A0A096MUG3_PAPAN Loading...

Tudor domain containing 10

AlphaFold DB , UniProt , Accession A0A096MUG3, Species PAPAN (Papio anubis, Olive baboon), Gene TDRD10, Length 366 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
1M32.8Very low26.4Very low247 Ų247157.2 Ų157.2100%1.21786%0.86SS**  0104.80-63.8-174.1-165.100106.8
2S22.6Very low26.6Very low108 Ų108151.8 Ų151.876%0.75585%0.852SS**  trans-70.8161.2168.533.30000109.7
3W22.7Very low26.7Very low262 Ų262156.8 Ų156.899%0.99286%0.859SS**  trans-166.2146.2135.5-99.427.9000110.6
4N22.2Very low26.8Very low168 Ų168156.4 Ų156.490%0.89885%0.854SS**  trans-104.5164-155.9-117.9-13.5000113
5S26Very low26.8Very low98 Ų98159.7 Ų159.769%0.68586%0.858SS**  trans-44.2156.6172.4-177.50000117.8
6S27Very low26.8Very low121 Ų121154.4 Ų154.485%0.84685%0.852SS**  trans-161117.1133.1-69.80000111.9
7D28.7Very low27Very low144 Ų144156.7 Ų156.777%0.7785%0.851SS**  trans-73.7168.6155.6-95.7-37.8000110.6
8P29.3Very low27Very low131 Ų131156.9 Ų156.985%0.85185%0.852SS**  -136.8138112.828-11.7000114.8
9Q26.2Very low27.1Very low175 Ų175152.3 Ų152.382%0.81884%0.844SS**  trans-96.5147.5171.1-166.8-171.832.500110.4
10L24.6Very low27.1Very low166 Ų166151.3 Ų151.387%0.86984%0.842SS**  trans163.7134.8141.2-90.6150000108.5
11S27.9Very low27.2Very low109 Ų109152.5 Ų152.576%0.76285%0.846SS**  cis-161.1145.228.450.60000111.8
12A28.7Very low26.9Very low92 Ų92148.7 Ų148.776%0.7683%0.825SS**  trans-95.7147.316500000110.1
13K28.4Very low27.3Very low218 Ų218151.6 Ų151.695%0.94883%0.827SS**  trans-129.8128.7154.5-92.8-176.1178.1177.80109.5
14L27.9Very low27.6Very low151 Ų151148.3 Ų148.379%0.79182%0.823SS**  trans-94.6171.8-177.9-89.4155.1000112.6
15F27Very low28Very low206 Ų206148.8 Ų148.890%0.90482%0.817SS**  trans99129.5165.6-65.5-82000115.5
16G26.2Very low28.3Very low74 Ų74149.4 Ų149.476%0.76382%0.821SS**  cis-154.9179.923.900000115.8
17K31.3Very low28.6Very low194 Ų194149.5 Ų149.584%0.84382%0.819SS**  trans-76.9161-167.2-76.9174167174.90115.7
18N26.7Very low29Very low160 Ų160146.2 Ų146.286%0.85682%0.819SS**  trans96.1122151.8-61.8-18000118.9
19G28.4Very low29.7Very low69 Ų69146 Ų14671%0.71181%0.805SS**  trans117.2109.1135.600000117.5
20V27.1Very low30.7Very low132 Ų132146.8 Ų146.880%0.881%0.806SS**  trans68.6111.5153.7-167.60000116.9E22V20-E22 VanDerWaalsContact C-N 3.34Å; V20-E22 HydrophobicContact CG1-CG 4.22Å; V20-E22 PolarHBondContact O-N 3.45Å
21L28.7Very low32.1Very low178 Ų178146 Ų14693%0.93280%0.795SS**  trans-75.886.8168-134.6137.5000107.5E23L21-E23 PolarHBondContact O-N 3.01Å
22E28.2Very low33.8Very low166 Ų166148.1 Ų148.178%0.77679%0.787SS**  trans-70.7120.7167.6-80.2-156155.500109.7V20 Q24V20-E22 VanDerWaalsContact C-N 3.34Å; V20-E22 HydrophobicContact CG1-CG 4.22Å; V20-E22 PolarHBondContact O-N 3.45Å; E22-Q24 PolarHBondContact O-N 3.19Å
23E29.9Very low35.8Very low169 Ų169149.5 Ų149.579%0.7978%0.777SS**  trans-51.3103.7167.1-167.6179.5-160.300109.9L21 K25L21-E23 PolarHBondContact O-N 3.01Å; E23-K25 VanDerWaalsContact C-N 3.29Å; E23-K25 PolarHBondContact O-N 2.84Å
24Q29.7Very low38.4Very low194 Ų194140.7 Ų140.791%0.90774%0.742SS**  trans-69.489.8173.6-76-164.9-6.100109.9E22 S26E22-Q24 PolarHBondContact O-N 3.19Å; Q24-S26 PolarHBondContact O-N 3.4Å
25K29.7Very low41.3Very low178 Ų178134.2 Ų134.277%0.77471%0.707SS**PPolyproline II helixtrans-53.8126.6160.1-82.2173.6176.1166.60109.6E23E23-K25 VanDerWaalsContact C-N 3.29Å; E23-K25 PolarHBondContact O-N 2.84Å
26S32.3Very low44.3Very low111 Ų111124.4 Ų124.478%0.77666%0.664SS**PPolyproline II helixtrans-57.7134170.936.20000111Q24 G28Q24-S26 PolarHBondContact O-N 3.4Å; S26-G28 PolarHBondContact O-N 3.06Å
27P33.7Very low47.5Very low123 Ų123124.2 Ų124.280%0.79964%0.641SS**PPolyproline II helixtrans-72.1128.6-17727.9-31.2000110.1F29P27-F29 PolarHBondContact O-N 3.05Å
28G37Very low50.4Low75 Ų75115 Ų11577%0.77360%0.601SS**PPolyproline II helixtrans-57124179.100000112.7S26 K30S26-G28 PolarHBondContact O-N 3.06Å; G28-K30 PolarHBondContact O-N 3.01Å
29F44.5Very low53.5Low127 Ų127107.3 Ų107.356%0.55756%0.56SS**  trans-72.1108.2-176.5-146.3-95.2000110.7P27 K31P27-F29 PolarHBondContact O-N 3.05Å; F29-K31 PolarHBondContact O-N 2.95Å
30K47.4Very low56.4Low190 Ų190107 Ų10783%0.82654%0.542SS*.  trans-78.9107.3169.2-69.4-175.9-179.8179.60108.4G28 R32G28-K30 PolarHBondContact O-N 3.01Å; K30-R32 PolarHBondContact O-N 3.41Å
31K53.8Low59.5Low150 Ų150100.7 Ų100.765%0.65250%0.504SS*.  trans-54.5125172.6-73.2-177.1176.6-174.40110.2F29F29-K31 PolarHBondContact O-N 2.95Å
32R64.2Low62.2Low154 Ų15492.4 Ų92.458%0.58146%0.461SS*.  trans-96.4141.7179.4-57.3-176.9-180-162.7-0.2109.7K30 T34 E35 D76K30-R32 PolarHBondContact O-N 3.41Å; R32-T34 PolarHBondContact O-N 2.88Å; R32-E35 HydrophobicContact CB-CG 4.17Å; R32-E35 PolarHBondContact N-OE2 2.76Å; R32-E35 PolarHBondContact O-N 3.24Å; R32-D76 WeakPolarHBondContact CD-OD2 3.31Å; R32-D76 IonicContact CZ-OD2 3.85Å; R32-D76 IonicContact NE-OD2 3.91Å; R32-D76 IonicContact NH1-OD2 3.87Å; R32-D76 PolarHBondContact NH1-OD2 2.79Å
33E69.3Low65Low121 Ų12186.6 Ų86.657%0.56544%0.435SS*.THydrogen-bonded Turntrans-67.9-14177.7-59.2-167.8141.900112.5M80 R106E33-M80 HydrophobicContact CB-CE 3.9Å; E33-M80 WeakPolarHBondContact O-CE 3.38Å; E33-R106 IonicContact OE1-CZ 3.94Å; E33-R106 IonicContact OE1-NH2 2.7Å; E33-R106 PolarHBondContact OE1-NH2 3.06Å
34T83.3Confident67.7Low33 Ų3384.8 Ų84.820%0.20243%0.431CS..THydrogen-bonded Turntrans-946.3-179.954.10000113.7R32 D76 L77 V83R32-T34 PolarHBondContact O-N 2.88Å; T34-D76 VanDerWaalsContact CB-OD1 3.23Å; T34-D76 WeakPolarHBondContact CB-OD1 3.29Å; T34-D76 PolarHBondContact OG1-OD1 2.99Å; T34-L77 PolarHBondContact O-N 3.24Å; T34-V83 VanDerWaalsContact O-CG2 3.32Å; T34-V83 WeakPolarHBondContact O-CG2 3.24Å
35E88.8Confident70.6Confident14 Ų1475.7 Ų75.77%0.06539%0.388CS..EExtended strand (participates in β ladder)trans-87131.4177-79.2175.3102.600112.9R32 F74 V75 D76 S105R32-E35 HydrophobicContact CB-CG 4.17Å; R32-E35 PolarHBondContact N-OE2 2.76Å; R32-E35 PolarHBondContact O-N 3.24Å; E35-F74 WeakPolarHBondContact OE1-CB 3.4Å; E35-V75 CarbonylContact C-O 3.59Å; E35-V75 WeakPolarHBondContact CA-O 3.33Å; E35-D76 HydrophobicContact CG-CB 4.25Å; E35-S105 WeakPolarHBondContact O-CB 3.25Å; E35-S105 PolarHBondContact O-N 3.02Å
36V90.8Very high73.4Confident0 Ų069 Ų690%036%0.364CS..EExtended strand (participates in β ladder)trans-101.5137168.670.50000110.3V38 L54 F74 V75 L77 V83 I87 V102 N103V36-V38 HydrophobicContact CG1-CG2 4.15Å; V36-L54 HydrophobicContact CG1-CD2 3.89Å; V36-F74 WeakPolarHBondContact O-CA 3.49Å; V36-V75 HydrophobicContact CG1-CB 3.84Å; V36-V75 WeakPolarHBondContact CG1-O 3.11Å; V36-V75 PolarHBondContact N-O 3.3Å; V36-V75 PolarHBondContact O-N 2.78Å; V36-L77 HydrophobicContact CB-CD1 4.29Å; V36-L77 HydrophobicContact CG1-CD1 3.83Å; V36-L77 HydrophobicContact CG1-CG 4.08Å; V36-V83 HydrophobicContact CB-CG1 4.14Å; V36-V83 HydrophobicContact CB-CG2 4.41Å; V36-V83 HydrophobicContact CG2-CG1 4.28Å; V36-I87 HydrophobicContact CG2-CG1 4.05Å; V36-V102 HydrophobicContact CG2-CG1 3.41Å; V36-V102 VanDerWaalsContact CG2-CG1 3.41Å; V36-N103 WeakPolarHBondContact CG2-O 3.37Å
37Y92.8Very high76.1Confident70 Ų7069 Ų6928%0.27535%0.35SS..EExtended strand (participates in β ladder)trans-87129.6169.7168.9-91.3000109.3F72 F74 V102 N103Y37-F72 HydrophobicContact CD2-CB 4.45Å; Y37-F72 HydrophobicContact CD2-CD2 4.07Å; Y37-F72 HydrophobicContact CE2-CB 3.6Å; Y37-F72 AromaticContact CE2-CD2 3.49Å; Y37-F72 HydrophobicContact CE2-CD2 3.49Å; Y37-F72 VanDerWaalsContact CE2-CD2 3.49Å; Y37-F72 HydrophobicContact CE2-CE2 4.26Å; Y37-F72 AromaticContact CE2-CG 3.65Å; Y37-F72 HydrophobicContact CE2-CG 3.65Å; Y37-F74 HydrophobicContact CD2-CD1 4.39Å; Y37-F74 AromaticContact CD2-CE1 3.77Å; Y37-F74 HydrophobicContact CD2-CE1 3.77Å; Y37-F74 AromaticContact CD2-CZ 3.97Å; Y37-F74 HydrophobicContact CD2-CZ 3.97Å; Y37-F74 HydrophobicContact CG-CE1 4.39Å; Y37-V102 CarbonylContact O-C 3.55Å; Y37-V102 VanDerWaalsContact O-CA 3.27Å; Y37-V102 WeakPolarHBondContact O-CA 3.39Å; Y37-N103 WeakPolarHBondContact CB-O 3.4Å; Y37-N103 PolarHBondContact N-O 3.48Å; Y37-N103 PolarHBondContact O-N 3.36Å
38V92.6Very high78.7Confident0 Ų069.2 Ų69.20%034%0.34CS..EExtended strand (participates in β ladder)trans-123.5107.3176.6-171.90000108.5V36 L41 L53 L54 F72 A73 V75 V102V36-V38 HydrophobicContact CG1-CG2 4.15Å; V38-L41 HydrophobicContact CG1-CD1 4.33Å; V38-L41 HydrophobicContact CG1-CD2 3.8Å; V38-L41 HydrophobicContact CG1-CG 4.23Å; V38-L53 HydrophobicContact CG1-CD2 4.4Å; V38-L54 HydrophobicContact CG2-CD1 4.23Å; V38-L54 HydrophobicContact CG2-CD2 4.37Å; V38-F72 CarbonylContact O-C 3.58Å; V38-F72 WeakPolarHBondContact O-CA 3.32Å; V38-F72 WeakPolarHBondContact O-CB 3.44Å; V38-A73 PolarHBondContact N-O 3.36Å; V38-A73 PolarHBondContact O-N 3.32Å; V38-V75 HydrophobicContact CG2-CG2 4.19Å; V38-V102 HydrophobicContact CG1-CG2 4.26Å; V38-V102 HydrophobicContact CG2-CG1 4.49Å
39G91Very high81.2Confident0 Ų069.2 Ų69.20%032%0.32CS..EExtended strand (participates in β ladder)trans-113.2168.5-173.900000114.5L41 F101G39-L41 PolarHBondContact O-N 3.41Å; G39-F101 PolarHBondContact N-O 2.83Å; G39-F101 PolarHBondContact O-N 2.91Å
40N89.9Confident83.4Confident61 Ų6163.2 Ų63.233%0.32629%0.294SS..EExtended strand (participates in β ladder)trans59.136.5-174.7-168.840.4000113.1C71 K99 F101N40-C71 PolarHBondContact N-O 3.16Å; N40-K99 PolarHBondContact ND2-O 3.36Å; N40-F101 HydrophobicContact CB-CD2 3.44Å; N40-F101 VanDerWaalsContact CB-CD2 3.44Å; N40-F101 HydrophobicContact CB-CE2 3.7Å
41L91.3Very high85.4Confident1 Ų157.4 Ų57.41%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-71.2153.4171.6-63.5172.5000110.2V38 G39 I45 I50 L53 C71 A73 L100V38-L41 HydrophobicContact CG1-CD1 4.33Å; V38-L41 HydrophobicContact CG1-CD2 3.8Å; V38-L41 HydrophobicContact CG1-CG 4.23Å; G39-L41 PolarHBondContact O-N 3.41Å; L41-I45 HydrophobicContact CB-CD1 4.39Å; L41-I45 HydrophobicContact CB-CG2 4.07Å; L41-I45 HydrophobicContact CD2-CD1 3.84Å; L41-I45 HydrophobicContact CG-CD1 4.5Å; L41-I50 HydrophobicContact CD1-CD1 4Å; L41-I50 HydrophobicContact CD1-CG1 4.13Å; L41-L53 HydrophobicContact CD2-CD2 4.33Å; L41-C71 HydrophobicContact CB-CB 4.15Å; L41-C71 PolarHBondContact N-O 3.12Å; L41-C71 WeakPolarHBondContact O-CB 3.33Å; L41-A73 HydrophobicContact CD1-CB 3.87Å; L41-L100 HydrophobicContact CD2-CD2 3.71Å
42P86.9Confident87.1Confident4 Ų457.8 Ų57.83%0.02627%0.27CS..  trans-55.3152.1165.8-21.632.9000111.7D44 I45 C71 F95 H96P42-D44 WeakPolarHBondContact CB-OD1 3.33Å; P42-I45 HydrophobicContact CB-CB 4.27Å; P42-I45 WeakPolarHBondContact O-CG2 3.49Å; P42-C71 WeakPolarHBondContact O-CB 3.43Å; P42-C71 PolarHBondContact O-SG 3.46Å; P42-F95 HydrophobicContact CG-CD1 4.27Å; P42-F95 HydrophobicContact CG-CE1 4.16Å; P42-H96 HydrophobicContact CG-CB 3.67Å
43L86.8Confident88.3Confident43 Ų4351.9 Ų51.923%0.22525%0.249CC..SBendtrans-73.5-35.8-177.5-64.5178.5000111.3I45 K64 Q66 C71L43-I45 VanDerWaalsContact C-N 3.32Å; L43-K64 PolarHBondContact O-NZ 3.28Å; L43-K64 VanDerWaalsContact O-NZ 3.12Å; L43-Q66 HydrophobicContact CD2-CG 4.37Å; L43-Q66 PolarHBondContact O-OE1 3.25Å; L43-C71 HydrophobicContact CD2-CB 3.94Å
44D86.4Confident89.4Confident132 Ų13246.1 Ų46.171%0.70622%0.223SC*.SBendtrans-76.8-8.6177.955.4-37.6000114.2P42 S46P42-D44 WeakPolarHBondContact CB-OD1 3.33Å; D44-S46 PolarHBondContact O-N 2.95Å
45I89.8Confident89.7Confident2 Ų248.9 Ų48.91%0.0123%0.232CC..  trans-58.2131.9-177.8-159.2-179.8000112.1L41 P42 L43 E49 I50 K64 F95L41-I45 HydrophobicContact CB-CD1 4.39Å; L41-I45 HydrophobicContact CB-CG2 4.07Å; L41-I45 HydrophobicContact CD2-CD1 3.84Å; L41-I45 HydrophobicContact CG-CD1 4.5Å; P42-I45 HydrophobicContact CB-CB 4.27Å; P42-I45 WeakPolarHBondContact O-CG2 3.49Å; L43-I45 VanDerWaalsContact C-N 3.32Å; I45-E49 WeakPolarHBondContact CA-OE2 3.28Å; I45-E49 HydrophobicContact CD1-CB 4.34Å; I45-E49 HydrophobicContact CG1-CB 3.78Å; I45-I50 HydrophobicContact CD1-CD1 4.46Å; I45-I50 HydrophobicContact CD1-CG1 3.6Å; I45-I50 HydrophobicContact CG1-CG1 4.15Å; I45-I50 HydrophobicContact CG2-CD1 4.13Å; I45-I50 HydrophobicContact CG2-CG1 4.36Å; I45-K64 HydrophobicContact CG2-CD 4.45Å; I45-K64 WeakPolarHBondContact O-CE 3.45Å; I45-K64 PolarHBondContact O-NZ 2.97Å; I45-F95 HydrophobicContact CD1-CD1 4.49Å; I45-F95 HydrophobicContact CD1-CE1 3.43Å; I45-F95 VanDerWaalsContact CD1-CE1 3.43Å; I45-F95 HydrophobicContact CD1-CZ 3.85Å; I45-F95 HydrophobicContact CG1-CE1 4.25Å
