondContact O-SG 2.91Å; R238-E307 IonicContact CZ-OE1 2.68Å; R238-E307 IonicContact CZ-OE2 3.05Å; R238-E307 IonicContact NH1-OE1 3.29Å; R238-E307 PolarHBondContact NH1-OE1 2.85Å; R238-E307 IonicContact NH1-OE2 3.26Å; R238-E307 PolarHBondContact NH1-OE2 3.21Å; R238-E307 VanDerWaalsContact NH2-CD 3.29Å; R238-E307 IonicContact NH2-OE1 3.33Å; R238-E307 PolarHBondContact NH2-OE1 2.8Å; R238-E307 IonicContact NH2-OE2 2.69Å; R238-C308 HydrophobicContact CB-CB 4.45Å; R238-C308 WeakPolarHBondContact CD-SG 3.25Å; R238-C308 PolarHBondContact NH1-SG 3.01Å
239V90.9Very high76.3Confident30 Ų3067.1 Ų67.118%0.18241%0.414CS..EExtended strand (participates in β ladder)trans-116.7130.4-178.8-179.50000109.7R225 A227 E241 Q254R225-V239 PolarHBondContact N-O 3.23Å; R225-V239 PolarHBondContact O-N 3.4Å; A227-V239 HydrophobicContact CB-CG2 4.2Å; V239-E241 HydrophobicContact CG1-CG 4.21Å; V239-Q254 HydrophobicContact CG1-CG 3.69Å
240L92.6Very high77.5Confident3 Ų373 Ų732%0.01641%0.412CS..EExtended strand (participates in β ladder)trans-101.5128.7176.1-170.565.1000110.1L222 L224 Q254 A255 I260 L280 L305L222-L240 HydrophobicContact CD1-CD1 3.76Å; L222-L240 HydrophobicContact CD1-CD2 4.47Å; L222-L240 HydrophobicContact CD1-CG 4.04Å; L222-L240 HydrophobicContact CG-CD1 4.13Å; L224-L240 HydrophobicContact CB-CD1 4.32Å; L224-L240 HydrophobicContact CD1-CD1 4.38Å; L240-Q254 WeakPolarHBondContact O-CA 3.4Å; L240-A255 PolarHBondContact N-O 3.28Å; L240-A255 PolarHBondContact O-N 2.77Å; L240-I260 HydrophobicContact CD2-CD1 3.93Å; L240-L280 HydrophobicContact CD2-CD1 3.95Å; L240-L280 HydrophobicContact CD2-CD2 3.55Å; L240-L280 HydrophobicContact CD2-CG 4.4Å; L240-L305 HydrophobicContact CD1-CD2 3.67Å; L240-L305 HydrophobicContact CD2-CD2 3.84Å; L240-L305 HydrophobicContact CG-CD2 4.4Å
241E94.1Very high79.3Confident19 Ų1973.4 Ų73.49%0.08941%0.414CS..EExtended strand (participates in β ladder)trans-126.5129.1-175.5-54.9-166120.800111.3L222 A223 R225 V239 F243 P251 L253 Q254L222-E241 CarbonylContact C-O 3.59Å; L222-E241 WeakPolarHBondContact CA-O 3.45Å; A223-E241 HydrophobicContact CB-CB 4.39Å; A223-E241 PolarHBondContact N-O 2.69Å; A223-E241 PolarHBondContact O-N 3.17Å; R225-E241 WeakPolarHBondContact CD-OE2 3.29Å; R225-E241 IonicContact CZ-OE2 2.69Å; R225-E241 IonicContact NE-OE2 3.21Å; R225-E241 PolarHBondContact NE-OE2 2.86Å; R225-E241 IonicContact NH2-OE2 2.8Å; V239-E241 HydrophobicContact CG1-CG 4.21Å; E241-F243 HydrophobicContact CB-CD2 4.21Å; E241-F243 HydrophobicContact CB-CE2 3.52Å; E241-F243 HydrophobicContact CB-CZ 4.15Å; E241-F243 HydrophobicContact CG-CE2 4.38Å; E241-F243 WeakPolarHBondContact OE2-CE2 3.04Å; E241-F243 VanDerWaalsContact OE2-CZ 3.28Å; E241-F243 WeakPolarHBondContact OE2-CZ 3.29Å; E241-P251 HydrophobicContact CB-CB 4.2Å; E241-L253 CarbonylContact C-O 3.58Å; E241-L253 WeakPolarHBondContact CA-O 3.15Å; E241-Q254 HydrophobicContact CG-CG 4.31Å; E241-Q254 PolarHBondContact OE1-NE2 3.3Å
242L94.6Very high81Confident4 Ų470.4 Ų70.42%0.02139%0.393CS..EExtended strand (participates in β ladder)trans-114.3112.9171.9179.860.2000109.9Y203 L222 P251 K252 L253 I288 F290Y203-L242 HydrophobicContact CD1-CD1 4.25Å; Y203-L242 HydrophobicContact CD1-CD2 4.4Å; Y203-L242 HydrophobicContact CD2-CD2 4.12Å; Y203-L242 HydrophobicContact CE1-CD1 4.25Å; Y203-L242 HydrophobicContact CE1-CD2 4.13Å; Y203-L242 HydrophobicContact CE1-CG 4.44Å; Y203-L242 HydrophobicContact CE2-CD2 3.83Å; Y203-L242 HydrophobicContact CG-CD2 4.37Å; L222-L242 HydrophobicContact CD1-CB 4.4Å; L222-L242 HydrophobicContact CD1-CD1 4.41Å; L242-P251 CarbonylContact O-C 3.52Å; L242-K252 PolarHBondContact O-N 2.94Å; L242-L253 HydrophobicContact CB-CB 4.12Å; L242-L253 PolarHBondContact N-O 2.77Å; L242-L253 PolarHBondContact O-N 3.19Å; L242-I288 HydrophobicContact CD2-CD1 4.11Å; L242-F290 HydrophobicContact CD1-CE1 3.78Å; L242-F290 HydrophobicContact CD1-CZ 4.05Å; L242-F290 HydrophobicContact CD2-CE1 4.42Å; L242-F290 HydrophobicContact CD2-CZ 4.03Å
243F94.3Very high82.6Confident9 Ų969.4 Ų69.44%0.03938%0.378CS..EExtended strand (participates in β ladder)trans-99121176.4-59.4-101.3000110.7G220 R221 A223 E241 P245 S248 R250 P251G220-F243 CarbonylContact C-O 3.59Å; G220-F243 WeakPolarHBondContact CA-O 3.22Å; R221-F243 HydrophobicContact CB-CB 4.2Å; R221-F243 PolarHBondContact N-O 3.27Å; R221-F243 VanDerWaalsContact NH2-CE2 3.31Å; R221-F243 VanDerWaalsContact NH2-CG 3.28Å; R221-F243 PolarHBondContact O-N 3.39Å; A223-F243 HydrophobicContact CB-CE2 4.28Å; E241-F243 HydrophobicContact CB-CD2 4.21Å; E241-F243 HydrophobicContact CB-CE2 3.52Å; E241-F243 HydrophobicContact CB-CZ 4.15Å; E241-F243 HydrophobicContact CG-CE2 4.38Å; E241-F243 WeakPolarHBondContact OE2-CE2 3.04Å; E241-F243 VanDerWaalsContact OE2-CZ 3.28Å; E241-F243 WeakPolarHBondContact OE2-CZ 3.29Å; F243-P245 CarbonylContact C-O 3.56Å; F243-P245 CarbonylContact O-C 3.57Å; F243-S248 VanDerWaalsContact CD1-O 3.23Å; F243-S248 WeakPolarHBondContact CD1-O 3.48Å; F243-R250 VanDerWaalsContact CD1-C 3.43Å; F243-R250 WeakPolarHBondContact CD1-O 2.95Å; F243-P251 HydrophobicContact CD1-CB 4.26Å; F243-P251 HydrophobicContact CE1-CB 4.11Å; F243-P251 HydrophobicContact CE1-CG 4.41Å; F243-P251 HydrophobicContact CE2-CB 4.46Å; F243-P251 HydrophobicContact CZ-CB 4.2Å
244D90.6Very high84.5Confident46 Ų4668.2 Ų68.225%0.24636%0.36CS..SBendtrans-130.7121.5172.1170.635.1000108.4Y203 K252Y203-D244 HydrophobicContact CE1-CB 4.21Å; Y203-D244 PolarHBondContact OH-OD2 2.76Å; D244-K252 HydrophobicContact CB-CB 4.47Å; D244-K252 HydrophobicContact CB-CD 3.68Å; D244-K252 IonicContact OD2-NZ 2.62Å; D244-K252 PolarHBondContact OD2-NZ 2.71Å
245P86.8Confident86.2Confident82 Ų8260.8 Ų60.853%0.53232%0.322SS..SBendcis-67.6166.6-1.329.6-36.8000113F243 K247 S248F243-P245 CarbonylContact C-O 3.56Å; F243-P245 CarbonylContact O-C 3.57Å; P245-K247 PolarHBondContact O-N 3.31Å; P245-S248 WeakPolarHBondContact O-CB 3.36Å; P245-S248 PolarHBondContact O-N 2.89Å
246P88.3Confident87.7Confident35 Ų3560.8 Ų60.823%0.22732%0.319CS..THydrogen-bonded Turntrans-63.8-0.8-173.7-23.134.7000116R219 R221R219-P246 HydrophobicContact CB-CG 3.99Å; R219-P246 VanDerWaalsContact O-CD 3.23Å; R219-P246 WeakPolarHBondContact O-CD 3Å; R219-P246 VanDerWaalsContact O-CG 3.27Å; R219-P246 WeakPolarHBondContact O-CG 3.49Å; R221-P246 HydrophobicContact CB-CB 4.08Å; R221-P246 WeakPolarHBondContact CD-O 3.18Å; R221-P246 PolarHBondContact NH1-O 3.11Å
247K88.2Confident89Confident202 Ų20257.8 Ų57.888%0.87830%0.3SS*.THydrogen-bonded Turntrans-113.87.4175.1-63.7-172.4177.7-175.50113.2P245P245-K247 PolarHBondContact O-N 3.31Å
248S88.3Confident89.6Confident33 Ų3358.7 Ų58.723%0.23131%0.312CS..  trans-61.6145.5175.2-175.50000111.2R221 F243 P245 R250R221-S248 PolarHBondContact NH1-O 3.31Å; R221-S248 VanDerWaalsContact NH1-O 3.13Å; F243-S248 VanDerWaalsContact CD1-O 3.23Å; F243-S248 WeakPolarHBondContact CD1-O 3.48Å; P245-S248 WeakPolarHBondContact O-CB 3.36Å; P245-S248 PolarHBondContact O-N 2.89Å; S248-R250 WeakPolarHBondContact CB-O 3.33Å; S248-R250 PolarHBondContact OG-N 3.46Å; S248-R250 VanDerWaalsContact OG-N 3.08Å; S248-R250 PolarHBondContact OG-O 3.2Å
249S85.6Confident89.7Confident117 Ų11758.8 Ų58.882%0.81832%0.318SS*.SBendtrans-89.3-7.9169.755.20000113.3
250R87.1Confident89.7Confident199 Ų19958 Ų5875%0.75131%0.312SS*.SBendtrans-122.8133.9174.2-69.9-177.1174.3177.5-2.6110.4F243 S248F243-R250 VanDerWaalsContact CD1-C 3.43Å; F243-R250 WeakPolarHBondContact CD1-O 2.95Å; S248-R250 WeakPolarHBondContact CB-O 3.33Å; S248-R250 PolarHBondContact OG-N 3.46Å; S248-R250 VanDerWaalsContact OG-N 3.08Å; S248-R250 PolarHBondContact OG-O 3.2Å
251P90.6Very high89.6Confident41 Ų4163.7 Ų63.727%0.26634%0.339SS..  trans-70.6148.217529-33.4000111.4E241 L242 F243 L253 Q254E241-P251 HydrophobicContact CB-CB 4.2Å; L242-P251 CarbonylContact O-C 3.52Å; F243-P251 HydrophobicContact CD1-CB 4.26Å; F243-P251 HydrophobicContact CE1-CB 4.11Å; F243-P251 HydrophobicContact CE1-CG 4.41Å; F243-P251 HydrophobicContact CE2-CB 4.46Å; F243-P251 HydrophobicContact CZ-CB 4.2Å; P251-L253 WeakPolarHBondContact CB-O 3.49Å; P251-Q254 HydrophobicContact CB-CB 4.38Å; P251-Q254 HydrophobicContact CG-CB 3.93Å; P251-Q254 HydrophobicContact CG-CG 4.47Å
252K89.9Confident89.4Confident110 Ų11066 Ų6648%0.47835%0.35SS..SBendtrans-85-31171178.7174.5172.7174.30111.4Y203 L242 D244Y203-K252 WeakPolarHBondContact OH-CD 3.46Å; Y203-K252 WeakPolarHBondContact OH-CE 3.27Å; Y203-K252 PolarHBondContact OH-NZ 2.8Å; L242-K252 PolarHBondContact O-N 2.94Å; D244-K252 HydrophobicContact CB-CB 4.47Å; D244-K252 HydrophobicContact CB-CD 3.68Å; D244-K252 IonicContact OD2-NZ 2.62Å; D244-K252 PolarHBondContact OD2-NZ 2.71Å
253L89.2Confident89.4Confident18 Ų1866.2 Ų66.29%0.09435%0.351CS..EExtended strand (participates in β ladder)trans-128.8132.1163.9-18074.5000108.6E241 L242 P251 V282 R285 I288E241-L253 CarbonylContact C-O 3.58Å; E241-L253 WeakPolarHBondContact CA-O 3.15Å; L242-L253 HydrophobicContact CB-CB 4.12Å; L242-L253 PolarHBondContact N-O 2.77Å; L242-L253 PolarHBondContact O-N 3.19Å; P251-L253 WeakPolarHBondContact CB-O 3.49Å; L253-V282 HydrophobicContact CD2-CG2 4.32Å; L253-R285 HydrophobicContact CD1-CG 3.99Å; L253-I288 HydrophobicContact CD2-CD1 3.79Å
254Q91.5Very high89.4Confident114 Ų11468.3 Ų68.353%0.53336%0.358SS..EExtended strand (participates in β ladder)trans-128.9130.5166.3-173.217762.400107.1V239 L240 E241 P251V239-Q254 HydrophobicContact CG1-CG 3.69Å; L240-Q254 WeakPolarHBondContact O-CA 3.4Å; E241-Q254 HydrophobicContact CG-CG 4.31Å; E241-Q254 PolarHBondContact OE1-NE2 3.3Å; P251-Q254 HydrophobicContact CB-CB 4.38Å; P251-Q254 HydrophobicContact CG-CB 3.93Å; P251-Q254 HydrophobicContact CG-CG 4.47Å
255A90.2Very high89.6Confident11 Ų1172.1 Ų72.19%0.09137%0.369CS..EExtended strand (participates in β ladder)trans-150138.3-174.900000110.9L240 V282L240-A255 PolarHBondContact N-O 3.28Å; L240-A255 PolarHBondContact O-N 2.77Å; A255-V282 HydrophobicContact CB-CG1 3.79Å
256A89.4Confident89.7Confident33 Ų3369.1 Ų69.127%0.27335%0.35SS..EExtended strand (participates in β ladder)trans-68.5143.1168.700000109.6S258 S259A256-S258 PolarHBondContact O-N 2.86Å; A256-S259 WeakPolarHBondContact O-CB 3.04Å; A256-S259 PolarHBondContact O-N 3.33Å; A256-S259 PolarHBondContact O-OG 3.3Å
257C87.8Confident89.6Confident1 Ų170.4 Ų70.41%0.00736%0.358CS..G310 helixtrans-68.1-23.8-175.9-67.90000113.1R238 S259 I260 C308R238-C257 HydrophobicContact CB-CB 4.18Å; R238-C257 WeakPolarHBondContact O-CB 3.5Å; R238-C257 PolarHBondContact O-N 3.01Å; R238-C257 PolarHBondContact O-SG 2.91Å; C257-S259 PolarHBondContact O-N 3.29Å; C257-I260 HydrophobicContact CB-CD1 3.99Å; C257-I260 WeakPolarHBondContact O-CB 3.39Å; C257-I260 PolarHBondContact O-N 2.9Å; C257-I260 VanDerWaalsContact O-N 3.08Å; C257-C308 HydrophobicContact CB-CB 3.55Å; C257-C308 WeakPolarHBondContact CB-O 3.21Å
258S85.4Confident89Confident94 Ų9463.4 Ų63.466%0.65733%0.326SS*.G310 helixtrans-59.2-19.1166.253.20000114.3A256A256-S258 PolarHBondContact O-N 2.86Å
259S88.6Confident88.5Confident34 Ų3468.4 Ų68.424%0.23835%0.349CS..G310 helixtrans-91.2-4.1174.974.40000114.3A256 C257 Q261 K283A256-S259 WeakPolarHBondContact O-CB 3.04Å; A256-S259 PolarHBondContact O-N 3.33Å; A256-S259 PolarHBondContact O-OG 3.3Å; C257-S259 PolarHBondContact O-N 3.29Å; S259-Q261 PolarHBondContact O-N 3.34Å; S259-K283 WeakPolarHBondContact O-CB 3.37Å; S259-K283 PolarHBondContact O-N 2.81Å
260I91Very high88.3Confident12 Ų1266 Ų666%0.06233%0.325CS..EExtended strand (participates in β ladder)trans-76.8119.1176.2-59.2169000108.5L240 C257 V263 L280 V282 T309L240-I260 HydrophobicContact CD2-CD1 3.93Å; C257-I260 HydrophobicContact CB-CD1 3.99Å; C257-I260 WeakPolarHBondContact O-CB 3.39Å; C257-I260 PolarHBondContact O-N 2.9Å; C257-I260 VanDerWaalsContact O-N 3.08Å; I260-V263 HydrophobicContact CG2-CG2 3.4Å; I260-V263 VanDerWaalsContact CG2-CG2 3.4Å; I260-L280 HydrophobicContact CD1-CD1 4.16Å; I260-L280 HydrophobicContact CG1-CD1 4.24Å; I260-L280 HydrophobicContact CG2-CD1 3.77Å; I260-V282 HydrophobicContact CG1-CG2 4.34Å; I260-T309 HydrophobicContact CB-CG2 3.81Å; I260-T309 HydrophobicContact CG2-CG2 3.85Å
261Q90.2Very high88.1Confident124 Ų12457.4 Ų57.458%0.57929%0.293SS*.EExtended strand (participates in β ladder)trans-84.3-43.4-178.7-63.8-172.6-1.700112.2S259 K281 K283S259-Q261 PolarHBondContact O-N 3.34Å; Q261-K281 HydrophobicContact CB-CB 4.48Å; Q261-K281 PolarHBondContact N-O 2.81Å; Q261-K283 HydrophobicContact CG-CB 4.05Å
262E90.6Very high87.2Confident68 Ų6858.2 Ų58.232%0.31830%0.299SS..EExtended strand (participates in β ladder)trans-145.9133.5-173.6-173.5-179.5-169.400110R264 K281E262-R264 HydrophobicContact CG-CG 4.19Å; E262-R264 WeakPolarHBondContact OE1-CD 3.48Å; E262-R264 IonicContact OE1-CZ 3.73Å; E262-R264 IonicContact OE1-NE 2.68Å; E262-R264 PolarHBondContact OE1-NE 2.89Å; E262-R264 IonicContact OE2-NE 2.73Å; E262-K281 HydrophobicContact CB-CB 4Å; E262-K281 HydrophobicContact CB-CD 4.02Å; E262-K281 HydrophobicContact CB-CG 3.94Å; E262-K281 PolarHBondContact N-O 2.89Å; E262-K281 PolarHBondContact O-N 3.38Å; E262-K281 WeakPolarHBondContact OE2-CD 3.32Å; E262-K281 WeakPolarHBondContact OE2-CE 3.42Å; E262-K281 IonicContact OE2-NZ 3.42Å; E262-K281 PolarHBondContact OE2-NZ 3.02Å
263V94.1Very high86.5Confident8 Ų858.5 Ų58.55%0.04831%0.306CS..EExtended strand (participates in β ladder)trans-128.2113.4168.2-168.80000107.6I260 L280 M302 L305 R306 T309I260-V263 HydrophobicContact CG2-CG2 3.4Å; I260-V263 VanDerWaalsContact CG2-CG2 3.4Å; V263-L280 HydrophobicContact CG2-CD1 4.17Å; V263-M302 HydrophobicContact CG1-CE 4.06Å; V263-M302 HydrophobicContact CG1-SD 3.9Å; V263-M302 WeakPolarHBondContact O-CE 3.49Å; V263-L305 HydrophobicContact CG1-CB 3.88Å; V263-L305 HydrophobicContact CG1-CD1 4.14Å; V263-L305 HydrophobicContact CG2-CB 4.12Å; V263-R306 HydrophobicContact CB-CG 4.48Å; V263-R306 PolarHBondContact O-NE 2.99Å; V263-R306 PolarHBondContact O-NH2 2.98Å; V263-T309 HydrophobicContact CG2-CG2 4.48Å
264R94.3Very high86.1Confident53 Ų5359.2 Ų59.220%0.231%0.309CS..EExtended strand (participates in β ladder)trans-144.5160.3178.361.3165.4167.580.60.9111.9E262 E270 F278 V279E262-R264 HydrophobicContact CG-CG 4.19Å; E262-R264 WeakPolarHBondContact OE1-CD 3.48Å; E262-R264 IonicContact OE1-CZ 3.73Å; E262-R264 IonicContact OE1-NE 2.68Å; E262-R264 PolarHBondContact OE1-NE 2.89Å; E262-R264 IonicContact OE2-NE 2.73Å; R264-E270 IonicContact CZ-OE1 3.6Å; R264-E270 VanDerWaalsContact CZ-OE1 3.27Å; R264-E270 IonicContact CZ-OE2 3.08Å; R264-E270 VanDerWaalsContact NH1-CD 3.26Å; R264-E270 IonicContact NH1-OE1 3.7Å; R264-E270 PolarHBondContact NH1-OE1 2.82Å; R264-E270 IonicContact NH1-OE2 2.71Å; R264-E270 PolarHBondContact NH1-OE2 2.58Å; R264-E270 IonicContact NH2-OE1 3.54Å; R264-E270 PolarHBondContact NH2-OE1 2.85Å; R264-E270 IonicContact NH2-OE2 2.91Å; R264-F278 CarbonylContact O-C 3.49Å; R264-F278 VanDerWaalsContact O-CA 3.28Å; R264-F278 WeakPolarHBondContact O-CA 3.44Å; R264-F278 WeakPolarHBondContact O-CB 3.27Å; R264-V279 HydrophobicContact CG-CB 4.42Å; R264-V279 PolarHBondContact N-O 2.99Å; R264-V279 VanDerWaalsContact N-O 3.14Å; R264-V279 PolarHBondContact O-N 2.82Å
265R93.9Very high85.6Confident125 Ų12559.1 Ų59.147%0.47231%0.312SS..EExtended strand (participates in β ladder)trans-61149.8165-60.8-176.1-173.984.1-0108.9T277 L298 N299 M302R265-T277 WeakPolarHBondContact CA-O 3.44Å; R265-L298 HydrophobicContact CG-CD2 4.04Å; R265-L298 HydrophobicContact CG-CG 4.47Å; R265-N299 PolarHBondContact NH2-OD1 3.48Å; R265-M302 HydrophobicContact CG-CG 4.47Å; R265-M302 HydrophobicContact CG-SD 4.41Å
266C90Very high85.7Confident20 Ų2063.1 Ų63.114%0.13533%0.325CS..PPolyproline II helixtrans-65.5141.9172-58.80000109.6E270 M271 T277 V279C266-E270 HydrophobicContact CB-CB 4.36Å; C266-M271 HydrophobicContact CB-CB 3.79Å; C266-M271 HydrophobicContact CB-CG 3.87Å; C266-T277 WeakPolarHBondContact CB-OG1 3.48Å; C266-T277 PolarHBondContact N-O 2.9Å; C266-T277 VanDerWaalsContact SG-CB 3.6Å; C266-T277 PolarHBondContact SG-OG1 3.05Å; C266-T277 VanDerWaalsContact SG-OG1 3.39Å; C266-V279 HydrophobicContact CB-CG2 4.37Å; C266-V279 VanDerWaalsContact SG-CG2 3.55Å
267T85.3Confident86Confident62 Ų6261.6 Ų61.638%0.3831%0.313SS..PPolyproline II helixtrans-70.6158.2162.267.10000109L269 E270 M271T267-L269 PolarHBondContact O-N 2.92Å; T267-E270 WeakPolarHBondContact CB-OE2 3.42Å; T267-E270 WeakPolarHBondContact CG2-OE2 3.23Å; T267-E270 PolarHBondContact N-OE2 2.78Å; T267-E270 PolarHBondContact O-N 3.03Å; T267-E270 VanDerWaalsContact O-N 3.12Å; T267-E270 PolarHBondContact OG1-N 3.19Å; T267-E270 PolarHBondContact OG1-OE2 3.02Å; T267-M271 PolarHBondContact O-N 3.4Å
268R76.1Confident86.3Confident55 Ų5561.6 Ų61.621%0.20831%0.312CS..THydrogen-bonded Turntrans-72.4-2.7175.6-70.6-176.465.4-155.8-2.1114.2P272 L275 G349 L350R268-P272 WeakPolarHBondContact O-CA 3.47Å; R268-P272 WeakPolarHBondContact O-CB 3.34Å; R268-L275 HydrophobicContact CG-CD2 4Å; R268-G349 PolarHBondContact NH1-O 3.34Å; R268-G349 VanDerWaalsContact NH1-O 3.09Å; R268-L350 HydrophobicContact CB-CB 4.3Å; R268-L350 WeakPolarHBondContact CB-O 3.36Å; R268-L350 VanDerWaalsContact CD-O 3.27Å; R268-L350 WeakPolarHBondContact CD-O 3.36Å; R268-L350 PolarHBondContact NE-O 3.13Å; R268-L350 PolarHBondContact NH1-O 2.57Å; R268-L350 VanDerWaalsContact NH1-O 3.11Å
269L78.1Confident86.8Confident137 Ų13757.2 Ų57.272%0.71728%0.282SS*.THydrogen-bonded Turntrans-76.6-45.8164.9-69.9170.9000110.9T267 L350T267-L269 PolarHBondContact O-N 2.92Å; L269-L350 HydrophobicContact CD1-CD2 3.94Å; L269-L350 HydrophobicContact CD2-CD2 3.53Å; L269-L350 HydrophobicContact CG-CD2 3.55Å
270E81.3Confident87Confident66 Ų6655.7 Ų55.731%0.30827%0.271SS..THydrogen-bonded Turntrans-73.4-40179-63.6152.2132.900111.5R264 C266 T267R264-E270 IonicContact CZ-OE1 3.6Å; R264-E270 VanDerWaalsContact CZ-OE1 3.27Å; R264-E270 IonicContact CZ-OE2 3.08Å; R264-E270 VanDerWaalsContact NH1-CD 3.26Å; R264-E270 IonicContact NH1-OE1 3.7Å; R264-E270 PolarHBondContact NH1-OE1 2.82Å; R264-E270 IonicContact NH1-OE2 2.71Å; R264-E270 PolarHBondContact NH1-OE2 2.58Å; R264-E270 IonicContact NH2-OE1 3.54Å; R264-E270 PolarHBondContact NH2-OE1 2.85Å; R264-E270 IonicContact NH2-OE2 2.91Å; C266-E270 HydrophobicContact CB-CB 4.36Å; T267-E270 WeakPolarHBondContact CB-OE2 3.42Å; T267-E270 WeakPolarHBondContact CG2-OE2 3.23Å; T267-E270 PolarHBondContact N-OE2 2.78Å; T267-E270 PolarHBondContact O-N 3.03Å; T267-E270 VanDerWaalsContact O-N 3.12Å; T267-E270 PolarHBondContact OG1-N 3.19Å; T267-E270 PolarHBondContact OG1-OE2 3.02Å
271M83.1Confident87.2Confident19 Ų1957.2 Ų57.29%0.09428%0.277CS..  trans-136.785.8-179.1-73.1-55.2-42.700111.9W217 C266 T267 D273 N274 T277 I289W217-M271 HydrophobicContact CH2-CE 4.27Å; W217-M271 HydrophobicContact CH2-SD 4.06Å; W217-M271 HydrophobicContact CZ2-CE 3.65Å; W217-M271 HydrophobicContact CZ2-SD 3.69Å; C266-M271 HydrophobicContact CB-CB 3.79Å; C266-M271 HydrophobicContact CB-CG 3.87Å; T267-M271 PolarHBondContact O-N 3.4Å; M271-D273 VanDerWaalsContact C-N 3.35Å; M271-D273 PolarHBondContact O-N 3.37Å; M271-N274 HydrophobicContact CE-CB 4.19Å; M271-T277 HydrophobicContact CE-CG2 4.48Å; M271-T277 HydrophobicContact CG-CG2 4.15Å; M271-I289 HydrophobicContact CG-CG2 3.99Å; M271-I289 HydrophobicContact SD-CG2 4.29Å
272P70.6Confident87.2Confident58 Ų5851.7 Ų51.738%0.37725%0.252SS..SBendtrans-72.2-24.4-17726.9-34.9000114.4R268 R401R268-P272 WeakPolarHBondContact O-CA 3.47Å; R268-P272 WeakPolarHBondContact O-CB 3.34Å; P272-R401 PolarHBondContact O-NH2 3.32Å
273D75.6Confident87.1Confident117 Ų11753.9 Ų53.963%0.62626%0.26SS*.SBendtrans-115.6-2.9-168.3-64.4-38.6000115M271 R401M271-D273 VanDerWaalsContact C-N 3.35Å; M271-D273 PolarHBondContact O-N 3.37Å; D273-R401 IonicContact OD1-CZ 3.49Å; D273-R401 IonicContact OD1-NH1 2.67Å; D273-R401 PolarHBondContact OD1-NH1 3.4Å; D273-R401 IonicContact OD1-NH2 3.72Å; D273-R401 PolarHBondContact OD1-NH2 2.83Å; D273-R401 VanDerWaalsContact OD1-NH2 3.13Å
274N80.4Confident86.7Confident32 Ų3260.1 Ų60.117%0.17129%0.293CS..  trans-139107.2171.8-168.1-10.7000111.7M271 Y276 T277 E291M271-N274 HydrophobicContact CE-CB 4.19Å; N274-Y276 VanDerWaalsContact C-N 3.29Å; N274-Y276 PolarHBondContact O-N 3.1Å; N274-Y276 PolarHBondContact OD1-N 3.12Å; N274-T277 HydrophobicContact CB-CG2 3.86Å; N274-T277 WeakPolarHBondContact O-CG2 3.17Å; N274-T277 PolarHBondContact O-OG1 3.44Å; N274-E291 VanDerWaalsContact ND2-CG 3.32Å; N274-E291 WeakPolarHBondContact ND2-CG 3.38Å; N274-E291 PolarHBondContact ND2-OE2 3.01Å
275L82Confident86.3Confident113 Ų11364.8 Ų64.859%0.59231%0.311SS*.SBendtrans-75-17.7178.9-57.4177.8000112.9R268 T277R268-L275 HydrophobicContact CG-CD2 4Å; L275-T277 PolarHBondContact O-N 2.87Å; L275-T277 VanDerWaalsContact O-N 3.11Å
276Y93.1Very high85.9Confident94 Ų9462.3 Ų62.337%0.36931%0.31SS..SBendtrans-89.954.8178.6-51.9-40.8000110.4N274 V292 E295N274-Y276 VanDerWaalsContact C-N 3.29Å; N274-Y276 PolarHBondContact O-N 3.1Å; N274-Y276 PolarHBondContact OD1-N 3.12Å; Y276-V292 WeakPolarHBondContact O-CG2 3.45Å; Y276-V292 PolarHBondContact O-N 3.44Å; Y276-E295 HydrophobicContact CD1-CB 4.21Å; Y276-E295 HydrophobicContact CE1-CB 3.78Å
277T94.1Very high86Confident2 Ų263.6 Ų63.61%0.01232%0.315CS..EExtended strand (participates in β ladder)trans-134.8145.5-176.755.70000112.8R265 C266 M271 N274 L275 F290 E291R265-T277 WeakPolarHBondContact CA-O 3.44Å; C266-T277 WeakPolarHBondContact CB-OG1 3.48Å; C266-T277 PolarHBondContact N-O 2.9Å; C266-T277 VanDerWaalsContact SG-CB 3.6Å; C266-T277 PolarHBondContact SG-OG1 3.05Å; C266-T277 VanDerWaalsContact SG-OG1 3.39Å; M271-T277 HydrophobicContact CE-CG2 4.48Å; M271-T277 HydrophobicContact CG-CG2 4.15Å; N274-T277 HydrophobicContact CB-CG2 3.86Å; N274-T277 WeakPolarHBondContact O-CG2 3.17Å; N274-T277 PolarHBondContact O-OG1 3.44Å; L275-T277 PolarHBondContact O-N 2.87Å; L275-T277 VanDerWaalsContact O-N 3.11Å; T277-F290 CarbonylContact C-O 3.54Å; T277-F290 WeakPolarHBondContact CA-O 3.42Å; T277-F290 WeakPolarHBondContact CB-O 3.48Å; T277-E291 HydrophobicContact CG2-CB 4.12Å
278F95.5Very high86.3Confident0 Ų061 Ų610%030%0.299CS..EExtended strand (participates in β ladder)trans-135.3144.3175.769-92.2000112.6L201 L222 R264 L280 I289 F290 V292 L298 W301 M302 L305L201-F278 HydrophobicContact CD1-CE1 4.43Å; L201-F278 HydrophobicContact CD1-CZ 4.48Å; L222-F278 HydrophobicContact CD2-CZ 4.02Å; R264-F278 CarbonylContact O-C 3.49Å; R264-F278 VanDerWaalsContact O-CA 3.28Å; R264-F278 WeakPolarHBondContact O-CA 3.44Å; R264-F278 WeakPolarHBondContact O-CB 3.27Å; F278-L280 HydrophobicContact CE2-CB 4.48Å; F278-I289 CarbonylContact O-C 3.52Å; F278-I289 WeakPolarHBondContact O-CA 3.31Å; F278-F290 HydrophobicContact CD1-CB 3.85Å; F278-F290 HydrophobicContact CD2-CB 4.22Å; F278-F290 HydrophobicContact CD2-CD2 4.18Å; F278-F290 HydrophobicContact CE1-CB 3.49Å; F278-F290 VanDerWaalsContact CE1-CB 3.49Å; F278-F290 HydrophobicContact CE1-CG 4.18Å; F278-F290 HydrophobicContact CE2-CB 3.88Å; F278-F290 AromaticContact CE2-CD2 3.52Å; F278-F290 HydrophobicContact CE2-CD2 3.52Å; F278-F290 HydrophobicContact CE2-CE2 4.35Å; F278-F290 AromaticContact CE2-CG 3.91Å; F278-F290 HydrophobicContact CE2-CG 3.91Å; F278-F290 HydrophobicContact CG-CB 4.21Å; F278-F290 HydrophobicContact CZ-CB 3.5Å; F278-F290 HydrophobicContact CZ-CD1 4.5Å; F278-F290 AromaticContact CZ-CD2 3.79Å; F278-F290 HydrophobicContact CZ-CD2 3.79Å; F278-F290 AromaticContact CZ-CG 3.68Å; F278-F290 HydrophobicContact CZ-CG 3.68Å; F278-F290 PolarHBondContact N-O 2.94Å; F278-F290 PolarHBondContact O-N 3.48Å; F278-V292 HydrophobicContact CD1-CG1 4.25Å; F278-V292 HydrophobicContact CE1-CG1 3.84Å; F278-L298 HydrophobicContact CB-CD1 3.97Å; F278-L298 HydrophobicContact CD1-CD1 3.91Å; F278-L298 HydrophobicContact CG-CD1 4.43Å; F278-W301 HydrophobicContact CE1-CB 3.95Å; F278-W301 HydrophobicContact CE1-CG 4.26Å; F278-W301 HydrophobicContact CZ-CB 4.24Å; F278-W301 HydrophobicContact CZ-CG 4.46Å; F278-M302 HydrophobicContact CB-SD 3.71Å; F278-M302 HydrophobicContact CG-SD 4.3Å; F278-L305 HydrophobicContact CD2-CD1 4.34Å; F278-L305 HydrophobicContact CE2-CD1 3.55Å; F278-L305 HydrophobicContact CZ-CD1 3.94Å
279V94.5Very high87.2Confident3 Ų359 Ų592%0.01829%0.292CS..EExtended strand (participates in β ladder)trans-91.3129.5171.2-168.40000108.6R264 C266 K281 D287 I289R264-V279 HydrophobicContact CG-CB 4.42Å; R264-V279 PolarHBondContact N-O 2.99Å; R264-V279 VanDerWaalsContact N-O 3.14Å; R264-V279 PolarHBondContact O-N 2.82Å; C266-V279 HydrophobicContact CB-CG2 4.37Å; C266-V279 VanDerWaalsContact SG-CG2 3.55Å; V279-K281 HydrophobicContact CG1-CG 3.97Å; V279-D287 HydrophobicContact CG1-CB 4.4Å; V279-I289 HydrophobicContact CG2-CG1 4.39Å
280L94.6Very high88Confident1 Ų152.4 Ų52.41%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-111.3116.6168.1174.574.8000108.1L240 I260 V263 F278 V282 I288 F290L240-L280 HydrophobicContact CD2-CD1 3.95Å; L240-L280 HydrophobicContact CD2-CD2 3.55Å; L240-L280 HydrophobicContact CD2-CG 4.4Å; I260-L280 HydrophobicContact CD1-CD1 4.16Å; I260-L280 HydrophobicContact CG1-CD1 4.24Å; I260-L280 HydrophobicContact CG2-CD1 3.77Å; V263-L280 HydrophobicContact CG2-CD1 4.17Å; F278-L280 HydrophobicContact CE2-CB 4.48Å; L280-V282 HydrophobicContact CD1-CG2 4.41Å; L280-V282 HydrophobicContact CD2-CG2 4.1Å; L280-V282 HydrophobicContact CG-CG2 4.01Å; L280-I288 PolarHBondContact N-O 2.8Å; L280-I288 PolarHBondContact O-N 3.22Å; L280-F290 HydrophobicContact CB-CD2 4.26Å; L280-F290 HydrophobicContact CB-CE2 4.05Å; L280-F290 HydrophobicContact CD2-CE2 3.81Å
281K93.2Very high88.6Confident45 Ų4550.8 Ų50.820%0.19625%0.25CS..EExtended strand (participates in β ladder)trans-105.7119.9172.7-50.8-159-179.5168.30110.2Q261 E262 V279 D287Q261-K281 HydrophobicContact CB-CB 4.48Å; Q261-K281 PolarHBondContact N-O 2.81Å; E262-K281 HydrophobicContact CB-CB 4Å; E262-K281 HydrophobicContact CB-CD 4.02Å; E262-K281 HydrophobicContact CB-CG 3.94Å; E262-K281 PolarHBondContact N-O 2.89Å; E262-K281 PolarHBondContact O-N 3.38Å; E262-K281 WeakPolarHBondContact OE2-CD 3.32Å; E262-K281 WeakPolarHBondContact OE2-CE 3.42Å; E262-K281 IonicContact OE2-NZ 3.42Å; E262-K281 PolarHBondContact OE2-NZ 3.02Å; V279-K281 HydrophobicContact CG1-CG 3.97Å; K281-D287 WeakPolarHBondContact CB-OD1 3.19Å; K281-D287 WeakPolarHBondContact CD-OD1 3.48Å; K281-D287 VanDerWaalsContact CD-OD2 3.25Å; K281-D287 WeakPolarHBondContact CD-OD2 3.46Å; K281-D287 WeakPolarHBondContact CE-OD2 3.49Å; K281-D287 HydrophobicContact CG-CB 4.49Å; K281-D287 WeakPolarHBondContact CG-OD1 3.48Å; K281-D287 IonicContact NZ-OD2 3.11Å
282V91.5Very high89.2Confident7 Ų750.2 Ų50.24%0.04225%0.248CC..EExtended strand (participates in β ladder)trans-110.8137177-179.30000108.3L253 A255 I260 L280 D284 R285L253-V282 HydrophobicContact CD2-CG2 4.32Å; A255-V282 HydrophobicContact CB-CG1 3.79Å; I260-V282 HydrophobicContact CG1-CG2 4.34Å; L280-V282 HydrophobicContact CD1-CG2 4.41Å; L280-V282 HydrophobicContact CD2-CG2 4.1Å; L280-V282 HydrophobicContact CG-CG2 4.01Å; V282-D284 PolarHBondContact O-N 3.31Å; V282-R285 HydrophobicContact CB-CB 4.07Å; V282-R285 HydrophobicContact CB-CG 4.02Å; V282-R285 HydrophobicContact CG1-CB 4.46Å; V282-R285 HydrophobicContact CG1-CG 3.87Å; V282-R285 WeakPolarHBondContact O-CB 3.24Å; V282-R285 PolarHBondContact O-N 3.04Å
283K88.1Confident90Very high115 Ų11550.1 Ų50.150%0.526%0.257SS..THydrogen-bonded Turntrans-54133.5179.6178.8177.1175.6-170.20110.8S259 Q261 R285S259-K283 WeakPolarHBondContact O-CB 3.37Å; S259-K283 PolarHBondContact O-N 2.81Å; Q261-K283 HydrophobicContact CG-CB 4.05Å; K283-R285 PolarHBondContact O-N 3.38Å
284D85.3Confident90.7Very high138 Ų13847.1 Ų47.174%0.73824%0.241SC*.THydrogen-bonded Turntrans57.831.9178.3-45.7-30.1000113.5V282V282-D284 PolarHBondContact O-N 3.31Å
285R85.6Confident91.3Very high152 Ų15250.9 Ų50.957%0.57426%0.258SS*.SBendtrans-132164.4176-59.8-63.4-177176.51.2111.3L253 V282 K283L253-R285 HydrophobicContact CD1-CG 3.99Å; V282-R285 HydrophobicContact CB-CB 4.07Å; V282-R285 HydrophobicContact CB-CG 4.02Å; V282-R285 HydrophobicContact CG1-CB 4.46Å; V282-R285 HydrophobicContact CG1-CG 3.87Å; V282-R285 WeakPolarHBondContact O-CB 3.24Å; V282-R285 PolarHBondContact O-N 3.04Å; K283-R285 PolarHBondContact O-N 3.38Å
286T86.4Confident91.8Very high72 Ų7253.3 Ų53.344%0.44227%0.266SS..  trans-70.3143.7166.841.20000111I288T286-I288 WeakPolarHBondContact O-CG1 3.48Å
287D91Very high91.7Very high47 Ų4752.5 Ų52.525%0.25127%0.266SS..EExtended strand (participates in β ladder)trans-65.8138.1177.2-75.9-9.2000110.7A206 V279 K281A206-D287 HydrophobicContact CB-CB 4.08Å; A206-D287 PolarHBondContact N-O 2.94Å; V279-D287 HydrophobicContact CG1-CB 4.4Å; K281-D287 WeakPolarHBondContact CB-OD1 3.19Å; K281-D287 WeakPolarHBondContact CD-OD1 3.48Å; K281-D287 VanDerWaalsContact CD-OD2 3.25Å; K281-D287 WeakPolarHBondContact CD-OD2 3.46Å; K281-D287 WeakPolarHBondContact CE-OD2 3.49Å; K281-D287 HydrophobicContact CG-CB 4.49Å; K281-D287 WeakPolarHBondContact CG-OD1 3.48Å; K281-D287 IonicContact NZ-OD2 3.11Å
288I93Very high91.7Very high7 Ų752.6 Ų52.64%0.03627%0.266CS..EExtended strand (participates in β ladder)trans-118.1121.6-175.8-49-168.5000109.8Y203 L205 L242 L253 L280 T286 F290Y203-I288 HydrophobicContact CD2-CG2 3.7Å; Y203-I288 HydrophobicContact CE2-CG2 4.47Å; Y203-I288 HydrophobicContact CG-CG2 4.37Å; L205-I288 HydrophobicContact CD2-CD1 4.01Å; L205-I288 HydrophobicContact CD2-CG1 3.81Å; L205-I288 HydrophobicContact CD2-CG2 4.36Å; L242-I288 HydrophobicContact CD2-CD1 4.11Å; L253-I288 HydrophobicContact CD2-CD1 3.79Å; L280-I288 PolarHBondContact N-O 2.8Å; L280-I288 PolarHBondContact O-N 3.22Å; T286-I288 WeakPolarHBondContact O-CG1 3.48Å; I288-F290 HydrophobicContact CB-CE2 3.94Å; I288-F290 HydrophobicContact CG2-CD2 3.99Å; I288-F290 HydrophobicContact CG2-CE1 4.47Å; I288-F290 HydrophobicContact CG2-CE2 3.43Å; I288-F290 VanDerWaalsContact CG2-CE2 3.43Å; I288-F290 HydrophobicContact CG2-CZ 3.71Å
289I93.6Very high91.6Very high13 Ų1355.3 Ų55.37%0.06728%0.281CS..EExtended strand (participates in β ladder)trans-94.5125.3173.5-59.7179.8000108.3Y203 S204 A206 W217 M271 F278 V279Y203-I289 CarbonylContact C-O 3.48Å; Y203-I289 WeakPolarHBondContact CA-O 3.32Å; Y203-I289 WeakPolarHBondContact CB-O 3.21Å; S204-I289 PolarHBondContact N-O 3.38Å; S204-I289 PolarHBondContact O-N 2.95Å; A206-I289 HydrophobicContact CB-CD1 4.45Å; W217-I289 HydrophobicContact CH2-CG2 3.93Å; M271-I289 HydrophobicContact CG-CG2 3.99Å; M271-I289 HydrophobicContact SD-CG2 4.29Å; F278-I289 CarbonylContact O-C 3.52Å; F278-I289 WeakPolarHBondContact O-CA 3.31Å; V279-I289 HydrophobicContact CG2-CG1 4.39Å
290F95.2Very high91.6Very high0 Ų057.9 Ų57.90%030%0.299CS..EExtended strand (participates in β ladder)trans-105.3144.4173.5-73.2-86.4000111.3L201 Y203 L222 L242 T277 F278 L280 I288L201-F290 HydrophobicContact CB-CD1 4.14Å; L201-F290 HydrophobicContact CD1-CB 4.49Å; L201-F290 HydrophobicContact CD1-CD1 3.89Å; L201-F290 HydrophobicContact CD1-CG 4.47Å; Y203-F290 HydrophobicContact CG-CE1 4.32Å; L222-F290 HydrophobicContact CB-CE1 4.22Å; L222-F290 HydrophobicContact CD1-CE1 4.11Å; L222-F290 HydrophobicContact CD1-CZ 3.78Å; L222-F290 HydrophobicContact CD2-CD1 4.25Å; L222-F290 HydrophobicContact CD2-CE1 3.98Å; L222-F290 HydrophobicContact CD2-CE2 4.39Å; L222-F290 HydrophobicContact CD2-CZ 4.04Å; L222-F290 HydrophobicContact CG-CE1 4.34Å; L222-F290 HydrophobicContact CG-CZ 4.41Å; L242-F290 HydrophobicContact CD1-CE1 3.78Å; L242-F290 HydrophobicContact CD1-CZ 4.05Å; L242-F290 HydrophobicContact CD2-CE1 4.42Å; L242-F290 HydrophobicContact CD2-CZ 4.03Å; T277-F290 CarbonylContact C-O 3.54Å; T277-F290 WeakPolarHBondContact CA-O 3.42Å; T277-F290 WeakPolarHBondContact CB-O 3.48Å; F278-F290 HydrophobicContact CD1-CB 3.85Å; F278-F290 HydrophobicContact CD2-CB 4.22Å; F278-F290 HydrophobicContact CD2-CD2 4.18Å; F278-F290 HydrophobicContact CE1-CB 3.49Å; F278-F290 VanDerWaalsContact CE1-CB 3.49Å; F278-F290 HydrophobicContact CE1-CG 4.18Å; F278-F290 HydrophobicContact CE2-CB 3.88Å; F278-F290 AromaticContact CE2-CD2 3.52Å; F278-F290 HydrophobicContact CE2-CD2 3.52Å; F278-F290 HydrophobicContact CE2-CE2 4.35Å; F278-F290 AromaticContact CE2-CG 3.91Å; F278-F290 HydrophobicContact CE2-CG 3.91Å; F278-F290 HydrophobicContact CG-CB 4.21Å; F278-F290 HydrophobicContact CZ-CB 3.5Å; F278-F290 HydrophobicContact CZ-CD1 4.5Å; F278-F290 AromaticContact CZ-CD2 3.79Å; F278-F290 HydrophobicContact CZ-CD2 3.79Å; F278-F290 AromaticContact CZ-CG 3.68Å; F278-F290 HydrophobicContact CZ-CG 3.68Å; F278-F290 PolarHBondContact N-O 2.94Å; F278-F290 PolarHBondContact O-N 3.48Å; L280-F290 HydrophobicContact CB-CD2 4.26Å; L280-F290 HydrophobicContact CB-CE2 4.05Å; L280-F290 HydrophobicContact CD2-CE2 3.81Å; I288-F290 HydrophobicContact CB-CE2 3.94Å; I288-F290 HydrophobicContact CG2-CD2 3.99Å; I288-F290 HydrophobicContact CG2-CE1 4.47Å; I288-F290 HydrophobicContact CG2-CE2 3.43Å; I288-F290 VanDerWaalsContact CG2-CE2 3.43Å; I288-F290 HydrophobicContact CG2-CZ 3.71Å
291E94.8Very high91.6Very high32 Ų3258 Ų5815%0.1530%0.299CS..EExtended strand (participates in β ladder)trans-113.2130.1170.3159.2179.2155.300109.2R202 W217 N274 T277R202-E291 HydrophobicContact CB-CB 3.81Å; R202-E291 HydrophobicContact CB-CG 3.99Å; R202-E291 VanDerWaalsContact CD-OE1 3.3Å; R202-E291 WeakPolarHBondContact CD-OE1 3.46Å; R202-E291 VanDerWaalsContact CZ-CD 3.43Å; R202-E291 IonicContact CZ-OE1 2.79Å; R202-E291 VanDerWaalsContact CZ-OE1 3.26Å; R202-E291 IonicContact CZ-OE2 3.79Å; R202-E291 PolarHBondContact N-O 3.14Å; R202-E291 IonicContact NE-OE1 3.37Å; R202-E291 PolarHBondContact NE-OE1 2.88Å; R202-E291 IonicContact NE-OE2 3.84Å; R202-E291 PolarHBondContact NE-OE2 3.48Å; R202-E291 IonicContact NH1-OE1 3.69Å; R202-E291 PolarHBondContact NH1-OE1 3.45Å; R202-E291 IonicContact NH1-OE2 2.79Å; R202-E291 PolarHBondContact NH1-OE2 3.03Å; R202-E291 IonicContact NH2-OE2 3.93Å; R202-E291 PolarHBondContact NH2-OE2 2.73Å; R202-E291 PolarHBondContact O-N 3.28Å; W217-E291 HydrophobicContact CE3-CB 4.39Å; W217-E291 HydrophobicContact CH2-CB 4.08Å; W217-E291 HydrophobicContact CZ3-CB 3.71Å; N274-E291 VanDerWaalsContact ND2-CG 3.32Å; N274-E291 WeakPolarHBondContact ND2-CG 3.38Å; N274-E291 PolarHBondContact ND2-OE2 3.01Å; T277-E291 HydrophobicContact CG2-CB 4.12Å
292V94.6Very high91.6Very high7 Ų756.3 Ų56.34%0.04229%0.292CS..  trans-118.4167.5176.3-52.50000110.5L201 Y276 F278 D294 Q297 L298L201-V292 HydrophobicContact CD1-CG1 4.12Å; L201-V292 HydrophobicContact CD2-CB 4.45Å; L201-V292 HydrophobicContact CD2-CG1 3.94Å; Y276-V292 WeakPolarHBondContact O-CG2 3.45Å; Y276-V292 PolarHBondContact O-N 3.44Å; F278-V292 HydrophobicContact CD1-CG1 4.25Å; F278-V292 HydrophobicContact CE1-CG1 3.84Å; V292-D294 WeakPolarHBondContact CG2-O 3.28Å; V292-Q297 HydrophobicContact CB-CB 3.96Å; V292-Q297 HydrophobicContact CG2-CB 4.04Å; V292-L298 HydrophobicContact CG2-CB 3.75Å; V292-L298 HydrophobicContact CG2-CD1 4.27Å
293G87.8Confident91.6Very high56 Ų5658.9 Ų58.958%0.57731%0.314SS*.SBendtrans-75.9-29.9-173.500000115.4
294D91.2Very high91.8Very high54 Ų5455.2 Ų55.229%0.28930%0.299SS..SBendtrans-157.9171.9-170.263.171000112.5V292 Q296 Q297 L298V292-D294 WeakPolarHBondContact CG2-O 3.28Å; D294-Q296 VanDerWaalsContact C-N 3.34Å; D294-Q296 PolarHBondContact O-N 3.33Å; D294-Q296 WeakPolarHBondContact OD1-CA 3.22Å; D294-Q296 VanDerWaalsContact OD1-CB 3.32Å; D294-Q296 WeakPolarHBondContact OD1-CB 3.28Å; D294-Q296 PolarHBondContact OD1-N 3.31Å; D294-Q297 PolarHBondContact OD1-N 2.76Å; D294-Q297 VanDerWaalsContact OD2-CD 3.25Å; D294-Q297 WeakPolarHBondContact OD2-CG 3.2Å; D294-Q297 PolarHBondContact OD2-NE2 2.89Å; D294-L298 PolarHBondContact O-N 2.83Å
295E91.4Very high92Very high110 Ų11048.6 Ų48.651%0.51426%0.263SS..Hα-helixtrans-67.1-29.3-179.4-176.4167.2-162.400113.8Y276 L298 N299Y276-E295 HydrophobicContact CD1-CB 4.21Å; Y276-E295 HydrophobicContact CE1-CB 3.78Å; E295-L298 PolarHBondContact O-N 2.89Å; E295-N299 WeakPolarHBondContact CG-ND2 3.31Å; E295-N299 VanDerWaalsContact O-CB 3.29Å; E295-N299 WeakPolarHBondContact O-CB 3.48Å; E295-N299 PolarHBondContact O-N 2.91Å; E295-N299 PolarHBondContact O-ND2 3.35Å
296Q92.7Very high92.2Very high164 Ų16447.9 Ų47.977%0.76626%0.261SS*.Hα-helixtrans-71.9-43.8179.2-58-176.6-4.100110.1D294 L298 N299 S300D294-Q296 VanDerWaalsContact C-N 3.34Å; D294-Q296 PolarHBondContact O-N 3.33Å; D294-Q296 WeakPolarHBondContact OD1-CA 3.22Å; D294-Q296 VanDerWaalsContact OD1-CB 3.32Å; D294-Q296 WeakPolarHBondContact OD1-CB 3.28Å; D294-Q296 PolarHBondContact OD1-N 3.31Å; Q296-L298 VanDerWaalsContact C-N 3.31Å; Q296-L298 PolarHBondContact O-N 2.87Å; Q296-N299 PolarHBondContact O-N 3.45Å; Q296-S300 WeakPolarHBondContact O-CB 3.46Å; Q296-S300 PolarHBondContact O-N 3.4Å