46S88.8Confident89.8Confident39 Ų3954 Ų5427%0.27326%0.26SS..  trans-80.3163.5174.9650000111.9D44 E48 E49 I50D44-S46 PolarHBondContact O-N 2.95Å; S46-E48 WeakPolarHBondContact CB-OE2 3.14Å; S46-E48 PolarHBondContact O-N 3.44Å; S46-E49 PolarHBondContact N-OE2 2.86Å; S46-E49 WeakPolarHBondContact OG-CB 3.24Å; S46-E49 VanDerWaalsContact OG-CD 3.3Å; S46-E49 WeakPolarHBondContact OG-CG 3.19Å; S46-E49 PolarHBondContact OG-N 2.7Å; S46-E49 VanDerWaalsContact OG-N 3.1Å; S46-E49 PolarHBondContact OG-OE2 3.01Å; S46-I50 WeakPolarHBondContact O-CG1 3.07Å; S46-I50 PolarHBondContact O-N 2.94Å
47K89.1Confident89.7Confident110 Ų11054.7 Ų54.748%0.47826%0.263SS..Hα-helixtrans-66.9-33.3174.2-73.6-175.8179.8-177.60110.5I50 L51 K64K47-I50 WeakPolarHBondContact O-CB 3.21Å; K47-I50 PolarHBondContact O-N 2.85Å; K47-L51 WeakPolarHBondContact O-CG 3.49Å; K47-L51 PolarHBondContact O-N 3.41Å; K47-K64 HydrophobicContact CG-CB 4.38Å
48E89.3Confident89.4Confident128 Ų12856.6 Ų56.660%0.59828%0.278SS*.Hα-helixtrans-64.7-40.8179.9-63.566.3-145.300110.9S46 L51 Y52S46-E48 WeakPolarHBondContact CB-OE2 3.14Å; S46-E48 PolarHBondContact O-N 3.44Å; E48-L51 WeakPolarHBondContact O-CB 3.47Å; E48-L51 PolarHBondContact O-N 2.8Å; E48-Y52 WeakPolarHBondContact O-CB 3.49Å; E48-Y52 PolarHBondContact O-N 2.91Å
49E89.1Confident89.2Confident75 Ų7558 Ų5835%0.3529%0.286SS..Hα-helixtrans-68.3-34.7173.4-75.5167.6135.400112.7I45 S46 L51 Y52 L53I45-E49 WeakPolarHBondContact CA-OE2 3.28Å; I45-E49 HydrophobicContact CD1-CB 4.34Å; I45-E49 HydrophobicContact CG1-CB 3.78Å; S46-E49 PolarHBondContact N-OE2 2.86Å; S46-E49 WeakPolarHBondContact OG-CB 3.24Å; S46-E49 VanDerWaalsContact OG-CD 3.3Å; S46-E49 WeakPolarHBondContact OG-CG 3.19Å; S46-E49 PolarHBondContact OG-N 2.7Å; S46-E49 VanDerWaalsContact OG-N 3.1Å; S46-E49 PolarHBondContact OG-OE2 3.01Å; E49-L51 VanDerWaalsContact C-N 3.34Å; E49-Y52 PolarHBondContact O-N 3.32Å; E49-L53 WeakPolarHBondContact O-CB 3.28Å; E49-L53 PolarHBondContact O-N 3.44Å
50I90.8Very high88.9Confident0 Ų063.7 Ų63.70%032%0.316CS..Hα-helixtrans-65.5-41.4173.1-62.5162.5000110L41 I45 S46 K47 Y52 L53 L54 V62 K64 A73 V75L41-I50 HydrophobicContact CD1-CD1 4Å; L41-I50 HydrophobicContact CD1-CG1 4.13Å; I45-I50 HydrophobicContact CD1-CD1 4.46Å; I45-I50 HydrophobicContact CD1-CG1 3.6Å; I45-I50 HydrophobicContact CG1-CG1 4.15Å; I45-I50 HydrophobicContact CG2-CD1 4.13Å; I45-I50 HydrophobicContact CG2-CG1 4.36Å; S46-I50 WeakPolarHBondContact O-CG1 3.07Å; S46-I50 PolarHBondContact O-N 2.94Å; K47-I50 WeakPolarHBondContact O-CB 3.21Å; K47-I50 PolarHBondContact O-N 2.85Å; I50-Y52 VanDerWaalsContact C-N 3.34Å; I50-L53 PolarHBondContact O-N 2.98Å; I50-L54 HydrophobicContact CG2-CD1 4.1Å; I50-L54 WeakPolarHBondContact O-CD1 3.26Å; I50-L54 PolarHBondContact O-N 3.06Å; I50-V62 HydrophobicContact CB-CG1 4.06Å; I50-V62 HydrophobicContact CD1-CG1 4.16Å; I50-V62 HydrophobicContact CG2-CG1 3.67Å; I50-V62 HydrophobicContact CG2-CG2 4.18Å; I50-K64 HydrophobicContact CD1-CB 4.13Å; I50-K64 HydrophobicContact CD1-CD 4.34Å; I50-K64 HydrophobicContact CD1-CG 4.16Å; I50-A73 HydrophobicContact CD1-CB 3.98Å; I50-A73 HydrophobicContact CG2-CB 4.13Å; I50-V75 HydrophobicContact CG2-CG2 3.91Å
51L89.4Confident88.6Confident68 Ų6865.2 Ų65.236%0.35632%0.324SS..Hα-helixtrans-61.8-43.4173.8-70.5168.5000111.2K47 E48 E49 L53 L54 K55 P59 V62K47-L51 WeakPolarHBondContact O-CG 3.49Å; K47-L51 PolarHBondContact O-N 3.41Å; E48-L51 WeakPolarHBondContact O-CB 3.47Å; E48-L51 PolarHBondContact O-N 2.8Å; E49-L51 VanDerWaalsContact C-N 3.34Å; L51-L53 PolarHBondContact O-N 2.57Å; L51-L54 CarbonylContact O-C 3.55Å; L51-L54 PolarHBondContact O-N 3.2Å; L51-K55 PolarHBondContact O-N 2.62Å; L51-P59 HydrophobicContact CB-CG 4.44Å; L51-P59 HydrophobicContact CD2-CB 3.9Å; L51-P59 HydrophobicContact CD2-CG 3.52Å; L51-V62 HydrophobicContact CD2-CB 4.47Å; L51-V62 HydrophobicContact CD2-CG2 3.41Å; L51-V62 VanDerWaalsContact CD2-CG2 3.41Å; L51-V62 HydrophobicContact CG-CG2 3.9Å
52Y89.3Confident88.5Confident158 Ų15865.6 Ų65.662%0.6233%0.327SS*.Hα-helixtrans-64-40.3178-170.3-91.8000112.4E48 E49 I50 L54 K55E48-Y52 WeakPolarHBondContact O-CB 3.49Å; E48-Y52 PolarHBondContact O-N 2.91Å; E49-Y52 PolarHBondContact O-N 3.32Å; I50-Y52 VanDerWaalsContact C-N 3.34Å; Y52-L54 PolarHBondContact O-N 3.29Å; Y52-K55 HydrophobicContact CD2-CD 4.23Å; Y52-K55 HydrophobicContact CE2-CD 4.06Å; Y52-K55 WeakPolarHBondContact O-CB 3.23Å; Y52-K55 VanDerWaalsContact O-CG 3.31Å; Y52-K55 WeakPolarHBondContact O-CG 3.2Å; Y52-K55 PolarHBondContact O-N 2.92Å; Y52-K55 PolarHBondContact OH-NZ 3.33Å
53L90Very high88.6Confident30 Ų3069.1 Ų69.116%0.15734%0.343CS..Hα-helixtrans-59.9-34.3176.7174.963.8000112.4V38 L41 E49 I50 L51 L90 F95 L100V38-L53 HydrophobicContact CG1-CD2 4.4Å; L41-L53 HydrophobicContact CD2-CD2 4.33Å; E49-L53 WeakPolarHBondContact O-CB 3.28Å; E49-L53 PolarHBondContact O-N 3.44Å; I50-L53 PolarHBondContact O-N 2.98Å; L51-L53 PolarHBondContact O-N 2.57Å; L53-L90 HydrophobicContact CD1-CD2 4.49Å; L53-F95 HydrophobicContact CB-CE2 4.49Å; L53-F95 HydrophobicContact CD1-CD2 3.81Å; L53-F95 HydrophobicContact CD1-CE2 4.06Å; L53-F95 HydrophobicContact CD1-CG 4.47Å; L53-F95 HydrophobicContact CD2-CD2 4.5Å; L53-L100 HydrophobicContact CD1-CD1 4.01Å; L53-L100 HydrophobicContact CD2-CD1 3.81Å; L53-L100 HydrophobicContact CD2-CD2 4.47Å; L53-L100 HydrophobicContact CG-CD1 4.46Å
54L91.6Very high88.7Confident0 Ų069.7 Ų69.70%034%0.344CS..THydrogen-bonded Turntrans-104.713.9-179.9-70.4100.5000113.7V36 V38 I50 L51 Y52 D56 F57 P59 V75 L77 L90V36-L54 HydrophobicContact CG1-CD2 3.89Å; V38-L54 HydrophobicContact CG2-CD1 4.23Å; V38-L54 HydrophobicContact CG2-CD2 4.37Å; I50-L54 HydrophobicContact CG2-CD1 4.1Å; I50-L54 WeakPolarHBondContact O-CD1 3.26Å; I50-L54 PolarHBondContact O-N 3.06Å; L51-L54 CarbonylContact O-C 3.55Å; L51-L54 PolarHBondContact O-N 3.2Å; Y52-L54 PolarHBondContact O-N 3.29Å; L54-D56 PolarHBondContact O-N 3.04Å; L54-D56 VanDerWaalsContact O-N 3.1Å; L54-F57 HydrophobicContact CB-CD2 4.44Å; L54-F57 WeakPolarHBondContact O-CA 3.34Å; L54-F57 WeakPolarHBondContact O-CB 3.4Å; L54-F57 PolarHBondContact O-N 3.44Å; L54-P59 HydrophobicContact CB-CB 4.5Å; L54-P59 HydrophobicContact CB-CG 4.35Å; L54-P59 WeakPolarHBondContact O-CD 3.27Å; L54-V75 HydrophobicContact CD1-CG2 4.28Å; L54-V75 HydrophobicContact CD2-CB 4.4Å; L54-V75 HydrophobicContact CD2-CG1 4.24Å; L54-L77 HydrophobicContact CD2-CD1 4.44Å; L54-L77 HydrophobicContact CD2-CD2 4.07Å; L54-L90 HydrophobicContact CD2-CD1 4.18Å; L54-L90 HydrophobicContact CG-CD1 3.92Å
55K90.4Very high88.7Confident91 Ų9165.9 Ų65.940%0.39632%0.323SS..G310 helixtrans-52.9-38.5-172.171.1-174-177.8178.70113.8L51 Y52 F57 N58L51-K55 PolarHBondContact O-N 2.62Å; Y52-K55 HydrophobicContact CD2-CD 4.23Å; Y52-K55 HydrophobicContact CE2-CD 4.06Å; Y52-K55 WeakPolarHBondContact O-CB 3.23Å; Y52-K55 VanDerWaalsContact O-CG 3.31Å; Y52-K55 WeakPolarHBondContact O-CG 3.2Å; Y52-K55 PolarHBondContact O-N 2.92Å; Y52-K55 PolarHBondContact OH-NZ 3.33Å; K55-F57 PolarHBondContact O-N 3.25Å; K55-F57 VanDerWaalsContact O-N 3.13Å; K55-N58 PolarHBondContact O-N 2.98Å
56D89.1Confident88.6Confident122 Ų12270.7 Ų70.765%0.65235%0.345SS*.G310 helixtrans-67.8-15.4-177.8-58-33.5000112.3L54L54-D56 PolarHBondContact O-N 3.04Å; L54-D56 VanDerWaalsContact O-N 3.1Å
57F90.1Very high87.9Confident15 Ų1574 Ų747%0.06636%0.36CS..G310 helixtrans-100.3-3.2176.8-53.5-75.2000113.3L54 K55 L77 K82 L85 A86 E89 L90L54-F57 HydrophobicContact CB-CD2 4.44Å; L54-F57 WeakPolarHBondContact O-CA 3.34Å; L54-F57 WeakPolarHBondContact O-CB 3.4Å; L54-F57 PolarHBondContact O-N 3.44Å; K55-F57 PolarHBondContact O-N 3.25Å; K55-F57 VanDerWaalsContact O-N 3.13Å; F57-L77 HydrophobicContact CB-CD1 4.16Å; F57-L77 HydrophobicContact CB-CD2 3.89Å; F57-K82 VanDerWaalsContact O-CD 3.3Å; F57-K82 WeakPolarHBondContact O-CD 3.32Å; F57-K82 WeakPolarHBondContact O-CE 3.39Å; F57-K82 PolarHBondContact O-NZ 3.35Å; F57-L85 HydrophobicContact CD1-CB 4.4Å; F57-L85 HydrophobicContact CE1-CB 3.74Å; F57-A86 HydrophobicContact CD1-CB 4.08Å; F57-A86 HydrophobicContact CD2-CB 4.01Å; F57-A86 HydrophobicContact CE1-CB 4.1Å; F57-A86 HydrophobicContact CE2-CB 4.03Å; F57-A86 HydrophobicContact CG-CB 4.05Å; F57-A86 HydrophobicContact CZ-CB 4.08Å; F57-E89 HydrophobicContact CZ-CB 4.33Å; F57-E89 WeakPolarHBondContact CZ-OE2 3.46Å; F57-L90 HydrophobicContact CD2-CD1 4.41Å; F57-L90 HydrophobicContact CE2-CD1 3.94Å; F57-L90 HydrophobicContact CE2-CG 4.23Å
58N85.6Confident87.4Confident110 Ų11069.8 Ų69.859%0.58835%0.348SS*.  trans52.673.8-177-63.8-54.6000112.8K55K55-N58 PolarHBondContact O-N 2.98Å
59P88.5Confident86.7Confident28 Ų2868.7 Ų68.718%0.18235%0.353CS..  trans-67.7134.5-179.529.1-34.1000111.2L51 L54 V75 L77L51-P59 HydrophobicContact CB-CG 4.44Å; L51-P59 HydrophobicContact CD2-CB 3.9Å; L51-P59 HydrophobicContact CD2-CG 3.52Å; L54-P59 HydrophobicContact CB-CB 4.5Å; L54-P59 HydrophobicContact CB-CG 4.35Å; L54-P59 WeakPolarHBondContact O-CD 3.27Å; P59-V75 HydrophobicContact CB-CG1 3.5Å; P59-V75 VanDerWaalsContact CB-CG1 3.5Å; P59-L77 HydrophobicContact CB-CD2 4.12Å
60L84.5Confident86.2Confident120 Ų12072.5 Ų72.563%0.62837%0.368SS*.SBendtrans-91.5-40.6-178.9-63177.9000112.4D76L60-D76 HydrophobicContact CB-CB 4.44Å; L60-D76 WeakPolarHBondContact CB-O 3.5Å; L60-D76 PolarHBondContact N-O 2.85Å
61D83.6Confident86.1Confident93 Ų9372.7 Ų72.750%0.49737%0.369SS..EExtended strand (participates in β ladder)trans-147.6147180-171.526.9000110.4V75 D76D61-V75 CarbonylContact O-C 3.59Å; D61-V75 VanDerWaalsContact O-CA 3.31Å; D61-V75 WeakPolarHBondContact O-CA 3.37Å; D61-D76 HydrophobicContact CB-CB 4.29Å; D61-D76 PolarHBondContact O-N 2.8Å
62V90Very high86.3Confident10 Ų1071.3 Ų71.36%0.06136%0.361CS..EExtended strand (participates in β ladder)trans-131.3116-179.4175.10000109.8I50 L51 A73 V75I50-V62 HydrophobicContact CB-CG1 4.06Å; I50-V62 HydrophobicContact CD1-CG1 4.16Å; I50-V62 HydrophobicContact CG2-CG1 3.67Å; I50-V62 HydrophobicContact CG2-CG2 4.18Å; L51-V62 HydrophobicContact CD2-CB 4.47Å; L51-V62 HydrophobicContact CD2-CG2 3.41Å; L51-V62 VanDerWaalsContact CD2-CG2 3.41Å; L51-V62 HydrophobicContact CG-CG2 3.9Å; V62-A73 HydrophobicContact CG1-CB 4.37Å; V62-V75 HydrophobicContact CG1-CG2 4.42Å; V62-V75 HydrophobicContact CG2-CB 4.49Å; V62-V75 HydrophobicContact CG2-CG1 3.94Å; V62-V75 HydrophobicContact CG2-CG2 4.06Å
63H87.7Confident86.5Confident78 Ų7863.8 Ų63.836%0.36133%0.331SS..EExtended strand (participates in β ladder)trans-107.390.8173.4-166.171.6000110.6I65 A73 F74H63-I65 VanDerWaalsContact CD2-CG1 3.49Å; H63-I65 WeakPolarHBondContact CD2-CG1 3.42Å; H63-A73 WeakPolarHBondContact O-CA 3.35Å; H63-F74 HydrophobicContact CB-CB 4.47Å; H63-F74 PolarHBondContact N-O 2.93Å; H63-F74 PolarHBondContact O-N 2.89Å
64K90.2Very high86.6Confident55 Ų5564.5 Ų64.524%0.23933%0.333CS..EExtended strand (participates in β ladder)trans-71.8125.7172.8-177.4-172.1173.7-172.40109.7L43 I45 K47 I50 C71L43-K64 PolarHBondContact O-NZ 3.28Å; L43-K64 VanDerWaalsContact O-NZ 3.12Å; I45-K64 HydrophobicContact CG2-CD 4.45Å; I45-K64 WeakPolarHBondContact O-CE 3.45Å; I45-K64 PolarHBondContact O-NZ 2.97Å; K47-K64 HydrophobicContact CG-CB 4.38Å; I50-K64 HydrophobicContact CD1-CB 4.13Å; I50-K64 HydrophobicContact CD1-CD 4.34Å; I50-K64 HydrophobicContact CD1-CG 4.16Å; K64-C71 WeakPolarHBondContact CE-SG 3.47Å
65I86.7Confident86.6Confident51 Ų5164.5 Ų64.526%0.26233%0.333SS..EExtended strand (participates in β ladder)trans-119.1128.3172.5-62.4164.3000108.8H63 F72 F74H63-I65 VanDerWaalsContact CD2-CG1 3.49Å; H63-I65 WeakPolarHBondContact CD2-CG1 3.42Å; I65-F72 HydrophobicContact CB-CD2 4.1Å; I65-F72 HydrophobicContact CB-CE1 4.32Å; I65-F72 HydrophobicContact CB-CE2 3.66Å; I65-F72 HydrophobicContact CB-CZ 3.78Å; I65-F72 HydrophobicContact CD1-CD2 4.39Å; I65-F72 HydrophobicContact CD1-CE2 3.61Å; I65-F72 HydrophobicContact CD1-CZ 4.2Å; I65-F72 HydrophobicContact CG1-CE2 4.23Å; I65-F72 HydrophobicContact CG2-CE1 3.94Å; I65-F72 HydrophobicContact CG2-CE2 3.87Å; I65-F72 HydrophobicContact CG2-CZ 3.45Å; I65-F72 VanDerWaalsContact CG2-CZ 3.45Å; I65-F72 PolarHBondContact N-O 3.24Å; I65-F72 PolarHBondContact O-N 3.45Å; I65-F74 HydrophobicContact CD1-CD2 3.75Å; I65-F74 HydrophobicContact CD1-CE2 3.63Å
66Q86.2Confident86.6Confident104 Ų10460.6 Ų60.649%0.48632%0.317SS..EExtended strand (participates in β ladder)trans-118.3114.4174.2-174.8175.2-18.800109.4L43L43-Q66 HydrophobicContact CD2-CG 4.37Å; L43-Q66 PolarHBondContact O-OE1 3.25Å
67N75.3Confident86.6Confident108 Ų10854.8 Ų54.858%0.57829%0.285SS*.EExtended strand (participates in β ladder)trans-11889.1175.8-170.67.8000110.4C69 K70N67-C69 PolarHBondContact O-N 3.36Å; N67-K70 PolarHBondContact N-O 3.28Å; N67-K70 PolarHBondContact O-N 2.77Å
68G78.9Confident86.4Confident22 Ų2256 Ų5623%0.22730%0.302CS..THydrogen-bonded Turntrans66.5-124.6-176.800000110.8K70 K206G68-K70 PolarHBondContact O-N 3.28Å; G68-K206 VanDerWaalsContact N-NZ 3.13Å
69C73.4Confident86.4Confident105 Ų10552.2 Ų52.271%0.70928%0.284SS*.THydrogen-bonded Turntrans-82.89.3179.4-50.40000113.7N67N67-C69 PolarHBondContact O-N 3.36Å
70K79.9Confident86.2Confident155 Ų15554.7 Ų54.767%0.67430%0.295SS*.EExtended strand (participates in β ladder)trans-112.7118.6177.5-63.3-179-179.4179.60109.4N67 G68N67-K70 PolarHBondContact N-O 3.28Å; N67-K70 PolarHBondContact O-N 2.77Å; G68-K70 PolarHBondContact O-N 3.28Å
71C88.6Confident86.3Confident3 Ų355.3 Ų55.32%0.0229%0.294CS..EExtended strand (participates in β ladder)trans-112.3130169.7-177.70000109.1N40 L41 P42 L43 K64N40-C71 PolarHBondContact N-O 3.16Å; L41-C71 HydrophobicContact CB-CB 4.15Å; L41-C71 PolarHBondContact N-O 3.12Å; L41-C71 WeakPolarHBondContact O-CB 3.33Å; P42-C71 WeakPolarHBondContact O-CB 3.43Å; P42-C71 PolarHBondContact O-SG 3.46Å; L43-C71 HydrophobicContact CD2-CB 3.94Å; K64-C71 WeakPolarHBondContact CE-SG 3.47Å
72F93Very high86.6Confident39 Ų3953.9 Ų53.917%0.17128%0.284CS..EExtended strand (participates in β ladder)trans-148.6160.1176.558.5-88.2000109.9Y37 V38 I65 F74Y37-F72 HydrophobicContact CD2-CB 4.45Å; Y37-F72 HydrophobicContact CD2-CD2 4.07Å; Y37-F72 HydrophobicContact CE2-CB 3.6Å; Y37-F72 AromaticContact CE2-CD2 3.49Å; Y37-F72 HydrophobicContact CE2-CD2 3.49Å; Y37-F72 VanDerWaalsContact CE2-CD2 3.49Å; Y37-F72 HydrophobicContact CE2-CE2 4.26Å; Y37-F72 AromaticContact CE2-CG 3.65Å; Y37-F72 HydrophobicContact CE2-CG 3.65Å; V38-F72 CarbonylContact O-C 3.58Å; V38-F72 WeakPolarHBondContact O-CA 3.32Å; V38-F72 WeakPolarHBondContact O-CB 3.44Å; I65-F72 HydrophobicContact CB-CD2 4.1Å; I65-F72 HydrophobicContact CB-CE1 4.32Å; I65-F72 HydrophobicContact CB-CE2 3.66Å; I65-F72 HydrophobicContact CB-CZ 3.78Å; I65-F72 HydrophobicContact CD1-CD2 4.39Å; I65-F72 HydrophobicContact CD1-CE2 3.61Å; I65-F72 HydrophobicContact CD1-CZ 4.2Å; I65-F72 HydrophobicContact CG1-CE2 4.23Å; I65-F72 HydrophobicContact CG2-CE1 3.94Å; I65-F72 HydrophobicContact CG2-CE2 3.87Å; I65-F72 HydrophobicContact CG2-CZ 3.45Å; I65-F72 VanDerWaalsContact CG2-CZ 3.45Å; I65-F72 PolarHBondContact N-O 3.24Å; I65-F72 PolarHBondContact O-N 3.45Å; F72-F74 HydrophobicContact CD2-CE2 4.12Å; F72-F74 AromaticContact CE2-CE2 3.76Å; F72-F74 HydrophobicContact CE2-CE2 3.76Å; F72-F74 HydrophobicContact CE2-CZ 4.27Å
73A92.7Very high86.5Confident0 Ų053.4 Ų53.40%028%0.281CS..EExtended strand (participates in β ladder)trans-130.6147.6178.700000110.8V38 L41 I50 V62 H63 V75V38-A73 PolarHBondContact N-O 3.36Å; V38-A73 PolarHBondContact O-N 3.32Å; L41-A73 HydrophobicContact CD1-CB 3.87Å; I50-A73 HydrophobicContact CD1-CB 3.98Å; I50-A73 HydrophobicContact CG2-CB 4.13Å; V62-A73 HydrophobicContact CG1-CB 4.37Å; H63-A73 WeakPolarHBondContact O-CA 3.35Å; A73-V75 HydrophobicContact CB-CG2 4.23Å
74F92.2Very high86.6Confident45 Ų4552.9 Ų52.920%0.19728%0.283CS..EExtended strand (participates in β ladder)trans-101.7128.2160.3-65.2-77.7000108.2E35 V36 Y37 H63 I65 F72E35-F74 WeakPolarHBondContact OE1-CB 3.4Å; V36-F74 WeakPolarHBondContact O-CA 3.49Å; Y37-F74 HydrophobicContact CD2-CD1 4.39Å; Y37-F74 AromaticContact CD2-CE1 3.77Å; Y37-F74 HydrophobicContact CD2-CE1 3.77Å; Y37-F74 AromaticContact CD2-CZ 3.97Å; Y37-F74 HydrophobicContact CD2-CZ 3.97Å; Y37-F74 HydrophobicContact CG-CE1 4.39Å; H63-F74 HydrophobicContact CB-CB 4.47Å; H63-F74 PolarHBondContact N-O 2.93Å; H63-F74 PolarHBondContact O-N 2.89Å; I65-F74 HydrophobicContact CD1-CD2 3.75Å; I65-F74 HydrophobicContact CD1-CE2 3.63Å; F72-F74 HydrophobicContact CD2-CE2 4.12Å; F72-F74 AromaticContact CE2-CE2 3.76Å; F72-F74 HydrophobicContact CE2-CE2 3.76Å; F72-F74 HydrophobicContact CE2-CZ 4.27Å
75V92.4Very high86.5Confident0 Ų054.2 Ų54.20%029%0.293CS..EExtended strand (participates in β ladder)trans-124.1119.6-176.3-174.70000109.1E35 V36 V38 I50 L54 P59 D61 V62 A73 L77E35-V75 CarbonylContact C-O 3.59Å; E35-V75 WeakPolarHBondContact CA-O 3.33Å; V36-V75 HydrophobicContact CG1-CB 3.84Å; V36-V75 WeakPolarHBondContact CG1-O 3.11Å; V36-V75 PolarHBondContact N-O 3.3Å; V36-V75 PolarHBondContact O-N 2.78Å; V38-V75 HydrophobicContact CG2-CG2 4.19Å; I50-V75 HydrophobicContact CG2-CG2 3.91Å; L54-V75 HydrophobicContact CD1-CG2 4.28Å; L54-V75 HydrophobicContact CD2-CB 4.4Å; L54-V75 HydrophobicContact CD2-CG1 4.24Å; P59-V75 HydrophobicContact CB-CG1 3.5Å; P59-V75 VanDerWaalsContact CB-CG1 3.5Å; D61-V75 CarbonylContact O-C 3.59Å; D61-V75 VanDerWaalsContact O-CA 3.31Å; D61-V75 WeakPolarHBondContact O-CA 3.37Å; V62-V75 HydrophobicContact CG1-CG2 4.42Å; V62-V75 HydrophobicContact CG2-CB 4.49Å; V62-V75 HydrophobicContact CG2-CG1 3.94Å; V62-V75 HydrophobicContact CG2-CG2 4.06Å; A73-V75 HydrophobicContact CB-CG2 4.23Å; V75-L77 HydrophobicContact CG1-CD2 3.86Å
76D90.1Very high86.7Confident9 Ų951.8 Ų51.85%0.04828%0.28CS..EExtended strand (participates in β ladder)trans-80.3117.1174.8-170.3-5.8000109R32 T34 E35 L60 D61 G78R32-D76 WeakPolarHBondContact CD-OD2 3.31Å; R32-D76 IonicContact CZ-OD2 3.85Å; R32-D76 IonicContact NE-OD2 3.91Å; R32-D76 IonicContact NH1-OD2 3.87Å; R32-D76 PolarHBondContact NH1-OD2 2.79Å; T34-D76 VanDerWaalsContact CB-OD1 3.23Å; T34-D76 WeakPolarHBondContact CB-OD1 3.29Å; T34-D76 PolarHBondContact OG1-OD1 2.99Å; E35-D76 HydrophobicContact CG-CB 4.25Å; L60-D76 HydrophobicContact CB-CB 4.44Å; L60-D76 WeakPolarHBondContact CB-O 3.5Å; L60-D76 PolarHBondContact N-O 2.85Å; D61-D76 HydrophobicContact CB-CB 4.29Å; D61-D76 PolarHBondContact O-N 2.8Å; D76-G78 PolarHBondContact OD1-N 3.23Å
77L89.4Confident87Confident0 Ų048.5 Ų48.50%027%0.265CS..  trans-98.3-1.8178.6-60.3-179000112.5T34 V36 L54 F57 P59 V75 S79 K82 V83 A86T34-L77 PolarHBondContact O-N 3.24Å; V36-L77 HydrophobicContact CB-CD1 4.29Å; V36-L77 HydrophobicContact CG1-CD1 3.83Å; V36-L77 HydrophobicContact CG1-CG 4.08Å; L54-L77 HydrophobicContact CD2-CD1 4.44Å; L54-L77 HydrophobicContact CD2-CD2 4.07Å; F57-L77 HydrophobicContact CB-CD1 4.16Å; F57-L77 HydrophobicContact CB-CD2 3.89Å; P59-L77 HydrophobicContact CB-CD2 4.12Å; V75-L77 HydrophobicContact CG1-CD2 3.86Å; L77-S79 PolarHBondContact O-N 2.99Å; L77-K82 HydrophobicContact CB-CB 3.9Å; L77-K82 HydrophobicContact CB-CD 4.35Å; L77-K82 HydrophobicContact CD1-CB 4.21Å; L77-K82 WeakPolarHBondContact O-CD 3.44Å; L77-K82 PolarHBondContact O-NZ 3.39Å; L77-V83 HydrophobicContact CB-CG2 4.26Å; L77-V83 HydrophobicContact CD1-CG2 4.12Å; L77-V83 HydrophobicContact CG-CG2 4.48Å; L77-A86 HydrophobicContact CD1-CB 3.79Å
78G85.4Confident87.6Confident41 Ų4150 Ų5042%0.42327%0.269SS..SBendtrans69.9-4.817900000115.9D76D76-G78 PolarHBondContact OD1-N 3.23Å
79S85.9Confident88.1Confident30 Ų3053.5 Ų53.521%0.2128%0.279CS..SBendtrans-153.3138.5178.9147.50000111.5L77 Q81 K82 V83L77-S79 PolarHBondContact O-N 2.99Å; S79-Q81 VanDerWaalsContact C-N 3.27Å; S79-Q81 PolarHBondContact O-N 2.81Å; S79-Q81 PolarHBondContact OG-N 2.97Å; S79-Q81 PolarHBondContact OG-OE1 3.27Å; S79-K82 PolarHBondContact O-N 3.16Å; S79-V83 PolarHBondContact O-N 2.98Å
80M85Confident89Confident81 Ų8149 Ų4940%0.39925%0.248SC..Hα-helixtrans-62.8-34.7177.5-171.866.270.800112.1E33 K82 V83 T84E33-M80 HydrophobicContact CB-CE 3.9Å; E33-M80 WeakPolarHBondContact O-CE 3.38Å; M80-K82 VanDerWaalsContact C-N 3.32Å; M80-K82 PolarHBondContact O-N 3.44Å; M80-V83 WeakPolarHBondContact O-CB 3.35Å; M80-V83 PolarHBondContact O-N 2.85Å; M80-V83 VanDerWaalsContact O-N 3.16Å; M80-T84 PolarHBondContact O-N 2.89Å; M80-T84 PolarHBondContact O-OG1 3.01Å
81Q85.9Confident89.6Confident133 Ų13345.6 Ų45.662%0.62124%0.238SC*.Hα-helixtrans-60.8-43177.7-63.480.6-1.700110.9S79 T84 L85S79-Q81 VanDerWaalsContact C-N 3.27Å; S79-Q81 PolarHBondContact O-N 2.81Å; S79-Q81 PolarHBondContact OG-N 2.97Å; S79-Q81 PolarHBondContact OG-OE1 3.27Å; Q81-T84 PolarHBondContact O-N 2.79Å; Q81-L85 WeakPolarHBondContact O-CG 3.48Å; Q81-L85 PolarHBondContact O-N 2.65Å; Q81-L85 VanDerWaalsContact O-N 3.09Å
82K89.8Confident89.4Confident62 Ų6247.4 Ų47.427%0.2726%0.257SS..Hα-helixtrans-65.6-37.1175-67.7172.7168-167.20112.5F57 L77 S79 M80 L85 A86F57-K82 VanDerWaalsContact O-CD 3.3Å; F57-K82 WeakPolarHBondContact O-CD 3.32Å; F57-K82 WeakPolarHBondContact O-CE 3.39Å; F57-K82 PolarHBondContact O-NZ 3.35Å; L77-K82 HydrophobicContact CB-CB 3.9Å; L77-K82 HydrophobicContact CB-CD 4.35Å; L77-K82 HydrophobicContact CD1-CB 4.21Å; L77-K82 WeakPolarHBondContact O-CD 3.44Å; L77-K82 PolarHBondContact O-NZ 3.39Å; S79-K82 PolarHBondContact O-N 3.16Å; M80-K82 VanDerWaalsContact C-N 3.32Å; M80-K82 PolarHBondContact O-N 3.44Å; K82-L85 PolarHBondContact O-N 3.1Å; K82-A86 VanDerWaalsContact O-CB 3.25Å; K82-A86 WeakPolarHBondContact O-CB 3.4Å; K82-A86 PolarHBondContact O-N 3.07Å
83V88.4Confident89.2Confident1 Ų150.6 Ų50.61%0.00627%0.27CS..Hα-helixtrans-61.4-45.5174.5174.20000111T34 V36 L77 S79 M80 A86 I87 T104T34-V83 VanDerWaalsContact O-CG2 3.32Å; T34-V83 WeakPolarHBondContact O-CG2 3.24Å; V36-V83 HydrophobicContact CB-CG1 4.14Å; V36-V83 HydrophobicContact CB-CG2 4.41Å; V36-V83 HydrophobicContact CG2-CG1 4.28Å; L77-V83 HydrophobicContact CB-CG2 4.26Å; L77-V83 HydrophobicContact CD1-CG2 4.12Å; L77-V83 HydrophobicContact CG-CG2 4.48Å; S79-V83 PolarHBondContact O-N 2.98Å; M80-V83 WeakPolarHBondContact O-CB 3.35Å; M80-V83 PolarHBondContact O-N 2.85Å; M80-V83 VanDerWaalsContact O-N 3.16Å; V83-A86 PolarHBondContact O-N 2.8Å; V83-I87 HydrophobicContact CG1-CD1 3.85Å; V83-I87 WeakPolarHBondContact O-CD1 3.41Å; V83-I87 VanDerWaalsContact O-CG1 3.24Å; V83-I87 WeakPolarHBondContact O-CG1 3.41Å; V83-I87 PolarHBondContact O-N 3.05Å; V83-T104 HydrophobicContact CG1-CG2 4.25Å
84T88.3Confident88.9Confident66 Ų6656.7 Ų56.741%0.40530%0.302SS..Hα-helixtrans-63-45.3177.9-54.80000112.1M80 Q81 I87 Q88M80-T84 PolarHBondContact O-N 2.89Å; M80-T84 PolarHBondContact O-OG1 3.01Å; Q81-T84 PolarHBondContact O-N 2.79Å; T84-I87 PolarHBondContact O-N 2.94Å; T84-Q88 WeakPolarHBondContact O-CG 3.29Å; T84-Q88 PolarHBondContact O-N 2.94Å
85L89.8Confident88.6Confident84 Ų8456.2 Ų56.244%0.4430%0.3SS..Hα-helixtrans-64.2-43.8177.8-68.3171.2000111.7F57 Q81 K82 I87 Q88 E89F57-L85 HydrophobicContact CD1-CB 4.4Å; F57-L85 HydrophobicContact CE1-CB 3.74Å; Q81-L85 WeakPolarHBondContact O-CG 3.48Å; Q81-L85 PolarHBondContact O-N 2.65Å; Q81-L85 VanDerWaalsContact O-N 3.09Å; K82-L85 PolarHBondContact O-N 3.1Å; L85-I87 VanDerWaalsContact C-N 3.31Å; L85-I87 PolarHBondContact O-N 3.32Å; L85-Q88 PolarHBondContact O-N 3.16Å; L85-Q88 VanDerWaalsContact O-N 3.17Å; L85-E89 PolarHBondContact O-N 3.36Å
86A90.5Very high88.2Confident0 Ų061 Ų610%032%0.323CS..Hα-helixtrans-60.7-39.2176.800000112.1F57 L77 K82 V83 L90F57-A86 HydrophobicContact CD1-CB 4.08Å; F57-A86 HydrophobicContact CD2-CB 4.01Å; F57-A86 HydrophobicContact CE1-CB 4.1Å; F57-A86 HydrophobicContact CE2-CB 4.03Å; F57-A86 HydrophobicContact CG-CB 4.05Å; F57-A86 HydrophobicContact CZ-CB 4.08Å; L77-A86 HydrophobicContact CD1-CB 3.79Å; K82-A86 VanDerWaalsContact O-CB 3.25Å; K82-A86 WeakPolarHBondContact O-CB 3.4Å; K82-A86 PolarHBondContact O-N 3.07Å; V83-A86 PolarHBondContact O-N 2.8Å; A86-L90 HydrophobicContact CB-CD1 4.47Å; A86-L90 WeakPolarHBondContact O-CB 3.25Å; A86-L90 WeakPolarHBondContact O-CG 3.48Å; A86-L90 PolarHBondContact O-N 2.78Å
87I91.1Very high88.1Confident34 Ų3470.3 Ų70.317%0.17436%0.363CS..Hα-helixtrans-64.6-46.6174.4-68.5163.6000110.8V36 V83 T84 L85 E89 N91 V102 T104V36-I87 HydrophobicContact CG2-CG1 4.05Å; V83-I87 HydrophobicContact CG1-CD1 3.85Å; V83-I87 WeakPolarHBondContact O-CD1 3.41Å; V83-I87 VanDerWaalsContact O-CG1 3.24Å; V83-I87 WeakPolarHBondContact O-CG1 3.41Å; V83-I87 PolarHBondContact O-N 3.05Å; T84-I87 PolarHBondContact O-N 2.94Å; L85-I87 VanDerWaalsContact C-N 3.31Å; L85-I87 PolarHBondContact O-N 3.32Å; I87-E89 VanDerWaalsContact C-N 3.32Å; I87-E89 PolarHBondContact O-N 3.08Å; I87-N91 HydrophobicContact CG2-CB 4.5Å; I87-N91 WeakPolarHBondContact O-CB 3.45Å; I87-N91 PolarHBondContact O-N 3.35Å; I87-N91 VanDerWaalsContact O-N 3.14Å; I87-V102 HydrophobicContact CG1-CG1 3.95Å; I87-T104 HydrophobicContact CD1-CG2 3.54Å
88Q89.8Confident87.9Confident139 Ų13975.1 Ų75.165%0.6538%0.381SS*.Hα-helixtrans-62.2-40-179.5-75177.2-25.800112.2T84 L85T84-Q88 WeakPolarHBondContact O-CG 3.29Å; T84-Q88 PolarHBondContact O-N 2.94Å; L85-Q88 PolarHBondContact O-N 3.16Å; L85-Q88 VanDerWaalsContact O-N 3.17Å