297Q92.8Very high92.1Very high77 Ų7750 Ų5036%0.3627%0.265SS..Hα-helixtrans-57.8-44.1169.5-69.2178.332.200111.2V292 D294 W301V292-Q297 HydrophobicContact CB-CB 3.96Å; V292-Q297 HydrophobicContact CG2-CB 4.04Å; D294-Q297 PolarHBondContact OD1-N 2.76Å; D294-Q297 VanDerWaalsContact OD2-CD 3.25Å; D294-Q297 WeakPolarHBondContact OD2-CG 3.2Å; D294-Q297 PolarHBondContact OD2-NE2 2.89Å; Q297-W301 WeakPolarHBondContact O-CB 3.4Å; Q297-W301 VanDerWaalsContact O-CD1 3.29Å; Q297-W301 PolarHBondContact O-N 2.87Å
298L93.6Very high91.7Very high4 Ų448.4 Ų48.42%0.02126%0.258CS..Hα-helixtrans-60.8-55.7178.8-177.967.9000110.5R265 F278 V292 D294 E295 Q296 S300 W301 M302R265-L298 HydrophobicContact CG-CD2 4.04Å; R265-L298 HydrophobicContact CG-CG 4.47Å; F278-L298 HydrophobicContact CB-CD1 3.97Å; F278-L298 HydrophobicContact CD1-CD1 3.91Å; F278-L298 HydrophobicContact CG-CD1 4.43Å; V292-L298 HydrophobicContact CG2-CB 3.75Å; V292-L298 HydrophobicContact CG2-CD1 4.27Å; D294-L298 PolarHBondContact O-N 2.83Å; E295-L298 PolarHBondContact O-N 2.89Å; Q296-L298 VanDerWaalsContact C-N 3.31Å; Q296-L298 PolarHBondContact O-N 2.87Å; L298-S300 VanDerWaalsContact C-N 3.28Å; L298-S300 PolarHBondContact O-N 3.24Å; L298-W301 PolarHBondContact O-N 2.86Å; L298-M302 HydrophobicContact CD1-CG 4.29Å; L298-M302 HydrophobicContact CG-CG 4.33Å; L298-M302 WeakPolarHBondContact O-CB 3.44Å; L298-M302 WeakPolarHBondContact O-CG 3.35Å; L298-M302 PolarHBondContact O-N 3.43Å
299N93.3Very high91.1Very high58 Ų5849.8 Ų49.831%0.3127%0.267SS..Hα-helixtrans-63.1-37.3-176.8-67.8-14.3000111.4R265 E295 Q296 A303R265-N299 PolarHBondContact NH2-OD1 3.48Å; E295-N299 WeakPolarHBondContact CG-ND2 3.31Å; E295-N299 VanDerWaalsContact O-CB 3.29Å; E295-N299 WeakPolarHBondContact O-CB 3.48Å; E295-N299 PolarHBondContact O-N 2.91Å; E295-N299 PolarHBondContact O-ND2 3.35Å; Q296-N299 PolarHBondContact O-N 3.45Å; N299-A303 WeakPolarHBondContact O-CB 3.33Å; N299-A303 PolarHBondContact O-N 3.3Å
300S94.7Very high89.6Confident57 Ų5752 Ų5240%0.39929%0.294SS..Hα-helixtrans-68.7-44.8176-174.50000112.3K197 Q296 L298 A303 E304K197-S300 PolarHBondContact NZ-O 3.47Å; K197-S300 PolarHBondContact NZ-OG 2.86Å; Q296-S300 WeakPolarHBondContact O-CB 3.46Å; Q296-S300 PolarHBondContact O-N 3.4Å; L298-S300 VanDerWaalsContact C-N 3.28Å; L298-S300 PolarHBondContact O-N 3.24Å; S300-A303 PolarHBondContact O-N 3.35Å; S300-E304 PolarHBondContact O-N 2.9Å
301W94.6Very high87.7Confident4 Ų463 Ų632%0.01534%0.335CS..Hα-helixtrans-64.4-41.6174.1-88111000111.8K197 A199 L201 L222 F278 Q297 L298 A303 L305K197-W301 HydrophobicContact CB-CH2 4.26Å; K197-W301 HydrophobicContact CB-CZ3 4.5Å; K197-W301 HydrophobicContact CD-CD2 4.12Å; K197-W301 HydrophobicContact CD-CE3 4.17Å; K197-W301 HydrophobicContact CD-CH2 4.22Å; K197-W301 HydrophobicContact CD-CZ2 4.17Å; K197-W301 HydrophobicContact CD-CZ3 4.22Å; K197-W301 HydrophobicContact CG-CH2 3.75Å; K197-W301 HydrophobicContact CG-CZ2 3.74Å; K197-W301 HydrophobicContact CG-CZ3 4.18Å; A199-W301 HydrophobicContact CB-CZ2 3.73Å; L201-W301 HydrophobicContact CD1-CZ2 4.37Å; L222-W301 HydrophobicContact CB-CH2 4.02Å; L222-W301 HydrophobicContact CB-CZ2 4.33Å; L222-W301 HydrophobicContact CD2-CD2 4.39Å; L222-W301 HydrophobicContact CD2-CE3 3.92Å; L222-W301 HydrophobicContact CD2-CH2 3.89Å; L222-W301 HydrophobicContact CD2-CZ2 4.35Å; L222-W301 HydrophobicContact CD2-CZ3 3.66Å; L222-W301 HydrophobicContact CG-CH2 3.82Å; L222-W301 HydrophobicContact CG-CZ2 4.49Å; L222-W301 HydrophobicContact CG-CZ3 3.9Å; L222-W301 WeakPolarHBondContact O-CH2 3.35Å; F278-W301 HydrophobicContact CE1-CB 3.95Å; F278-W301 HydrophobicContact CE1-CG 4.26Å; F278-W301 HydrophobicContact CZ-CB 4.24Å; F278-W301 HydrophobicContact CZ-CG 4.46Å; Q297-W301 WeakPolarHBondContact O-CB 3.4Å; Q297-W301 VanDerWaalsContact O-CD1 3.29Å; Q297-W301 PolarHBondContact O-N 2.87Å; L298-W301 PolarHBondContact O-N 2.86Å; W301-A303 VanDerWaalsContact C-N 3.34Å; W301-A303 PolarHBondContact O-N 3.2Å; W301-L305 HydrophobicContact CE3-CD1 4.21Å; W301-L305 HydrophobicContact CE3-CG 4.3Å; W301-L305 WeakPolarHBondContact O-CB 3.46Å; W301-L305 VanDerWaalsContact O-CG 3.29Å; W301-L305 WeakPolarHBondContact O-CG 3.42Å; W301-L305 PolarHBondContact O-N 2.63Å; W301-L305 VanDerWaalsContact O-N 3.08Å
302M93.3Very high85.2Confident8 Ų865 Ų654%0.03936%0.364CS..Hα-helixtrans-60.1-39.6175.4-77.3-63.2-48.700112.8V263 R265 F278 L298 R306V263-M302 HydrophobicContact CG1-CE 4.06Å; V263-M302 HydrophobicContact CG1-SD 3.9Å; V263-M302 WeakPolarHBondContact O-CE 3.49Å; R265-M302 HydrophobicContact CG-CG 4.47Å; R265-M302 HydrophobicContact CG-SD 4.41Å; F278-M302 HydrophobicContact CB-SD 3.71Å; F278-M302 HydrophobicContact CG-SD 4.3Å; L298-M302 HydrophobicContact CD1-CG 4.29Å; L298-M302 HydrophobicContact CG-CG 4.33Å; L298-M302 WeakPolarHBondContact O-CB 3.44Å; L298-M302 WeakPolarHBondContact O-CG 3.35Å; L298-M302 PolarHBondContact O-N 3.43Å; M302-R306 VanDerWaalsContact CE-NE 3.32Å; M302-R306 WeakPolarHBondContact O-CB 3.45Å; M302-R306 VanDerWaalsContact O-CD 3.29Å; M302-R306 WeakPolarHBondContact O-CD 3.39Å; M302-R306 WeakPolarHBondContact O-CG 3.29Å; M302-R306 PolarHBondContact O-N 2.85Å
303A90.9Very high82.6Confident61 Ų6172.3 Ų72.350%0.50440%0.402SS..Hα-helixtrans-67.9-53.6-179.800000112N299 S300 W301 R306 E307N299-A303 WeakPolarHBondContact O-CB 3.33Å; N299-A303 PolarHBondContact O-N 3.3Å; S300-A303 PolarHBondContact O-N 3.35Å; W301-A303 VanDerWaalsContact C-N 3.34Å; W301-A303 PolarHBondContact O-N 3.2Å; A303-R306 PolarHBondContact O-N 2.87Å; A303-E307 PolarHBondContact O-N 3.16Å
304E91.3Very high80.1Confident38 Ų3879 Ų7918%0.17842%0.418CS..Hα-helixtrans-62.1-48179.5-91.4164.386.100112.3K197 L224 S300 R306 E307 C308K197-E304 VanDerWaalsContact CB-OE1 3.23Å; K197-E304 WeakPolarHBondContact CB-OE1 3.36Å; K197-E304 WeakPolarHBondContact CD-OE1 3.43Å; K197-E304 WeakPolarHBondContact CD-OE2 3.24Å; K197-E304 WeakPolarHBondContact CE-OE2 3.35Å; K197-E304 IonicContact NZ-OE2 2.71Å; K197-E304 PolarHBondContact NZ-OE2 2.89Å; L224-E304 HydrophobicContact CD2-CB 4.04Å; L224-E304 HydrophobicContact CD2-CG 4.46Å; S300-E304 PolarHBondContact O-N 2.9Å; E304-R306 PolarHBondContact O-N 2.89Å; E304-R306 VanDerWaalsContact O-N 3.13Å; E304-E307 WeakPolarHBondContact O-CB 3.48Å; E304-E307 PolarHBondContact O-N 3.2Å; E304-E307 VanDerWaalsContact O-N 3.13Å; E304-C308 PolarHBondContact O-N 2.93Å; E304-C308 PolarHBondContact O-SG 2.86Å
305L90.9Very high77.3Confident0 Ų082.5 Ų82.50%045%0.447CS..Hα-helixtrans-60.9-27.7-179.9-69.9171.7000112.2L240 V263 F278 W301 T309L240-L305 HydrophobicContact CD1-CD2 3.67Å; L240-L305 HydrophobicContact CD2-CD2 3.84Å; L240-L305 HydrophobicContact CG-CD2 4.4Å; V263-L305 HydrophobicContact CG1-CB 3.88Å; V263-L305 HydrophobicContact CG1-CD1 4.14Å; V263-L305 HydrophobicContact CG2-CB 4.12Å; F278-L305 HydrophobicContact CD2-CD1 4.34Å; F278-L305 HydrophobicContact CE2-CD1 3.55Å; F278-L305 HydrophobicContact CZ-CD1 3.94Å; W301-L305 HydrophobicContact CE3-CD1 4.21Å; W301-L305 HydrophobicContact CE3-CG 4.3Å; W301-L305 WeakPolarHBondContact O-CB 3.46Å; W301-L305 VanDerWaalsContact O-CG 3.29Å; W301-L305 WeakPolarHBondContact O-CG 3.42Å; W301-L305 PolarHBondContact O-N 2.63Å; W301-L305 VanDerWaalsContact O-N 3.08Å; L305-T309 WeakPolarHBondContact O-CG2 3.35Å
306R89.1Confident74.5Confident136 Ų13683.4 Ų83.451%0.51346%0.46SS..Hα-helixtrans-76.9-44.5173.1-76.8172.1171.9-103.9-6.8112.9V263 M302 A303 E304 C308 T309V263-R306 HydrophobicContact CB-CG 4.48Å; V263-R306 PolarHBondContact O-NE 2.99Å; V263-R306 PolarHBondContact O-NH2 2.98Å; M302-R306 VanDerWaalsContact CE-NE 3.32Å; M302-R306 WeakPolarHBondContact O-CB 3.45Å; M302-R306 VanDerWaalsContact O-CD 3.29Å; M302-R306 WeakPolarHBondContact O-CD 3.39Å; M302-R306 WeakPolarHBondContact O-CG 3.29Å; M302-R306 PolarHBondContact O-N 2.85Å; A303-R306 PolarHBondContact O-N 2.87Å; E304-R306 PolarHBondContact O-N 2.89Å; E304-R306 VanDerWaalsContact O-N 3.13Å; R306-C308 PolarHBondContact O-N 2.79Å; R306-T309 PolarHBondContact O-N 3.25Å; R306-T309 PolarHBondContact O-OG1 3.31Å
307E85.4Confident71.4Confident116 Ų11683.6 Ų83.654%0.54246%0.461SS..Hα-helixtrans-52.4-42.3171.9-167.5-154.7169.600110.6R238 A303 E304 T309 G310R238-E307 IonicContact CZ-OE1 2.68Å; R238-E307 IonicContact CZ-OE2 3.05Å; R238-E307 IonicContact NH1-OE1 3.29Å; R238-E307 PolarHBondContact NH1-OE1 2.85Å; R238-E307 IonicContact NH1-OE2 3.26Å; R238-E307 PolarHBondContact NH1-OE2 3.21Å; R238-E307 VanDerWaalsContact NH2-CD 3.29Å; R238-E307 IonicContact NH2-OE1 3.33Å; R238-E307 PolarHBondContact NH2-OE1 2.8Å; R238-E307 IonicContact NH2-OE2 2.69Å; A303-E307 PolarHBondContact O-N 3.16Å; E304-E307 WeakPolarHBondContact O-CB 3.48Å; E304-E307 PolarHBondContact O-N 3.2Å; E304-E307 VanDerWaalsContact O-N 3.13Å; E307-T309 PolarHBondContact O-N 3.3Å; E307-G310 PolarHBondContact O-N 2.9Å
308C81.1Confident68.3Low14 Ų1485.3 Ų85.310%0.09549%0.488CS..THydrogen-bonded Turntrans-69.2-15179-56.80000114.7L224 R238 C257 E304 R306 G310L224-C308 VanDerWaalsContact CD2-SG 3.5Å; R238-C308 HydrophobicContact CB-CB 4.45Å; R238-C308 WeakPolarHBondContact CD-SG 3.25Å; R238-C308 PolarHBondContact NH1-SG 3.01Å; C257-C308 HydrophobicContact CB-CB 3.55Å; C257-C308 WeakPolarHBondContact CB-O 3.21Å; E304-C308 PolarHBondContact O-N 2.93Å; E304-C308 PolarHBondContact O-SG 2.86Å; R306-C308 PolarHBondContact O-N 2.79Å; C308-G310 VanDerWaalsContact C-N 3.34Å
309T81.3Confident65.2Low36 Ų3691.2 Ų91.222%0.22152%0.516CS..THydrogen-bonded Turntrans-86.20.717753.80000114.1I260 V263 L305 R306 E307 R311I260-T309 HydrophobicContact CB-CG2 3.81Å; I260-T309 HydrophobicContact CG2-CG2 3.85Å; V263-T309 HydrophobicContact CG2-CG2 4.48Å; L305-T309 WeakPolarHBondContact O-CG2 3.35Å; R306-T309 PolarHBondContact O-N 3.25Å; R306-T309 PolarHBondContact O-OG1 3.31Å; E307-T309 PolarHBondContact O-N 3.3Å; T309-R311 PolarHBondContact O-N 3.44Å
310G61.9Low62.1Low61 Ų6196.1 Ų96.163%0.62954%0.538SS*.SBendtrans69.6-15.5174.400000116.2E307 C308 G312E307-G310 PolarHBondContact O-N 2.9Å; C308-G310 VanDerWaalsContact C-N 3.34Å; G310-G312 PolarHBondContact O-N 3.06Å
311R55.8Low58.7Low230 Ų230101.1 Ų101.187%0.86856%0.555SS**THydrogen-bonded Turntrans-73.845.5179.8-61-172.3-178.6-77.6-0.1113.8T309T309-R311 PolarHBondContact O-N 3.44Å
312G41Very low55.9Low73 Ų73106.8 Ų106.875%0.75359%0.585SS**THydrogen-bonded Turntrans-130.5-3.4-179.200000115.2G310G310-G312 PolarHBondContact O-N 3.06Å
313L39.6Very low53Low162 Ų162112.2 Ų112.285%0.84862%0.621SS**SBendtrans-141.945.7-171.9-159.676.2000114.1
314E36.8Very low50Low196 Ų196114.6 Ų114.692%0.91663%0.633SS**  trans-162.4105.9160.8-121.4-178.8171.900111.4
315S30.8Very low46.8Very low127 Ų127117 Ų11789%0.88866%0.66SS**  trans-170.257.6161.5-161.50000111
316T32.8Very low43.9Very low129 Ų129124.7 Ų124.779%0.79170%0.7SS**  trans-109120.8170.7-57.70000108.6
317E27.6Very low41.1Very low168 Ų168125.4 Ų125.479%0.78571%0.709SS**  trans61.9106.9151.9-156.8173.913400118.8E319E317-E319 HydrophobicContact CG-CB 4.47Å
318A29.1Very low38.8Very low113 Ų113125 Ų12593%0.93472%0.716SS**  trans-134.171.3154.100000108.1
319E28.2Very low36.2Very low129 Ų129128.9 Ų128.960%0.60374%0.744SS**  trans-92.1132.5-178.4-161.4-165.7150.200111.6E317E317-E319 HydrophobicContact CG-CB 4.47Å
320M27.6Very low33.7Very low160 Ų160133.9 Ų133.979%0.78878%0.775SS**  trans-175.7130.9156.1-103.3172.1-166.800107.9
321H24.3Very low32.1Very low162 Ų162136.6 Ų136.675%0.7578%0.784SS**  cis-138.8142.76-85.1-84.9000112.2
322I35.1Very low30.7Very low124 Ų124130.8 Ų130.864%0.63678%0.779SS**  trans-95.9160149.6-29.6178.1000107.9
323P33.3Very low30.2Very low122 Ų122132.7 Ų132.779%0.79278%0.78SS**  -149.8173100.438.8-23.3000114.6
324S27.1Very low30.8Very low110 Ų110130.4 Ų130.477%0.76978%0.776SS**  cis177.9140.6-32179.20000107.9
325A25Very low30.5Very low89 Ų89133 Ų13374%0.73678%0.777SS**  trans-162.9105.9166.500000114.9
326L29.1Very low30.2Very low162 Ų162130.5 Ų130.585%0.84877%0.771SS**  trans64.389.9143.1-61.7161.8000120.8
327E29.8Very low30Very low150 Ų150129.5 Ų129.570%0.70177%0.769SS**  32.3159.6101.3-71.2-55.1117.900121.8
328P37.8Very low30.1Very low107 Ų107127.2 Ų127.270%0.69577%0.767SS**  cis-140.6142.7-2.527.6-3.6000119.1
329S26.4Very low30Very low97 Ų97128.8 Ų128.868%0.67876%0.76SS**  59.5161.4127.9-65.90000126.3
330T28.9Very low30Very low141 Ų141127 Ų12787%0.86576%0.761SS**  trans86.1133.9169.972.40000117.5
331S27.6Very low30Very low117 Ų117126.7 Ų126.782%0.81876%0.762SS**  cis-151.3-179.6-356.80000113.4
332S27.1Very low30.4Very low109 Ų109126.3 Ų126.376%0.76277%0.765SS**  trans-70.2173.3-177.759.50000114
333S30.9Very low30.2Very low112 Ų112128 Ų12878%0.78377%0.771SS**  cis-160-172.426.9-127.70000111.2
334P52.5Low30.2Very low115 Ų115125.8 Ų125.875%0.74777%0.77SS**  trans-117.7-172-148.545.3-40000118
335R29.6Very low30.4Very low251 Ų251125.1 Ų125.195%0.94777%0.771SS**  trans85.9114.4149.5-170.2-169.3-172.2-153.94.7118.3
336G24.3Very low30.8Very low73 Ų73126.7 Ų126.775%0.75378%0.777SS**  trans173.4114.9160.400000118.1
337S28.1Very low31.7Very low108 Ų108125.3 Ų125.376%0.75578%0.777SS**  trans59.3115.6141.4-130.60000123.8
338T30.6Very low31.7Very low121 Ų121122.2 Ų122.274%0.74279%0.786SS**  53.1126.6125.261.10000123.4
339D26.5Very low31.4Very low146 Ų146119.1 Ų119.178%0.78177%0.773SS**  trans104.7141.6131.6-130.4-43.9000120.7
340S27.8Very low32Very low91 Ų91118.2 Ų118.264%0.63676%0.76SS**  trans79.9126.6145.3-82.40000124.1
341L28.2Very low32.6Very low154 Ų154114.4 Ų114.481%0.80673%0.734SS**  trans68.1106148.1-86.273.1000121.1
342N32.3Very low33.4Very low153 Ų153113 Ų11382%0.81872%0.718SS**  trans-21.1128.8145.5-81.8-46.8000116.8
343Q32.2Very low34.4Very low161 Ų161112.4 Ų112.475%0.75271%0.711SS**  -161125.5128.8-102.3154.6112.600107.8
344G33.5Very low35.3Very low75 Ų75109.2 Ų109.277%0.77369%0.691SS**  cis129.260.7-4.800000113.9
345A30.3Very low35.3Very low96 Ų96104.1 Ų104.179%0.79366%0.658SS**  trans-161.2113.7167.200000113.6
346S34.4Very low36.7Very low122 Ų12295.4 Ų95.485%0.85363%0.629SS**  -171147119.7-82.20000111.6
347P46.9Very low38.5Very low132 Ų132100 Ų10086%0.85763%0.628SS**  trans-104.4163.6-164.639.8-34.4000114.2
348G29.6Very low40.7Very low86 Ų8696 Ų9689%0.88760%0.599SS**  trans-170.647.5179.900000115.7
349G31Very low42.8Very low41 Ų4191.2 Ų91.242%0.42357%0.569SS.*  trans-118.993.3-179.400000113R268 L351R268-G349 PolarHBondContact NH1-O 3.34Å; R268-G349 VanDerWaalsContact NH1-O 3.09Å; G349-L351 PolarHBondContact O-N 3.27Å
350L39.6Very low45Very low79 Ų7990.9 Ų90.941%0.41456%0.562SS.*PPolyproline II helixtrans-48.1126.7-174.6-157.179.6000112.9R268 L269R268-L350 HydrophobicContact CB-CB 4.3Å; R268-L350 WeakPolarHBondContact CB-O 3.36Å; R268-L350 VanDerWaalsContact CD-O 3.27Å; R268-L350 WeakPolarHBondContact CD-O 3.36Å; R268-L350 PolarHBondContact NE-O 3.13Å; R268-L350 PolarHBondContact NH1-O 2.57Å; R268-L350 VanDerWaalsContact NH1-O 3.11Å; L269-L350 HydrophobicContact CD1-CD2 3.94Å; L269-L350 HydrophobicContact CD2-CD2 3.53Å; L269-L350 HydrophobicContact CG-CD2 3.55Å
351L41.2Very low47.4Very low60 Ų6090.3 Ų90.331%0.31455%0.548SS..PPolyproline II helixtrans-97173.3179.1-82.6159.2000110.4G349 Q356G349-L351 PolarHBondContact O-N 3.27Å; L351-Q356 HydrophobicContact CB-CG 3.34Å; L351-Q356 PolarHBondContact O-NE2 2.9Å
352D44.5Very low50Low88 Ų8883.1 Ų83.147%0.47151%0.51SS..PPolyproline II helixtrans-54.3131.3170.4157.453.1000110.6A354 C355 Q356D352-A354 VanDerWaalsContact C-N 3.27Å; D352-A354 PolarHBondContact O-N 2.95Å; D352-A354 PolarHBondContact OD1-N 3.13Å; D352-C355 HydrophobicContact CB-CB 3.98Å; D352-C355 PolarHBondContact O-N 2.85Å; D352-C355 VanDerWaalsContact OD2-CB 3.27Å; D352-C355 WeakPolarHBondContact OD2-CB 3.42Å; D352-C355 PolarHBondContact OD2-N 3.33Å; D352-Q356 WeakPolarHBondContact O-CG 3.22Å; D352-Q356 PolarHBondContact O-N 3.29Å
353P48.8Very low52.3Low97 Ų9779.3 Ų79.363%0.6350%0.496SS*.Hα-helixtrans-56.8-34.1-177-28.136.1000115K357P353-K357 WeakPolarHBondContact O-CB 3.33Å; P353-K357 PolarHBondContact O-N 3.14Å
354A49.6Very low54.5Low44 Ų4476.2 Ų76.236%0.36449%0.491SS..Hα-helixtrans-70.1-49.8176.500000110.9D352 Q356 K357 T358D352-A354 VanDerWaalsContact C-N 3.27Å; D352-A354 PolarHBondContact O-N 2.95Å; D352-A354 PolarHBondContact OD1-N 3.13Å; A354-Q356 VanDerWaalsContact C-N 3.33Å; A354-Q356 PolarHBondContact O-N 3.49Å; A354-K357 WeakPolarHBondContact O-CB 3.38Å; A354-K357 PolarHBondContact O-N 3.13Å; A354-K357 VanDerWaalsContact O-N 3.12Å; A354-T358 PolarHBondContact O-N 2.95Å; A354-T358 VanDerWaalsContact O-N 3.1Å; A354-T358 PolarHBondContact O-OG1 3.21Å
355C52Low56.7Low8 Ų874 Ų745%0.05446%0.459CS..Hα-helixtrans-59-39.5174.7-1660000112.6D352 K357 T358 D359 Q396D352-C355 HydrophobicContact CB-CB 3.98Å; D352-C355 PolarHBondContact O-N 2.85Å; D352-C355 VanDerWaalsContact OD2-CB 3.27Å; D352-C355 WeakPolarHBondContact OD2-CB 3.42Å; D352-C355 PolarHBondContact OD2-N 3.33Å; C355-K357 VanDerWaalsContact C-N 3.32Å; C355-K357 PolarHBondContact O-N 3.37Å; C355-T358 WeakPolarHBondContact CA-OG1 3.37Å; C355-T358 PolarHBondContact O-N 3.38Å; C355-T358 PolarHBondContact O-OG1 3.07Å; C355-D359 VanDerWaalsContact O-CB 3.24Å; C355-D359 WeakPolarHBondContact O-CB 3.31Å; C355-D359 PolarHBondContact O-N 2.85Å; C355-D359 VanDerWaalsContact O-OD2 3.13Å; C355-D359 PolarHBondContact SG-OD2 3.47Å; C355-Q396 PolarHBondContact SG-NE2 3.46Å
356Q59.1Low59.1Low69 Ų6972.6 Ų72.632%0.32244%0.442SS..Hα-helixtrans-61.8-39.9174.5-76.2-171.5110.600112.1L351 D352 A354 H360L351-Q356 HydrophobicContact CB-CG 3.34Å; L351-Q356 PolarHBondContact O-NE2 2.9Å; D352-Q356 WeakPolarHBondContact O-CG 3.22Å; D352-Q356 PolarHBondContact O-N 3.29Å; A354-Q356 VanDerWaalsContact C-N 3.33Å; A354-Q356 PolarHBondContact O-N 3.49Å; Q356-H360 WeakPolarHBondContact O-CB 3.3Å; Q356-H360 PolarHBondContact O-N 3.18Å
357K63.3Low61.7Low169 Ų16966.9 Ų66.974%0.73540%0.402SS*.Hα-helixtrans-68-38.5179.9-164.5175-177.9-178.30111.5P353 A354 C355 F361P353-K357 WeakPolarHBondContact O-CB 3.33Å; P353-K357 PolarHBondContact O-N 3.14Å; A354-K357 WeakPolarHBondContact O-CB 3.38Å; A354-K357 PolarHBondContact O-N 3.13Å; A354-K357 VanDerWaalsContact O-N 3.12Å; C355-K357 VanDerWaalsContact C-N 3.32Å; C355-K357 PolarHBondContact O-N 3.37Å; K357-F361 WeakPolarHBondContact O-CB 3.47Å; K357-F361 PolarHBondContact O-N 3Å
358T73.6Confident63.9Low24 Ų2461.8 Ų61.815%0.14737%0.367CS..Hα-helixtrans-73.4-42173.151.40000112.6A354 C355 H360 F361 L362 Y404 L421A354-T358 PolarHBondContact O-N 2.95Å; A354-T358 VanDerWaalsContact O-N 3.1Å; A354-T358 PolarHBondContact O-OG1 3.21Å; C355-T358 WeakPolarHBondContact CA-OG1 3.37Å; C355-T358 PolarHBondContact O-N 3.38Å; C355-T358 PolarHBondContact O-OG1 3.07Å; T358-H360 PolarHBondContact O-N 3.12Å; T358-F361 PolarHBondContact O-N 3.36Å; T358-L362 WeakPolarHBondContact O-CB 3.05Å; T358-L362 WeakPolarHBondContact O-CG 3.27Å; T358-L362 PolarHBondContact O-N 3.09Å; T358-Y404 PolarHBondContact OG1-OH 2.98Å; T358-L421 HydrophobicContact CG2-CD1 4.36Å
359D74.3Confident66.7Low21 Ų2159.5 Ų59.511%0.11233%0.333CS..Hα-helixtrans-61.5-42.5176.7-72.8-30.2000111.7C355 L362 S363 Q396 Y404C355-D359 VanDerWaalsContact O-CB 3.24Å; C355-D359 WeakPolarHBondContact O-CB 3.31Å; C355-D359 PolarHBondContact O-N 2.85Å; C355-D359 VanDerWaalsContact O-OD2 3.13Å; C355-D359 PolarHBondContact SG-OD2 3.47Å; D359-L362 PolarHBondContact O-N 3.28Å; D359-S363 WeakPolarHBondContact O-CB 3.44Å; D359-S363 PolarHBondContact O-N 3.15Å; D359-Q396 VanDerWaalsContact CG-NE2 3.31Å; D359-Q396 PolarHBondContact OD1-NE2 2.89Å; D359-Q396 VanDerWaalsContact OD1-NE2 3.11Å; D359-Q396 PolarHBondContact OD2-NE2 3.47Å; D359-Y404 WeakPolarHBondContact OD1-CE1 3.38Å; D359-Y404 VanDerWaalsContact OD1-CZ 3.29Å; D359-Y404 PolarHBondContact OD1-OH 2.91Å
360H72.3Confident69.5Low138 Ų13858 Ų5864%0.63932%0.317SS*.Hα-helixtrans-65-47.4177.3-179.151.1000111.6Q356 T358 L362 S363Q356-H360 WeakPolarHBondContact O-CB 3.3Å; Q356-H360 PolarHBondContact O-N 3.18Å; T358-H360 PolarHBondContact O-N 3.12Å; H360-L362 PolarHBondContact O-N 2.97Å; H360-S363 WeakPolarHBondContact O-CB 3.3Å; H360-S363 PolarHBondContact O-N 3.43Å; H360-S363 PolarHBondContact O-OG 2.99Å
361F78.6Confident71.8Confident80 Ų8059.7 Ų59.735%0.35133%0.333SS..Hα-helixtrans-59.6-43.8174.5169.3-99.4000112.4K357 T358 S363 C364 Y365 W487K357-F361 WeakPolarHBondContact O-CB 3.47Å; K357-F361 PolarHBondContact O-N 3Å; T358-F361 PolarHBondContact O-N 3.36Å; F361-S363 VanDerWaalsContact C-N 3.3Å; F361-S363 PolarHBondContact O-N 3.43Å; F361-C364 WeakPolarHBondContact O-CB 3.33Å; F361-C364 PolarHBondContact O-N 3.44Å; F361-Y365 HydrophobicContact CD1-CE2 4.45Å; F361-Y365 AromaticContact CE1-CE2 3.83Å; F361-Y365 HydrophobicContact CE1-CE2 3.83Å; F361-Y365 AromaticContact CE2-CE2 3.98Å; F361-Y365 HydrophobicContact CE2-CE2 3.98Å; F361-Y365 AromaticContact CZ-CE2 3.55Å; F361-Y365 HydrophobicContact CZ-CE2 3.55Å; F361-Y365 AromaticContact CZ-CZ 3.86Å; F361-Y365 VanDerWaalsContact CZ-OH 3.3Å; F361-Y365 WeakPolarHBondContact CZ-OH 3.25Å; F361-W487 HydrophobicContact CE1-CH2 4.44Å; F361-W487 HydrophobicContact CE1-CZ2 4.45Å; F361-W487 HydrophobicContact CE2-CE3 4.33Å; F361-W487 AromaticContact CE2-CH2 3.53Å; F361-W487 HydrophobicContact CE2-CH2 3.53Å; F361-W487 HydrophobicContact CE2-CZ2 4.05Å; F361-W487 AromaticContact CE2-CZ3 3.69Å; F361-W487 HydrophobicContact CE2-CZ3 3.69Å; F361-W487 AromaticContact CZ-CH2 3.34Å; F361-W487 HydrophobicContact CZ-CH2 3.34Å; F361-W487 AromaticContact CZ-CZ2 3.44Å; F361-W487 HydrophobicContact CZ-CZ2 3.44Å; F361-W487 VanDerWaalsContact CZ-CZ2 3.44Å; F361-W487 AromaticContact CZ-CZ3 3.97Å; F361-W487 HydrophobicContact CZ-CZ3 3.97Å
362L82.4Confident74.1Confident2 Ų257.6 Ų57.61%0.0132%0.322CS..Hα-helixtrans-68.6-27.9177.8-68.8171.5000112.5T358 D359 H360 C364 Y365 W367 F368 Y404 L421 V437T358-L362 WeakPolarHBondContact O-CB 3.05Å; T358-L362 WeakPolarHBondContact O-CG 3.27Å; T358-L362 PolarHBondContact O-N 3.09Å; D359-L362 PolarHBondContact O-N 3.28Å; H360-L362 PolarHBondContact O-N 2.97Å; L362-C364 PolarHBondContact O-N 3.15Å; L362-C364 VanDerWaalsContact O-N 3.15Å; L362-Y365 PolarHBondContact O-N 3.12Å; L362-W367 HydrophobicContact CD2-CH2 3.74Å; L362-W367 HydrophobicContact CD2-CZ3 4.11Å; L362-F368 VanDerWaalsContact C-CD1 3.45Å; L362-F368 HydrophobicContact CB-CB 4.39Å; L362-F368 HydrophobicContact CB-CD1 3.73Å; L362-F368 HydrophobicContact CB-CD2 3.86Å; L362-F368 HydrophobicContact CB-CE1 3.79Å; L362-F368 HydrophobicContact CB-CE2 3.95Å; L362-F368 HydrophobicContact CB-CG 3.73Å; L362-F368 HydrophobicContact CB-CZ 3.89Å; L362-F368 HydrophobicContact CD1-CD2 4.26Å; L362-F368 HydrophobicContact CD1-CE2 3.91Å; L362-F368 HydrophobicContact CD1-CZ 4.28Å; L362-F368 VanDerWaalsContact O-CB 3.29Å; L362-F368 WeakPolarHBondContact O-CB 3.28Å; L362-F368 WeakPolarHBondContact O-CD1 3.44Å; L362-Y404 HydrophobicContact CD1-CD1 4.03Å; L362-Y404 HydrophobicContact CD1-CE1 3.65Å; L362-Y404 HydrophobicContact CD1-CE2 4.43Å; L362-L421 HydrophobicContact CD1-CD1 4.03Å; L362-V437 HydrophobicContact CD2-CB 4.3Å; L362-V437 HydrophobicContact CD2-CG2 4.06Å
363S81.8Confident76.4Confident73 Ų7355.8 Ų55.851%0.5132%0.316SS..Hα-helixtrans-63.8-15.5176.876.60000114.6D359 H360 F361 Y365D359-S363 WeakPolarHBondContact O-CB 3.44Å; D359-S363 PolarHBondContact O-N 3.15Å; H360-S363 WeakPolarHBondContact O-CB 3.3Å; H360-S363 PolarHBondContact O-N 3.43Å; H360-S363 PolarHBondContact O-OG 2.99Å; F361-S363 VanDerWaalsContact C-N 3.3Å; F361-S363 PolarHBondContact O-N 3.43Å; S363-Y365 PolarHBondContact O-N 3.1Å
364C77.6Confident78.4Confident97 Ų9758 Ų5866%0.65531%0.312SS*.THydrogen-bonded Turntrans-73.2-11.6170.9-60.60000113.7F361 L362F361-C364 WeakPolarHBondContact O-CB 3.33Å; F361-C364 PolarHBondContact O-N 3.44Å; L362-C364 PolarHBondContact O-N 3.15Å; L362-C364 VanDerWaalsContact O-N 3.15Å
365Y79.5Confident80.5Confident27 Ų2760.5 Ų60.511%0.10632%0.322CS..SBendtrans-106.3127.2-175.4-64-88.7000112.3F361 L362 S363 W367 F368 V438 L484 W487F361-Y365 HydrophobicContact CD1-CE2 4.45Å; F361-Y365 AromaticContact CE1-CE2 3.83Å; F361-Y365 HydrophobicContact CE1-CE2 3.83Å; F361-Y365 AromaticContact CE2-CE2 3.98Å; F361-Y365 HydrophobicContact CE2-CE2 3.98Å; F361-Y365 AromaticContact CZ-CE2 3.55Å; F361-Y365 HydrophobicContact CZ-CE2 3.55Å; F361-Y365 AromaticContact CZ-CZ 3.86Å; F361-Y365 VanDerWaalsContact CZ-OH 3.3Å; F361-Y365 WeakPolarHBondContact CZ-OH 3.25Å; L362-Y365 PolarHBondContact O-N 3.12Å; S363-Y365 PolarHBondContact O-N 3.1Å; Y365-W367 VanDerWaalsContact CB-CE2 3.48Å; Y365-W367 AromaticContact CD1-CE2 3.81Å; Y365-W367 AromaticContact CD1-CZ2 3.62Å; Y365-W367 HydrophobicContact CD1-CZ2 3.62Å; Y365-W367 AromaticContact CD1-NE1 3.68Å; Y365-W367 HydrophobicContact CD2-CH2 4.38Å; Y365-W367 HydrophobicContact CD2-CZ2 4.1Å; Y365-W367 HydrophobicContact CE1-CZ2 4.32Å; Y365-W367 AromaticContact CG-CE2 3.78Å; Y365-W367 HydrophobicContact CG-CH2 4.12Å; Y365-W367 AromaticContact CG-CZ2 3.48Å; Y365-W367 HydrophobicContact CG-CZ2 3.48Å; Y365-W367 VanDerWaalsContact CG-CZ2 3.48Å; Y365-W367 PolarHBondContact O-N 3.44Å; Y365-W367 VanDerWaalsContact O-N 3.15Å; Y365-F368 WeakPolarHBondContact O-CB 3.32Å; Y365-F368 PolarHBondContact O-N 2.97Å; Y365-V438 HydrophobicContact CD1-CG2 4.42Å; Y365-V438 HydrophobicContact CE1-CG2 3.78Å; Y365-L484 HydrophobicContact CD1-CD2 3.96Å; Y365-L484 HydrophobicContact CE1-CD2 4Å; Y365-W487 PolarHBondContact OH-NE1 2.96Å
366P80.9Confident82.4Confident67 Ų6765.1 Ų65.144%0.43534%0.342SS..THydrogen-bonded Turntrans-72.2-11-174.330.9-37.7000114.2F368 Y464 V466P366-F368 VanDerWaalsContact C-N 3.34Å; P366-Y464 HydrophobicContact CB-CE2 3.83Å; P366-Y464 HydrophobicContact CG-CE2 3.59Å; P366-V466 HydrophobicContact CB-CG2 4.13Å
367W89.5Confident84.1Confident3 Ų361.9 Ų61.91%0.01133%0.326CS..THydrogen-bonded Turntrans-83.4-5.6169.850.8-106.9000113.6L362 Y365 F392 V394 V437 V438 L441 Y464 F482L362-W367 HydrophobicContact CD2-CH2 3.74Å; L362-W367 HydrophobicContact CD2-CZ3 4.11Å; Y365-W367 VanDerWaalsContact CB-CE2 3.48Å; Y365-W367 AromaticContact CD1-CE2 3.81Å; Y365-W367 AromaticContact CD1-CZ2 3.62Å; Y365-W367 HydrophobicContact CD1-CZ2 3.62Å; Y365-W367 AromaticContact CD1-NE1 3.68Å; Y365-W367 HydrophobicContact CD2-CH2 4.38Å; Y365-W367 HydrophobicContact CD2-CZ2 4.1Å; Y365-W367 HydrophobicContact CE1-CZ2 4.32Å; Y365-W367 AromaticContact CG-CE2 3.78Å; Y365-W367 HydrophobicContact CG-CH2 4.12Å; Y365-W367 AromaticContact CG-CZ2 3.48Å; Y365-W367 HydrophobicContact CG-CZ2 3.48Å; Y365-W367 VanDerWaalsContact CG-CZ2 3.48Å; Y365-W367 PolarHBondContact O-N 3.44Å; Y365-W367 VanDerWaalsContact O-N 3.15Å; W367-F392 HydrophobicContact CB-CE2 4.33Å; W367-V394 HydrophobicContact CE3-CB 3.73Å; W367-V394 HydrophobicContact CE3-CG2 3.58Å; W367-V394 HydrophobicContact CZ3-CB 3.8Å; W367-V394 HydrophobicContact CZ3-CG1 4.31Å; W367-V394 HydrophobicContact CZ3-CG2 3.72Å; W367-V394 PolarHBondContact O-N 3.2Å; W367-V437 HydrophobicContact CH2-CB 4.07Å; W367-V437 HydrophobicContact CH2-CG1 3.46Å; W367-V437 VanDerWaalsContact CH2-CG1 3.46Å; W367-V437 HydrophobicContact CZ2-CG1 4.36Å; W367-V437 HydrophobicContact CZ3-CG1 3.74Å; W367-V438 HydrophobicContact CZ2-CG2 4.03Å; W367-L441 HydrophobicContact CD2-CD1 3.73Å; W367-L441 HydrophobicContact CE3-CD1 3.99Å; W367-L441 HydrophobicContact CG-CD1 4.32Å; W367-L441 HydrophobicContact CH2-CD1 4.09Å; W367-L441 HydrophobicContact CZ2-CD1 3.8Å; W367-L441 HydrophobicContact CZ3-CD1 4.17Å; W367-Y464 HydrophobicContact CB-CD2 3.77Å; W367-Y464 HydrophobicContact CB-CG 3.93Å; W367-F482 AromaticContact CD1-CE2 3.6Å; W367-F482 HydrophobicContact CG-CE2 4.26Å; W367-F482 AromaticContact NE1-CE2 3.96Å
368F92.1Very high85.5Confident25 Ų2554.5 Ų54.511%0.1130%0.297CS..BIsolated β-bridgetrans-98.3124.9177.7179.5-108.8000111.6L362 Y365 P366 V394 Y404L362-F368 VanDerWaalsContact C-CD1 3.45Å; L362-F368 HydrophobicContact CB-CB 4.39Å; L362-F368 HydrophobicContact CB-CD1 3.73Å; L362-F368 HydrophobicContact CB-CD2 3.86Å; L362-F368 HydrophobicContact CB-CE1 3.79Å; L362-F368 HydrophobicContact CB-CE2 3.95Å; L362-F368 HydrophobicContact CB-CG 3.73Å; L362-F368 HydrophobicContact CB-CZ 3.89Å; L362-F368 HydrophobicContact CD1-CD2 4.26Å; L362-F368 HydrophobicContact CD1-CE2 3.91Å; L362-F368 HydrophobicContact CD1-CZ 4.28Å; L362-F368 VanDerWaalsContact O-CB 3.29Å; L362-F368 WeakPolarHBondContact O-CB 3.28Å; L362-F368 WeakPolarHBondContact O-CD1 3.44Å; Y365-F368 WeakPolarHBondContact O-CB 3.32Å; Y365-F368 PolarHBondContact O-N 2.97Å; P366-F368 VanDerWaalsContact C-N 3.34Å; F368-V394 WeakPolarHBondContact CA-O 3.32Å; F368-V394 HydrophobicContact CD2-CB 4.35Å; F368-V394 HydrophobicContact CD2-CG1 4.21Å; F368-Y404 AromaticContact CE2-CD1 3.83Å; F368-Y404 HydrophobicContact CE2-CD1 3.83Å; F368-Y404 AromaticContact CE2-CE1 3.76Å; F368-Y404 HydrophobicContact CE2-CE1 3.76Å; F368-Y404 HydrophobicContact CZ-CD1 4.48Å; F368-Y404 AromaticContact CZ-CE1 3.97Å; F368-Y404 HydrophobicContact CZ-CE1 3.97Å
369H89.4Confident86.4Confident37 Ų3758.9 Ų58.917%0.17132%0.316CS..  trans-1109.8-172.6-72.8-136.8000113.1I372 L393 V394 V465H369-I372 HydrophobicContact CB-CB 4.24Å; H369-I372 HydrophobicContact CB-CG2 3.48Å; H369-I372 VanDerWaalsContact CB-CG2 3.48Å; H369-L393 HydrophobicContact CB-CD1 4.25Å; H369-V394 PolarHBondContact N-O 2.86Å; H369-V465 PolarHBondContact NE2-O 3.5Å
370G88.9Confident87.2Confident10 Ų1058.5 Ų58.510%0.10331%0.314CS..SBendtrans58.9-142.2179.800000113.2I372 R395 Q396G370-I372 PolarHBondContact O-N 3.44Å; G370-R395 WeakPolarHBondContact O-CA 3.43Å; G370-Q396 PolarHBondContact O-N 3.29Å
371P88.8Confident88.1Confident114 Ų11452 Ų5274%0.7428%0.284SS*.SBendtrans-7960.4-179.433.9-36.2000112.9
372I90Very high88.7Confident16 Ų1651.6 Ų51.68%0.08228%0.283CS..  trans-87.3138.9171.2-174.8162000111.4H369 G370 K376 A377 L380 L393 R395H369-I372 HydrophobicContact CB-CB 4.24Å; H369-I372 HydrophobicContact CB-CG2 3.48Å; H369-I372 VanDerWaalsContact CB-CG2 3.48Å; G370-I372 PolarHBondContact O-N 3.44Å; I372-K376 HydrophobicContact CD1-CB 4.18Å; I372-K376 HydrophobicContact CD1-CD 3.78Å; I372-K376 HydrophobicContact CD1-CG 3.88Å; I372-K376 HydrophobicContact CG1-CB 3.94Å; I372-K376 HydrophobicContact CG1-CD 4Å; I372-K376 HydrophobicContact CG1-CG 4.15Å; I372-A377 HydrophobicContact CG2-CB 4.46Å; I372-L380 HydrophobicContact CD1-CD1 3.48Å; I372-L380 VanDerWaalsContact CD1-CD1 3.48Å; I372-L393 HydrophobicContact CG2-CD1 4.2Å; I372-R395 HydrophobicContact CG2-CB 3.36Å; I372-R395 HydrophobicContact CG2-CG 4.27Å; I372-R395 PolarHBondContact O-NH1 3.27Å
373S91.8Very high88.8Confident50 Ų5056.8 Ų56.835%0.3531%0.31SS..  trans-69.3157.2-176.171.40000113.4V375 K376 A377 E398S373-V375 VanDerWaalsContact C-N 3.25Å; S373-V375 PolarHBondContact O-N 3.39Å; S373-K376 PolarHBondContact O-N 3.07Å; S373-K376 WeakPolarHBondContact OG-CB 3.35Å; S373-K376 PolarHBondContact OG-N 3.23Å; S373-A377 VanDerWaalsContact O-CB 3.22Å; S373-A377 WeakPolarHBondContact O-CB 3.3Å; S373-A377 PolarHBondContact O-N 2.78Å; S373-E398 WeakPolarHBondContact CA-OE1 3.45Å; S373-E398 WeakPolarHBondContact CB-OE1 3.33Å
374R91.6Very high88.7Confident144 Ų14458.4 Ų58.454%0.54331%0.31SS..Hα-helixtrans-54.9-43.5177.4-173-179.3173.2-172-6.3111.6A378 E398 H416R374-A378 VanDerWaalsContact O-CB 3.28Å; R374-A378 WeakPolarHBondContact O-CB 3.14Å; R374-A378 PolarHBondContact O-N 3.22Å; R374-E398 WeakPolarHBondContact CB-OE2 3.25Å; R374-E398 PolarHBondContact N-OE1 3.03Å; R374-E398 PolarHBondContact N-OE2 2.71Å; R374-H416 WeakPolarHBondContact CG-NE2 3.48Å; R374-H416 PolarHBondContact NE-CD2 3.43Å; R374-H416 PolarHBondContact NE-NE2 2.92Å; R374-H416 PolarHBondContact NH2-CD2 3Å
375V93.5Very high89Confident96 Ų9655 Ų5558%0.58229%0.291SS*.Hα-helixtrans-67.7-48.7-177.6-177.90000110.6S373 A377 A378 Q379S373-V375 VanDerWaalsContact C-N 3.25Å; S373-V375 PolarHBondContact O-N 3.39Å; V375-A377 PolarHBondContact O-N 3.47Å; V375-A378 PolarHBondContact O-N 3.31Å; V375-Q379 VanDerWaalsContact O-CG 3.31Å; V375-Q379 WeakPolarHBondContact O-CG 3.41Å; V375-Q379 PolarHBondContact O-N 2.83Å
376K91.5Very high89.2Confident106 Ų10657.6 Ų57.646%0.46131%0.311SS..Hα-helixtrans-67-38179.3-166.1-177.4170.9-1770111.7I372 S373 Q379 L380I372-K376 HydrophobicContact CD1-CB 4.18Å; I372-K376 HydrophobicContact CD1-CD 3.78Å; I372-K376 HydrophobicContact CD1-CG 3.88Å; I372-K376 HydrophobicContact CG1-CB 3.94Å; I372-K376 HydrophobicContact CG1-CD 4Å; I372-K376 HydrophobicContact CG1-CG 4.15Å; S373-K376 PolarHBondContact O-N 3.07Å; S373-K376 WeakPolarHBondContact OG-CB 3.35Å; S373-K376 PolarHBondContact OG-N 3.23Å; K376-Q379 PolarHBondContact O-N 2.86Å; K376-L380 WeakPolarHBondContact O-CB 3.48Å; K376-L380 VanDerWaalsContact O-CG 3.28Å; K376-L380 WeakPolarHBondContact O-CG 3.49Å; K376-L380 PolarHBondContact O-N 2.95Å
377A94Very high89.4Confident0 Ų061.3 Ų61.30%033%0.327CS..Hα-helixtrans-64.1-40174.100000112.8I372 S373 V375 V381 L393 R395 T407I372-A377 HydrophobicContact CG2-CB 4.46Å; S373-A377 VanDerWaalsContact O-CB 3.22Å; S373-A377 WeakPolarHBondContact O-CB 3.3Å; S373-A377 PolarHBondContact O-N 2.78Å; V375-A377 PolarHBondContact O-N 3.47Å; A377-V381 PolarHBondContact O-N 3.2Å; A377-L393 HydrophobicContact CB-CD1 3.99Å; A377-L393 HydrophobicContact CB-CD2 4.38Å; A377-R395 VanDerWaalsContact CB-CD 3.47Å; A377-T407 HydrophobicContact CB-CG2 4.01Å
378A93.4Very high89.2Confident14 Ų1461.2 Ų61.212%0.11633%0.327CS..Hα-helixtrans-63.7-51.1174.500000111.2R374 V375 L380 V381 Q382 A414R374-A378 VanDerWaalsContact O-CB 3.28Å; R374-A378 WeakPolarHBondContact O-CB 3.14Å; R374-A378 PolarHBondContact O-N 3.22Å; V375-A378 PolarHBondContact O-N 3.31Å; A378-L380 VanDerWaalsContact C-N 3.32Å; A378-L380 PolarHBondContact O-N 2.88Å; A378-V381 WeakPolarHBondContact O-CG2 3.22Å; A378-V381 PolarHBondContact O-N 3.25Å; A378-Q382 WeakPolarHBondContact O-CB 3.44Å; A378-Q382 VanDerWaalsContact O-CG 3.22Å; A378-Q382 WeakPolarHBondContact O-CG 3.18Å; A378-Q382 PolarHBondContact O-N 3.14Å; A378-Q382 PolarHBondContact O-OE1 3.17Å; A378-A414 HydrophobicContact CB-CB 3.51Å
379Q91.8Very high89.1Confident116 Ų11662.8 Ų62.854%0.54234%0.335SS..Hα-helixtrans-51-49.8175.4-73.1167.5-23.900111.9V375 K376 V381 Q382 L383V375-Q379 VanDerWaalsContact O-CG 3.31Å; V375-Q379 WeakPolarHBondContact O-CG 3.41Å; V375-Q379 PolarHBondContact O-N 2.83Å; K376-Q379 PolarHBondContact O-N 2.86Å; Q379-V381 PolarHBondContact O-N 3.36Å; Q379-Q382 CarbonylContact O-C 3.54Å; Q379-Q382 PolarHBondContact O-N 3.2Å; Q379-Q382 VanDerWaalsContact O-N 3.16Å; Q379-L383 PolarHBondContact O-N 2.95Å; Q379-L383 VanDerWaalsContact O-N 3.13Å
380L91.3Very high89Confident14 Ų1461 Ų617%0.07333%0.327CS..Hα-helixtrans-59.7-43-178.6-76.4173.7000113.9I372 K376 A378 Q382 L383 L393 V465 V467 T477I372-L380 HydrophobicContact CD1-CD1 3.48Å; I372-L380 VanDerWaalsContact CD1-CD1 3.48Å; K376-L380 WeakPolarHBondContact O-CB 3.48Å; K376-L380 VanDerWaalsContact O-CG 3.28Å; K376-L380 WeakPolarHBondContact O-CG 3.49Å; K376-L380 PolarHBondContact O-N 2.95Å; A378-L380 VanDerWaalsContact C-N 3.32Å; A378-L380 PolarHBondContact O-N 2.88Å; L380-Q382 VanDerWaalsContact C-N 3.33Å; L380-L383 HydrophobicContact CD2-CD1 4.29Å; L380-L393 HydrophobicContact CB-CD2 4.03Å; L380-L393 HydrophobicContact CD1-CD2 4.07Å; L380-V465 HydrophobicContact CB-CG1 4.15Å; L380-V465 HydrophobicContact CD1-CG1 4.49Å; L380-V465 HydrophobicContact CD2-CG1 4.35Å; L380-V467 HydrophobicContact CD1-CG2 3.79Å; L380-V467 HydrophobicContact CD2-CG2 3.86Å; L380-T477 HydrophobicContact CD2-CG2 3.86Å; L380-T477 WeakPolarHBondContact CD2-OG1 3.48Å
381V92.1Very high89.2Confident1 Ų160.7 Ų60.71%0.00632%0.323CS..Hα-helixtrans-78.3-19.4177.9-56.40000112.7A377 A378 Q379 V391 L393 T407 N409 A414 V465A377-V381 PolarHBondContact O-N 3.2Å; A378-V381 WeakPolarHBondContact O-CG2 3.22Å; A378-V381 PolarHBondContact O-N 3.25Å; Q379-V381 PolarHBondContact O-N 3.36Å; V381-V391 HydrophobicContact CB-CG1 4.37Å; V381-V391 HydrophobicContact CG1-CG1 4.46Å; V381-L393 HydrophobicContact CG1-CD2 3.99Å; V381-L393 HydrophobicContact CG1-CG 4.24Å; V381-T407 HydrophobicContact CG1-CG2 4.47Å; V381-T407 HydrophobicContact CG2-CG2 4.1Å; V381-N409 HydrophobicContact CB-CB 4.09Å; V381-N409 HydrophobicContact CG2-CB 4.14Å; V381-N409 WeakPolarHBondContact O-CB 3.47Å; V381-N409 PolarHBondContact O-ND2 3.4Å; V381-A414 HydrophobicContact CG2-CB 4.04Å; V381-V465 HydrophobicContact CG1-CG2 3.95Å
382Q91.8Very high89.5Confident71 Ų7155.3 Ų55.333%0.33229%0.288SS..Hα-helixtrans-93.1-0.6179.8-66.9177.2-80.600114.1A378 Q379 L380 Q384 G385 G412 A414A378-Q382 WeakPolarHBondContact O-CB 3.44Å; A378-Q382 VanDerWaalsContact O-CG 3.22Å; A378-Q382 WeakPolarHBondContact O-CG 3.18Å; A378-Q382 PolarHBondContact O-N 3.14Å; A378-Q382 PolarHBondContact O-OE1 3.17Å; Q379-Q382 CarbonylContact O-C 3.54Å; Q379-Q382 PolarHBondContact O-N 3.2Å; Q379-Q382 VanDerWaalsContact O-N 3.16Å; L380-Q382 VanDerWaalsContact C-N 3.33Å; Q382-Q384 PolarHBondContact O-N 3.08Å; Q382-G385 PolarHBondContact O-N 3.44Å; Q382-G412 PolarHBondContact NE2-O 2.94Å; Q382-A414 HydrophobicContact CG-CB 3.97Å