89E89.2Confident88.2Confident96 Ų9679.4 Ų79.445%0.44939%0.388SS..Hα-helixtrans-88.7-32.9-174.8-68.9-165.7171.700114.4F57 L85 I87 K93F57-E89 HydrophobicContact CZ-CB 4.33Å; F57-E89 WeakPolarHBondContact CZ-OE2 3.46Å; L85-E89 PolarHBondContact O-N 3.36Å; I87-E89 VanDerWaalsContact C-N 3.32Å; I87-E89 PolarHBondContact O-N 3.08Å; E89-K93 WeakPolarHBondContact O-CD 3.45Å; E89-K93 WeakPolarHBondContact O-CE 3.38Å; E89-K93 WeakPolarHBondContact O-CG 3.39Å; E89-K93 PolarHBondContact O-NZ 2.69Å
90L91.4Very high88.5Confident11 Ų1178 Ų786%0.05838%0.378CS..Hα-helixtrans-103.3-21.8-171.3-58177.6000113.4L53 L54 F57 A86 G92 K93 V102L53-L90 HydrophobicContact CD1-CD2 4.49Å; L54-L90 HydrophobicContact CD2-CD1 4.18Å; L54-L90 HydrophobicContact CG-CD1 3.92Å; F57-L90 HydrophobicContact CD2-CD1 4.41Å; F57-L90 HydrophobicContact CE2-CD1 3.94Å; F57-L90 HydrophobicContact CE2-CG 4.23Å; A86-L90 HydrophobicContact CB-CD1 4.47Å; A86-L90 WeakPolarHBondContact O-CB 3.25Å; A86-L90 WeakPolarHBondContact O-CG 3.48Å; A86-L90 PolarHBondContact O-N 2.78Å; L90-G92 PolarHBondContact O-N 3.03Å; L90-K93 HydrophobicContact CD2-CD 4.19Å; L90-K93 PolarHBondContact O-N 3.49Å; L90-V102 HydrophobicContact CB-CB 4.47Å; L90-V102 HydrophobicContact CB-CG2 3.78Å
91N91.8Very high88.7Confident84 Ų8479.8 Ų79.845%0.44938%0.383SS..THydrogen-bonded Turntrans-66.4122.4179-171.645.2000110.8I87 K93 V102I87-N91 HydrophobicContact CG2-CB 4.5Å; I87-N91 WeakPolarHBondContact O-CB 3.45Å; I87-N91 PolarHBondContact O-N 3.35Å; I87-N91 VanDerWaalsContact O-N 3.14Å; N91-K93 VanDerWaalsContact C-N 3.32Å; N91-V102 HydrophobicContact CB-CB 4.05Å; N91-V102 PolarHBondContact OD1-N 3.34Å; N91-V102 PolarHBondContact OD1-O 3.03Å
92G84.4Confident89Confident41 Ų4173.6 Ų73.642%0.42336%0.355SS..THydrogen-bonded Turntrans84.2-6.1-177.900000115.3L90 L100L90-G92 PolarHBondContact O-N 3.03Å; G92-L100 WeakPolarHBondContact CA-O 3.47Å; G92-L100 PolarHBondContact N-O 2.76Å
93K90.5Very high89Confident105 Ų10575.1 Ų75.146%0.45737%0.366SS..  trans-64.7146.5173.4-85.4-171.2177.3153.40111.1E89 L90 N91 K99 L100E89-K93 WeakPolarHBondContact O-CD 3.45Å; E89-K93 WeakPolarHBondContact O-CE 3.38Å; E89-K93 WeakPolarHBondContact O-CG 3.39Å; E89-K93 PolarHBondContact O-NZ 2.69Å; L90-K93 HydrophobicContact CD2-CD 4.19Å; L90-K93 PolarHBondContact O-N 3.49Å; N91-K93 VanDerWaalsContact C-N 3.32Å; K93-K99 WeakPolarHBondContact O-CA 3.12Å; K93-L100 PolarHBondContact O-N 3.01Å
94L85.6Confident88.9Confident128 Ų12877.8 Ų77.867%0.6738%0.382SS*.EExtended strand (participates in β ladder)trans-80.9122.7173.7-70.6172.6000109.9R98 K99L94-R98 CarbonylContact C-O 3.6Å; L94-R98 WeakPolarHBondContact CA-O 3.24Å; L94-K99 HydrophobicContact CD2-CG 3.72Å
95F86.8Confident88.1Confident35 Ų3575.6 Ų75.615%0.15437%0.37CS..EExtended strand (participates in β ladder)trans-131.7122.8173.8-179.2-99.8000107.9P42 I45 L53 K97 R98 L100P42-F95 HydrophobicContact CG-CD1 4.27Å; P42-F95 HydrophobicContact CG-CE1 4.16Å; I45-F95 HydrophobicContact CD1-CD1 4.49Å; I45-F95 HydrophobicContact CD1-CE1 3.43Å; I45-F95 VanDerWaalsContact CD1-CE1 3.43Å; I45-F95 HydrophobicContact CD1-CZ 3.85Å; I45-F95 HydrophobicContact CG1-CE1 4.25Å; L53-F95 HydrophobicContact CB-CE2 4.49Å; L53-F95 HydrophobicContact CD1-CD2 3.81Å; L53-F95 HydrophobicContact CD1-CE2 4.06Å; L53-F95 HydrophobicContact CD1-CG 4.47Å; L53-F95 HydrophobicContact CD2-CD2 4.5Å; F95-K97 PolarHBondContact O-N 3.24Å; F95-R98 PolarHBondContact N-O 2.97Å; F95-R98 WeakPolarHBondContact O-CB 3.27Å; F95-R98 PolarHBondContact O-N 3.01Å; F95-R98 VanDerWaalsContact O-O 3.12Å; F95-L100 HydrophobicContact CB-CD1 3.75Å; F95-L100 HydrophobicContact CB-CD2 3.81Å; F95-L100 HydrophobicContact CB-CG 3.69Å; F95-L100 HydrophobicContact CD1-CD2 4.19Å; F95-L100 HydrophobicContact CG-CD1 4.36Å; F95-L100 HydrophobicContact CG-CD2 4.27Å
96H84.1Confident87Confident102 Ų10279.8 Ų79.847%0.47238%0.38SS..THydrogen-bonded Turntrans49.544.5-172.9-67.381.3000113.2P42 R98P42-H96 HydrophobicContact CG-CB 3.67Å; H96-R98 PolarHBondContact O-N 3.34Å; H96-R98 VanDerWaalsContact O-N 3.14Å
97K86.8Confident84.7Confident204 Ų20490 Ų9089%0.88742%0.418SS*.THydrogen-bonded Turntrans61.514.3-176.7-52.1177.1-178.8177.50114.8F95F95-K97 PolarHBondContact O-N 3.24Å
98R85.8Confident81.9Confident101 Ų10194 Ų9438%0.38145%0.446SS..EExtended strand (participates in β ladder)trans-115.9143.1177-61.7179.9-178-158.7-0.8110.7L94 F95 H96L94-R98 CarbonylContact C-O 3.6Å; L94-R98 WeakPolarHBondContact CA-O 3.24Å; F95-R98 PolarHBondContact N-O 2.97Å; F95-R98 WeakPolarHBondContact O-CB 3.27Å; F95-R98 PolarHBondContact O-N 3.01Å; F95-R98 VanDerWaalsContact O-O 3.12Å; H96-R98 PolarHBondContact O-N 3.34Å; H96-R98 VanDerWaalsContact O-N 3.14Å
99K90.8Very high79.1Confident130 Ų13093 Ų9357%0.56545%0.452SS*.EExtended strand (participates in β ladder)trans-77.8122.4173.9-68.2-177.9-179.9179.10109.9N40 K93 L94N40-K99 PolarHBondContact ND2-O 3.36Å; K93-K99 WeakPolarHBondContact O-CA 3.12Å; L94-K99 HydrophobicContact CD2-CG 3.72Å
100L91.8Very high76.3Confident1 Ų198.3 Ų98.31%0.00547%0.474CS..  trans-70.6142.4174.9-65.5176.7000111L41 L53 G92 K93 F95 V102L41-L100 HydrophobicContact CD2-CD2 3.71Å; L53-L100 HydrophobicContact CD1-CD1 4.01Å; L53-L100 HydrophobicContact CD2-CD1 3.81Å; L53-L100 HydrophobicContact CD2-CD2 4.47Å; L53-L100 HydrophobicContact CG-CD1 4.46Å; G92-L100 WeakPolarHBondContact CA-O 3.47Å; G92-L100 PolarHBondContact N-O 2.76Å; K93-L100 PolarHBondContact O-N 3.01Å; F95-L100 HydrophobicContact CB-CD1 3.75Å; F95-L100 HydrophobicContact CB-CD2 3.81Å; F95-L100 HydrophobicContact CB-CG 3.69Å; F95-L100 HydrophobicContact CD1-CD2 4.19Å; F95-L100 HydrophobicContact CG-CD1 4.36Å; F95-L100 HydrophobicContact CG-CD2 4.27Å; L100-V102 HydrophobicContact CB-CG2 4.2Å
101F90.6Very high73.4Confident118 Ų118109.6 Ų109.652%0.51852%0.515SS..EExtended strand (participates in β ladder)trans-110.1105.3169-64-71.2000109.5G39 N40G39-F101 PolarHBondContact N-O 2.83Å; G39-F101 PolarHBondContact O-N 2.91Å; N40-F101 HydrophobicContact CB-CD2 3.44Å; N40-F101 VanDerWaalsContact CB-CD2 3.44Å; N40-F101 HydrophobicContact CB-CE2 3.7Å
102V92.4Very high70.5Confident3 Ų3111 Ų1112%0.01853%0.527CS..EExtended strand (participates in β ladder)trans-112.2122.7-176.9-170.50000109.3V36 Y37 V38 I87 L90 N91 L100V36-V102 HydrophobicContact CG2-CG1 3.41Å; V36-V102 VanDerWaalsContact CG2-CG1 3.41Å; Y37-V102 CarbonylContact O-C 3.55Å; Y37-V102 VanDerWaalsContact O-CA 3.27Å; Y37-V102 WeakPolarHBondContact O-CA 3.39Å; V38-V102 HydrophobicContact CG1-CG2 4.26Å; V38-V102 HydrophobicContact CG2-CG1 4.49Å; I87-V102 HydrophobicContact CG1-CG1 3.95Å; L90-V102 HydrophobicContact CB-CB 4.47Å; L90-V102 HydrophobicContact CB-CG2 3.78Å; N91-V102 HydrophobicContact CB-CB 4.05Å; N91-V102 PolarHBondContact OD1-N 3.34Å; N91-V102 PolarHBondContact OD1-O 3.03Å; L100-V102 HydrophobicContact CB-CG2 4.2Å
103N89.4Confident68.2Low94 Ų94115.3 Ų115.350%0.50355%0.548SS..EExtended strand (participates in β ladder)trans-146.6166.2-177.4-156.4-16.4000111V36 Y37V36-N103 WeakPolarHBondContact CG2-O 3.37Å; Y37-N103 WeakPolarHBondContact CB-O 3.4Å; Y37-N103 PolarHBondContact N-O 3.48Å; Y37-N103 PolarHBondContact O-N 3.36Å
104T86.1Confident65.2Low57 Ų57117.2 Ų117.235%0.3556%0.563SS.*EExtended strand (participates in β ladder)trans-62.3146.1170.462.20000110.6V83 I87 R106V83-T104 HydrophobicContact CG1-CG2 4.25Å; I87-T104 HydrophobicContact CD1-CG2 3.54Å; T104-R106 PolarHBondContact O-N 2.8Å
105S71.2Confident62.5Low21 Ų21116.1 Ų116.115%0.14756%0.561CS.*SBendtrans-65.6-6.6179.5-178.30000114.1E35E35-S105 WeakPolarHBondContact O-CB 3.25Å; E35-S105 PolarHBondContact O-N 3.02Å
106R66.8Low59.9Low171 Ų171121.8 Ų121.865%0.64559%0.592SS**PPolyproline II helixtrans-78.3130.9175.1-67.8-170.7177.8-147.83.3110.8E33 T104E33-R106 IonicContact OE1-CZ 3.94Å; E33-R106 IonicContact OE1-NH2 2.7Å; E33-R106 PolarHBondContact OE1-NH2 3.06Å; T104-R106 PolarHBondContact O-N 2.8Å
107R42.6Very low57.2Low216 Ų216125.4 Ų125.482%0.81561%0.609SS**PPolyproline II helixtrans-67.8142.6159.1-67.6-174.5-178.7176.90.9108
108P32.7Very low54.4Low117 Ų117123.2 Ų123.276%0.7660%0.602SS**PPolyproline II helixtrans-57.2140.9164.124.6-30.7000108.5K110P108-K110 PolarHBondContact O-N 3.1Å
109P29.6Very low51.5Low119 Ų119124.6 Ų124.677%0.77362%0.624SS**PPolyproline II helixtrans-56.6140.7177.422.6-30.6000109.3R111P109-R111 PolarHBondContact O-N 3.09Å
110K30.8Very low48.3Very low207 Ų207130 Ų13090%0.964%0.641SS**  trans-49.7112175-74.8179.8176.2-179.70108P108 T112P108-K110 PolarHBondContact O-N 3.1Å; K110-T112 PolarHBondContact O-N 3.36Å; K110-T112 VanDerWaalsContact O-N 3.16Å
111R29.9Very low45.1Very low247 Ų247136.5 Ų136.593%0.93268%0.68SS**  trans-63.4116165-73.2-176176.2140.8-1.3106.5P109P109-R111 PolarHBondContact O-N 3.09Å
112T31Very low42Very low114 Ų114136.5 Ų136.570%0.69969%0.692SS**  trans-55.6145.4158.444.20000108.2K110 D114K110-T112 PolarHBondContact O-N 3.36Å; K110-T112 VanDerWaalsContact O-N 3.16Å; T112-D114 VanDerWaalsContact C-N 3.3Å; T112-D114 PolarHBondContact O-N 3.45Å
113P36.1Very low38.7Very low132 Ų132144.8 Ų144.886%0.85774%0.735SS**SBendtrans-71.794.1172.730.1-28.9000107.2
114D28.8Very low35.7Very low144 Ų144146.7 Ų146.777%0.7775%0.75SS**  trans-152.4136.9151.2-128.8-24.8000112.2T112T112-D114 VanDerWaalsContact C-N 3.3Å; T112-D114 PolarHBondContact O-N 3.45Å
115V29.1Very low32.7Very low105 Ų105150.3 Ų150.364%0.63677%0.766SS**  trans68.888.3170.5-164.90000116.9Q117V115-Q117 HydrophobicContact CG1-CG 3.96Å; V115-Q117 PolarHBondContact O-N 3.45Å
116I32.1Very low30.6Very low154 Ų154158.4 Ų158.479%0.7980%0.802SS**  trans-67.2115.3150.2-62.3168.6000107.5Q118I116-Q118 HydrophobicContact CG2-CB 4.49Å
117Q27.3Very low28.6Very low179 Ų179159 Ų15984%0.83681%0.809SS**  trans-115.589.9152.5-79.8-175.715.100108.1V115V115-Q117 HydrophobicContact CG1-CG 3.96Å; V115-Q117 PolarHBondContact O-N 3.45Å
118Q27.8Very low27.7Very low158 Ų158153 Ų15374%0.73881%0.806SS**PPolyproline II helixtrans-82.4143.9148.9-86.4178.1-27.500108.2I116 R120I116-Q118 HydrophobicContact CG2-CB 4.49Å; Q118-R120 PolarHBondContact O-N 3.23Å
119P24.6Very low27.3Very low130 Ų130153.6 Ų153.684%0.84481%0.813SS**PPolyproline II helixtrans-61.3121.7177.2-17.229.8000110.4
120R24.4Very low27.1Very low243 Ų243151.1 Ų151.192%0.91781%0.809SS**PPolyproline II helixtrans-77.6124.6176.4-71.5179.6175.3167.3-1.7110Q118Q118-R120 PolarHBondContact O-N 3.23Å
121V23.5Very low26.8Very low137 Ų137150.9 Ų150.983%0.8381%0.811SS**PPolyproline II helixtrans-84.1131.1152.8-175.40000106.7
122P25.3Very low26.6Very low118 Ų118142.9 Ų142.977%0.76681%0.806SS**PPolyproline II helixtrans-86124.7-176.526.7-20.1000110.9
123L23.4Very low26.4Very low177 Ų177146.9 Ų146.993%0.92781%0.814SS**  trans-123.5130.5155.5-161.371000109.1
124V26.9Very low26Very low134 Ų134144.4 Ų144.481%0.81281%0.812SS**  trans-63.3140.2-167.4171.40000112.3
125L23.9Very low26Very low133 Ų133146.5 Ų146.570%0.69681%0.814SS**  trans-89.2132.1169.7177.380.8000109.1K127L125-K127 HydrophobicContact CD2-CG 3.99Å; L125-K127 HydrophobicContact CG-CG 4.43Å
126E26.1Very low25.9Very low191 Ų191148.7 Ų148.789%0.89383%0.828SS**  trans-118.6135.8143.3-81.8-149.4130.700110.6
127K24.1Very low25.6Very low183 Ų183145.6 Ų145.680%0.79683%0.826SS**  trans-81.7155.8-176.6-70.9175171.4176.10110.8L125L125-K127 HydrophobicContact CD2-CG 3.99Å; L125-K127 HydrophobicContact CG-CG 4.43Å
128A23.9Very low25.5Very low92 Ų92141.6 Ų141.676%0.7682%0.823SS**  179.3142.5103.800000113.3
129S25.1Very low25.5Very low128 Ų128140.5 Ų140.590%0.89582%0.821SS**  trans59.3126.2138-176.80000119.1
130G24.7Very low26Very low68 Ų68141.7 Ų141.770%0.70182%0.818SS**  cis170.6165.810.500000110.8
131E24.6Very low26.3Very low202 Ų202138.6 Ų138.694%0.94481%0.814SS**  trans35.7133.6158.1-71.9175.8133.700124.1
132G25.8Very low26.8Very low79 Ų79140 Ų14081%0.81482%0.816SS**  trans172.6101.4157.800000114.3
133F26.3Very low26.9Very low198 Ų198138.9 Ų138.987%0.86882%0.817SS**  trans-68.1156.4-174.9-102.2-114.7000116.4
134G27.4Very low27.2Very low79 Ų79136.6 Ų136.681%0.81481%0.812SS**  trans171.377.2159.500000115
135K29.3Very low27.3Very low189 Ų189140.4 Ų140.482%0.82282%0.818SS**  trans-81137.5171.9-73.1173.3176.1173.30111
136T26.6Very low27.6Very low151 Ų151137.9 Ų137.993%0.92682%0.816SS**  trans-139.6125.1146.5-470000109.1
137A26.4Very low27.9Very low89 Ų89135.1 Ų135.174%0.73682%0.815SS**  trans-111.7158.3-177.700000111.3
138A25.6Very low28.5Very low94 Ų94132.6 Ų132.678%0.77782%0.815SS**  trans79146.5156.500000115.4
139I28.3Very low28.6Very low135 Ų135135 Ų13569%0.69282%0.815SS**  cis-154.9138.137.2-70.9169.6000109.4Q141I139-Q141 HydrophobicContact CG2-CG 3.88Å