383L84.3Confident89.8Confident111 Ų11154.5 Ų54.558%0.58128%0.284SS*.THydrogen-bonded Turntrans-53.7-30-175.2-83.7171.7000115.3Q379 L380 T477Q379-L383 PolarHBondContact O-N 2.95Å; Q379-L383 VanDerWaalsContact O-N 3.13Å; L380-L383 HydrophobicContact CD2-CD1 4.29Å; L383-T477 HydrophobicContact CD1-CG2 3.67Å
384Q79.3Confident90Very high107 Ų10752.1 Ų52.150%0.527%0.267SS..THydrogen-bonded Turntrans-109.921.7178-54.4176.1-27.500112.4Q382 D387 A388Q382-Q384 PolarHBondContact O-N 3.08Å; Q384-D387 PolarHBondContact O-N 2.92Å; Q384-A388 HydrophobicContact CB-CB 3.89Å
385G83Confident90.1Very high25 Ų2545.7 Ų45.726%0.25824%0.243SC..G310 helixtrans55.3-131177.500000112.9Q382 D387 N409 G412Q382-G385 PolarHBondContact O-N 3.44Å; G385-D387 VanDerWaalsContact C-N 3.32Å; G385-D387 PolarHBondContact O-N 2.94Å; G385-N409 PolarHBondContact O-ND2 3.44Å; G385-G412 WeakPolarHBondContact O-CA 3.27Å
386P83.8Confident90Very high83 Ų8342.3 Ų42.354%0.53922%0.221SC..G310 helixtrans-69.8-25.7-17831-35.5000113.7A388 H389P386-A388 PolarHBondContact O-N 3.16Å; P386-H389 WeakPolarHBondContact O-CB 3.33Å; P386-H389 PolarHBondContact O-N 3.18Å; P386-H389 VanDerWaalsContact O-N 3.1Å
387D85.2Confident89.9Confident144 Ų14438.1 Ų38.177%0.7721%0.205SC*.G310 helixtrans-68.6-25-176.8-57.9-30.7000111.8Q384 G385 H389Q384-D387 PolarHBondContact O-N 2.92Å; G385-D387 VanDerWaalsContact C-N 3.32Å; G385-D387 PolarHBondContact O-N 2.94Å; D387-H389 PolarHBondContact O-N 3.38Å; D387-H389 VanDerWaalsContact O-N 3.12Å
388A85.5Confident89.5Confident2 Ų243.1 Ų43.12%0.01723%0.228CC..G310 helixtrans-76.123.117000000113.9Q384 P386 G390 V391 N409Q384-A388 HydrophobicContact CB-CB 3.89Å; P386-A388 PolarHBondContact O-N 3.16Å; A388-G390 PolarHBondContact O-N 2.99Å; A388-V391 HydrophobicContact CB-CB 3.96Å; A388-V391 HydrophobicContact CB-CG2 3.56Å; A388-V391 WeakPolarHBondContact O-CB 3.28Å; A388-V391 WeakPolarHBondContact O-CG2 3.26Å; A388-V391 PolarHBondContact O-N 3.11Å; A388-N409 VanDerWaalsContact CB-ND2 3.28Å; A388-N409 WeakPolarHBondContact CB-ND2 3.47Å; A388-N409 VanDerWaalsContact O-CB 3.24Å; A388-N409 WeakPolarHBondContact O-CB 3.3Å; A388-N409 VanDerWaalsContact O-CG 3.24Å; A388-N409 PolarHBondContact O-ND2 3.18Å
389H89.8Confident88.7Confident58 Ų5848.4 Ų48.427%0.26926%0.259SS..THydrogen-bonded Turntrans-56.5126.8176.5-170.9107.4000111.6P386 D387 V391 Q411 V459 S462P386-H389 WeakPolarHBondContact O-CB 3.33Å; P386-H389 PolarHBondContact O-N 3.18Å; P386-H389 VanDerWaalsContact O-N 3.1Å; D387-H389 PolarHBondContact O-N 3.38Å; D387-H389 VanDerWaalsContact O-N 3.12Å; H389-V391 VanDerWaalsContact C-N 3.27Å; H389-V391 PolarHBondContact O-N 3.13Å; H389-Q411 WeakPolarHBondContact ND1-CG 3.44Å; H389-Q411 PolarHBondContact ND1-N 2.92Å; H389-V459 WeakPolarHBondContact NE2-CA 3.24Å; H389-V459 WeakPolarHBondContact NE2-CB 3.21Å; H389-S462 PolarHBondContact O-OG 3.03Å
390G87.8Confident88.1Confident0 Ų048.8 Ų48.80%026%0.255CS..THydrogen-bonded Turntrans80.3-2.4-176.900000115.1A388 N409 R460 S462A388-G390 PolarHBondContact O-N 2.99Å; G390-N409 PolarHBondContact N-O 3.26Å; G390-R460 VanDerWaalsContact CA-O 3.3Å; G390-R460 WeakPolarHBondContact CA-O 3.49Å; G390-S462 WeakPolarHBondContact CA-OG 3.43Å; G390-S462 PolarHBondContact O-N 3.28Å; G390-S462 VanDerWaalsContact O-N 3.09Å; G390-S462 PolarHBondContact O-OG 3.37Å
391V93.6Very high87.4Confident3 Ų356.5 Ų56.52%0.01828%0.283CS..  trans-64.9135.6171.8172.80000109.8V381 A388 H389 F408 N409 S462 S463 V465 L479V381-V391 HydrophobicContact CB-CG1 4.37Å; V381-V391 HydrophobicContact CG1-CG1 4.46Å; A388-V391 HydrophobicContact CB-CB 3.96Å; A388-V391 HydrophobicContact CB-CG2 3.56Å; A388-V391 WeakPolarHBondContact O-CB 3.28Å; A388-V391 WeakPolarHBondContact O-CG2 3.26Å; A388-V391 PolarHBondContact O-N 3.11Å; H389-V391 VanDerWaalsContact C-N 3.27Å; H389-V391 PolarHBondContact O-N 3.13Å; V391-F408 CarbonylContact O-C 3.46Å; V391-F408 WeakPolarHBondContact O-CA 3.34Å; V391-N409 PolarHBondContact O-N 2.99Å; V391-S462 PolarHBondContact N-OG 3.25Å; V391-S463 WeakPolarHBondContact CA-O 3.31Å; V391-S463 WeakPolarHBondContact CG2-OG 3.48Å; V391-V465 HydrophobicContact CG1-CG2 3.61Å; V391-L479 HydrophobicContact CG1-CD1 4.35Å; V391-L479 HydrophobicContact CG1-CD2 3.7Å; V391-L479 HydrophobicContact CG2-CD1 3.8Å
392F95.6Very high86.7Confident0 Ų057.9 Ų57.90%030%0.298CS..EExtended strand (participates in β ladder)trans-147.8170.2-175.375.3-85.5000116.3W367 L406 T407 F408 L441 L461 S463 Y464 V465 F482W367-F392 HydrophobicContact CB-CE2 4.33Å; F392-L406 HydrophobicContact CB-CD1 3.87Å; F392-L406 HydrophobicContact CD2-CD1 3.37Å; F392-L406 HydrophobicContact CE2-CD1 4.14Å; F392-L406 HydrophobicContact CG-CD1 3.9Å; F392-T407 CarbonylContact C-O 3.59Å; F392-T407 VanDerWaalsContact CA-O 3.25Å; F392-T407 WeakPolarHBondContact CA-O 3Å; F392-T407 WeakPolarHBondContact CB-O 3.24Å; F392-F408 HydrophobicContact CB-CB 3.6Å; F392-L441 HydrophobicContact CD2-CD2 4.21Å; F392-L441 HydrophobicContact CE2-CD1 3.94Å; F392-L441 HydrophobicContact CE2-CD2 3.54Å; F392-L441 HydrophobicContact CE2-CG 4.29Å; F392-L441 HydrophobicContact CZ-CD1 4.3Å; F392-L441 HydrophobicContact CZ-CD2 4.02Å; F392-L461 HydrophobicContact CB-CD2 4.04Å; F392-L461 HydrophobicContact CD1-CB 3.9Å; F392-L461 HydrophobicContact CD1-CD1 4.25Å; F392-L461 HydrophobicContact CD1-CD2 3.74Å; F392-L461 HydrophobicContact CD1-CG 4.18Å; F392-L461 HydrophobicContact CE1-CB 3.69Å; F392-L461 HydrophobicContact CE1-CD1 4.06Å; F392-L461 HydrophobicContact CE1-CD2 4.31Å; F392-L461 HydrophobicContact CE1-CG 4.24Å; F392-L461 HydrophobicContact CE2-CD1 4.37Å; F392-L461 HydrophobicContact CG-CD1 4.46Å; F392-L461 HydrophobicContact CG-CD2 3.93Å; F392-L461 HydrophobicContact CZ-CB 4.42Å; F392-L461 HydrophobicContact CZ-CD1 4.07Å; F392-S463 WeakPolarHBondContact CD1-O 3.21Å; F392-S463 PolarHBondContact N-O 3.33Å; F392-S463 VanDerWaalsContact N-O 3.07Å; F392-Y464 VanDerWaalsContact O-CA 3.31Å; F392-Y464 WeakPolarHBondContact O-CA 3.48Å; F392-V465 PolarHBondContact O-N 3.19Å; F392-F482 AromaticContact CE1-CD2 3.87Å; F392-F482 HydrophobicContact CE1-CD2 3.87Å; F392-F482 HydrophobicContact CE1-CE2 4.26Å; F392-F482 HydrophobicContact CE1-CG 4.4Å; F392-F482 HydrophobicContact CE2-CD2 4.48Å; F392-F482 HydrophobicContact CE2-CE2 4.18Å; F392-F482 AromaticContact CZ-CD2 3.43Å; F392-F482 HydrophobicContact CZ-CD2 3.43Å; F392-F482 VanDerWaalsContact CZ-CD2 3.43Å; F392-F482 AromaticContact CZ-CE2 3.38Å; F392-F482 HydrophobicContact CZ-CE2 3.38Å; F392-F482 HydrophobicContact CZ-CG 4.28Å; F392-F482 HydrophobicContact CZ-CZ 4.14Å
393L95.8Very high86.6Confident0 Ų055.9 Ų55.90%029%0.289CS..EExtended strand (participates in β ladder)trans-149.4156.716563.292.1000110.4H369 I372 A377 L380 V381 R395 T407 V465H369-L393 HydrophobicContact CB-CD1 4.25Å; I372-L393 HydrophobicContact CG2-CD1 4.2Å; A377-L393 HydrophobicContact CB-CD1 3.99Å; A377-L393 HydrophobicContact CB-CD2 4.38Å; L380-L393 HydrophobicContact CB-CD2 4.03Å; L380-L393 HydrophobicContact CD1-CD2 4.07Å; V381-L393 HydrophobicContact CG1-CD2 3.99Å; V381-L393 HydrophobicContact CG1-CG 4.24Å; L393-R395 HydrophobicContact CD1-CB 4.03Å; L393-R395 HydrophobicContact CD1-CG 4.4Å; L393-T407 PolarHBondContact N-O 3.27Å; L393-T407 PolarHBondContact O-N 3.14Å; L393-T407 VanDerWaalsContact O-O 3.13Å; L393-V465 HydrophobicContact CB-CB 4.4Å; L393-V465 HydrophobicContact CD2-CB 4.25Å; L393-V465 HydrophobicContact CD2-CG2 4.27Å
394V95.3Very high87Confident0 Ų050.7 Ų50.70%026%0.261CS..EExtended strand (participates in β ladder)trans-105.7137.4169.6-175.60000109.4W367 F368 H369 V405 L406 L419 L441W367-V394 HydrophobicContact CE3-CB 3.73Å; W367-V394 HydrophobicContact CE3-CG2 3.58Å; W367-V394 HydrophobicContact CZ3-CB 3.8Å; W367-V394 HydrophobicContact CZ3-CG1 4.31Å; W367-V394 HydrophobicContact CZ3-CG2 3.72Å; W367-V394 PolarHBondContact O-N 3.2Å; F368-V394 WeakPolarHBondContact CA-O 3.32Å; F368-V394 HydrophobicContact CD2-CB 4.35Å; F368-V394 HydrophobicContact CD2-CG1 4.21Å; H369-V394 PolarHBondContact N-O 2.86Å; V394-V405 WeakPolarHBondContact CA-O 3.46Å; V394-L406 HydrophobicContact CG2-CD1 4.07Å; V394-L419 HydrophobicContact CG1-CD1 3.93Å; V394-L441 HydrophobicContact CG2-CD1 4.48Å; V394-L441 HydrophobicContact CG2-CD2 4.29Å
395R94.4Very high87.8Confident8 Ų846.1 Ų46.13%0.0324%0.241CC..EExtended strand (participates in β ladder)trans-137161.3-179.967.4-169.6-163.586.52.5111.8G370 I372 A377 L393 E398 Y404 V405 T407G370-R395 WeakPolarHBondContact O-CA 3.43Å; I372-R395 HydrophobicContact CG2-CB 3.36Å; I372-R395 HydrophobicContact CG2-CG 4.27Å; I372-R395 PolarHBondContact O-NH1 3.27Å; A377-R395 VanDerWaalsContact CB-CD 3.47Å; L393-R395 HydrophobicContact CD1-CB 4.03Å; L393-R395 HydrophobicContact CD1-CG 4.4Å; R395-E398 IonicContact CZ-OE2 3.53Å; R395-E398 IonicContact NH1-OE2 2.92Å; R395-E398 PolarHBondContact NH1-OE2 2.71Å; R395-E398 IonicContact NH2-OE2 3.5Å; R395-E398 PolarHBondContact NH2-OE2 3.41Å; R395-Y404 CarbonylContact O-C 3.55Å; R395-Y404 VanDerWaalsContact O-CA 3.31Å; R395-Y404 WeakPolarHBondContact O-CA 3.22Å; R395-V405 HydrophobicContact CG-CB 3.96Å; R395-V405 PolarHBondContact N-O 3.31Å; R395-V405 PolarHBondContact O-N 2.69Å; R395-T407 PolarHBondContact NE-OG1 3.34Å
396Q91.8Very high88.4Confident26 Ų2645 Ų4512%0.12123%0.228CC..EExtended strand (participates in β ladder)trans-71.9147.4167.2-168.6170.461.700110.5C355 D359 G370 Y404C355-Q396 PolarHBondContact SG-NE2 3.46Å; D359-Q396 VanDerWaalsContact CG-NE2 3.31Å; D359-Q396 PolarHBondContact OD1-NE2 2.89Å; D359-Q396 VanDerWaalsContact OD1-NE2 3.11Å; D359-Q396 PolarHBondContact OD2-NE2 3.47Å; G370-Q396 PolarHBondContact O-N 3.29Å; Q396-Y404 HydrophobicContact CB-CD1 4.42Å; Q396-Y404 HydrophobicContact CB-CE1 4.36Å; Q396-Y404 HydrophobicContact CG-CE1 4.46Å
397S89.1Confident89Confident18 Ų1841 Ų4113%0.12620%0.203CC..  trans-80.7125.5-179.7-178.20000112T399 R400 E403S397-T399 VanDerWaalsContact C-N 3.29Å; S397-T399 PolarHBondContact O-N 3.45Å; S397-R400 WeakPolarHBondContact CB-O 3.33Å; S397-R400 PolarHBondContact OG-N 3.17Å; S397-E403 VanDerWaalsContact CB-O 3.23Å; S397-E403 WeakPolarHBondContact CB-O 3.48Å; S397-E403 PolarHBondContact N-O 3.19Å
398E84.1Confident89.5Confident105 Ų10534.2 Ų34.249%0.49117%0.166SC..SBendtrans-66.2-30.6177.8-61134.3114.900113S373 R374 R395S373-E398 WeakPolarHBondContact CA-OE1 3.45Å; S373-E398 WeakPolarHBondContact CB-OE1 3.33Å; R374-E398 WeakPolarHBondContact CB-OE2 3.25Å; R374-E398 PolarHBondContact N-OE1 3.03Å; R374-E398 PolarHBondContact N-OE2 2.71Å; R395-E398 IonicContact CZ-OE2 3.53Å; R395-E398 IonicContact NH1-OE2 2.92Å; R395-E398 PolarHBondContact NH1-OE2 2.71Å; R395-E398 IonicContact NH2-OE2 3.5Å; R395-E398 PolarHBondContact NH2-OE2 3.41Å
399T77.3Confident89.9Confident124 Ų12434.1 Ų34.176%0.76117%0.166SC*.SBendtrans-103.7-7.5-169.457.60000113.7S397S397-T399 VanDerWaalsContact C-N 3.29Å; S397-T399 PolarHBondContact O-N 3.45Å
400R78.6Confident89.9Confident124 Ų12431.8 Ų31.847%0.46816%0.155SC..SBendtrans-143.2103.4-176.4-62.3180177.9-99.9-1.4109.8S397 E403S397-R400 WeakPolarHBondContact CB-O 3.33Å; S397-R400 PolarHBondContact OG-N 3.17Å; R400-E403 HydrophobicContact CB-CB 4.05Å; R400-E403 HydrophobicContact CB-CG 4.06Å; R400-E403 WeakPolarHBondContact CB-OE2 3.29Å; R400-E403 WeakPolarHBondContact CD-OE2 3.44Å; R400-E403 PolarHBondContact O-N 3.15Å
401R76.8Confident90Very high176 Ų17637.3 Ų37.366%0.66418%0.181SC*.THydrogen-bonded Turntrans-56.4140.9174.5-69.3178.6173172.8-2.5109.8P272 D273 E403P272-R401 PolarHBondContact O-NH2 3.32Å; D273-R401 IonicContact OD1-CZ 3.49Å; D273-R401 IonicContact OD1-NH1 2.67Å; D273-R401 PolarHBondContact OD1-NH1 3.4Å; D273-R401 IonicContact OD1-NH2 3.72Å; D273-R401 PolarHBondContact OD1-NH2 2.83Å; D273-R401 VanDerWaalsContact OD1-NH2 3.13Å; R401-E403 VanDerWaalsContact C-N 3.27Å; R401-E403 PolarHBondContact O-N 3.14Å
402G77.6Confident89.5Confident30 Ų3038 Ų3831%0.30919%0.189SC..THydrogen-bonded Turntrans763.8-179.200000115.8
403E89.4Confident89.2Confident30 Ų3042.6 Ų42.614%0.1421%0.212CC..EExtended strand (participates in β ladder)trans-116.4156.7179.6-64.3-175.2-167.800112.9S397 R400 R401 R418S397-E403 VanDerWaalsContact CB-O 3.23Å; S397-E403 WeakPolarHBondContact CB-O 3.48Å; S397-E403 PolarHBondContact N-O 3.19Å; R400-E403 HydrophobicContact CB-CB 4.05Å; R400-E403 HydrophobicContact CB-CG 4.06Å; R400-E403 WeakPolarHBondContact CB-OE2 3.29Å; R400-E403 WeakPolarHBondContact CD-OE2 3.44Å; R400-E403 PolarHBondContact O-N 3.15Å; R401-E403 VanDerWaalsContact C-N 3.27Å; R401-E403 PolarHBondContact O-N 3.14Å; E403-R418 VanDerWaalsContact CD-NH2 3.29Å; E403-R418 IonicContact OE1-CZ 3.49Å; E403-R418 IonicContact OE1-NE 3.39Å; E403-R418 IonicContact OE1-NH2 2.73Å; E403-R418 PolarHBondContact OE1-NH2 3.48Å; E403-R418 IonicContact OE2-CZ 3.59Å; E403-R418 VanDerWaalsContact OE2-CZ 3.31Å; E403-R418 IonicContact OE2-NE 2.71Å; E403-R418 PolarHBondContact OE2-NE 3.1Å; E403-R418 IonicContact OE2-NH2 3.13Å; E403-R418 PolarHBondContact OE2-NH2 3.48Å; E403-R418 VanDerWaalsContact OE2-NH2 3.12Å
404Y94.1Very high89.1Confident2 Ų243.3 Ų43.31%0.00822%0.218CC..EExtended strand (participates in β ladder)trans-126.3162.1-174.9-61.5-89.3000111T358 D359 L362 F368 R395 Q396 L419 L421T358-Y404 PolarHBondContact OG1-OH 2.98Å; D359-Y404 WeakPolarHBondContact OD1-CE1 3.38Å; D359-Y404 VanDerWaalsContact OD1-CZ 3.29Å; D359-Y404 PolarHBondContact OD1-OH 2.91Å; L362-Y404 HydrophobicContact CD1-CD1 4.03Å; L362-Y404 HydrophobicContact CD1-CE1 3.65Å; L362-Y404 HydrophobicContact CD1-CE2 4.43Å; F368-Y404 AromaticContact CE2-CD1 3.83Å; F368-Y404 HydrophobicContact CE2-CD1 3.83Å; F368-Y404 AromaticContact CE2-CE1 3.76Å; F368-Y404 HydrophobicContact CE2-CE1 3.76Å; F368-Y404 HydrophobicContact CZ-CD1 4.48Å; F368-Y404 AromaticContact CZ-CE1 3.97Å; F368-Y404 HydrophobicContact CZ-CE1 3.97Å; R395-Y404 CarbonylContact O-C 3.55Å; R395-Y404 VanDerWaalsContact O-CA 3.31Å; R395-Y404 WeakPolarHBondContact O-CA 3.22Å; Q396-Y404 HydrophobicContact CB-CD1 4.42Å; Q396-Y404 HydrophobicContact CB-CE1 4.36Å; Q396-Y404 HydrophobicContact CG-CE1 4.46Å; Y404-L419 PolarHBondContact N-O 3.44Å; Y404-L419 PolarHBondContact O-N 2.75Å; Y404-L421 HydrophobicContact CD2-CB 4.48Å; Y404-L421 HydrophobicContact CD2-CD1 3.6Å; Y404-L421 HydrophobicContact CD2-CG 3.85Å; Y404-L421 HydrophobicContact CE2-CB 4.48Å; Y404-L421 HydrophobicContact CE2-CD1 3.53Å; Y404-L421 HydrophobicContact CE2-CG 4.12Å; Y404-L421 HydrophobicContact CG-CD1 4.44Å
405V95.2Very high89Confident11 Ų1146.7 Ų46.77%0.06723%0.233CC..EExtended strand (participates in β ladder)trans-136.8118.3-177.4-176.20000109V394 R395 T407 H416 L417V394-V405 WeakPolarHBondContact CA-O 3.46Å; R395-V405 HydrophobicContact CG-CB 3.96Å; R395-V405 PolarHBondContact N-O 3.31Å; R395-V405 PolarHBondContact O-N 2.69Å; V405-T407 PolarHBondContact O-N 3.38Å; V405-H416 HydrophobicContact CG1-CB 3.73Å; V405-L417 WeakPolarHBondContact CA-O 3.07Å
406L95.9Very high88.9Confident0 Ų049.1 Ų49.10%024%0.244CC..EExtended strand (participates in β ladder)trans-74.9112.1161.3172.362.7000107.2F392 V394 F408 H416 L417 L419 M440 L441 I449 L461F392-L406 HydrophobicContact CB-CD1 3.87Å; F392-L406 HydrophobicContact CD2-CD1 3.37Å; F392-L406 HydrophobicContact CE2-CD1 4.14Å; F392-L406 HydrophobicContact CG-CD1 3.9Å; V394-L406 HydrophobicContact CG2-CD1 4.07Å; L406-F408 HydrophobicContact CD2-CD1 4.49Å; L406-F408 HydrophobicContact CG-CD1 4.18Å; L406-H416 WeakPolarHBondContact O-CA 3.23Å; L406-L417 HydrophobicContact CB-CB 4.29Å; L406-L417 HydrophobicContact CD2-CD2 4.22Å; L406-L417 PolarHBondContact N-O 3.14Å; L406-L417 PolarHBondContact O-N 2.77Å; L406-L419 HydrophobicContact CB-CD1 4.15Å; L406-L419 HydrophobicContact CB-CD2 4.06Å; L406-L419 HydrophobicContact CB-CG 4.32Å; L406-M440 HydrophobicContact CD2-SD 4.21Å; L406-L441 HydrophobicContact CD1-CD2 3.93Å; L406-L441 HydrophobicContact CD2-CD2 4.32Å; L406-I449 HydrophobicContact CD2-CD1 4.47Å; L406-L461 HydrophobicContact CD1-CD1 4.5Å; L406-L461 HydrophobicContact CD2-CD1 4.09Å; L406-L461 HydrophobicContact CD2-CD2 4.42Å
407T96Very high88.9Confident0 Ų048.5 Ų48.50%024%0.241CC..EExtended strand (participates in β ladder)trans-103.3124.4173.1-61.40000108.1A377 V381 F392 L393 R395 V405 K415 H416A377-T407 HydrophobicContact CB-CG2 4.01Å; V381-T407 HydrophobicContact CG1-CG2 4.47Å; V381-T407 HydrophobicContact CG2-CG2 4.1Å; F392-T407 CarbonylContact C-O 3.59Å; F392-T407 VanDerWaalsContact CA-O 3.25Å; F392-T407 WeakPolarHBondContact CA-O 3Å; F392-T407 WeakPolarHBondContact CB-O 3.24Å; L393-T407 PolarHBondContact N-O 3.27Å; L393-T407 PolarHBondContact O-N 3.14Å; L393-T407 VanDerWaalsContact O-O 3.13Å; R395-T407 PolarHBondContact NE-OG1 3.34Å; V405-T407 PolarHBondContact O-N 3.38Å; T407-K415 WeakPolarHBondContact CA-O 3.21Å; T407-H416 WeakPolarHBondContact CG2-ND1 3.32Å; T407-H416 PolarHBondContact OG1-ND1 2.78Å
408F95.3Very high89.1Confident1 Ų153.3 Ų53.30%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-142.4157.9-174.869-86.9000111.3V391 F392 L406 F410 K415 L417 I449 L451 V459 L461V391-F408 CarbonylContact O-C 3.46Å; V391-F408 WeakPolarHBondContact O-CA 3.34Å; F392-F408 HydrophobicContact CB-CB 3.6Å; L406-F408 HydrophobicContact CD2-CD1 4.49Å; L406-F408 HydrophobicContact CG-CD1 4.18Å; F408-F410 HydrophobicContact CE2-CB 4.28Å; F408-K415 HydrophobicContact CD1-CB 4.32Å; F408-K415 HydrophobicContact CD2-CB 4.34Å; F408-K415 HydrophobicContact CE1-CB 3.76Å; F408-K415 HydrophobicContact CE2-CB 3.76Å; F408-K415 HydrophobicContact CE2-CG 4.11Å; F408-K415 HydrophobicContact CZ-CB 3.46Å; F408-K415 VanDerWaalsContact CZ-CB 3.46Å; F408-K415 HydrophobicContact CZ-CG 4.13Å; F408-K415 PolarHBondContact N-O 3.33Å; F408-K415 PolarHBondContact O-N 3.46Å; F408-L417 HydrophobicContact CE1-CB 4.13Å; F408-I449 HydrophobicContact CD1-CD1 4.09Å; F408-I449 HydrophobicContact CD2-CD1 4.22Å; F408-I449 HydrophobicContact CE1-CD1 3.84Å; F408-I449 HydrophobicContact CE2-CD1 4Å; F408-I449 HydrophobicContact CG-CD1 4.26Å; F408-I449 HydrophobicContact CZ-CD1 3.78Å; F408-I449 HydrophobicContact CZ-CG2 4.39Å; F408-L451 HydrophobicContact CE2-CD1 4.47Å; F408-L451 HydrophobicContact CZ-CD1 4.26Å; F408-L451 HydrophobicContact CZ-CD2 4.22Å; F408-V459 HydrophobicContact CD2-CG2 3.92Å; F408-V459 HydrophobicContact CE2-CG1 3.93Å; F408-V459 HydrophobicContact CE2-CG2 3.86Å; F408-L461 HydrophobicContact CB-CD2 4.23Å
409N93.9Very high89.5Confident0 Ų048.3 Ų48.30%023%0.234CC..EExtended strand (participates in β ladder)trans-91.9126.3179.1174.6-20.4000111V381 G385 A388 G390 V391 Q411 G412V381-N409 HydrophobicContact CB-CB 4.09Å; V381-N409 HydrophobicContact CG2-CB 4.14Å; V381-N409 WeakPolarHBondContact O-CB 3.47Å; V381-N409 PolarHBondContact O-ND2 3.4Å; G385-N409 PolarHBondContact O-ND2 3.44Å; A388-N409 VanDerWaalsContact CB-ND2 3.28Å; A388-N409 WeakPolarHBondContact CB-ND2 3.47Å; A388-N409 VanDerWaalsContact O-CB 3.24Å; A388-N409 WeakPolarHBondContact O-CB 3.3Å; A388-N409 VanDerWaalsContact O-CG 3.24Å; A388-N409 PolarHBondContact O-ND2 3.18Å; G390-N409 PolarHBondContact N-O 3.26Å; V391-N409 PolarHBondContact O-N 2.99Å; N409-Q411 PolarHBondContact OD1-N 3.46Å; N409-G412 WeakPolarHBondContact OD1-CA 3.07Å; N409-G412 PolarHBondContact OD1-N 3.43Å
410F91.2Very high90.2Very high9 Ų944.5 Ų44.54%0.03921%0.212CC..EExtended strand (participates in β ladder)trans-114.6102170.2-176.2-91000109.1F408 G412 I413 K415 L451 C457 V459F408-F410 HydrophobicContact CE2-CB 4.28Å; F410-G412 VanDerWaalsContact C-N 3.25Å; F410-G412 PolarHBondContact O-N 2.73Å; F410-I413 PolarHBondContact N-O 2.97Å; F410-I413 WeakPolarHBondContact O-CB 3.34Å; F410-I413 PolarHBondContact O-N 3.5Å; F410-K415 HydrophobicContact CB-CG 3.59Å; F410-K415 HydrophobicContact CG-CG 4.4Å; F410-L451 HydrophobicContact CD2-CD1 3.95Å; F410-L451 HydrophobicContact CE2-CD1 4.18Å; F410-C457 HydrophobicContact CE2-CB 3.96Å; F410-C457 HydrophobicContact CZ-CB 3.78Å; F410-V459 HydrophobicContact CD2-CB 3.66Å; F410-V459 HydrophobicContact CD2-CG1 3.62Å; F410-V459 HydrophobicContact CD2-CG2 4.29Å; F410-V459 HydrophobicContact CE2-CB 3.98Å; F410-V459 HydrophobicContact CE2-CG1 3.93Å
411Q88.4Confident90.6Very high117 Ų11740 Ų4055%0.54720%0.197SC..THydrogen-bonded Turntrans54.138.6174.9-55.3177.4-13.100113.5H389 N409H389-Q411 WeakPolarHBondContact ND1-CG 3.44Å; H389-Q411 PolarHBondContact ND1-N 2.92Å; N409-Q411 PolarHBondContact OD1-N 3.46Å
412G84.6Confident91Very high18 Ų1833.9 Ų33.919%0.18618%0.179CC..THydrogen-bonded Turntrans89.5-6.9-176.400000115Q382 G385 N409 F410Q382-G412 PolarHBondContact NE2-O 2.94Å; G385-G412 WeakPolarHBondContact O-CA 3.27Å; N409-G412 WeakPolarHBondContact OD1-CA 3.07Å; N409-G412 PolarHBondContact OD1-N 3.43Å; F410-G412 VanDerWaalsContact C-N 3.25Å; F410-G412 PolarHBondContact O-N 2.73Å
413I89.2Confident90.8Very high95 Ų9541.1 Ų41.149%0.48721%0.205SC..EExtended strand (participates in β ladder)trans-104.4121.7179.9-59.7169.9000109.8F410 K415F410-I413 PolarHBondContact N-O 2.97Å; F410-I413 WeakPolarHBondContact O-CB 3.34Å; F410-I413 PolarHBondContact O-N 3.5Å; I413-K415 HydrophobicContact CG2-CD 4.39Å; I413-K415 PolarHBondContact O-N 3.21Å
414A92.7Very high89.9Confident15 Ų1550.2 Ų50.212%0.12424%0.238CC..EExtended strand (participates in β ladder)trans-64.1124.8171.400000111.4A378 V381 Q382A378-A414 HydrophobicContact CB-CB 3.51Å; V381-A414 HydrophobicContact CG2-CB 4.04Å; Q382-A414 HydrophobicContact CG-CB 3.97Å
415K93.1Very high89Confident72 Ų7251.5 Ų51.531%0.31325%0.252SS..EExtended strand (participates in β ladder)trans-110.5155.2169.8-58.3-63.7-176.1177.60109.1T407 F408 F410 I413T407-K415 WeakPolarHBondContact CA-O 3.21Å; F408-K415 HydrophobicContact CD1-CB 4.32Å; F408-K415 HydrophobicContact CD2-CB 4.34Å; F408-K415 HydrophobicContact CE1-CB 3.76Å; F408-K415 HydrophobicContact CE2-CB 3.76Å; F408-K415 HydrophobicContact CE2-CG 4.11Å; F408-K415 HydrophobicContact CZ-CB 3.46Å; F408-K415 VanDerWaalsContact CZ-CB 3.46Å; F408-K415 HydrophobicContact CZ-CG 4.13Å; F408-K415 PolarHBondContact N-O 3.33Å; F408-K415 PolarHBondContact O-N 3.46Å; F410-K415 HydrophobicContact CB-CG 3.59Å; F410-K415 HydrophobicContact CG-CG 4.4Å; I413-K415 HydrophobicContact CG2-CD 4.39Å; I413-K415 PolarHBondContact O-N 3.21Å
416H92.5Very high88.6Confident59 Ų5955.7 Ų55.727%0.27327%0.271SS..EExtended strand (participates in β ladder)trans-131.4116.7-178.1-52.1-72.3000109.6R374 V405 L406 T407R374-H416 WeakPolarHBondContact CG-NE2 3.48Å; R374-H416 PolarHBondContact NE-CD2 3.43Å; R374-H416 PolarHBondContact NE-NE2 2.92Å; R374-H416 PolarHBondContact NH2-CD2 3Å; V405-H416 HydrophobicContact CG1-CB 3.73Å; L406-H416 WeakPolarHBondContact O-CA 3.23Å; T407-H416 WeakPolarHBondContact CG2-ND1 3.32Å; T407-H416 PolarHBondContact OG1-ND1 2.78Å
417L92.2Very high88.4Confident12 Ų1255.7 Ų55.76%0.06327%0.271CS..EExtended strand (participates in β ladder)trans-105.5119.1177.1-174.961.6000109.1V405 L406 F408 V429 Q430 F444 I449V405-L417 WeakPolarHBondContact CA-O 3.07Å; L406-L417 HydrophobicContact CB-CB 4.29Å; L406-L417 HydrophobicContact CD2-CD2 4.22Å; L406-L417 PolarHBondContact N-O 3.14Å; L406-L417 PolarHBondContact O-N 2.77Å; F408-L417 HydrophobicContact CE1-CB 4.13Å; L417-V429 HydrophobicContact CD1-CG1 3.75Å; L417-V429 HydrophobicContact CD2-CG1 3.5Å; L417-V429 HydrophobicContact CG-CG1 3.57Å; L417-Q430 HydrophobicContact CD1-CG 4.26Å; L417-F444 HydrophobicContact CD2-CE2 4Å; L417-F444 HydrophobicContact CD2-CZ 4.39Å; L417-I449 HydrophobicContact CD2-CG2 3.74Å
418R92.8Very high88.1Confident120 Ų12061.6 Ų61.645%0.45329%0.293SS..EExtended strand (participates in β ladder)trans-76.3129.1-176.9-178.3178172.7-138.7-7.7110.1E403E403-R418 VanDerWaalsContact CD-NH2 3.29Å; E403-R418 IonicContact OE1-CZ 3.49Å; E403-R418 IonicContact OE1-NE 3.39Å; E403-R418 IonicContact OE1-NH2 2.73Å; E403-R418 PolarHBondContact OE1-NH2 3.48Å; E403-R418 IonicContact OE2-CZ 3.59Å; E403-R418 VanDerWaalsContact OE2-CZ 3.31Å; E403-R418 IonicContact OE2-NE 2.71Å; E403-R418 PolarHBondContact OE2-NE 3.1Å; E403-R418 IonicContact OE2-NH2 3.13Å; E403-R418 PolarHBondContact OE2-NH2 3.48Å; E403-R418 VanDerWaalsContact OE2-NH2 3.12Å
419L93.4Very high87.9Confident0 Ų061.7 Ų61.70%029%0.293CS..EExtended strand (participates in β ladder)trans-114.4130179.4-41.1176.1000108.7V394 Y404 L406 V429 M440V394-L419 HydrophobicContact CG1-CD1 3.93Å; Y404-L419 PolarHBondContact N-O 3.44Å; Y404-L419 PolarHBondContact O-N 2.75Å; L406-L419 HydrophobicContact CB-CD1 4.15Å; L406-L419 HydrophobicContact CB-CD2 4.06Å; L406-L419 HydrophobicContact CB-CG 4.32Å; L419-V429 HydrophobicContact CD2-CG1 4.41Å; L419-V429 HydrophobicContact CD2-CG2 3.52Å; L419-M440 HydrophobicContact CD1-CE 3.75Å; L419-M440 HydrophobicContact CD2-CE 3.8Å; L419-M440 HydrophobicContact CD2-SD 4.16Å; L419-M440 HydrophobicContact CG-CE 4.44Å
420S90.7Very high87.5Confident43 Ų4367 Ų6730%0.30132%0.319SS..EExtended strand (participates in β ladder)trans-109.3123.3169.2-64.70000109.1R428S420-R428 PolarHBondContact N-O 3.35Å; S420-R428 PolarHBondContact O-N 3.46Å
421L88.5Confident87Confident31 Ų3172.4 Ų72.416%0.16234%0.344CS..EExtended strand (participates in β ladder)trans-94.9145.6172.4-64.5-177.1000110.7T358 L362 Y404 Q426 C427 V437T358-L421 HydrophobicContact CG2-CD1 4.36Å; L362-L421 HydrophobicContact CD1-CD1 4.03Å; Y404-L421 HydrophobicContact CD2-CB 4.48Å; Y404-L421 HydrophobicContact CD2-CD1 3.6Å; Y404-L421 HydrophobicContact CD2-CG 3.85Å; Y404-L421 HydrophobicContact CE2-CB 4.48Å; Y404-L421 HydrophobicContact CE2-CD1 3.53Å; Y404-L421 HydrophobicContact CE2-CG 4.12Å; Y404-L421 HydrophobicContact CG-CD1 4.44Å; L421-Q426 WeakPolarHBondContact CA-O 3.48Å; L421-C427 HydrophobicContact CD2-CB 3.77Å; L421-V437 HydrophobicContact CD1-CG2 4.13Å; L421-V437 HydrophobicContact CD2-CG2 3.58Å; L421-V437 HydrophobicContact CG-CG2 4.43Å
422T83.6Confident87Confident46 Ų4669 Ų6928%0.28233%0.329SS..  trans-92.2163.3165.869.90000110.2R424 G425 Q426T422-R424 PolarHBondContact O-N 2.9Å; T422-R424 PolarHBondContact OG1-N 3.11Å; T422-G425 PolarHBondContact O-N 2.91Å; T422-Q426 HydrophobicContact CG2-CB 4.32Å; T422-Q426 PolarHBondContact N-O 2.84Å; T422-Q426 WeakPolarHBondContact OG1-CB 3.33Å; T422-Q426 PolarHBondContact OG1-N 3.48Å
423E74.9Confident87.3Confident183 Ų18373.6 Ų73.686%0.85535%0.345SS*.THydrogen-bonded Turntrans-54.7-19.4171.2-62.4170.2-178.900113.5
424R70.8Confident87.4Confident221 Ų22170.3 Ų70.383%0.83433%0.327SS*.THydrogen-bonded Turntrans-92.48.4177.3-57-174.6-178.2-162.7-0.5113.5T422 Q426T422-R424 PolarHBondContact O-N 2.9Å; T422-R424 PolarHBondContact OG1-N 3.11Å; R424-Q426 VanDerWaalsContact C-N 3.25Å; R424-Q426 HydrophobicContact CB-CG 4.43Å; R424-Q426 PolarHBondContact O-N 3.33Å
425G75Confident87.1Confident29 Ų2973.9 Ų73.930%0.29935%0.349SS..  trans79.5-6.8-179.100000115.7T422 C427T422-G425 PolarHBondContact O-N 2.91Å; G425-C427 PolarHBondContact O-N 3.42Å
426Q85.4Confident87Confident99 Ų9971.1 Ų71.146%0.46334%0.339SS..  trans-65133.6-177.8-58.4178.1-43.600111.4L421 T422 R424 P435L421-Q426 WeakPolarHBondContact CA-O 3.48Å; T422-Q426 HydrophobicContact CG2-CB 4.32Å; T422-Q426 PolarHBondContact N-O 2.84Å; T422-Q426 WeakPolarHBondContact OG1-CB 3.33Å; T422-Q426 PolarHBondContact OG1-N 3.48Å; R424-Q426 VanDerWaalsContact C-N 3.25Å; R424-Q426 HydrophobicContact CB-CG 4.43Å; R424-Q426 PolarHBondContact O-N 3.33Å; Q426-P435 WeakPolarHBondContact CA-O 3.18Å
427C91.4Very high86.9Confident0 Ų068.7 Ų68.70%033%0.328CS..EExtended strand (participates in β ladder)trans-101.9127.7-175.4-173.30000111.5L421 G425 F434 S436 V437 M440L421-C427 HydrophobicContact CD2-CB 3.77Å; G425-C427 PolarHBondContact O-N 3.42Å; C427-F434 HydrophobicContact CB-CB 4.37Å; C427-F434 PolarHBondContact N-O 3.39Å; C427-F434 PolarHBondContact O-N 3.22Å; C427-S436 WeakPolarHBondContact CB-O 3.26Å; C427-V437 HydrophobicContact CB-CG2 4.38Å; C427-M440 HydrophobicContact CB-CB 4.46Å
428R90.7Very high86.8Confident124 Ų12469 Ų6947%0.46833%0.33SS..EExtended strand (participates in β ladder)trans-117.9129.6179.3-57.9-177.569.2-160.81.5109.9S420 H433S420-R428 PolarHBondContact N-O 3.35Å; S420-R428 PolarHBondContact O-N 3.46Å; R428-H433 PolarHBondContact NE-CD2 2.85Å; R428-H433 VanDerWaalsContact NE-CD2 3.26Å; R428-H433 PolarHBondContact NE-NE2 3.07Å; R428-H433 PolarHBondContact NH2-NE2 3.45Å
429V90.4Very high86.7Confident2 Ų266 Ų661%0.01232%0.324CS..EExtended strand (participates in β ladder)trans-137.4105.1-172.8-176.30000109L417 L419 H431 L432 F434 M440 F444L417-V429 HydrophobicContact CD1-CG1 3.75Å; L417-V429 HydrophobicContact CD2-CG1 3.5Å; L417-V429 HydrophobicContact CG-CG1 3.57Å; L419-V429 HydrophobicContact CD2-CG1 4.41Å; L419-V429 HydrophobicContact CD2-CG2 3.52Å; V429-H431 PolarHBondContact O-N 3.47Å; V429-L432 PolarHBondContact N-O 3.19Å; V429-L432 WeakPolarHBondContact O-CB 3.23Å; V429-L432 PolarHBondContact O-N 2.94Å; V429-F434 HydrophobicContact CB-CE2 4.33Å; V429-F434 HydrophobicContact CG2-CD2 4.39Å; V429-F434 HydrophobicContact CG2-CE2 4.3Å; V429-M440 HydrophobicContact CG2-CG 3.7Å; V429-M440 HydrophobicContact CG2-SD 4.31Å; V429-F444 HydrophobicContact CG1-CE2 4.27Å; V429-F444 HydrophobicContact CG1-CZ 4.34Å
430Q85.8Confident86.7Confident113 Ų11366 Ų6653%0.52832%0.324SS..THydrogen-bonded Turntrans52.3-108.1-168.8-52.1174.71800111.4L417 P450L417-Q430 HydrophobicContact CD1-CG 4.26Å; Q430-P450 PolarHBondContact NE2-O 2.68Å
431H81.6Confident86.9Confident122 Ų12264 Ų6457%0.56531%0.309SS*.THydrogen-bonded Turntrans-99.8-8.8177.463.2-88.1000113.3V429 H433V429-H431 PolarHBondContact O-N 3.47Å; H431-H433 PolarHBondContact O-CE1 2.89Å; H431-H433 PolarHBondContact O-ND1 3.02Å
432L87.9Confident86.9Confident45 Ų4566.4 Ų66.424%0.23632%0.32CS..EExtended strand (participates in β ladder)trans-88.2146.2-179.2-58.4174.9000111.3V429 F434 F444 P450V429-L432 PolarHBondContact N-O 3.19Å; V429-L432 WeakPolarHBondContact O-CB 3.23Å; V429-L432 PolarHBondContact O-N 2.94Å; L432-F434 HydrophobicContact CB-CE2 3.63Å; L432-F434 HydrophobicContact CB-CZ 3.85Å; L432-F434 HydrophobicContact CD1-CE2 4.49Å; L432-F434 HydrophobicContact CD1-CZ 4.16Å; L432-F444 HydrophobicContact CD1-CE1 4.03Å; L432-F444 HydrophobicContact CD1-CZ 3.91Å; L432-P450 HydrophobicContact CD1-CG 4.14Å
433H91.1Very high87.2Confident115 Ų11567.3 Ų67.353%0.53232%0.321SS..EExtended strand (participates in β ladder)trans-133.6131.4-175.3-61.669.5000109.1R428 H431R428-H433 PolarHBondContact NE-CD2 2.85Å; R428-H433 VanDerWaalsContact NE-CD2 3.26Å; R428-H433 PolarHBondContact NE-NE2 3.07Å; R428-H433 PolarHBondContact NH2-NE2 3.45Å; H431-H433 PolarHBondContact O-CE1 2.89Å; H431-H433 PolarHBondContact O-ND1 3.02Å
434F91.1Very high88.1Confident25 Ų2558.7 Ų58.711%0.1128%0.28CS..EExtended strand (participates in β ladder)trans-132.8147.5-174.6-57.7-81.2000110.7C427 V429 L432 S436 D439 M440 H443 F444C427-F434 HydrophobicContact CB-CB 4.37Å; C427-F434 PolarHBondContact N-O 3.39Å; C427-F434 PolarHBondContact O-N 3.22Å; V429-F434 HydrophobicContact CB-CE2 4.33Å; V429-F434 HydrophobicContact CG2-CD2 4.39Å; V429-F434 HydrophobicContact CG2-CE2 4.3Å; L432-F434 HydrophobicContact CB-CE2 3.63Å; L432-F434 HydrophobicContact CB-CZ 3.85Å; L432-F434 HydrophobicContact CD1-CE2 4.49Å; L432-F434 HydrophobicContact CD1-CZ 4.16Å; F434-S436 VanDerWaalsContact C-N 3.25Å; F434-S436 PolarHBondContact O-N 3.23Å; F434-D439 HydrophobicContact CB-CB 4.31Å; F434-M440 HydrophobicContact CB-CB 3.94Å; F434-M440 HydrophobicContact CD1-CB 4.26Å; F434-M440 HydrophobicContact CD2-CB 3.53Å; F434-M440 HydrophobicContact CD2-CG 3.54Å; F434-M440 HydrophobicContact CE2-CB 4.05Å; F434-M440 HydrophobicContact CE2-CG 3.65Å; F434-M440 HydrophobicContact CG-CB 3.65Å; F434-M440 HydrophobicContact CG-CG 4.18Å; F434-M440 HydrophobicContact CZ-CG 4.39Å; F434-H443 HydrophobicContact CD1-CB 4.38Å; F434-H443 HydrophobicContact CE1-CB 3.67Å; F434-H443 AromaticContact CE1-CD2 3.59Å; F434-H443 AromaticContact CE1-CG 3.59Å; F434-H443 HydrophobicContact CZ-CB 4.33Å; F434-H443 AromaticContact CZ-CD2 3.55Å; F434-F444 HydrophobicContact CE2-CE2 4.4Å; F434-F444 HydrophobicContact CE2-CZ 4.35Å; F434-F444 HydrophobicContact CZ-CE2 4.48Å; F434-F444 HydrophobicContact CZ-CZ 4.22Å
435P87.2Confident89Confident91 Ų9150.5 Ų50.559%0.59125%0.251SS*.SBendtrans-61.5-31.6179.1-20.631.7000113.5Q426 D439Q426-P435 WeakPolarHBondContact CA-O 3.18Å; P435-D439 WeakPolarHBondContact CB-OD2 3.3Å
436S89.1Confident89.5Confident14 Ų1456.4 Ų56.410%0.09827%0.265CS..SBendtrans-148.7177.117674.30000112.9C427 F434 V438 D439 M440C427-S436 WeakPolarHBondContact CB-O 3.26Å; F434-S436 VanDerWaalsContact C-N 3.25Å; F434-S436 PolarHBondContact O-N 3.23Å; S436-V438 VanDerWaalsContact C-N 3.28Å; S436-V438 WeakPolarHBondContact OG-CB 3.4Å; S436-V438 PolarHBondContact OG-N 3.04Å; S436-V438 VanDerWaalsContact OG-N 3.12Å; S436-D439 VanDerWaalsContact CB-OD2 3.31Å; S436-D439 WeakPolarHBondContact CB-OD2 3.17Å; S436-D439 PolarHBondContact N-OD2 3.06Å; S436-D439 PolarHBondContact OG-N 2.93Å; S436-D439 PolarHBondContact OG-OD2 2.87Å; S436-M440 PolarHBondContact O-N 2.82Å
437V90.7Very high89.6Confident7 Ų753.8 Ų53.84%0.04226%0.258CS..Hα-helixtrans-62.8-36.8167-177.80000111.2L362 W367 L421 C427 D439 M440 L441L362-V437 HydrophobicContact CD2-CB 4.3Å; L362-V437 HydrophobicContact CD2-CG2 4.06Å; W367-V437 HydrophobicContact CH2-CB 4.07Å; W367-V437 HydrophobicContact CH2-CG1 3.46Å; W367-V437 VanDerWaalsContact CH2-CG1 3.46Å; W367-V437 HydrophobicContact CZ2-CG1 4.36Å; W367-V437 HydrophobicContact CZ3-CG1 3.74Å; L421-V437 HydrophobicContact CD1-CG2 4.13Å; L421-V437 HydrophobicContact CD2-CG2 3.58Å; L421-V437 HydrophobicContact CG-CG2 4.43Å; C427-V437 HydrophobicContact CB-CG2 4.38Å; V437-D439 PolarHBondContact O-N 2.87Å; V437-M440 HydrophobicContact CG1-CE 3.81Å; V437-M440 WeakPolarHBondContact O-CB 3.36Å; V437-M440 PolarHBondContact O-N 3.43Å; V437-L441 HydrophobicContact CG1-CD1 4.2Å; V437-L441 HydrophobicContact CG1-CG 4.31Å; V437-L441 WeakPolarHBondContact O-CG 3.36Å; V437-L441 PolarHBondContact O-N 2.97Å
438V90.2Very high89.4Confident18 Ų1856 Ų5611%0.10927%0.272CS..Hα-helixtrans-60.9-45.7-179.71530000111.1Y365 W367 S436 M440 L441 H442 L484Y365-V438 HydrophobicContact CD1-CG2 4.42Å; Y365-V438 HydrophobicContact CE1-CG2 3.78Å; W367-V438 HydrophobicContact CZ2-CG2 4.03Å; S436-V438 VanDerWaalsContact C-N 3.28Å; S436-V438 WeakPolarHBondContact OG-CB 3.4Å; S436-V438 PolarHBondContact OG-N 3.04Å; S436-V438 VanDerWaalsContact OG-N 3.12Å; V438-M440 VanDerWaalsContact C-N 3.35Å; V438-M440 PolarHBondContact O-N 3.37Å; V438-L441 PolarHBondContact O-N 3.27Å; V438-H442 VanDerWaalsContact O-CB 3.27Å; V438-H442 WeakPolarHBondContact O-CB 3.36Å; V438-H442 PolarHBondContact O-N 2.85Å; V438-L484 HydrophobicContact CB-CD1 4.07Å; V438-L484 HydrophobicContact CG1-CD1 3.75Å; V438-L484 HydrophobicContact CG2-CD1 3.77Å; V438-L484 HydrophobicContact CG2-CD2 4.36Å
439D90.7Very high89.3Confident58 Ų5850.3 Ų50.331%0.3125%0.251SS..Hα-helixtrans-65.4-38.8178-54.3-65.5000112.3F434 P435 S436 V437 H442 H443F434-D439 HydrophobicContact CB-CB 4.31Å; P435-D439 WeakPolarHBondContact CB-OD2 3.3Å; S436-D439 VanDerWaalsContact CB-OD2 3.31Å; S436-D439 WeakPolarHBondContact CB-OD2 3.17Å; S436-D439 PolarHBondContact N-OD2 3.06Å; S436-D439 PolarHBondContact OG-N 2.93Å; S436-D439 PolarHBondContact OG-OD2 2.87Å; V437-D439 PolarHBondContact O-N 2.87Å; D439-H442 PolarHBondContact O-N 3.3Å; D439-H443 WeakPolarHBondContact O-CB 3.5Å; D439-H443 PolarHBondContact O-N 3.49Å
440M94.7Very high88.7Confident0 Ų052.5 Ų52.50%027%0.265CS..Hα-helixtrans-62-45.5177179-82.6-58.400111.5L406 L419 C427 V429 F434 S436 V437 V438 F444L406-M440 HydrophobicContact CD2-SD 4.21Å; L419-M440 HydrophobicContact CD1-CE 3.75Å; L419-M440 HydrophobicContact CD2-CE 3.8Å; L419-M440 HydrophobicContact CD2-SD 4.16Å; L419-M440 HydrophobicContact CG-CE 4.44Å; C427-M440 HydrophobicContact CB-CB 4.46Å; V429-M440 HydrophobicContact CG2-CG 3.7Å; V429-M440 HydrophobicContact CG2-SD 4.31Å; F434-M440 HydrophobicContact CB-CB 3.94Å; F434-M440 HydrophobicContact CD1-CB 4.26Å; F434-M440 HydrophobicContact CD2-CB 3.53Å; F434-M440 HydrophobicContact CD2-CG 3.54Å; F434-M440 HydrophobicContact CE2-CB 4.05Å; F434-M440 HydrophobicContact CE2-CG 3.65Å; F434-M440 HydrophobicContact CG-CB 3.65Å; F434-M440 HydrophobicContact CG-CG 4.18Å; F434-M440 HydrophobicContact CZ-CG 4.39Å; S436-M440 PolarHBondContact O-N 2.82Å; V437-M440 HydrophobicContact CG1-CE 3.81Å; V437-M440 WeakPolarHBondContact O-CB 3.36Å; V437-M440 PolarHBondContact O-N 3.43Å; V438-M440 VanDerWaalsContact C-N 3.35Å; V438-M440 PolarHBondContact O-N 3.37Å; M440-F444 HydrophobicContact CG-CD2 4.12Å; M440-F444 HydrophobicContact CG-CE2 3.82Å; M440-F444 VanDerWaalsContact O-CD2 3.25Å; M440-F444 WeakPolarHBondContact O-CD2 3.27Å; M440-F444 PolarHBondContact O-N 3.26Å; M440-F444 VanDerWaalsContact O-N 3.14Å; M440-F444 HydrophobicContact SD-CD2 3.54Å; M440-F444 VanDerWaalsContact SD-CD2 3.54Å; M440-F444 HydrophobicContact SD-CE2 3.59Å; M440-F444 VanDerWaalsContact SD-CE2 3.59Å