140I35.3Very low29.3Very low155 Ų155137.2 Ų137.280%0.79582%0.816SS**  trans-80.1122162-66.7169000107.5L142I140-L142 HydrophobicContact CG2-CD1 4.39Å
141Q29.4Very low30Very low179 Ų179139 Ų13984%0.83682%0.816SS**  trans-122.9111162-84.2-176.313.400109.8I139I139-Q141 HydrophobicContact CG2-CG 3.88Å
142L34.7Very low30.5Very low167 Ų167138 Ų13887%0.87481%0.812SS**  trans-82.1130.1163.7-83.9145.6000108.2I140I140-L142 HydrophobicContact CG2-CD1 4.39Å
143A27Very low30.8Very low93 Ų93140.4 Ų140.477%0.76981%0.811SS**  trans-144.4154.1168.500000109.9
144P29.4Very low31.2Very low129 Ų129140.1 Ų140.184%0.83881%0.812SS**PPolyproline II helixtrans-87.7150-143.616.2-4000114.6A146P144-A146 PolarHBondContact O-N 2.88Å
145K28.9Very low31.6Very low214 Ų214145.7 Ų145.793%0.9381%0.814SS**PPolyproline II helixtrans-70.5120.5172.5-76-170.8172.2-175.90111
146A29.7Very low32.1Very low80 Ų80144.7 Ų144.766%0.66182%0.817SS**PPolyproline II helixtrans-75.7150.5158.400000110P144 V148P144-A146 PolarHBondContact O-N 2.88Å; A146-V148 PolarHBondContact O-N 3.27Å
147P33.9Very low32.7Very low133 Ų133149.1 Ų149.186%0.86482%0.816SS**  trans-72.8112.5-178.829.3-29.5000108.8
148V35.2Very low33.6Very low131 Ų131148.2 Ų148.279%0.79481%0.809SS**  trans-78.4125.4171.2176.40000107.6A146A146-V148 PolarHBondContact O-N 3.27Å
149D27.4Very low35.1Very low142 Ų142146.8 Ų146.876%0.75980%0.797SS**  trans-50.3140.2-179.7-155.8-2.5000112.5C151D149-C151 PolarHBondContact O-N 3.49Å
150L38.3Very low37Very low175 Ų175150.2 Ų150.292%0.91681%0.807SS**SBendtrans-82.761-176.2-104.1151000109.5
151C41.1Very low39.2Very low105 Ų105146.4 Ų146.471%0.70979%0.785SS**SBendtrans-165.8132.4166.3-153.20000109.3D149D149-C151 PolarHBondContact O-N 3.49Å
152E34.6Very low41.8Very low181 Ų181141.9 Ų141.985%0.84678%0.778SS**  trans83.160.8178.9-51.4-162.4155.900118.5
153T32.6Very low44.4Very low130 Ų130135.7 Ų135.780%0.79875%0.748SS**  trans-145.247.5147.5-32.50000113.4K155T153-K155 VanDerWaalsContact C-N 3.3Å
154E33Very low47.5Very low192 Ų192132.3 Ų132.390%0.89772%0.717SS**  trans-96.437.3159.5-71.4-170.115000111.3L156E154-L156 VanDerWaalsContact C-N 3.29Å; E154-L156 PolarHBondContact O-N 3.12Å
155K35.9Very low50.4Low196 Ų196130.4 Ų130.485%0.85270%0.7SS**  trans-7396.8157.6-88-178.8179.1173.10106.8T153 R157T153-K155 VanDerWaalsContact C-N 3.3Å; K155-R157 PolarHBondContact O-N 2.69Å
156L40.7Very low53.4Low168 Ų168121.9 Ų121.988%0.8866%0.663SS**  trans-28.4107.2168-71165.2000109.4E154 A158E154-L156 VanDerWaalsContact C-N 3.29Å; E154-L156 PolarHBondContact O-N 3.12Å; L156-A158 PolarHBondContact O-N 3.23Å
157R39.4Very low56.4Low244 Ų244119 Ų11992%0.92164%0.636SS**  trans-61.894171.1-156.8-168.7-65.4-159.11.6104.7K155 A159K155-R157 PolarHBondContact O-N 2.69Å; R157-A159 PolarHBondContact O-N 3.17Å
158A45.8Very low59.1Low70 Ų70118 Ų11858%0.57962%0.615SS**  trans-50.8110.5-179.700000106.8L156 F160L156-A158 PolarHBondContact O-N 3.23Å; A158-F160 VanDerWaalsContact O-CD2 3.29Å; A158-F160 WeakPolarHBondContact O-CD2 3.39Å; A158-F160 PolarHBondContact O-N 2.82Å
159A55.6Low61.8Low64 Ų64113.9 Ų113.953%0.52960%0.599SS.*  trans-65.2107.1179.400000106.3R157 F161R157-A159 PolarHBondContact O-N 3.17Å; A159-F161 HydrophobicContact CB-CD2 4.22Å; A159-F161 HydrophobicContact CB-CE2 3.55Å; A159-F161 HydrophobicContact CB-CZ 3.72Å; A159-F161 WeakPolarHBondContact O-CD2 3.37Å; A159-F161 WeakPolarHBondContact O-CE2 3.23Å; A159-F161 PolarHBondContact O-N 3.4Å
160F69.9Low64.9Low206 Ų206111.2 Ų111.290%0.90459%0.592SS**  trans-71.596173.7-72.4-84.3000107.6A158A158-F160 VanDerWaalsContact O-CD2 3.29Å; A158-F160 WeakPolarHBondContact O-CD2 3.39Å; A158-F160 PolarHBondContact O-N 2.82Å
161F79.7Confident67.6Low75 Ų75103.4 Ų103.433%0.32955%0.551SS.*PPolyproline II helixtrans-76.1130172.5-65.7-81.7000109.2A159 V163 K206 T207 P208 F209 I319A159-F161 HydrophobicContact CB-CD2 4.22Å; A159-F161 HydrophobicContact CB-CE2 3.55Å; A159-F161 HydrophobicContact CB-CZ 3.72Å; A159-F161 WeakPolarHBondContact O-CD2 3.37Å; A159-F161 WeakPolarHBondContact O-CE2 3.23Å; A159-F161 PolarHBondContact O-N 3.4Å; F161-V163 PolarHBondContact O-N 3.11Å; F161-K206 VanDerWaalsContact CE1-O 3.28Å; F161-K206 WeakPolarHBondContact CE1-O 3.18Å; F161-T207 HydrophobicContact CD1-CG2 4.23Å; F161-P208 VanDerWaalsContact CD2-CD 3.47Å; F161-P208 HydrophobicContact CD2-CG 3.83Å; F161-P208 HydrophobicContact CE2-CG 4.24Å; F161-P208 HydrophobicContact CG-CG 4.26Å; F161-F209 HydrophobicContact CB-CE2 3.92Å; F161-I319 HydrophobicContact CE1-CD1 4.24Å; F161-I319 HydrophobicContact CE2-CD1 4.29Å; F161-I319 HydrophobicContact CZ-CD1 3.51Å; F161-I319 HydrophobicContact CZ-CG1 4.34Å
162A85.4Confident70.2Confident84 Ų8498.7 Ų98.769%0.69452%0.518SS*.PPolyproline II helixtrans-64.6131.9165.300000108.6P164A162-P164 VanDerWaalsContact O-CD 3.28Å; A162-P164 WeakPolarHBondContact O-CD 3.31Å
163V88.9Confident73.1Confident38 Ų3891.8 Ų91.823%0.2349%0.488CS..PPolyproline II helixtrans-70.2118.7177.2-1740000108.7F161 M167 R168 F209F161-V163 PolarHBondContact O-N 3.11Å; V163-M167 HydrophobicContact CG1-CB 3.82Å; V163-R168 HydrophobicContact CB-CG 4.33Å; V163-R168 HydrophobicContact CG1-CG 3.82Å; V163-R168 PolarHBondContact O-NE 3.32Å; V163-R168 PolarHBondContact O-NH2 3.01Å; V163-F209 HydrophobicContact CB-CZ 4.36Å; V163-F209 HydrophobicContact CG1-CE1 4.37Å; V163-F209 HydrophobicContact CG1-CZ 4.34Å; V163-F209 HydrophobicContact CG2-CZ 3.96Å
164P91.1Very high76.1Confident21 Ų2188.1 Ų88.114%0.13646%0.463CS..PPolyproline II helixtrans-54.4149.4174.8-23.934.2000111A162 E166 M167 R168 V204 F209A162-P164 VanDerWaalsContact O-CD 3.28Å; A162-P164 WeakPolarHBondContact O-CD 3.31Å; P164-E166 VanDerWaalsContact C-N 3.31Å; P164-E166 HydrophobicContact CB-CG 4.49Å; P164-E166 WeakPolarHBondContact CB-OE2 3.47Å; P164-E166 PolarHBondContact O-N 2.94Å; P164-M167 HydrophobicContact CB-CB 4.35Å; P164-M167 HydrophobicContact CB-CG 3.88Å; P164-M167 HydrophobicContact CG-CG 3.98Å; P164-M167 WeakPolarHBondContact O-CB 3.19Å; P164-M167 PolarHBondContact O-N 3.31Å; P164-R168 WeakPolarHBondContact O-CG 3.46Å; P164-V204 HydrophobicContact CB-CG2 4.43Å; P164-V204 HydrophobicContact CG-CB 4.34Å; P164-V204 HydrophobicContact CG-CG1 3.84Å; P164-V204 HydrophobicContact CG-CG2 4.1Å; P164-F209 HydrophobicContact CG-CB 4.45Å; P164-F209 HydrophobicContact CG-CD2 3.94Å; P164-F209 HydrophobicContact CG-CG 4.36Å
165L90.9Very high79.1Confident89 Ų8979.1 Ų79.147%0.46642%0.422SS..G310 helixtrans-56-48.3-17317365.9000111.4M167 R168 F171L165-M167 PolarHBondContact O-N 3.22Å; L165-R168 WeakPolarHBondContact O-CB 3.41Å; L165-R168 PolarHBondContact O-N 3.47Å; L165-R168 VanDerWaalsContact O-N 3.1Å; L165-F171 HydrophobicContact CD1-CD2 4.25Å; L165-F171 HydrophobicContact CD2-CD2 4.26Å; L165-F171 HydrophobicContact CD2-CE2 4.35Å; L165-F171 HydrophobicContact CG-CD2 3.79Å; L165-F171 HydrophobicContact CG-CE2 4.26Å; L165-F171 WeakPolarHBondContact O-CB 3.41Å
166E92.8Very high82Confident36 Ų3669.9 Ų69.917%0.16838%0.381CS..G310 helixtrans-62.2-23.3-179.465.1-83.5-157.400113.1P164 F171 W211 M280 L287P164-E166 VanDerWaalsContact C-N 3.31Å; P164-E166 HydrophobicContact CB-CG 4.49Å; P164-E166 WeakPolarHBondContact CB-OE2 3.47Å; P164-E166 PolarHBondContact O-N 2.94Å; E166-F171 HydrophobicContact CB-CD1 4.33Å; E166-F171 HydrophobicContact CB-CE1 4.04Å; E166-F171 HydrophobicContact CB-CZ 4.27Å; E166-W211 HydrophobicContact CB-CZ2 4.26Å; E166-W211 WeakPolarHBondContact O-CZ2 3.3Å; E166-M280 HydrophobicContact CB-CE 4.4Å; E166-L287 HydrophobicContact CB-CD1 4.36Å
167M92.3Very high84.7Confident18 Ų1869.3 Ų69.39%0.08937%0.368CS..G310 helixtrans-87.2-5.1179.4-60.3-70.2178.800112.9V163 P164 L165 V204 F209 W211 P312V163-M167 HydrophobicContact CG1-CB 3.82Å; P164-M167 HydrophobicContact CB-CB 4.35Å; P164-M167 HydrophobicContact CB-CG 3.88Å; P164-M167 HydrophobicContact CG-CG 3.98Å; P164-M167 WeakPolarHBondContact O-CB 3.19Å; P164-M167 PolarHBondContact O-N 3.31Å; L165-M167 PolarHBondContact O-N 3.22Å; M167-V204 HydrophobicContact CE-CG2 3.55Å; M167-F209 HydrophobicContact CB-CD1 4.42Å; M167-F209 HydrophobicContact CE-CB 3.79Å; M167-F209 HydrophobicContact CG-CB 3.93Å; M167-F209 HydrophobicContact CG-CD1 4.34Å; M167-F209 HydrophobicContact CG-CG 4.22Å; M167-F209 HydrophobicContact SD-CB 4.02Å; M167-W211 HydrophobicContact CE-CG 4.09Å; M167-W211 VanDerWaalsContact CE-NE1 3.28Å; M167-P312 HydrophobicContact SD-CB 3.35Å; M167-P312 WeakPolarHBondContact SD-CB 3.21Å
168R91.5Very high87.3Confident113 Ų11360.4 Ų60.443%0.42634%0.337SS..SBendtrans-84.1142.5-175-63174.1-169.2-174.21.1111.4V163 P164 L165 S170 F171 L172V163-R168 HydrophobicContact CB-CG 4.33Å; V163-R168 HydrophobicContact CG1-CG 3.82Å; V163-R168 PolarHBondContact O-NE 3.32Å; V163-R168 PolarHBondContact O-NH2 3.01Å; P164-R168 WeakPolarHBondContact O-CG 3.46Å; L165-R168 WeakPolarHBondContact O-CB 3.41Å; L165-R168 PolarHBondContact O-N 3.47Å; L165-R168 VanDerWaalsContact O-N 3.1Å; R168-S170 PolarHBondContact O-N 3Å; R168-F171 HydrophobicContact CB-CB 4.41Å; R168-F171 WeakPolarHBondContact O-CB 3.37Å; R168-F171 PolarHBondContact O-N 3.24Å; R168-L172 PolarHBondContact O-N 3.23Å
169G90.8Very high89.7Confident44 Ų4457.1 Ų57.145%0.45431%0.309SS..Hα-helixtrans-55.5-38.6173.900000113.3F171 L172 V173G169-F171 VanDerWaalsContact C-N 3.3Å; G169-F171 PolarHBondContact O-N 3.17Å; G169-L172 PolarHBondContact O-N 2.78Å; G169-V173 VanDerWaalsContact O-CG2 3.28Å; G169-V173 WeakPolarHBondContact O-CG2 3.34Å; G169-V173 PolarHBondContact O-N 3.03Å
170S92.8Very high91.7Very high87 Ų8755.3 Ų55.361%0.60829%0.289SS*.Hα-helixtrans-63.4-33.3176.756.70000113.6R168 L174R168-S170 PolarHBondContact O-N 3Å; S170-L174 PolarHBondContact O-N 3.37Å; S170-L174 VanDerWaalsContact O-N 3.16Å
171F94.6Very high92.9Very high11 Ų1153.7 Ų53.75%0.04828%0.277CS..Hα-helixtrans-68.6-45.8174.5-178-90000110.9L165 E166 R168 G169 V173 L174 L175 W268 L270 M280L165-F171 HydrophobicContact CD1-CD2 4.25Å; L165-F171 HydrophobicContact CD2-CD2 4.26Å; L165-F171 HydrophobicContact CD2-CE2 4.35Å; L165-F171 HydrophobicContact CG-CD2 3.79Å; L165-F171 HydrophobicContact CG-CE2 4.26Å; L165-F171 WeakPolarHBondContact O-CB 3.41Å; E166-F171 HydrophobicContact CB-CD1 4.33Å; E166-F171 HydrophobicContact CB-CE1 4.04Å; E166-F171 HydrophobicContact CB-CZ 4.27Å; R168-F171 HydrophobicContact CB-CB 4.41Å; R168-F171 WeakPolarHBondContact O-CB 3.37Å; R168-F171 PolarHBondContact O-N 3.24Å; G169-F171 VanDerWaalsContact C-N 3.3Å; G169-F171 PolarHBondContact O-N 3.17Å; F171-V173 PolarHBondContact O-N 3.16Å; F171-L174 PolarHBondContact O-N 3.23Å; F171-L175 HydrophobicContact CE1-CD1 4.36Å; F171-L175 PolarHBondContact O-N 2.89Å; F171-W268 HydrophobicContact CD2-CZ3 4.47Å; F171-W268 AromaticContact CE1-CZ3 3.92Å; F171-W268 HydrophobicContact CE1-CZ3 3.92Å; F171-W268 HydrophobicContact CE2-CH2 4.35Å; F171-W268 AromaticContact CE2-CZ3 3.84Å; F171-W268 HydrophobicContact CE2-CZ3 3.84Å; F171-W268 HydrophobicContact CZ-CE3 4.26Å; F171-W268 HydrophobicContact CZ-CH2 4.46Å; F171-W268 AromaticContact CZ-CZ3 3.54Å; F171-W268 HydrophobicContact CZ-CZ3 3.54Å; F171-L270 HydrophobicContact CE2-CD2 3.56Å; F171-L270 HydrophobicContact CE2-CG 4.12Å; F171-L270 HydrophobicContact CZ-CD1 4.29Å; F171-L270 HydrophobicContact CZ-CD2 3.82Å; F171-L270 HydrophobicContact CZ-CG 4.25Å; F171-M280 HydrophobicContact CE1-CE 4.33Å
172L95.3Very high93.5Very high6 Ų654 Ų543%0.03128%0.283CS..Hα-helixtrans-62.8-41.4177.1-55179.2000112R168 G169 L174 L175 L176 W185 L186 I189 W211 P312R168-L172 PolarHBondContact O-N 3.23Å; G169-L172 PolarHBondContact O-N 2.78Å; L172-L174 VanDerWaalsContact C-N 3.29Å; L172-L174 PolarHBondContact O-N 3.34Å; L172-L175 PolarHBondContact O-N 3.21Å; L172-L176 WeakPolarHBondContact O-CB 3.45Å; L172-L176 WeakPolarHBondContact O-CG 3.14Å; L172-L176 PolarHBondContact O-N 3.43Å; L172-W185 HydrophobicContact CD1-CZ3 4.41Å; L172-L186 HydrophobicContact CB-CD2 3.71Å; L172-L186 HydrophobicContact CD1-CD2 3.94Å; L172-I189 HydrophobicContact CD1-CD1 4.24Å; L172-W211 HydrophobicContact CD2-CH2 3.53Å; L172-W211 HydrophobicContact CD2-CZ2 4.29Å; L172-W211 HydrophobicContact CD2-CZ3 4.35Å; L172-P312 HydrophobicContact CD1-CG 3.84Å; L172-P312 HydrophobicContact CD2-CG 4.41Å
173V95.5Very high94Very high36 Ų3653.1 Ų53.122%0.21827%0.266CS..Hα-helixtrans-59.1-42.6175.5169.10000111G169 F171 R177 L183 L186G169-V173 VanDerWaalsContact O-CG2 3.28Å; G169-V173 WeakPolarHBondContact O-CG2 3.34Å; G169-V173 PolarHBondContact O-N 3.03Å; F171-V173 PolarHBondContact O-N 3.16Å; V173-R177 WeakPolarHBondContact O-CB 3.43Å; V173-R177 VanDerWaalsContact O-CG 3.31Å; V173-R177 WeakPolarHBondContact O-CG 3.49Å; V173-R177 PolarHBondContact O-N 3.01Å; V173-L183 HydrophobicContact CG1-CD2 4.38Å; V173-L186 HydrophobicContact CB-CD1 4.45Å; V173-L186 HydrophobicContact CG2-CD1 3.45Å; V173-L186 VanDerWaalsContact CG2-CD1 3.45Å