441L93.5Very high88.2Confident0 Ų049.5 Ų49.50%025%0.252CS..Hα-helixtrans-64.1-47.8174.6-63.7176.5000111W367 F392 V394 L406 V437 V438 H443 F444 Q445 L461 F482W367-L441 HydrophobicContact CD2-CD1 3.73Å; W367-L441 HydrophobicContact CE3-CD1 3.99Å; W367-L441 HydrophobicContact CG-CD1 4.32Å; W367-L441 HydrophobicContact CH2-CD1 4.09Å; W367-L441 HydrophobicContact CZ2-CD1 3.8Å; W367-L441 HydrophobicContact CZ3-CD1 4.17Å; F392-L441 HydrophobicContact CD2-CD2 4.21Å; F392-L441 HydrophobicContact CE2-CD1 3.94Å; F392-L441 HydrophobicContact CE2-CD2 3.54Å; F392-L441 HydrophobicContact CE2-CG 4.29Å; F392-L441 HydrophobicContact CZ-CD1 4.3Å; F392-L441 HydrophobicContact CZ-CD2 4.02Å; V394-L441 HydrophobicContact CG2-CD1 4.48Å; V394-L441 HydrophobicContact CG2-CD2 4.29Å; L406-L441 HydrophobicContact CD1-CD2 3.93Å; L406-L441 HydrophobicContact CD2-CD2 4.32Å; V437-L441 HydrophobicContact CG1-CD1 4.2Å; V437-L441 HydrophobicContact CG1-CG 4.31Å; V437-L441 WeakPolarHBondContact O-CG 3.36Å; V437-L441 PolarHBondContact O-N 2.97Å; V438-L441 PolarHBondContact O-N 3.27Å; L441-H443 VanDerWaalsContact C-N 3.28Å; L441-H443 PolarHBondContact O-N 3.15Å; L441-F444 CarbonylContact O-C 3.59Å; L441-F444 PolarHBondContact O-N 3.09Å; L441-F444 VanDerWaalsContact O-N 3.13Å; L441-Q445 WeakPolarHBondContact O-CG 3.45Å; L441-Q445 PolarHBondContact O-N 3.22Å; L441-L461 HydrophobicContact CB-CD1 4.4Å; L441-L461 HydrophobicContact CD2-CD1 3.62Å; L441-F482 HydrophobicContact CB-CE1 4.46Å; L441-F482 HydrophobicContact CB-CZ 3.78Å; L441-F482 HydrophobicContact CD1-CE2 4.11Å; L441-F482 HydrophobicContact CD1-CZ 3.98Å
442H89.3Confident87.5Confident83 Ų8353.8 Ų53.838%0.38427%0.273SS..Hα-helixtrans-61-33.7-179.8-177.3-103.3000113.2V438 D439 R446V438-H442 VanDerWaalsContact O-CB 3.27Å; V438-H442 WeakPolarHBondContact O-CB 3.36Å; V438-H442 PolarHBondContact O-N 2.85Å; D439-H442 PolarHBondContact O-N 3.3Å; H442-R446 PolarHBondContact CD2-NH1 3.4Å; H442-R446 PolarHBondContact CE1-NH1 2.94Å; H442-R446 PolarHBondContact ND1-NH1 3.43Å; H442-R446 VanDerWaalsContact NE2-CZ 3.33Å; H442-R446 PolarHBondContact NE2-NH1 3.47Å; H442-R446 PolarHBondContact NE2-NH2 2.88Å; H442-R446 PolarHBondContact O-NH1 3.34Å
443H90.7Very high85.9Confident65 Ų6554.6 Ų54.630%0.30128%0.281SS..Hα-helixtrans-65.8-52.4170.6174.776.2000111.2F434 D439 L441 Q445 R446 S447F434-H443 HydrophobicContact CD1-CB 4.38Å; F434-H443 HydrophobicContact CE1-CB 3.67Å; F434-H443 AromaticContact CE1-CD2 3.59Å; F434-H443 AromaticContact CE1-CG 3.59Å; F434-H443 HydrophobicContact CZ-CB 4.33Å; F434-H443 AromaticContact CZ-CD2 3.55Å; D439-H443 WeakPolarHBondContact O-CB 3.5Å; D439-H443 PolarHBondContact O-N 3.49Å; L441-H443 VanDerWaalsContact C-N 3.28Å; L441-H443 PolarHBondContact O-N 3.15Å; H443-Q445 PolarHBondContact O-N 3.09Å; H443-Q445 VanDerWaalsContact O-N 3.13Å; H443-R446 PolarHBondContact O-N 3.41Å; H443-S447 PolarHBondContact CE1-OG 3.1Å; H443-S447 VanDerWaalsContact CE1-OG 3.27Å; H443-S447 PolarHBondContact O-N 3.37Å
444F92.8Very high84Confident1 Ų152.1 Ų52.10%0.00429%0.287CS..Hα-helixtrans-70.9-3.2-179-65.7-46.5000115.1L417 V429 L432 F434 M440 L441 S447 I449 R460 L461L417-F444 HydrophobicContact CD2-CE2 4Å; L417-F444 HydrophobicContact CD2-CZ 4.39Å; V429-F444 HydrophobicContact CG1-CE2 4.27Å; V429-F444 HydrophobicContact CG1-CZ 4.34Å; L432-F444 HydrophobicContact CD1-CE1 4.03Å; L432-F444 HydrophobicContact CD1-CZ 3.91Å; F434-F444 HydrophobicContact CE2-CE2 4.4Å; F434-F444 HydrophobicContact CE2-CZ 4.35Å; F434-F444 HydrophobicContact CZ-CE2 4.48Å; F434-F444 HydrophobicContact CZ-CZ 4.22Å; M440-F444 HydrophobicContact CG-CD2 4.12Å; M440-F444 HydrophobicContact CG-CE2 3.82Å; M440-F444 VanDerWaalsContact O-CD2 3.25Å; M440-F444 WeakPolarHBondContact O-CD2 3.27Å; M440-F444 PolarHBondContact O-N 3.26Å; M440-F444 VanDerWaalsContact O-N 3.14Å; M440-F444 HydrophobicContact SD-CD2 3.54Å; M440-F444 VanDerWaalsContact SD-CD2 3.54Å; M440-F444 HydrophobicContact SD-CE2 3.59Å; M440-F444 VanDerWaalsContact SD-CE2 3.59Å; L441-F444 CarbonylContact O-C 3.59Å; L441-F444 PolarHBondContact O-N 3.09Å; L441-F444 VanDerWaalsContact O-N 3.13Å; F444-S447 CarbonylContact C-O 3.59Å; F444-S447 VanDerWaalsContact CA-O 3.32Å; F444-S447 WeakPolarHBondContact CA-O 3.32Å; F444-I449 HydrophobicContact CB-CG1 3.91Å; F444-I449 HydrophobicContact CD1-CB 4.35Å; F444-I449 HydrophobicContact CD1-CG1 3.78Å; F444-I449 HydrophobicContact CD2-CG1 4.25Å; F444-I449 HydrophobicContact CE1-CG1 4.36Å; F444-I449 HydrophobicContact CG-CG1 3.74Å; F444-R460 CarbonylContact O-C 3.58Å; F444-R460 VanDerWaalsContact O-CA 3.28Å; F444-R460 WeakPolarHBondContact O-CA 3.25Å; F444-L461 HydrophobicContact CB-CD1 3.82Å; F444-L461 HydrophobicContact CB-CG 3.91Å; F444-L461 PolarHBondContact O-N 2.94Å
445Q89.5Confident81.7Confident49 Ų4956.7 Ų56.723%0.22933%0.329CS..THydrogen-bonded Turntrans-73.6-28163.3-65-162.9-86.600113.3L441 H443 R460 L461 F482L441-Q445 WeakPolarHBondContact O-CG 3.45Å; L441-Q445 PolarHBondContact O-N 3.22Å; H443-Q445 PolarHBondContact O-N 3.09Å; H443-Q445 VanDerWaalsContact O-N 3.13Å; Q445-R460 WeakPolarHBondContact O-CD 3.44Å; Q445-L461 HydrophobicContact CG-CB 4.29Å; Q445-F482 HydrophobicContact CG-CD1 4.15Å; Q445-F482 HydrophobicContact CG-CE1 4.33Å; Q445-F482 VanDerWaalsContact NE2-CD1 3.29Å; Q445-F482 PolarHBondContact NE2-O 2.85Å; Q445-F482 VanDerWaalsContact OE1-CD1 3.27Å
446R86.6Confident79.9Confident154 Ų15456.2 Ų56.258%0.58133%0.333SS*.THydrogen-bonded Turntrans-110.8-43.2-172.1-66.1177.5-17679.5-9.8111.9H442 H443 R460H442-R446 PolarHBondContact CD2-NH1 3.4Å; H442-R446 PolarHBondContact CE1-NH1 2.94Å; H442-R446 PolarHBondContact ND1-NH1 3.43Å; H442-R446 VanDerWaalsContact NE2-CZ 3.33Å; H442-R446 PolarHBondContact NE2-NH1 3.47Å; H442-R446 PolarHBondContact NE2-NH2 2.88Å; H442-R446 PolarHBondContact O-NH1 3.34Å; H443-R446 PolarHBondContact O-N 3.41Å; R446-R460 VanDerWaalsContact O-CD 3.26Å; R446-R460 WeakPolarHBondContact O-CD 3.27Å
447S86.7Confident78.4Confident44 Ų4456.7 Ų56.731%0.30834%0.336SS..SBendtrans-92138.7171.9-600000109.7H443 F444H443-S447 PolarHBondContact CE1-OG 3.1Å; H443-S447 VanDerWaalsContact CE1-OG 3.27Å; H443-S447 PolarHBondContact O-N 3.37Å; F444-S447 CarbonylContact C-O 3.59Å; F444-S447 VanDerWaalsContact CA-O 3.32Å; F444-S447 WeakPolarHBondContact CA-O 3.32Å
448P88.1Confident77.7Confident47 Ų4761 Ų6131%0.30536%0.359SS..PPolyproline II helixtrans-64.8149.3173.728.6-34.3000111.2D458 V459P448-D458 HydrophobicContact CB-CB 4Å; P448-V459 CarbonylContact C-O 3.6Å; P448-V459 WeakPolarHBondContact CA-O 3.4Å
449I87.3Confident77.6Confident3 Ų360.2 Ų60.22%0.01535%0.354CS..PPolyproline II helixtrans-69125.5173.1-59.7172000108.4L406 F408 L417 F444 L451 V459 L461L406-I449 HydrophobicContact CD2-CD1 4.47Å; F408-I449 HydrophobicContact CD1-CD1 4.09Å; F408-I449 HydrophobicContact CD2-CD1 4.22Å; F408-I449 HydrophobicContact CE1-CD1 3.84Å; F408-I449 HydrophobicContact CE2-CD1 4Å; F408-I449 HydrophobicContact CG-CD1 4.26Å; F408-I449 HydrophobicContact CZ-CD1 3.78Å; F408-I449 HydrophobicContact CZ-CG2 4.39Å; L417-I449 HydrophobicContact CD2-CG2 3.74Å; F444-I449 HydrophobicContact CB-CG1 3.91Å; F444-I449 HydrophobicContact CD1-CB 4.35Å; F444-I449 HydrophobicContact CD1-CG1 3.78Å; F444-I449 HydrophobicContact CD2-CG1 4.25Å; F444-I449 HydrophobicContact CE1-CG1 4.36Å; F444-I449 HydrophobicContact CG-CG1 3.74Å; I449-L451 HydrophobicContact CG2-CD2 4.02Å; I449-L451 HydrophobicContact CG2-CG 4.32Å; I449-L451 PolarHBondContact O-N 3.29Å; I449-V459 HydrophobicContact CB-CG1 4.09Å; I449-V459 PolarHBondContact N-O 2.99Å; I449-L461 HydrophobicContact CD1-CD2 3.9Å; I449-L461 HydrophobicContact CD1-CG 4.35Å
450P77.6Confident77.6Confident49 Ų4963.1 Ų63.132%0.31836%0.361SS..  trans-68.9107177.227.4-33.6000110.5Q430 L432Q430-P450 PolarHBondContact NE2-O 2.68Å; L432-P450 HydrophobicContact CD1-CG 4.14Å
451L76.3Confident77.6Confident50 Ų5063.3 Ų63.326%0.26236%0.362SS..  trans-112.4146174.7-62-177.5000110.2F408 F410 I449 C453 V459F408-L451 HydrophobicContact CE2-CD1 4.47Å; F408-L451 HydrophobicContact CZ-CD1 4.26Å; F408-L451 HydrophobicContact CZ-CD2 4.22Å; F410-L451 HydrophobicContact CD2-CD1 3.95Å; F410-L451 HydrophobicContact CE2-CD1 4.18Å; I449-L451 HydrophobicContact CG2-CD2 4.02Å; I449-L451 HydrophobicContact CG2-CG 4.32Å; I449-L451 PolarHBondContact O-N 3.29Å; L451-C453 HydrophobicContact CB-CB 4.36Å; L451-C453 PolarHBondContact O-N 2.77Å; L451-V459 HydrophobicContact CD1-CG1 3.76Å; L451-V459 HydrophobicContact CG-CG1 4.45Å
452E67Low77.4Confident212 Ų21266 Ų6699%0.99138%0.381SS*.SBendtrans-71.515.8175.7-58.1177.8158.200113.2
453C54.3Low77.3Confident62 Ų6263.1 Ų63.142%0.41937%0.37SS..SBendtrans-97.3121.3-179.3-158.60000108L451 C457L451-C453 HydrophobicContact CB-CB 4.36Å; L451-C453 PolarHBondContact O-N 2.77Å; C453-C457 VanDerWaalsContact C-SG 3.6Å; C453-C457 HydrophobicContact CB-CB 4Å; C453-C457 WeakPolarHBondContact CB-SG 3.46Å; C453-C457 WeakPolarHBondContact O-CB 3.45Å; C453-C457 PolarHBondContact O-SG 2.99Å; C453-C457 VanDerWaalsContact O-SG 3.34Å; C453-C457 PolarHBondContact SG-SG 2.81Å
454G51.6Low77.3Confident63 Ų6361.5 Ų61.565%0.64936%0.361SS*.THydrogen-bonded Turntrans-64.4140.8-156.400000116.4A456G454-A456 PolarHBondContact O-N 2.94Å
455A42.3Very low77Confident120 Ų12061.5 Ų61.599%0.99236%0.361SS*.THydrogen-bonded Turntrans55.4-20.6157.100000121.1
456A48.1Very low76.6Confident82 Ų8260.3 Ų60.368%0.67836%0.357SS*.THydrogen-bonded Turntrans-141.518.2-172.400000113.8G454 D458G454-A456 PolarHBondContact O-N 2.94Å; A456-D458 VanDerWaalsContact C-N 3.33Å; A456-D458 PolarHBondContact O-N 3.23Å
457C58.5Low75.6Confident23 Ų2355.3 Ų55.316%0.15534%0.343CS..  trans-94.347.7-169.3-67.90000113.7F410 C453 V459F410-C457 HydrophobicContact CE2-CB 3.96Å; F410-C457 HydrophobicContact CZ-CB 3.78Å; C453-C457 VanDerWaalsContact C-SG 3.6Å; C453-C457 HydrophobicContact CB-CB 4Å; C453-C457 WeakPolarHBondContact CB-SG 3.46Å; C453-C457 WeakPolarHBondContact O-CB 3.45Å; C453-C457 PolarHBondContact O-SG 2.99Å; C453-C457 VanDerWaalsContact O-SG 3.34Å; C453-C457 PolarHBondContact SG-SG 2.81Å; C457-V459 VanDerWaalsContact C-N 3.31Å; C457-V459 PolarHBondContact O-N 2.99Å
458D77.1Confident73.9Confident99 Ų9955.3 Ų55.353%0.52934%0.342SS..  trans-76.568.6-174-84.69.6000113.9P448 A456P448-D458 HydrophobicContact CB-CB 4Å; A456-D458 VanDerWaalsContact C-N 3.33Å; A456-D458 PolarHBondContact O-N 3.23Å
459V86.4Confident71.5Confident0 Ų058.4 Ų58.40%037%0.365CS..  trans-82122.3172.751.30000111.5H389 F408 F410 P448 I449 L451 C457H389-V459 WeakPolarHBondContact NE2-CA 3.24Å; H389-V459 WeakPolarHBondContact NE2-CB 3.21Å; F408-V459 HydrophobicContact CD2-CG2 3.92Å; F408-V459 HydrophobicContact CE2-CG1 3.93Å; F408-V459 HydrophobicContact CE2-CG2 3.86Å; F410-V459 HydrophobicContact CD2-CB 3.66Å; F410-V459 HydrophobicContact CD2-CG1 3.62Å; F410-V459 HydrophobicContact CD2-CG2 4.29Å; F410-V459 HydrophobicContact CE2-CB 3.98Å; F410-V459 HydrophobicContact CE2-CG1 3.93Å; P448-V459 CarbonylContact C-O 3.6Å; P448-V459 WeakPolarHBondContact CA-O 3.4Å; I449-V459 HydrophobicContact CB-CG1 4.09Å; I449-V459 PolarHBondContact N-O 2.99Å; L451-V459 HydrophobicContact CD1-CG1 3.76Å; L451-V459 HydrophobicContact CG-CG1 4.45Å; C457-V459 VanDerWaalsContact C-N 3.31Å; C457-V459 PolarHBondContact O-N 2.99Å
460R92.1Very high69Low120 Ų12062 Ų6245%0.45338%0.381SS..  trans-114149171.2-66.8-178.4-63.4-90-1.7109.9G390 F444 Q445 R446 S462G390-R460 VanDerWaalsContact CA-O 3.3Å; G390-R460 WeakPolarHBondContact CA-O 3.49Å; F444-R460 CarbonylContact O-C 3.58Å; F444-R460 VanDerWaalsContact O-CA 3.28Å; F444-R460 WeakPolarHBondContact O-CA 3.25Å; Q445-R460 WeakPolarHBondContact O-CD 3.44Å; R446-R460 VanDerWaalsContact O-CD 3.26Å; R446-R460 WeakPolarHBondContact O-CD 3.27Å; R460-S462 PolarHBondContact O-N 3.42Å
461L93.6Very high66.8Low4 Ų464.6 Ų64.62%0.02140%0.398CS..  trans-73.9120179.2-63-175000110.7F392 L406 F408 L441 F444 Q445 I449F392-L461 HydrophobicContact CB-CD2 4.04Å; F392-L461 HydrophobicContact CD1-CB 3.9Å; F392-L461 HydrophobicContact CD1-CD1 4.25Å; F392-L461 HydrophobicContact CD1-CD2 3.74Å; F392-L461 HydrophobicContact CD1-CG 4.18Å; F392-L461 HydrophobicContact CE1-CB 3.69Å; F392-L461 HydrophobicContact CE1-CD1 4.06Å; F392-L461 HydrophobicContact CE1-CD2 4.31Å; F392-L461 HydrophobicContact CE1-CG 4.24Å; F392-L461 HydrophobicContact CE2-CD1 4.37Å; F392-L461 HydrophobicContact CG-CD1 4.46Å; F392-L461 HydrophobicContact CG-CD2 3.93Å; F392-L461 HydrophobicContact CZ-CB 4.42Å; F392-L461 HydrophobicContact CZ-CD1 4.07Å; L406-L461 HydrophobicContact CD1-CD1 4.5Å; L406-L461 HydrophobicContact CD2-CD1 4.09Å; L406-L461 HydrophobicContact CD2-CD2 4.42Å; F408-L461 HydrophobicContact CB-CD2 4.23Å; L441-L461 HydrophobicContact CB-CD1 4.4Å; L441-L461 HydrophobicContact CD2-CD1 3.62Å; F444-L461 HydrophobicContact CB-CD1 3.82Å; F444-L461 HydrophobicContact CB-CG 3.91Å; F444-L461 PolarHBondContact O-N 2.94Å; Q445-L461 HydrophobicContact CG-CB 4.29Å; I449-L461 HydrophobicContact CD1-CD2 3.9Å; I449-L461 HydrophobicContact CD1-CG 4.35Å
462S89.1Confident65.4Low57 Ų5767 Ų6740%0.39942%0.417SS..  trans-106.4-54.5-168.954.40000112.9H389 G390 V391 R460H389-S462 PolarHBondContact O-OG 3.03Å; G390-S462 WeakPolarHBondContact CA-OG 3.43Å; G390-S462 PolarHBondContact O-N 3.28Å; G390-S462 VanDerWaalsContact O-N 3.09Å; G390-S462 PolarHBondContact O-OG 3.37Å; V391-S462 PolarHBondContact N-OG 3.25Å; R460-S462 PolarHBondContact O-N 3.42Å
463S87.3Confident64.2Low22 Ų2260.9 Ų60.915%0.15441%0.41CS..EExtended strand (participates in β ladder)trans-146.9164.6-178.756.80000110.7V391 F392 F480V391-S463 WeakPolarHBondContact CA-O 3.31Å; V391-S463 WeakPolarHBondContact CG2-OG 3.48Å; F392-S463 WeakPolarHBondContact CD1-O 3.21Å; F392-S463 PolarHBondContact N-O 3.33Å; F392-S463 VanDerWaalsContact N-O 3.07Å; S463-F480 WeakPolarHBondContact CA-O 3.39Å; S463-F480 WeakPolarHBondContact CB-O 3.39Å
464Y90.3Very high63.2Low31 Ų3161.2 Ų61.212%0.12241%0.413CS..EExtended strand (participates in β ladder)trans-121.1148.3-176.364.7-80.8000112.2P366 W367 F392 V466 L479 F480 F482P366-Y464 HydrophobicContact CB-CE2 3.83Å; P366-Y464 HydrophobicContact CG-CE2 3.59Å; W367-Y464 HydrophobicContact CB-CD2 3.77Å; W367-Y464 HydrophobicContact CB-CG 3.93Å; F392-Y464 VanDerWaalsContact O-CA 3.31Å; F392-Y464 WeakPolarHBondContact O-CA 3.48Å; Y464-V466 HydrophobicContact CD2-CG2 3.7Å; Y464-V466 HydrophobicContact CE2-CG2 3.4Å; Y464-L479 WeakPolarHBondContact O-CA 3.31Å; Y464-F480 HydrophobicContact CD1-CB 4.17Å; Y464-F480 VanDerWaalsContact CD1-O 3.24Å; Y464-F480 WeakPolarHBondContact CD1-O 3.44Å; Y464-F480 HydrophobicContact CD2-CB 4.41Å; Y464-F480 HydrophobicContact CE1-CB 3.58Å; Y464-F480 HydrophobicContact CE2-CB 3.83Å; Y464-F480 HydrophobicContact CE2-CG 4.48Å; Y464-F480 VanDerWaalsContact CZ-CB 3.4Å; Y464-F480 PolarHBondContact N-O 3.36Å; Y464-F480 PolarHBondContact O-N 2.9Å; Y464-F482 HydrophobicContact CD1-CB 4.05Å; Y464-F482 AromaticContact CD1-CD2 3.6Å; Y464-F482 HydrophobicContact CD1-CD2 3.6Å; Y464-F482 HydrophobicContact CD1-CG 4.25Å; Y464-F482 HydrophobicContact CE1-CD2 4.23Å; Y464-F482 HydrophobicContact CG-CD2 4.25Å
465V86.9Confident62.5Low0 Ų062.8 Ų62.80%041%0.413CS..EExtended strand (participates in β ladder)trans-77.1132.3176.6-174.50000109.8H369 L380 V381 V391 F392 L393 T477 L479H369-V465 PolarHBondContact NE2-O 3.5Å; L380-V465 HydrophobicContact CB-CG1 4.15Å; L380-V465 HydrophobicContact CD1-CG1 4.49Å; L380-V465 HydrophobicContact CD2-CG1 4.35Å; V381-V465 HydrophobicContact CG1-CG2 3.95Å; V391-V465 HydrophobicContact CG1-CG2 3.61Å; F392-V465 PolarHBondContact O-N 3.19Å; L393-V465 HydrophobicContact CB-CB 4.4Å; L393-V465 HydrophobicContact CD2-CB 4.25Å; L393-V465 HydrophobicContact CD2-CG2 4.27Å; V465-T477 HydrophobicContact CG1-CG2 3.39Å; V465-L479 HydrophobicContact CB-CD2 4.44Å; V465-L479 HydrophobicContact CG2-CD2 3.96Å
466V81.8Confident62.7Low25 Ų2560.6 Ų60.615%0.15239%0.385CS..EExtended strand (participates in β ladder)trans-120.4126.9163.7-177.90000109.1P366 Y464 V468 V478 F480P366-V466 HydrophobicContact CB-CG2 4.13Å; Y464-V466 HydrophobicContact CD2-CG2 3.7Å; Y464-V466 HydrophobicContact CE2-CG2 3.4Å; V466-V468 HydrophobicContact CG1-CG2 4.14Å; V466-V478 PolarHBondContact N-O 2.93Å; V466-V478 PolarHBondContact O-N 3.04Å; V466-F480 HydrophobicContact CB-CD2 3.78Å; V466-F480 HydrophobicContact CB-CE2 3.84Å; V466-F480 HydrophobicContact CG1-CE2 4.28Å; V466-F480 HydrophobicContact CG2-CD2 3.4Å; V466-F480 HydrophobicContact CG2-CE2 3.86Å; V466-F480 HydrophobicContact CG2-CG 4.22Å
467V64.7Low63Low48 Ų4858.7 Ų58.729%0.29137%0.365SS..EExtended strand (participates in β ladder)trans-94.1111.2172.4172.70000108.3L380L380-V467 HydrophobicContact CD1-CG2 3.79Å; L380-V467 HydrophobicContact CD2-CG2 3.86Å
468V52.3Low63.3Low45 Ų4560.4 Ų60.427%0.27337%0.374SS..EExtended strand (participates in β ladder)trans-95.2107.4175.7-176.90000108.9V466 Q470 N476 V478V466-V468 HydrophobicContact CG1-CG2 4.14Å; V468-Q470 PolarHBondContact O-N 2.83Å; V468-N476 PolarHBondContact N-O 3.23Å; V468-V478 HydrophobicContact CG2-CG2 4.43Å
469S37.8Very low62.7Low112 Ų11258.2 Ų58.278%0.78336%0.363SS*.EExtended strand (participates in β ladder)trans-65.6115.8174.4-60.40000110.6
470Q33.3Very low61.4Low79 Ų7961.2 Ų61.237%0.36938%0.375SS..PPolyproline II helixtrans-103.8162.1168.6-71.1-160.6300110.4V468V468-Q470 PolarHBondContact O-N 2.83Å
471P32.1Very low60Low102 Ų10260.1 Ų60.166%0.66238%0.384SS*.SBendtrans-51.9155.4171.219.6-33000112.6G473P471-G473 PolarHBondContact O-N 3.26Å
472P46.4Very low57.9Low102 Ų10260.7 Ų60.766%0.66239%0.386SS*.THydrogen-bonded Turntrans-63.2117.8-153.723-34.8000113.3
473G42.2Very low56Low83 Ų8361.4 Ų61.486%0.85639%0.392SS*.THydrogen-bonded Turntrans157.1-32.4173.800000114.7P471P471-G473 PolarHBondContact O-N 3.26Å