174L96.1Very high94.2Very high52 Ų5254.7 Ų54.727%0.27228%0.278SS..Hα-helixtrans-65.7-49.7178.7-174.966.8000111.3S170 F171 L172 L176 R177 E178 R247 W268S170-L174 PolarHBondContact O-N 3.37Å; S170-L174 VanDerWaalsContact O-N 3.16Å; F171-L174 PolarHBondContact O-N 3.23Å; L172-L174 VanDerWaalsContact C-N 3.29Å; L172-L174 PolarHBondContact O-N 3.34Å; L174-L176 VanDerWaalsContact C-N 3.29Å; L174-L176 PolarHBondContact O-N 3.06Å; L174-R177 PolarHBondContact O-N 3.23Å; L174-E178 HydrophobicContact CD1-CG 4.29Å; L174-E178 VanDerWaalsContact CD1-OE1 3.26Å; L174-E178 WeakPolarHBondContact CD1-OE1 3.28Å; L174-E178 PolarHBondContact O-N 3.44Å; L174-R247 VanDerWaalsContact CD2-NH2 3.32Å; L174-W268 HydrophobicContact CB-CH2 4.21Å; L174-W268 HydrophobicContact CD2-CH2 3.82Å; L174-W268 HydrophobicContact CD2-CZ2 3.94Å; L174-W268 HydrophobicContact CG-CH2 3.88Å; L174-W268 HydrophobicContact CG-CZ2 3.85Å
175L96.6Very high94.4Very high4 Ų454.5 Ų54.52%0.02128%0.275CS..Hα-helixtrans-52.1-49.8176.1178.1151.3000110.8F171 L172 R177 E178 C179 F180 W268 M280 I282 P308F171-L175 HydrophobicContact CE1-CD1 4.36Å; F171-L175 PolarHBondContact O-N 2.89Å; L172-L175 PolarHBondContact O-N 3.21Å; L175-R177 PolarHBondContact O-N 2.7Å; L175-E178 PolarHBondContact O-N 2.98Å; L175-C179 WeakPolarHBondContact O-CB 3.43Å; L175-C179 PolarHBondContact O-N 2.83Å; L175-F180 HydrophobicContact CD2-CD2 4.06Å; L175-F180 HydrophobicContact CD2-CE2 3.7Å; L175-W268 HydrophobicContact CB-CD2 4.5Å; L175-W268 HydrophobicContact CB-CE3 3.86Å; L175-W268 HydrophobicContact CB-CH2 4.04Å; L175-W268 HydrophobicContact CB-CZ3 3.59Å; L175-W268 HydrophobicContact CD1-CE3 3.77Å; L175-W268 HydrophobicContact CD1-CZ3 4.08Å; L175-W268 HydrophobicContact CG-CD2 4.45Å; L175-W268 HydrophobicContact CG-CE3 3.89Å; L175-W268 HydrophobicContact CG-CZ3 4.14Å; L175-M280 HydrophobicContact CD1-CG 4.35Å; L175-I282 HydrophobicContact CD1-CG1 4.21Å; L175-I282 HydrophobicContact CD1-CG2 4.19Å; L175-I282 HydrophobicContact CD2-CG2 4.09Å; L175-P308 HydrophobicContact CD2-CG 4.12Å
176L96.9Very high94.5Very high1 Ų151.4 Ų51.41%0.00526%0.259CS..Hα-helixtrans-66.9-39.6-177.5-70.9170.2000112.9L172 L174 F180 R181 D182 L183 W185 L186 P308L172-L176 WeakPolarHBondContact O-CB 3.45Å; L172-L176 WeakPolarHBondContact O-CG 3.14Å; L172-L176 PolarHBondContact O-N 3.43Å; L174-L176 VanDerWaalsContact C-N 3.29Å; L174-L176 PolarHBondContact O-N 3.06Å; L176-F180 HydrophobicContact CD2-CB 4.32Å; L176-F180 HydrophobicContact CD2-CD2 3.8Å; L176-F180 HydrophobicContact CD2-CE2 4.44Å; L176-F180 HydrophobicContact CD2-CG 4.12Å; L176-F180 CarbonylContact O-C 3.6Å; L176-F180 WeakPolarHBondContact O-CA 3.19Å; L176-F180 WeakPolarHBondContact O-CB 3.33Å; L176-F180 PolarHBondContact O-N 3.4Å; L176-R181 PolarHBondContact O-N 3.07Å; L176-D182 WeakPolarHBondContact CB-O 3.47Å; L176-L183 HydrophobicContact CB-CD2 3.66Å; L176-L183 HydrophobicContact CD1-CD2 4.14Å; L176-W185 HydrophobicContact CD1-CE3 3.87Å; L176-W185 HydrophobicContact CD2-CB 4.29Å; L176-W185 HydrophobicContact CD2-CE3 4.16Å; L176-W185 HydrophobicContact CG-CE3 4.48Å; L176-L186 HydrophobicContact CD1-CD1 3.86Å; L176-L186 HydrophobicContact CD1-CD2 3.73Å; L176-L186 HydrophobicContact CD1-CG 3.39Å; L176-P308 HydrophobicContact CD2-CG 4.06Å
177R95.9Very high94.4Very high157 Ų15753 Ų5359%0.59228%0.278SS*.Hα-helixtrans-63.7-44.9176.3-77.9175.3174.8162.90.3112.3V173 L174 L175 L183V173-R177 WeakPolarHBondContact O-CB 3.43Å; V173-R177 VanDerWaalsContact O-CG 3.31Å; V173-R177 WeakPolarHBondContact O-CG 3.49Å; V173-R177 PolarHBondContact O-N 3.01Å; L174-R177 PolarHBondContact O-N 3.23Å; L175-R177 PolarHBondContact O-N 2.7Å; R177-L183 HydrophobicContact CG-CD2 4.13Å
178E95.4Very high94.3Very high57 Ų5757.3 Ų57.327%0.26630%0.301SS..Hα-helixtrans-76.4-41.2-176.1-67.3-176-17600111.7L174 L175 G248 R250 W268L174-E178 HydrophobicContact CD1-CG 4.29Å; L174-E178 VanDerWaalsContact CD1-OE1 3.26Å; L174-E178 WeakPolarHBondContact CD1-OE1 3.28Å; L174-E178 PolarHBondContact O-N 3.44Å; L175-E178 PolarHBondContact O-N 2.98Å; E178-G248 WeakPolarHBondContact OE2-CA 3.42Å; E178-R250 PolarHBondContact O-NE 2.72Å; E178-R250 PolarHBondContact O-NH2 3.15Å; E178-W268 VanDerWaalsContact OE2-CE2 3.26Å; E178-W268 WeakPolarHBondContact OE2-CZ2 3.13Å; E178-W268 PolarHBondContact OE2-NE1 3.2Å
179C96.7Very high94.3Very high0 Ų052.8 Ų52.80%029%0.285CS..Hα-helixtrans-92-38.9-174.9-70.40000114.6L175 R250 W268 I282 W304L175-C179 WeakPolarHBondContact O-CB 3.43Å; L175-C179 PolarHBondContact O-N 2.83Å; C179-R250 VanDerWaalsContact C-NH2 3.32Å; C179-R250 PolarHBondContact O-NE 3.26Å; C179-R250 PolarHBondContact O-NH1 3.11Å; C179-R250 PolarHBondContact O-NH2 3.44Å; C179-W268 VanDerWaalsContact SG-CG 3.55Å; C179-I282 HydrophobicContact CB-CD1 4.45Å; C179-W304 HydrophobicContact CB-CE3 3.62Å; C179-W304 HydrophobicContact CB-CZ3 3.53Å; C179-W304 WeakPolarHBondContact O-CB 3.41Å
180F96.1Very high94.2Very high27 Ų2754.9 Ų54.912%0.11828%0.283CS..THydrogen-bonded Turntrans-115.1-21.9-167.8-61.9-92.6000112.9L175 L176 D182 I282 W304 I306 P308L175-F180 HydrophobicContact CD2-CD2 4.06Å; L175-F180 HydrophobicContact CD2-CE2 3.7Å; L176-F180 HydrophobicContact CD2-CB 4.32Å; L176-F180 HydrophobicContact CD2-CD2 3.8Å; L176-F180 HydrophobicContact CD2-CE2 4.44Å; L176-F180 HydrophobicContact CD2-CG 4.12Å; L176-F180 CarbonylContact O-C 3.6Å; L176-F180 WeakPolarHBondContact O-CA 3.19Å; L176-F180 WeakPolarHBondContact O-CB 3.33Å; L176-F180 PolarHBondContact O-N 3.4Å; F180-D182 PolarHBondContact O-N 3.25Å; F180-D182 VanDerWaalsContact O-N 3.09Å; F180-I282 HydrophobicContact CE2-CD1 4.36Å; F180-I282 HydrophobicContact CE2-CG2 4.06Å; F180-I282 HydrophobicContact CZ-CG2 4.02Å; F180-W304 WeakPolarHBondContact CD1-O 3.13Å; F180-W304 HydrophobicContact CE1-CE3 4.12Å; F180-W304 HydrophobicContact CE2-CE3 4.14Å; F180-W304 HydrophobicContact CE2-CZ3 4.31Å; F180-W304 AromaticContact CZ-CE3 3.85Å; F180-W304 HydrophobicContact CZ-CE3 3.85Å; F180-W304 HydrophobicContact CZ-CZ3 4.17Å; F180-I306 VanDerWaalsContact CE1-O 3.27Å; F180-I306 WeakPolarHBondContact CE1-O 3.43Å; F180-P308 HydrophobicContact CD2-CG 4.49Å; F180-P308 HydrophobicContact CE1-CG 4.39Å; F180-P308 HydrophobicContact CE2-CG 3.81Å; F180-P308 HydrophobicContact CZ-CG 3.77Å
181R95Very high93.9Very high172 Ų17254.6 Ų54.665%0.64928%0.28SS*.SBendtrans54.821.3-172.5-53.7177.5-174.4144.65.1113.2L176 D301L176-R181 PolarHBondContact O-N 3.07Å; R181-D301 IonicContact CZ-OD1 3.87Å; R181-D301 IonicContact CZ-OD2 2.72Å; R181-D301 IonicContact NH1-OD1 3.46Å; R181-D301 PolarHBondContact NH1-OD1 3.12Å; R181-D301 IonicContact NH1-OD2 2.91Å; R181-D301 PolarHBondContact NH1-OD2 2.93Å; R181-D301 IonicContact NH2-OD1 3.79Å
182D93.9Very high93.6Very high82 Ų8255.1 Ų55.144%0.43928%0.284SS..  trans-139.3132.4180-178.214.2000110.2L176 F180 S184L176-D182 WeakPolarHBondContact CB-O 3.47Å; F180-D182 PolarHBondContact O-N 3.25Å; F180-D182 VanDerWaalsContact O-N 3.09Å; D182-S184 VanDerWaalsContact CG-OG 3.24Å; D182-S184 VanDerWaalsContact OD1-CB 3.23Å; D182-S184 WeakPolarHBondContact OD1-CB 2.99Å; D182-S184 PolarHBondContact OD1-N 3.07Å; D182-S184 PolarHBondContact OD1-OG 2.77Å; D182-S184 WeakPolarHBondContact OD2-CB 3.43Å; D182-S184 PolarHBondContact OD2-OG 2.98Å
183L94.8Very high93.5Very high65 Ų6561 Ų6134%0.3431%0.306SS..  trans-103.9-2.1178.8-63.1-177.7000113V173 L176 R177 W185 L186V173-L183 HydrophobicContact CG1-CD2 4.38Å; L176-L183 HydrophobicContact CB-CD2 3.66Å; L176-L183 HydrophobicContact CD1-CD2 4.14Å; R177-L183 HydrophobicContact CG-CD2 4.13Å; L183-W185 PolarHBondContact O-N 2.68Å; L183-W185 VanDerWaalsContact O-N 3.15Å; L183-L186 HydrophobicContact CD2-CD1 4.22Å; L183-L186 WeakPolarHBondContact O-CB 3.25Å; L183-L186 PolarHBondContact O-N 2.82Å
184S93.9Very high93.4Very high70 Ų7060.4 Ų60.449%0.4931%0.307SS..Hα-helixtrans-55.6-33-178.273.40000112.4D182 L186 A187 L188D182-S184 VanDerWaalsContact CG-OG 3.24Å; D182-S184 VanDerWaalsContact OD1-CB 3.23Å; D182-S184 WeakPolarHBondContact OD1-CB 2.99Å; D182-S184 PolarHBondContact OD1-N 3.07Å; D182-S184 PolarHBondContact OD1-OG 2.77Å; D182-S184 WeakPolarHBondContact OD2-CB 3.43Å; D182-S184 PolarHBondContact OD2-OG 2.98Å; S184-L186 VanDerWaalsContact C-N 3.26Å; S184-L186 PolarHBondContact O-N 3.08Å; S184-A187 WeakPolarHBondContact O-CB 3.43Å; S184-A187 PolarHBondContact O-N 3.26Å; S184-L188 PolarHBondContact O-N 3.34Å
185W94.4Very high93.5Very high18 Ų1865 Ų657%0.06833%0.327CS..Hα-helixtrans-57.5-36.3175.6-174.780.9000112.7L172 L176 L183 A187 L188 I189 P307 P308 T310 Q311L172-W185 HydrophobicContact CD1-CZ3 4.41Å; L176-W185 HydrophobicContact CD1-CE3 3.87Å; L176-W185 HydrophobicContact CD2-CB 4.29Å; L176-W185 HydrophobicContact CD2-CE3 4.16Å; L176-W185 HydrophobicContact CG-CE3 4.48Å; L183-W185 PolarHBondContact O-N 2.68Å; L183-W185 VanDerWaalsContact O-N 3.15Å; W185-A187 VanDerWaalsContact C-N 3.32Å; W185-A187 PolarHBondContact O-N 2.88Å; W185-L188 WeakPolarHBondContact O-CB 3.38Å; W185-L188 PolarHBondContact O-N 3.08Å; W185-I189 HydrophobicContact CD2-CG2 3.79Å; W185-I189 HydrophobicContact CE3-CD1 3.97Å; W185-I189 HydrophobicContact CE3-CG2 4.16Å; W185-I189 HydrophobicContact CG-CG2 4.34Å; W185-I189 HydrophobicContact CH2-CD1 3.82Å; W185-I189 HydrophobicContact CH2-CG2 4.14Å; W185-I189 HydrophobicContact CZ2-CD1 4.45Å; W185-I189 HydrophobicContact CZ2-CG2 3.7Å; W185-I189 HydrophobicContact CZ3-CD1 3.54Å; W185-I189 HydrophobicContact CZ3-CG2 4.36Å; W185-I189 WeakPolarHBondContact O-CG2 3.27Å; W185-I189 PolarHBondContact O-N 2.87Å; W185-P307 HydrophobicContact CB-CB 4.36Å; W185-P307 HydrophobicContact CG-CB 4Å; W185-P308 HydrophobicContact CD2-CG 4.35Å; W185-P308 HydrophobicContact CH2-CB 4.18Å; W185-P308 HydrophobicContact CH2-CG 4.47Å; W185-P308 HydrophobicContact CZ2-CB 3.76Å; W185-P308 HydrophobicContact CZ2-CG 4.27Å; W185-P308 PolarHBondContact NE1-O 2.81Å; W185-P308 VanDerWaalsContact NE1-O 3.16Å; W185-T310 WeakPolarHBondContact CH2-O 3.35Å; W185-T310 VanDerWaalsContact CZ2-O 3.27Å; W185-T310 WeakPolarHBondContact CZ2-O 3.16Å; W185-Q311 HydrophobicContact CH2-CB 3.79Å; W185-Q311 HydrophobicContact CZ2-CB 3.79Å
186L93.1Very high93.4Very high24 Ų2465.4 Ų65.413%0.12633%0.332CS..Hα-helixtrans-62.2-41.9176.2-67.7174.2000111.8L172 V173 L176 L183 S184 L188 I189 H190L172-L186 HydrophobicContact CB-CD2 3.71Å; L172-L186 HydrophobicContact CD1-CD2 3.94Å; V173-L186 HydrophobicContact CB-CD1 4.45Å; V173-L186 HydrophobicContact CG2-CD1 3.45Å; V173-L186 VanDerWaalsContact CG2-CD1 3.45Å; L176-L186 HydrophobicContact CD1-CD1 3.86Å; L176-L186 HydrophobicContact CD1-CD2 3.73Å; L176-L186 HydrophobicContact CD1-CG 3.39Å; L183-L186 HydrophobicContact CD2-CD1 4.22Å; L183-L186 WeakPolarHBondContact O-CB 3.25Å; L183-L186 PolarHBondContact O-N 2.82Å; S184-L186 VanDerWaalsContact C-N 3.26Å; S184-L186 PolarHBondContact O-N 3.08Å; L186-L188 VanDerWaalsContact C-N 3.33Å; L186-I189 HydrophobicContact CD2-CD1 4.26Å; L186-I189 WeakPolarHBondContact O-CG1 3.49Å; L186-H190 VanDerWaalsContact O-CB 3.32Å; L186-H190 WeakPolarHBondContact O-CB 3.32Å; L186-H190 PolarHBondContact O-N 3.43Å; L186-H190 PolarHBondContact O-ND1 2.89Å
187A90.5Very high93.4Very high70 Ų7066.2 Ų66.258%0.57934%0.341SS*.Hα-helixtrans-65-40.7177.500000111S184 W185 H190 S191S184-A187 WeakPolarHBondContact O-CB 3.43Å; S184-A187 PolarHBondContact O-N 3.26Å; W185-A187 VanDerWaalsContact C-N 3.32Å; W185-A187 PolarHBondContact O-N 2.88Å; A187-H190 PolarHBondContact O-N 3.17Å; A187-S191 PolarHBondContact O-N 3.19Å; A187-S191 VanDerWaalsContact O-N 3.16Å
188L90.6Very high93.5Very high107 Ų10759.5 Ų59.556%0.5632%0.316SS*.Hα-helixtrans-56.9-56.2175.4-174.677.6000110.8S184 W185 L186 H190 S191S184-L188 PolarHBondContact O-N 3.34Å; W185-L188 WeakPolarHBondContact O-CB 3.38Å; W185-L188 PolarHBondContact O-N 3.08Å; L186-L188 VanDerWaalsContact C-N 3.33Å; L188-H190 VanDerWaalsContact C-N 3.29Å; L188-H190 PolarHBondContact O-N 3.14Å; L188-S191 PolarHBondContact O-N 3.4Å; L188-S191 VanDerWaalsContact O-N 3.08Å; L188-S191 PolarHBondContact O-OG 2.91Å