474S33.5Very low54.1Low68 Ų6862.4 Ų62.448%0.47640%0.395SS..  trans-140.3146.5177.9-171.40000112.6N476S474-N476 PolarHBondContact OG-OD1 3.04Å; S474-N476 VanDerWaalsContact OG-OD1 3.14Å
475C36.5Very low51.7Low96 Ų9663 Ų6365%0.64940%0.403SS*.EExtended strand (participates in β ladder)trans-119.291.3171.754.90000110.2T477C475-T477 PolarHBondContact O-N 3.37Å
476N46.4Very low49.4Very low75 Ų7570.6 Ų70.640%0.40144%0.438SS..EExtended strand (participates in β ladder)trans-73.6112.8178.1-70.2-6.5000109.5V468 S474V468-N476 PolarHBondContact N-O 3.23Å; S474-N476 PolarHBondContact OG-OD1 3.04Å; S474-N476 VanDerWaalsContact OG-OD1 3.14Å
477T54.5Low47.3Very low41 Ų4173.5 Ų73.525%0.25245%0.446SS..EExtended strand (participates in β ladder)trans-90.3121.6173.1-58.40000108.6L380 L383 V465 C475L380-T477 HydrophobicContact CD2-CG2 3.86Å; L380-T477 WeakPolarHBondContact CD2-OG1 3.48Å; L383-T477 HydrophobicContact CD1-CG2 3.67Å; V465-T477 HydrophobicContact CG1-CG2 3.39Å; C475-T477 PolarHBondContact O-N 3.37Å
478V64.6Low45.6Very low59 Ų5977 Ų7736%0.35846%0.463SS..EExtended strand (participates in β ladder)trans-114130.6-177.5-175.70000108.7V466 V468 F480V466-V478 PolarHBondContact N-O 2.93Å; V466-V478 PolarHBondContact O-N 3.04Å; V468-V478 HydrophobicContact CG2-CG2 4.43Å; V478-F480 HydrophobicContact CB-CD2 4.28Å; V478-F480 HydrophobicContact CB-CE2 3.8Å; V478-F480 HydrophobicContact CG1-CD2 3.89Å; V478-F480 HydrophobicContact CG1-CE2 3.47Å; V478-F480 VanDerWaalsContact CG1-CE2 3.47Å; V478-F480 HydrophobicContact CG1-CZ 4.06Å
479L65.2Low44.6Very low54 Ų5479 Ų7928%0.28348%0.479SS..EExtended strand (participates in β ladder)trans-89129.3171.9-59.1-172000109.5V391 Y464 V465V391-L479 HydrophobicContact CG1-CD1 4.35Å; V391-L479 HydrophobicContact CG1-CD2 3.7Å; V391-L479 HydrophobicContact CG2-CD1 3.8Å; Y464-L479 WeakPolarHBondContact O-CA 3.31Å; V465-L479 HydrophobicContact CB-CD2 4.44Å; V465-L479 HydrophobicContact CG2-CD2 3.96Å
480F59.4Low44.4Very low62 Ų6281.2 Ų81.227%0.27248%0.477SS..EExtended strand (participates in β ladder)trans-110.6137176.2-78.8-98.5000110.6S463 Y464 V466 V478 F482S463-F480 WeakPolarHBondContact CA-O 3.39Å; S463-F480 WeakPolarHBondContact CB-O 3.39Å; Y464-F480 HydrophobicContact CD1-CB 4.17Å; Y464-F480 VanDerWaalsContact CD1-O 3.24Å; Y464-F480 WeakPolarHBondContact CD1-O 3.44Å; Y464-F480 HydrophobicContact CD2-CB 4.41Å; Y464-F480 HydrophobicContact CE1-CB 3.58Å; Y464-F480 HydrophobicContact CE2-CB 3.83Å; Y464-F480 HydrophobicContact CE2-CG 4.48Å; Y464-F480 VanDerWaalsContact CZ-CB 3.4Å; Y464-F480 PolarHBondContact N-O 3.36Å; Y464-F480 PolarHBondContact O-N 2.9Å; V466-F480 HydrophobicContact CB-CD2 3.78Å; V466-F480 HydrophobicContact CB-CE2 3.84Å; V466-F480 HydrophobicContact CG1-CE2 4.28Å; V466-F480 HydrophobicContact CG2-CD2 3.4Å; V466-F480 HydrophobicContact CG2-CE2 3.86Å; V466-F480 HydrophobicContact CG2-CG 4.22Å; V478-F480 HydrophobicContact CB-CD2 4.28Å; V478-F480 HydrophobicContact CB-CE2 3.8Å; V478-F480 HydrophobicContact CG1-CD2 3.89Å; V478-F480 HydrophobicContact CG1-CE2 3.47Å; V478-F480 VanDerWaalsContact CG1-CE2 3.47Å; V478-F480 HydrophobicContact CG1-CZ 4.06Å; F480-F482 PolarHBondContact O-N 3.24Å
481P62.4Low44.3Very low98 Ų9884.2 Ų84.264%0.63650%0.495SS*.EExtended strand (participates in β ladder)trans-62.2134.4173.927.3-33.9000109.7S483P481-S483 PolarHBondContact O-N 3.48Å
482F49.2Very low44Very low15 Ų1582.8 Ų82.87%0.06650%0.499CS..  trans-79.296.3-173.5-168.5-85.9000111.9W367 F392 L441 Q445 Y464 F480 L484W367-F482 AromaticContact CD1-CE2 3.6Å; W367-F482 HydrophobicContact CG-CE2 4.26Å; W367-F482 AromaticContact NE1-CE2 3.96Å; F392-F482 AromaticContact CE1-CD2 3.87Å; F392-F482 HydrophobicContact CE1-CD2 3.87Å; F392-F482 HydrophobicContact CE1-CE2 4.26Å; F392-F482 HydrophobicContact CE1-CG 4.4Å; F392-F482 HydrophobicContact CE2-CD2 4.48Å; F392-F482 HydrophobicContact CE2-CE2 4.18Å; F392-F482 AromaticContact CZ-CD2 3.43Å; F392-F482 HydrophobicContact CZ-CD2 3.43Å; F392-F482 VanDerWaalsContact CZ-CD2 3.43Å; F392-F482 AromaticContact CZ-CE2 3.38Å; F392-F482 HydrophobicContact CZ-CE2 3.38Å; F392-F482 HydrophobicContact CZ-CG 4.28Å; F392-F482 HydrophobicContact CZ-CZ 4.14Å; L441-F482 HydrophobicContact CB-CE1 4.46Å; L441-F482 HydrophobicContact CB-CZ 3.78Å; L441-F482 HydrophobicContact CD1-CE2 4.11Å; L441-F482 HydrophobicContact CD1-CZ 3.98Å; Q445-F482 HydrophobicContact CG-CD1 4.15Å; Q445-F482 HydrophobicContact CG-CE1 4.33Å; Q445-F482 VanDerWaalsContact NE2-CD1 3.29Å; Q445-F482 PolarHBondContact NE2-O 2.85Å; Q445-F482 VanDerWaalsContact OE1-CD1 3.27Å; Y464-F482 HydrophobicContact CD1-CB 4.05Å; Y464-F482 AromaticContact CD1-CD2 3.6Å; Y464-F482 HydrophobicContact CD1-CD2 3.6Å; Y464-F482 HydrophobicContact CD1-CG 4.25Å; Y464-F482 HydrophobicContact CE1-CD2 4.23Å; Y464-F482 HydrophobicContact CG-CD2 4.25Å; F480-F482 PolarHBondContact O-N 3.24Å; F482-L484 HydrophobicContact CE1-CB 4.11Å; F482-L484 HydrophobicContact CE1-CD1 3.67Å; F482-L484 HydrophobicContact CE1-CG 3.76Å; F482-L484 HydrophobicContact CE2-CD1 4.22Å; F482-L484 HydrophobicContact CE2-CG 4.16Å; F482-L484 HydrophobicContact CZ-CB 4.37Å; F482-L484 HydrophobicContact CZ-CD1 3.27Å; F482-L484 HydrophobicContact CZ-CG 3.52Å
483S48.2Very low43.2Very low73 Ų7385 Ų8551%0.5151%0.505SS..  trans-121.493.4170.9-64.10000109.2P481P481-S483 PolarHBondContact O-N 3.48Å
484L49.3Very low43.1Very low43 Ų4385.7 Ų85.723%0.22549%0.494CS..  trans-78.7128.5173.9-98.1178.5000110.7Y365 V438 F482Y365-L484 HydrophobicContact CD1-CD2 3.96Å; Y365-L484 HydrophobicContact CE1-CD2 4Å; V438-L484 HydrophobicContact CB-CD1 4.07Å; V438-L484 HydrophobicContact CG1-CD1 3.75Å; V438-L484 HydrophobicContact CG2-CD1 3.77Å; V438-L484 HydrophobicContact CG2-CD2 4.36Å; F482-L484 HydrophobicContact CE1-CB 4.11Å; F482-L484 HydrophobicContact CE1-CD1 3.67Å; F482-L484 HydrophobicContact CE1-CG 3.76Å; F482-L484 HydrophobicContact CE2-CD1 4.22Å; F482-L484 HydrophobicContact CE2-CG 4.16Å; F482-L484 HydrophobicContact CZ-CB 4.37Å; F482-L484 HydrophobicContact CZ-CD1 3.27Å; F482-L484 HydrophobicContact CZ-CG 3.52Å
485P39.4Very low43Very low43 Ų4391.8 Ų91.828%0.27952%0.515SS..  trans-67.8140.5164.428.7-32.6000110.4W487P485-W487 PolarHBondContact O-N 2.97Å
486H37.4Very low42.6Very low159 Ų15995.4 Ų95.474%0.73653%0.527SS*.  trans-70.2106.2170.5-176-83.1000108.8D488H486-D488 IonicContact CE1-OD1 3Å; H486-D488 PolarHBondContact CE1-OD1 3.26Å; H486-D488 VanDerWaalsContact CE1-OD1 3.28Å; H486-D488 IonicContact CE1-OD2 2.76Å; H486-D488 PolarHBondContact CE1-OD2 3.45Å; H486-D488 IonicContact ND1-OD1 3.48Å; H486-D488 IonicContact ND1-OD2 3.74Å; H486-D488 PolarHBondContact ND1-OD2 2.89Å; H486-D488 VanDerWaalsContact ND1-OD2 3.11Å
487W38Very low41.6Very low87 Ų8798 Ų9833%0.3355%0.55SS.*  trans-101.8113.8176.568.9-72.8000108F361 Y365 P485 S489F361-W487 HydrophobicContact CE1-CH2 4.44Å; F361-W487 HydrophobicContact CE1-CZ2 4.45Å; F361-W487 HydrophobicContact CE2-CE3 4.33Å; F361-W487 AromaticContact CE2-CH2 3.53Å; F361-W487 HydrophobicContact CE2-CH2 3.53Å; F361-W487 HydrophobicContact CE2-CZ2 4.05Å; F361-W487 AromaticContact CE2-CZ3 3.69Å; F361-W487 HydrophobicContact CE2-CZ3 3.69Å; F361-W487 AromaticContact CZ-CH2 3.34Å; F361-W487 HydrophobicContact CZ-CH2 3.34Å; F361-W487 AromaticContact CZ-CZ2 3.44Å; F361-W487 HydrophobicContact CZ-CZ2 3.44Å; F361-W487 VanDerWaalsContact CZ-CZ2 3.44Å; F361-W487 AromaticContact CZ-CZ3 3.97Å; F361-W487 HydrophobicContact CZ-CZ3 3.97Å; Y365-W487 PolarHBondContact OH-NE1 2.96Å; P485-W487 PolarHBondContact O-N 2.97Å; W487-S489 WeakPolarHBondContact CH2-OG 3.27Å; W487-S489 WeakPolarHBondContact CZ2-OG 3.39Å; W487-S489 VanDerWaalsContact CZ3-OG 3.3Å; W487-S489 WeakPolarHBondContact CZ3-OG 3.5Å; W487-S489 PolarHBondContact O-N 3.43Å
488D28.6Very low40.2Very low120 Ų120101.9 Ų101.964%0.64258%0.579SS**  trans-70.2127.6-179.8-78.4-83.8000110.9H486 E490H486-D488 IonicContact CE1-OD1 3Å; H486-D488 PolarHBondContact CE1-OD1 3.26Å; H486-D488 VanDerWaalsContact CE1-OD1 3.28Å; H486-D488 IonicContact CE1-OD2 2.76Å; H486-D488 PolarHBondContact CE1-OD2 3.45Å; H486-D488 IonicContact ND1-OD1 3.48Å; H486-D488 IonicContact ND1-OD2 3.74Å; H486-D488 PolarHBondContact ND1-OD2 2.89Å; H486-D488 VanDerWaalsContact ND1-OD2 3.11Å; D488-E490 PolarHBondContact O-N 3.33Å; D488-E490 VanDerWaalsContact O-N 3.08Å
489S32.6Very low38.5Very low89 Ų89105.1 Ų105.162%0.62260%0.604SS**  trans-85.948.7-175.5-65.60000113.1W487W487-S489 WeakPolarHBondContact CH2-OG 3.27Å; W487-S489 WeakPolarHBondContact CZ2-OG 3.39Å; W487-S489 VanDerWaalsContact CZ3-OG 3.3Å; W487-S489 WeakPolarHBondContact CZ3-OG 3.5Å; W487-S489 PolarHBondContact O-N 3.43Å
490E32.8Very low36.6Very low158 Ų158106 Ų10674%0.73863%0.627SS**  trans-142.1140.5178.4-86.6-149.9162.700109.9D488D488-E490 PolarHBondContact O-N 3.33Å; D488-E490 VanDerWaalsContact O-N 3.08Å
491L31.6Very low35.1Very low141 Ų141109.2 Ų109.274%0.73866%0.655SS**  cis-148.1162.519.9-113.4156.2000112.9
492G26.1Very low33.8Very low73 Ų73110.1 Ų110.175%0.75366%0.662SS**SBendtrans-121.324.617900000115.9
493L28.5Very low33Very low148 Ų148121.3 Ų121.378%0.77570%0.703SS**  trans67.9173.4172.3-54177000115.2
494P41.4Very low31.9Very low98 Ų98120.9 Ų120.964%0.63671%0.71SS**  -139.3126.6-81.838-19.4000115.1
495H30.6Very low30.9Very low196 Ų196127.5 Ų127.591%0.90775%0.745SS**  trans-136.7147.9165.6-74.2-65.4000113.4
496L28.2Very low30.2Very low172 Ų172130.5 Ų130.590%0.90177%0.767SS**  trans-84.8133.9-166.2-64.7158.1000112.8
497S25.2Very low30.4Very low128 Ų128128 Ų12890%0.89577%0.765SS**  179.8148.1125.8-800000111.1
498S26.1Very low30Very low124 Ų124133.3 Ų133.387%0.86779%0.793SS**  trans-138.9123.6-179.4179.40000112.2
499S28.4Very low29.8Very low126 Ų126130.9 Ų130.988%0.88180%0.796SS**  trans-172.1137.8161.652.90000109.1
500G25.9Very low29.5Very low73 Ų73134.8 Ų134.875%0.75381%0.809SS**  cis177.8145.4-10.700000110.7
501C27.8Very low30Very low129 Ų129133.2 Ų133.287%0.87281%0.813SS**  trans-93.1155.9-179.4-55.10000112.8
502P35.6Very low29.7Very low118 Ų118130.3 Ų130.377%0.76682%0.817SS**  -121.5144.4118.4-1.322.5000111
503R31.6Very low29.7Very low250 Ų250138.2 Ų138.294%0.94382%0.824SS**  71.5122.551.6-161.6-169.8-156.6-159.97.3111.3
504G25Very low29.5Very low63 Ų63136.2 Ų136.265%0.64982%0.823SS**  cis167-166.6-1.100000108.8
505L28.9Very low28.8Very low183 Ų183136.8 Ų136.896%0.95883%0.829SS**  trans169.8156140-93.8167.4000113.4
506S23.9Very low29.3Very low105 Ų105132.9 Ų132.973%0.73482%0.821SS**  trans-162144.1171.3176.10000109.1
507P41Very low29.9Very low108 Ų108130.3 Ų130.370%0.70181%0.814SS**  trans-146.3167.9132.139.1-24.8000112.5
508E29.4Very low30.1Very low198 Ų198132.9 Ų132.993%0.92581%0.812SS**  cis-163.2177.5-15.5-115.1-172.982.800109.2
509G25.9Very low30.2Very low68 Ų68135.3 Ų135.370%0.70181%0.81SS**  trans147126.7164.300000116.7
510L26.7Very low30.3Very low172 Ų172135.6 Ų135.690%0.90180%0.8SS**  trans-151.6175.2179.2-78.8177.3000109.3
511P42.6Very low30.3Very low125 Ų125140.3 Ų140.381%0.81280%0.8SS**  cis-128.1178.4-14.829.3-8.1000113.9
512G24.8Very low30.6Very low80 Ų80141.8 Ų141.883%0.82579%0.794SS**  trans-174.554.9179.500000121.7
513R25.5Very low30.4Very low238 Ų238144.4 Ų144.490%0.89880%0.801SS**  trans7.8136.3158.6-148.9-170.8-172.5-166.50.8122.8
514S24.9Very low30.8Very low107 Ų107138.4 Ų138.475%0.74879%0.791SS**  trans73.2131.8146.746.10000123.6
515S26.2Very low31.4Very low110 Ų110140.2 Ų140.277%0.76979%0.792SS**  trans-109.6-175.1157.459.30000109.3
516P42.6Very low31.8Very low114 Ų114134.7 Ų134.774%0.7477%0.768SS**  cis-126.6-153.3247-29.7000111.2
517P39.4Very low32.8Very low117 Ų117135.3 Ų135.376%0.7677%0.77SS**  cis-128.7-157.3-942.7-23.4000114.8
518E29.5Very low32.9Very low182 Ų182137.5 Ų137.585%0.8577%0.771SS**  trans-59.1150.9-168.7-52.3163.5116.200117.5
519Q28.6Very low33.5Very low175 Ų175134.9 Ų134.982%0.81876%0.759SS**  -174.8125.5122.4-100.8-177.71.500115
520I29.6Very low34.2Very low132 Ų132139.4 Ų139.468%0.67777%0.766SS**  trans60.2108130.8-58.2173.7000121.2
521F27.3Very low34.9Very low173 Ų173134.5 Ų134.576%0.75975%0.75SS**  trans64.2127.6147.1-73.3-50.9000125.6
522H32.8Very low34.6Very low159 Ų159135 Ų13574%0.73675%0.746SS**  trans61.8126.3146.2-59.6-51.6000122
523L32.7Very low35Very low173 Ų173136.5 Ų136.591%0.90674%0.744SS**  -161.6162.2114.1-106.6165000111.4
524V39.1Very low35.7Very low124 Ų124132.5 Ų132.575%0.75274%0.739SS**  trans-115.4141.2178.5178.50000108.4
525P38.5Very low36.2Very low102 Ų102137.2 Ų137.266%0.66274%0.741SS**  trans-59.9153.5176.4-24.135000113.5
526S37.6Very low36.3Very low66 Ų66140.9 Ų140.946%0.46275%0.745SS.*  trans-85.5163.6-175.979.40000112.8E528S526-E528 PolarHBondContact O-N 3.12Å; S526-E528 VanDerWaalsContact O-N 3.12Å
527P44.6Very low35.6Very low119 Ų119143.4 Ų143.477%0.77375%0.752SS**THydrogen-bonded Turntrans-68.5-8.8-175.3-21.634.8000115.9
528E42.6Very low35.1Very low153 Ų153146 Ų14672%0.71575%0.754SS**THydrogen-bonded Turntrans-88.4-24.9-166.6-62.8179.7-176.800113.2S526 L530 A531S526-E528 PolarHBondContact O-N 3.12Å; S526-E528 VanDerWaalsContact O-N 3.12Å; E528-L530 VanDerWaalsContact C-N 3.27Å; E528-L530 PolarHBondContact O-N 3.2Å; E528-A531 PolarHBondContact O-N 3.23Å
529E41.8Very low35.2Very low144 Ų144143.2 Ų143.267%0.67375%0.751SS**G310 helixtrans-71.1-21-178-60.4-174.3130.100113.1A531E529-A531 VanDerWaalsContact C-N 3.33Å; E529-A531 PolarHBondContact O-N 2.96Å
530L41.7Very low35.2Very low162 Ų162142.2 Ų142.285%0.84875%0.747SS**G310 helixtrans-76.8-13178.4-98.4164.5000114.3E528E528-L530 VanDerWaalsContact C-N 3.27Å; E528-L530 PolarHBondContact O-N 3.2Å
531A39.8Very low36Very low69 Ų69140.1 Ų140.157%0.5774%0.742SS**G310 helixtrans-84.9-18.2-169.800000115.2E528 E529E528-A531 PolarHBondContact O-N 3.23Å; E529-A531 VanDerWaalsContact C-N 3.33Å; E529-A531 PolarHBondContact O-N 2.96Å
532N36.6Very low36Very low136 Ų136138.9 Ų138.973%0.72775%0.748SS**SBendtrans-96.8-4.3-161.9-77.4-39.6000116.6
533S33.8Very low35.9Very low112 Ų112138 Ų13878%0.78375%0.749SS**SBendtrans-9914.3-174.5-620000115.6
534L39Very low35.7Very low153 Ų153141.7 Ų141.780%0.80175%0.751SS**SBendtrans-13365178.9-74.6174.7000112.8
535R35.7Very low35.3Very low207 Ų207140.3 Ų140.378%0.78175%0.753SS**  trans-167149.6159.833.9-149.162.8-177-5.6111.4
536H29.1Very low35Very low186 Ų186146.6 Ų146.686%0.86176%0.763SS**  trans74.4125.1-149.7-50.689.8000111.6
537L27.6Very low34.6Very low168 Ų168149.7 Ų149.788%0.8877%0.774SS**  cis-127.5133.215.5-67.9161.9000112.6
538E28.7Very low33.9Very low171 Ų171149.6 Ų149.680%0.79978%0.776SS**  trans-159.9144.4159.5-172.5170-135.700110
539P32.4Very low33.4Very low123 Ų123149.6 Ų149.680%0.79978%0.781SS**  trans-139.9100.1151.932.9-14.4000113.8
540E28.4Very low33.1Very low154 Ų154153.8 Ų153.872%0.7279%0.793SS**  27.5156.6115.6-83.7-70.182.900121.5
541P46Very low32.8Very low89 Ų89154.8 Ų154.858%0.57879%0.793SS**  -132.4-172.7-115.245-29.2000114.6
542V27.5Very low32.5Very low146 Ų146160.2 Ų160.289%0.88581%0.809SS**  trans-134.5138.3166.6179.60000111.6
543N29.8Very low32.2Very low141 Ų141160.3 Ų160.375%0.75481%0.809SS**  trans-84.5144.3-178.8-79.8-101.3000113.3
544R29.7Very low32.1Very low251 Ų251160.2 Ų160.295%0.94781%0.808SS**  -177.4156.5112.8-103.6173.5172.5155.20.1113.9
545A29.7Very low31.7Very low95 Ų95158 Ų15879%0.78581%0.806SS**  trans-97.9154.6178.800000112.8
546R32.9Very low31.5Very low233 Ų233153.8 Ų153.888%0.87981%0.808SS**  -168.6172.1120.2-118.4-164.7161.8136.21.8115
547D28.7Very low31.8Very low131 Ų131157 Ų15770%0.70181%0.813SS**  trans-63.5150.2-171.9-34.6-72.2000115.4
548S30.2Very low32Very low117 Ų117154.8 Ų154.882%0.81881%0.811SS**  trans-165.9115.514461.70000111.7
549D33.1Very low32.4Very low153 Ų153153.3 Ų153.382%0.81880%0.804SS**  trans-77.9151.9165.8-58-71.7000112.1
550Y34.4Very low32.7Very low233 Ų233155.9 Ų155.991%0.91481%0.81SS**  trans-163.5122.7146.3-126.6-84.4000111.6
551E35.9Very low33.1Very low182 Ų182158.1 Ų158.185%0.8581%0.812SS**  trans-84.8152.4165.7-66.9-179.498.600110.9
552M33.3Very low32.5Very low184 Ų184158.7 Ų158.791%0.90682%0.824SS**  176.6146.2112.5-167.1161.5-165.900112.8
553D29.5Very low33.1Very low138 Ų138158.7 Ų158.774%0.73882%0.817SS**  trans-50.7153.9171.8-76.3-71.3000115.5
554S32.7Very low33.6Very low109 Ų109157.8 Ų157.876%0.76281%0.813SS**  -176.414567.137.50000117
555S30.9Very low33.8Very low107 Ų107152.5 Ų152.575%0.74880%0.803SS**  trans21.5121.6147.6-510000121.5
556S31.3Very low34.4Very low118 Ų118155.5 Ų155.583%0.82580%0.801SS**  173.4120.791.544.40000114.1
557R34.2Very low34.4Very low255 Ų255155.2 Ų155.296%0.96280%0.801SS**  trans-144.2120.9160.5-100-172.4175.2-179.2-1.3111.1H559R557-H559 PolarHBondContact O-N 3.14Å
558S33.6Very low34.6Very low121 Ų121155.4 Ų155.485%0.84681%0.807SS**  trans-87.5105.4-176.855.20000112.7
559H37.1Very low35.4Very low140 Ų140155.3 Ų155.365%0.64880%0.804SS**  43.2109.8127.5-164.7-104.1000119.2R557R557-H559 PolarHBondContact O-N 3.14Å
560L37.8Very low35.8Very low176 Ų176160.1 Ų160.192%0.92183%0.828SS**  trans-148.3145.9140.4-105.9170.2000108.9
561R36.8Very low35.9Very low202 Ų202156.5 Ų156.576%0.76282%0.824SS**  trans-96.8140.4-164.3-64.3-179.5-179.5-178.9-3.4113.5
562A33.5Very low35.9Very low100 Ų100155.1 Ų155.183%0.82682%0.823SS**  trans-85.4154.7146.200000109.5
563I40.9Very low36Very low146 Ų146153.5 Ų153.575%0.74982%0.818SS**  trans-106.2112.5-177-58.5174.6000109.1
564D39.1Very low36.4Very low123 Ų123154.4 Ų154.466%0.65882%0.823SS**  trans-75.3143.7160.5-179.743.6000109.8Q566D564-Q566 WeakPolarHBondContact OD2-CG 3.47Å; D564-Q566 PolarHBondContact OD2-NE2 3.22Å
565N34.6Very low36.6Very low139 Ų139157.3 Ų157.374%0.74383%0.827SS**  trans-132.994.2-177.5-99.3-22.1000110Y567N565-Y567 PolarHBondContact O-N 3.46Å
566Q42.4Very low37Very low159 Ų159160.6 Ų160.674%0.74383%0.832SS**  trans-76.398.2178.3-61.7170.48.400110.8D564D564-Q566 WeakPolarHBondContact OD2-CG 3.47Å; D564-Q566 PolarHBondContact OD2-NE2 3.22Å
567Y31.7Very low37.4Very low226 Ų226163.6 Ų163.689%0.88683%0.832SS**  trans-150.285.6159.8-91.3-65.2000111.4N565N565-Y567 PolarHBondContact O-N 3.46Å
568T33.3Very low37.7Very low135 Ų135156.6 Ų156.683%0.82882%0.822SS**  trans-120.8112.3164-51.20000107.2
569P48.3Very low38Very low115 Ų115159.6 Ų159.675%0.74782%0.82SS**  trans-70148163.931.3-32.4000109.6
570L40.7Very low38.1Very low254 Ų254161.4 Ų161.4100%1.3384%0.836SS**  trans-72.30172.1-67.5166.3000111.3

Retrieved 570 of 570 residues in 185.6 ms (Link to these results)