189I91.1Very high93.5Very high19 Ų1959 Ų5910%0.09732%0.315CS..Hα-helixtrans-66.8-32-175.972.2169.4000112.3L172 W185 L186 S191 V192 Q311L172-I189 HydrophobicContact CD1-CD1 4.24Å; W185-I189 HydrophobicContact CD2-CG2 3.79Å; W185-I189 HydrophobicContact CE3-CD1 3.97Å; W185-I189 HydrophobicContact CE3-CG2 4.16Å; W185-I189 HydrophobicContact CG-CG2 4.34Å; W185-I189 HydrophobicContact CH2-CD1 3.82Å; W185-I189 HydrophobicContact CH2-CG2 4.14Å; W185-I189 HydrophobicContact CZ2-CD1 4.45Å; W185-I189 HydrophobicContact CZ2-CG2 3.7Å; W185-I189 HydrophobicContact CZ3-CD1 3.54Å; W185-I189 HydrophobicContact CZ3-CG2 4.36Å; W185-I189 WeakPolarHBondContact O-CG2 3.27Å; W185-I189 PolarHBondContact O-N 2.87Å; L186-I189 HydrophobicContact CD2-CD1 4.26Å; L186-I189 WeakPolarHBondContact O-CG1 3.49Å; I189-S191 PolarHBondContact O-N 2.77Å; I189-V192 PolarHBondContact O-N 3.44Å; I189-Q311 HydrophobicContact CB-CB 4.49Å; I189-Q311 HydrophobicContact CD1-CB 4.26Å; I189-Q311 HydrophobicContact CG2-CB 4.18Å
190H88.2Confident93.5Very high88 Ų8859 Ų5941%0.40732%0.315SS..Hα-helixtrans-69.4-21.3176-84.975.3000113L186 A187 L188 R193 A337L186-H190 VanDerWaalsContact O-CB 3.32Å; L186-H190 WeakPolarHBondContact O-CB 3.32Å; L186-H190 PolarHBondContact O-N 3.43Å; L186-H190 PolarHBondContact O-ND1 2.89Å; A187-H190 PolarHBondContact O-N 3.17Å; L188-H190 VanDerWaalsContact C-N 3.29Å; L188-H190 PolarHBondContact O-N 3.14Å; H190-R193 VanDerWaalsContact O-CZ 3.25Å; H190-R193 PolarHBondContact O-NH1 2.9Å; H190-R193 PolarHBondContact O-NH2 2.94Å; H190-A337 WeakPolarHBondContact CD2-CB 3.44Å
191S87.5Confident93.4Very high80 Ų8057.9 Ų57.956%0.55931%0.311SS*.Hα-helixtrans-87.4-15.2-178.374.80000113.9A187 L188 I189 R193A187-S191 PolarHBondContact O-N 3.19Å; A187-S191 VanDerWaalsContact O-N 3.16Å; L188-S191 PolarHBondContact O-N 3.4Å; L188-S191 VanDerWaalsContact O-N 3.08Å; L188-S191 PolarHBondContact O-OG 2.91Å; I189-S191 PolarHBondContact O-N 2.77Å; S191-R193 PolarHBondContact O-N 2.96Å
192V88.9Confident93.4Very high22 Ų2250 Ų5013%0.13328%0.282CS..  trans-66.1124.9-174.6-175.50000111.3I189 H214 I334I189-V192 PolarHBondContact O-N 3.44Å; V192-H214 VanDerWaalsContact CG1-CE1 3.48Å; V192-H214 WeakPolarHBondContact CG1-CE1 3.33Å; V192-I334 HydrophobicContact CG1-CD1 3.46Å; V192-I334 VanDerWaalsContact CG1-CD1 3.46Å; V192-I334 HydrophobicContact CG1-CG2 4.47Å; V192-I334 VanDerWaalsContact O-CG2 3.24Å; V192-I334 WeakPolarHBondContact O-CG2 3.43Å
193R92.6Very high93.3Very high129 Ų12946.5 Ų46.549%0.48726%0.263SS..  trans-144.7158.1178.5-60.5-67.5-179.2-79.1-5.7110.1H190 S191 I334 T335 G336H190-R193 VanDerWaalsContact O-CZ 3.25Å; H190-R193 PolarHBondContact O-NH1 2.9Å; H190-R193 PolarHBondContact O-NH2 2.94Å; S191-R193 PolarHBondContact O-N 2.96Å; R193-I334 WeakPolarHBondContact CA-O 3.39Å; R193-T335 VanDerWaalsContact CD-O 3.27Å; R193-T335 WeakPolarHBondContact CD-O 3.37Å; R193-T335 PolarHBondContact NE-O 3.08Å; R193-G336 VanDerWaalsContact CD-CA 3.49Å
194G93.9Very high93.1Very high24 Ų2444.6 Ų44.625%0.24725%0.254CS..EExtended strand (participates in β ladder)trans96.2-167.7173.600000113.5K333 I334G194-K333 CarbonylContact O-C 3.53Å; G194-K333 WeakPolarHBondContact O-CA 3.15Å; G194-I334 PolarHBondContact N-O 2.75Å; G194-I334 PolarHBondContact O-N 2.97Å
195E96.6Very high92.8Very high148 Ų14843.4 Ų43.469%0.69224%0.244SC*.EExtended strand (participates in β ladder)trans-66.3134.2-179.1-61.8-56140.300111G332E195-G332 CarbonylContact C-O 3.57Å; E195-G332 WeakPolarHBondContact CA-O 3.28Å
196A95.7Very high92.3Very high14 Ų1447.9 Ų47.912%0.11626%0.264CS..EExtended strand (participates in β ladder)trans-147.2149.1-175.700000111.9L198 G332 I334A196-L198 HydrophobicContact CB-CD2 4.39Å; A196-G332 PolarHBondContact N-O 3.14Å; A196-G332 PolarHBondContact O-N 3.39Å; A196-G332 VanDerWaalsContact O-N 3.1Å; A196-I334 HydrophobicContact CB-CD1 3.44Å; A196-I334 VanDerWaalsContact CB-CD1 3.44Å; A196-I334 HydrophobicContact CB-CG1 3.9Å
197G96.7Very high92.1Very high18 Ų1847.7 Ų47.719%0.18627%0.265CS..EExtended strand (participates in β ladder)trans-97.8127.9160.900000109.5I215 L330G197-I215 WeakPolarHBondContact O-CB 3.47Å; G197-I215 VanDerWaalsContact O-CG1 3.32Å; G197-I215 WeakPolarHBondContact O-CG1 3.26Å; G197-I215 PolarHBondContact O-N 2.8Å; G197-L330 CarbonylContact C-O 3.43Å; G197-L330 WeakPolarHBondContact CA-O 3.33Å
198L97.3Very high92.2Very high16 Ų1644.8 Ų44.88%0.08424%0.24CC..EExtended strand (participates in β ladder)trans-119.4116.3-179.9-61.9-175.7000109.7A196 V200 F210 A212 M213 H214 F313 I329 L330 I334A196-L198 HydrophobicContact CB-CD2 4.39Å; L198-V200 PolarHBondContact O-N 2.97Å; L198-F210 HydrophobicContact CD1-CE2 4.27Å; L198-F210 HydrophobicContact CD1-CZ 4.22Å; L198-A212 HydrophobicContact CB-CB 3.93Å; L198-M213 WeakPolarHBondContact CA-O 3.48Å; L198-H214 HydrophobicContact CD2-CB 4.11Å; L198-F313 HydrophobicContact CD1-CD1 3.86Å; L198-F313 HydrophobicContact CD1-CD2 4.15Å; L198-F313 HydrophobicContact CD1-CE1 3.7Å; L198-F313 HydrophobicContact CD1-CE2 4Å; L198-F313 HydrophobicContact CD1-CG 4.06Å; L198-F313 HydrophobicContact CD1-CZ 3.74Å; L198-F313 HydrophobicContact CD2-CE1 3.99Å; L198-F313 HydrophobicContact CD2-CE2 3.83Å; L198-F313 HydrophobicContact CD2-CZ 3.36Å; L198-F313 HydrophobicContact CG-CE2 4.48Å; L198-F313 HydrophobicContact CG-CZ 4.2Å; L198-I329 CarbonylContact O-C 3.58Å; L198-I329 WeakPolarHBondContact O-CA 3.45Å; L198-L330 PolarHBondContact N-O 2.8Å; L198-L330 PolarHBondContact O-N 2.91Å; L198-I334 HydrophobicContact CD2-CD1 4.26Å
199L96.7Very high92.3Very high47 Ų4740.1 Ų40.125%0.24622%0.215CC..EExtended strand (participates in β ladder)trans-82.7109.2171.1175.862.6000108.9T201 A212 M213 I215 I329L199-T201 PolarHBondContact O-N 2.79Å; L199-A212 CarbonylContact O-C 3.53Å; L199-A212 WeakPolarHBondContact O-CA 3.39Å; L199-A212 VanDerWaalsContact O-CB 3.25Å; L199-A212 WeakPolarHBondContact O-CB 3.38Å; L199-M213 HydrophobicContact CB-CB 4.36Å; L199-M213 HydrophobicContact CD2-SD 4.2Å; L199-M213 PolarHBondContact N-O 3.36Å; L199-M213 PolarHBondContact O-N 2.88Å; L199-I215 HydrophobicContact CB-CD1 4.28Å; L199-I215 HydrophobicContact CB-CG1 4.33Å; L199-I329 HydrophobicContact CD1-CG1 4.15Å
200V96Very high92.6Very high0 Ų039.5 Ų39.50%021%0.212CC..EExtended strand (participates in β ladder)trans-70.1125.1-178.2-179.20000110L198 I203 F210 V325 H327 R328 L330L198-V200 PolarHBondContact O-N 2.97Å; V200-I203 HydrophobicContact CG1-CG2 3.77Å; V200-F210 HydrophobicContact CG1-CD2 4.31Å; V200-F210 HydrophobicContact CG2-CD2 4.09Å; V200-F210 HydrophobicContact CG2-CE2 4.23Å; V200-V325 WeakPolarHBondContact CB-O 3.46Å; V200-H327 WeakPolarHBondContact O-CA 3.19Å; V200-H327 PolarHBondContact O-N 3.12Å; V200-R328 PolarHBondContact N-O 3.31Å; V200-L330 HydrophobicContact CG2-CD1 3.53Å; V200-L330 HydrophobicContact CG2-CG 3.66Å
201T94.8Very high93Very high3 Ų335.5 Ų35.52%0.01819%0.193CC..EExtended strand (participates in β ladder)trans-107.1-30.8-179570000112.8L199 W211 M213 F284 T310 V326L199-T201 PolarHBondContact O-N 2.79Å; T201-W211 PolarHBondContact N-O 3.34Å; T201-W211 PolarHBondContact OG1-O 2.85Å; T201-M213 HydrophobicContact CG2-CE 3.81Å; T201-M213 HydrophobicContact CG2-CG 3.72Å; T201-M213 HydrophobicContact CG2-SD 4.27Å; T201-F284 VanDerWaalsContact CB-O 3.23Å; T201-F284 WeakPolarHBondContact CB-O 3.42Å; T201-F284 HydrophobicContact CG2-CD1 4.36Å; T201-F284 PolarHBondContact OG1-O 2.97Å; T201-T310 PolarHBondContact OG1-OG1 2.88Å; T201-V326 WeakPolarHBondContact O-CG1 3.46Å
202S93.8Very high93.5Very high7 Ų731.7 Ų31.75%0.04917%0.166CC..EExtended strand (participates in β ladder)trans-153.8154.4174.9-178.60000110.4F210 W211 Q286S202-F210 CarbonylContact O-C 3.5Å; S202-F210 WeakPolarHBondContact O-CA 3.35Å; S202-F210 WeakPolarHBondContact O-CB 3.31Å; S202-W211 PolarHBondContact N-O 2.78Å; S202-W211 PolarHBondContact O-N 2.87Å; S202-Q286 PolarHBondContact OG-OE1 2.89Å
203I92.9Very high93.9Very high7 Ų730.9 Ų30.94%0.03616%0.161CC..EExtended strand (participates in β ladder)trans-125.7151.7175.562.6168.7000109.9V200 P205 F210 L320 S322 Y323 V325 V326V200-I203 HydrophobicContact CG1-CG2 3.77Å; I203-P205 WeakPolarHBondContact O-CD 3.48Å; I203-F210 HydrophobicContact CG2-CB 4.09Å; I203-L320 HydrophobicContact CG2-CB 4.2Å; I203-L320 HydrophobicContact CG2-CD1 3.86Å; I203-S322 WeakPolarHBondContact CD1-O 3.5Å; I203-Y323 HydrophobicContact CD1-CD1 4.09Å; I203-Y323 HydrophobicContact CD1-CE1 4.39Å; I203-Y323 HydrophobicContact CD1-CG 4.33Å; I203-Y323 HydrophobicContact CG1-CD1 4.05Å; I203-Y323 HydrophobicContact CG1-CE1 4.09Å; I203-V325 HydrophobicContact CG2-CG2 3.8Å; I203-V326 HydrophobicContact CG1-CG2 4.23Å; I203-V326 HydrophobicContact CG2-CG2 4.15Å
204V90.6Very high94Very high25 Ų2526.8 Ų26.815%0.15215%0.147CC..  trans-101.4103.2166-1790000107.6P164 M167 K206 T207 F209P164-V204 HydrophobicContact CB-CG2 4.43Å; P164-V204 HydrophobicContact CG-CB 4.34Å; P164-V204 HydrophobicContact CG-CG1 3.84Å; P164-V204 HydrophobicContact CG-CG2 4.1Å; M167-V204 HydrophobicContact CE-CG2 3.55Å; V204-K206 PolarHBondContact O-N 3.1Å; V204-T207 VanDerWaalsContact CB-OG1 3.26Å; V204-T207 WeakPolarHBondContact CB-OG1 3.34Å; V204-T207 HydrophobicContact CG1-CG2 3.78Å; V204-T207 WeakPolarHBondContact CG1-OG1 3.09Å; V204-T207 PolarHBondContact O-N 3.26Å; V204-T207 VanDerWaalsContact O-N 3.12Å; V204-T207 PolarHBondContact O-OG1 3.33Å; V204-F209 HydrophobicContact CB-CB 4.4Å; V204-F209 HydrophobicContact CG2-CB 4.45Å; V204-F209 PolarHBondContact N-O 3.13Å
205P86.3Confident94.1Very high45 Ų4529.2 Ų29.229%0.29215%0.154SC..THydrogen-bonded Turntrans-56.1139.8-168.9-2633.7000112.8I203 T207 Y323I203-P205 WeakPolarHBondContact O-CD 3.48Å; P205-T207 PolarHBondContact O-N 3.02Å; P205-Y323 HydrophobicContact CG-CE1 4.45Å; P205-Y323 HydrophobicContact CG-CE2 4.24Å; P205-Y323 VanDerWaalsContact CG-OH 3.29Å; P205-Y323 WeakPolarHBondContact CG-OH 3.33Å
206K84.4Confident94.1Very high112 Ų11224.8 Ų24.849%0.48714%0.137SC..THydrogen-bonded Turntrans64.218.1179.8-50.7-179.3169.6-170.60114.1G68 F161 V204 I319G68-K206 VanDerWaalsContact N-NZ 3.13Å; F161-K206 VanDerWaalsContact CE1-O 3.28Å; F161-K206 WeakPolarHBondContact CE1-O 3.18Å; V204-K206 PolarHBondContact O-N 3.1Å; K206-I319 VanDerWaalsContact C-CG2 3.42Å
207T89.6Confident94.1Very high21 Ų2131.3 Ų31.313%0.12917%0.165CC..BIsolated β-bridgetrans-128.5159.5172.9800000109.6F161 V204 P205 F209F161-T207 HydrophobicContact CD1-CG2 4.23Å; V204-T207 VanDerWaalsContact CB-OG1 3.26Å; V204-T207 WeakPolarHBondContact CB-OG1 3.34Å; V204-T207 HydrophobicContact CG1-CG2 3.78Å; V204-T207 WeakPolarHBondContact CG1-OG1 3.09Å; V204-T207 PolarHBondContact O-N 3.26Å; V204-T207 VanDerWaalsContact O-N 3.12Å; V204-T207 PolarHBondContact O-OG1 3.33Å; P205-T207 PolarHBondContact O-N 3.02Å; T207-F209 PolarHBondContact O-N 3.39Å; T207-F209 PolarHBondContact OG1-N 3.27Å
208P91.9Very high94Very high9 Ų933 Ų336%0.05818%0.177CC..SBendtrans-74.2-1.7175.831.5-36.4000112.9F161 M314 L315F161-P208 VanDerWaalsContact CD2-CD 3.47Å; F161-P208 HydrophobicContact CD2-CG 3.83Å; F161-P208 HydrophobicContact CE2-CG 4.24Å; F161-P208 HydrophobicContact CG-CG 4.26Å; P208-M314 HydrophobicContact CB-CG 3.79Å; P208-M314 HydrophobicContact CG-CG 3.77Å; P208-M314 HydrophobicContact CG-SD 4.24Å; P208-M314 CarbonylContact O-C 3.58Å; P208-M314 WeakPolarHBondContact O-CA 3.5Å; P208-L315 HydrophobicContact CB-CB 4.18Å; P208-L315 WeakPolarHBondContact CB-O 3.17Å; P208-L315 PolarHBondContact O-N 3.28Å
209F93.8Very high93.9Very high9 Ų933 Ų334%0.03918%0.177CC..EExtended strand (participates in β ladder)trans-88.8137.2-173.9-57.4-75.4000112.4F161 V163 P164 M167 V204 T207 F313 M314 L338F161-F209 HydrophobicContact CB-CE2 3.92Å; V163-F209 HydrophobicContact CB-CZ 4.36Å; V163-F209 HydrophobicContact CG1-CE1 4.37Å; V163-F209 HydrophobicContact CG1-CZ 4.34Å; V163-F209 HydrophobicContact CG2-CZ 3.96Å; P164-F209 HydrophobicContact CG-CB 4.45Å; P164-F209 HydrophobicContact CG-CD2 3.94Å; P164-F209 HydrophobicContact CG-CG 4.36Å; M167-F209 HydrophobicContact CB-CD1 4.42Å; M167-F209 HydrophobicContact CE-CB 3.79Å; M167-F209 HydrophobicContact CG-CB 3.93Å; M167-F209 HydrophobicContact CG-CD1 4.34Å; M167-F209 HydrophobicContact CG-CG 4.22Å; M167-F209 HydrophobicContact SD-CB 4.02Å; V204-F209 HydrophobicContact CB-CB 4.4Å; V204-F209 HydrophobicContact CG2-CB 4.45Å; V204-F209 PolarHBondContact N-O 3.13Å; T207-F209 PolarHBondContact O-N 3.39Å; T207-F209 PolarHBondContact OG1-N 3.27Å; F209-F313 WeakPolarHBondContact CA-O 3.4Å; F209-M314 HydrophobicContact CD1-CB 3.94Å; F209-M314 HydrophobicContact CD1-CG 3.91Å; F209-M314 HydrophobicContact CD1-SD 4.39Å; F209-M314 HydrophobicContact CE1-CB 3.98Å; F209-M314 HydrophobicContact CE1-CG 3.73Å; F209-M314 HydrophobicContact CE1-SD 3.6Å; F209-M314 VanDerWaalsContact CE1-SD 3.6Å; F209-M314 HydrophobicContact CZ-CG 4.34Å; F209-M314 HydrophobicContact CZ-SD 3.86Å; F209-L338 HydrophobicContact CE1-CD2 4.21Å
210F96.1Very high93.8Very high6 Ų636.5 Ų36.53%0.02619%0.192CC..EExtended strand (participates in β ladder)trans-153.9159.5176.966.6-78.7000110.5L198 V200 S202 I203 A212 F313 L315 L320 L330L198-F210 HydrophobicContact CD1-CE2 4.27Å; L198-F210 HydrophobicContact CD1-CZ 4.22Å; V200-F210 HydrophobicContact CG1-CD2 4.31Å; V200-F210 HydrophobicContact CG2-CD2 4.09Å; V200-F210 HydrophobicContact CG2-CE2 4.23Å; S202-F210 CarbonylContact O-C 3.5Å; S202-F210 WeakPolarHBondContact O-CA 3.35Å; S202-F210 WeakPolarHBondContact O-CB 3.31Å; I203-F210 HydrophobicContact CG2-CB 4.09Å; F210-A212 HydrophobicContact CD2-CB 4.03Å; F210-A212 HydrophobicContact CE2-CB 3.84Å; F210-F313 HydrophobicContact CD1-CB 4.05Å; F210-F313 HydrophobicContact CD2-CB 4.23Å; F210-F313 HydrophobicContact CE1-CB 3.51Å; F210-F313 HydrophobicContact CE2-CB 3.75Å; F210-F313 HydrophobicContact CE2-CD2 4.15Å; F210-F313 HydrophobicContact CE2-CG 4.18Å; F210-F313 HydrophobicContact CG-CB 4.38Å; F210-F313 HydrophobicContact CZ-CB 3.36Å; F210-F313 HydrophobicContact CZ-CD2 4.47Å; F210-F313 HydrophobicContact CZ-CG 4.04Å; F210-F313 PolarHBondContact N-O 3.5Å; F210-F313 PolarHBondContact O-N 2.97Å; F210-L315 HydrophobicContact CD1-CG 4.26Å; F210-L315 HydrophobicContact CE1-CD2 3.86Å; F210-L315 HydrophobicContact CE1-CG 3.78Å; F210-L315 HydrophobicContact CZ-CD2 4.35Å; F210-L320 HydrophobicContact CB-CD1 3.94Å; F210-L320 HydrophobicContact CD1-CD1 4.02Å; F210-L320 HydrophobicContact CD2-CD1 4.39Å; F210-L320 HydrophobicContact CG-CD1 3.86Å; F210-L330 HydrophobicContact CE2-CD1 4.3Å; F210-L330 HydrophobicContact CZ-CD1 4.42Å
211W97Very high93.9Very high4 Ų441.4 Ų41.42%0.01522%0.215CC..EExtended strand (participates in β ladder)trans-103.1138.5172.2-73.892.2000109.4E166 M167 L172 T201 S202 M280 G285 T310 P312E166-W211 HydrophobicContact CB-CZ2 4.26Å; E166-W211 WeakPolarHBondContact O-CZ2 3.3Å; M167-W211 HydrophobicContact CE-CG 4.09Å; M167-W211 VanDerWaalsContact CE-NE1 3.28Å; L172-W211 HydrophobicContact CD2-CH2 3.53Å; L172-W211 HydrophobicContact CD2-CZ2 4.29Å; L172-W211 HydrophobicContact CD2-CZ3 4.35Å; T201-W211 PolarHBondContact N-O 3.34Å; T201-W211 PolarHBondContact OG1-O 2.85Å; S202-W211 PolarHBondContact N-O 2.78Å; S202-W211 PolarHBondContact O-N 2.87Å; W211-M280 HydrophobicContact CH2-CE 3.77Å; W211-M280 HydrophobicContact CZ2-CE 3.39Å; W211-G285 VanDerWaalsContact CD2-CA 3.44Å; W211-G285 VanDerWaalsContact CG-CA 3.5Å; W211-G285 PolarHBondContact NE1-O 3.37Å; W211-T310 HydrophobicContact CE3-CG2 3.7Å; W211-T310 HydrophobicContact CZ3-CG2 4.15Å; W211-P312 HydrophobicContact CD2-CB 4.31Å; W211-P312 HydrophobicContact CE3-CB 4.43Å; W211-P312 HydrophobicContact CH2-CG 4.44Å; W211-P312 HydrophobicContact CZ2-CB 4.42Å; W211-P312 HydrophobicContact CZ3-CG 4.47Å
212A97.4Very high93.9Very high0 Ų043.8 Ų43.80%023%0.227CC..EExtended strand (participates in β ladder)trans-149.7153.217600000112.7L198 L199 F210 T310 Q311 F313L198-A212 HydrophobicContact CB-CB 3.93Å; L199-A212 CarbonylContact O-C 3.53Å; L199-A212 WeakPolarHBondContact O-CA 3.39Å; L199-A212 VanDerWaalsContact O-CB 3.25Å; L199-A212 WeakPolarHBondContact O-CB 3.38Å; F210-A212 HydrophobicContact CD2-CB 4.03Å; F210-A212 HydrophobicContact CE2-CB 3.84Å; A212-T310 WeakPolarHBondContact CA-OG1 3.15Å; A212-T310 PolarHBondContact N-OG1 3.1Å; A212-T310 VanDerWaalsContact N-OG1 3.08Å; A212-T310 WeakPolarHBondContact O-CA 3.35Å; A212-T310 PolarHBondContact O-OG1 3.36Å; A212-T310 VanDerWaalsContact O-OG1 3.08Å; A212-Q311 PolarHBondContact N-O 3.27Å; A212-Q311 VanDerWaalsContact N-O 3.07Å; A212-Q311 PolarHBondContact O-N 3.42Å; A212-F313 HydrophobicContact CB-CD2 3.81Å; A212-F313 HydrophobicContact CB-CE2 3.81Å
213M97.3Very high94Very high4 Ų446 Ų462%0.0224%0.237CC..EExtended strand (participates in β ladder)trans-84.9130.2167.7-53177.7177.400109.4L198 L199 T201 I215 L219 M223 D283 F284 L309L198-M213 WeakPolarHBondContact CA-O 3.48Å; L199-M213 HydrophobicContact CB-CB 4.36Å; L199-M213 HydrophobicContact CD2-SD 4.2Å; L199-M213 PolarHBondContact N-O 3.36Å; L199-M213 PolarHBondContact O-N 2.88Å; T201-M213 HydrophobicContact CG2-CE 3.81Å; T201-M213 HydrophobicContact CG2-CG 3.72Å; T201-M213 HydrophobicContact CG2-SD 4.27Å; M213-I215 PolarHBondContact O-N 2.96Å; M213-L219 HydrophobicContact CB-CD1 4.12Å; M213-L219 HydrophobicContact CB-CD2 3.63Å; M213-M223 HydrophobicContact SD-CE 4.23Å; M213-M223 HydrophobicContact SD-SD 4Å; M213-D283 VanDerWaalsContact CE-O 3.29Å; M213-D283 WeakPolarHBondContact CE-O 3.46Å; M213-F284 HydrophobicContact CE-CE1 4.3Å; M213-L309 HydrophobicContact CE-CB 4.12Å; M213-L309 HydrophobicContact CE-CD1 4.42Å; M213-L309 WeakPolarHBondContact CG-O 3.32Å; M213-L309 HydrophobicContact SD-CB 4.46Å
214H96.1Very high94.1Very high43 Ų4351.4 Ų51.420%0.19926%0.263CS..EExtended strand (participates in β ladder)trans-81.1109.6174.6179.7-149.1000110.4V192 L198 T216 L219V192-H214 VanDerWaalsContact CG1-CE1 3.48Å; V192-H214 WeakPolarHBondContact CG1-CE1 3.33Å; L198-H214 HydrophobicContact CD2-CB 4.11Å; H214-T216 PolarHBondContact O-N 3.22Å; H214-T216 PolarHBondContact O-OG1 3.41Å; H214-L219 WeakPolarHBondContact O-CD2 3.23Å
215I96.5Very high94.3Very high75 Ų7552.3 Ų52.339%0.38527%0.273SS..  trans-69.5105.9-171.8-57.2173.1000109.8G197 L199 M213 I329G197-I215 WeakPolarHBondContact O-CB 3.47Å; G197-I215 VanDerWaalsContact O-CG1 3.32Å; G197-I215 WeakPolarHBondContact O-CG1 3.26Å; G197-I215 PolarHBondContact O-N 2.8Å; L199-I215 HydrophobicContact CB-CD1 4.28Å; L199-I215 HydrophobicContact CB-CG1 4.33Å; M213-I215 PolarHBondContact O-N 2.96Å; I215-I329 HydrophobicContact CD1-CB 4.32Å; I215-I329 HydrophobicContact CD1-CD1 3.72Å; I215-I329 HydrophobicContact CD1-CG1 3.79Å; I215-I329 HydrophobicContact CD1-CG2 3.63Å
216T95.4Very high94.8Very high56 Ų5650.3 Ų50.334%0.34426%0.26SS..  trans-141.8164.7-179.858.40000109.4H214 A218 L219 H220H214-T216 PolarHBondContact O-N 3.22Å; H214-T216 PolarHBondContact O-OG1 3.41Å; T216-A218 VanDerWaalsContact C-N 3.29Å; T216-A218 PolarHBondContact O-N 3.47Å; T216-L219 WeakPolarHBondContact O-CB 3.45Å; T216-L219 PolarHBondContact O-N 3.15Å; T216-L219 WeakPolarHBondContact OG1-CB 3.22Å; T216-L219 PolarHBondContact OG1-N 3.04Å; T216-L219 VanDerWaalsContact OG1-N 3.1Å; T216-H220 PolarHBondContact O-N 3.38Å
217E95.4Very high95.1Very high151 Ų15147.8 Ų47.871%0.70625%0.249SC*.Hα-helixtrans-61.2-40.7173.3-171.7179.6176.500111.6L219 H220 Q221E217-L219 VanDerWaalsContact C-N 3.33Å; E217-L219 PolarHBondContact O-N 3.27Å; E217-H220 WeakPolarHBondContact O-CB 3.47Å; E217-H220 PolarHBondContact O-N 2.92Å; E217-H220 VanDerWaalsContact O-N 3.14Å; E217-Q221 WeakPolarHBondContact O-CG 3.37Å; E217-Q221 PolarHBondContact O-N 2.85Å; E217-Q221 PolarHBondContact OE1-NE2 2.87Å
218A95Very high95.2Very high52 Ų5249.5 Ų49.543%0.4326%0.262SS..Hα-helixtrans-60.9-40.2175.900000112.3T216 H220 Q221 N222T216-A218 VanDerWaalsContact C-N 3.29Å; T216-A218 PolarHBondContact O-N 3.47Å; A218-H220 VanDerWaalsContact C-N 3.34Å; A218-H220 PolarHBondContact O-N 2.91Å; A218-Q221 PolarHBondContact O-N 2.82Å; A218-N222 WeakPolarHBondContact O-CB 3.38Å; A218-N222 PolarHBondContact O-N 2.96Å; A218-N222 PolarHBondContact O-ND2 3.16Å
219L95.8Very high95.2Very high18 Ų1852 Ų529%0.09428%0.277CS..Hα-helixtrans-59-47.3173.5176.572.9000110.8M213 H214 T216 E217 Q221 N222 M223 L309M213-L219 HydrophobicContact CB-CD1 4.12Å; M213-L219 HydrophobicContact CB-CD2 3.63Å; H214-L219 WeakPolarHBondContact O-CD2 3.23Å; T216-L219 WeakPolarHBondContact O-CB 3.45Å; T216-L219 PolarHBondContact O-N 3.15Å; T216-L219 WeakPolarHBondContact OG1-CB 3.22Å; T216-L219 PolarHBondContact OG1-N 3.04Å; T216-L219 VanDerWaalsContact OG1-N 3.1Å; E217-L219 VanDerWaalsContact C-N 3.33Å; E217-L219 PolarHBondContact O-N 3.27Å; L219-Q221 PolarHBondContact O-N 3.48Å; L219-N222 PolarHBondContact O-N 3.08Å; L219-M223 HydrophobicContact CD1-CG 4.13Å; L219-M223 HydrophobicContact CD1-SD 4.22Å; L219-M223 HydrophobicContact CD2-SD 4.14Å; L219-M223 HydrophobicContact CG-CG 4.19Å; L219-M223 HydrophobicContact CG-SD 3.88Å; L219-M223 WeakPolarHBondContact O-CB 3.37Å; L219-M223 VanDerWaalsContact O-CG 3.32Å; L219-M223 WeakPolarHBondContact O-CG 3.36Å; L219-M223 PolarHBondContact O-N 2.97Å; L219-L309 HydrophobicContact CD1-CB 4.18Å; L219-L309 HydrophobicContact CD1-CD2 4Å
220H94.5Very high95.1Very high120 Ų12051.8 Ų51.856%0.55628%0.276SS*.Hα-helixtrans-59.6-46.1-178.817863.8000111.8T216 E217 A218 M223 Q224T216-H220 PolarHBondContact O-N 3.38Å; E217-H220 WeakPolarHBondContact O-CB 3.47Å; E217-H220 PolarHBondContact O-N 2.92Å; E217-H220 VanDerWaalsContact O-N 3.14Å; A218-H220 VanDerWaalsContact C-N 3.34Å; A218-H220 PolarHBondContact O-N 2.91Å; H220-M223 PolarHBondContact O-N 3.48Å; H220-Q224 WeakPolarHBondContact O-CB 3.36Å; H220-Q224 PolarHBondContact O-N 3.01Å
221Q97.2Very high94.7Very high103 Ų10354.5 Ų54.548%0.48130%0.3SS..Hα-helixtrans-60.8-45.8176.3-67.3170.50.900111.6E217 A218 L219 Q224 A225E217-Q221 WeakPolarHBondContact O-CG 3.37Å; E217-Q221 PolarHBondContact O-N 2.85Å; E217-Q221 PolarHBondContact OE1-NE2 2.87Å; A218-Q221 PolarHBondContact O-N 2.82Å; L219-Q221 PolarHBondContact O-N 3.48Å; Q221-Q224 PolarHBondContact O-N 3.1Å; Q221-A225 WeakPolarHBondContact O-CB 3.27Å; Q221-A225 PolarHBondContact O-N 3.41Å
222N96.3Very high94.3Very high52 Ų5261.7 Ų61.728%0.27833%0.334SS..Hα-helixtrans-63.3-43.8178.1-74.6-13000112.3A218 L219 A225 L226 I306 L309A218-N222 WeakPolarHBondContact O-CB 3.38Å; A218-N222 PolarHBondContact O-N 2.96Å; A218-N222 PolarHBondContact O-ND2 3.16Å; L219-N222 PolarHBondContact O-N 3.08Å; N222-A225 PolarHBondContact O-N 3.23Å; N222-L226 VanDerWaalsContact O-CB 3.23Å; N222-L226 WeakPolarHBondContact O-CB 3.46Å; N222-L226 PolarHBondContact O-N 2.91Å; N222-I306 HydrophobicContact CB-CG2 3.77Å; N222-L309 HydrophobicContact CB-CD2 3.88Å
223M94.8Very high93.9Very high53 Ų5362.2 Ų62.226%0.26134%0.338SS..Hα-helixtrans-60.7-48.2175.9-75.9179.37200111M213 L219 H220 A225 L226 F227 L309M213-M223 HydrophobicContact SD-CE 4.23Å; M213-M223 HydrophobicContact SD-SD 4Å; L219-M223 HydrophobicContact CD1-CG 4.13Å; L219-M223 HydrophobicContact CD1-SD 4.22Å; L219-M223 HydrophobicContact CD2-SD 4.14Å; L219-M223 HydrophobicContact CG-CG 4.19Å; L219-M223 HydrophobicContact CG-SD 3.88Å; L219-M223 WeakPolarHBondContact O-CB 3.37Å; L219-M223 VanDerWaalsContact O-CG 3.32Å; L219-M223 WeakPolarHBondContact O-CG 3.36Å; L219-M223 PolarHBondContact O-N 2.97Å; H220-M223 PolarHBondContact O-N 3.48Å; M223-A225 PolarHBondContact O-N 2.69Å; M223-L226 PolarHBondContact O-N 3.14Å; M223-F227 HydrophobicContact CB-CD2 4.14Å; M223-F227 HydrophobicContact CB-CE2 4.14Å; M223-F227 HydrophobicContact CE-CE2 3.96Å; M223-F227 HydrophobicContact CG-CE2 4.13Å; M223-F227 WeakPolarHBondContact O-CB 3.31Å; M223-F227 WeakPolarHBondContact O-CD2 3.44Å; M223-F227 PolarHBondContact O-N 3.46Å; M223-L309 HydrophobicContact CG-CD1 3.78Å; M223-L309 HydrophobicContact CG-CD2 4.09Å
224Q94.9Very high93.2Very high121 Ų12165.5 Ų65.557%0.56535%0.353SS*.Hα-helixtrans-61.1-47.3-179.6-176.4178.4-5.700111H220 Q221 S228H220-Q224 WeakPolarHBondContact O-CB 3.36Å; H220-Q224 PolarHBondContact O-N 3.01Å; Q221-Q224 PolarHBondContact O-N 3.1Å; Q224-S228 WeakPolarHBondContact O-CB 3.23Å; Q224-S228 PolarHBondContact O-N 3.03Å; Q224-S228 VanDerWaalsContact O-N 3.14Å; Q224-S228 PolarHBondContact O-OG 3.2Å
225A95.7Very high92.6Very high45 Ų4571.8 Ų71.837%0.37238%0.383SS..Hα-helixtrans-61.2-54.7177.700000111.2Q221 N222 M223 F227 S228 T229 I306Q221-A225 WeakPolarHBondContact O-CB 3.27Å; Q221-A225 PolarHBondContact O-N 3.41Å; N222-A225 PolarHBondContact O-N 3.23Å; M223-A225 PolarHBondContact O-N 2.69Å; A225-F227 PolarHBondContact O-N 2.96Å; A225-S228 PolarHBondContact O-N 2.81Å; A225-T229 PolarHBondContact O-N 2.81Å; A225-T229 PolarHBondContact O-OG1 2.84Å; A225-I306 HydrophobicContact CB-CD1 3.76Å
226L95.1Very high92.2Very high2 Ų275.5 Ų75.51%0.0140%0.398CS..Hα-helixtrans-59.8-53.7-175.217961.1000112.2N222 M223 S228 T229 L230 R266 I306 L309N222-L226 VanDerWaalsContact O-CB 3.23Å; N222-L226 WeakPolarHBondContact O-CB 3.46Å; N222-L226 PolarHBondContact O-N 2.91Å; M223-L226 PolarHBondContact O-N 3.14Å; L226-S228 VanDerWaalsContact C-N 3.31Å; L226-S228 PolarHBondContact O-N 3.24Å; L226-T229 PolarHBondContact O-N 3.19Å; L226-L230 HydrophobicContact CD1-CD1 3.98Å; L226-L230 HydrophobicContact CD1-CG 4.07Å; L226-L230 HydrophobicContact CG-CD1 3.97Å; L226-L230 HydrophobicContact CG-CG 4.4Å; L226-L230 WeakPolarHBondContact O-CB 3.24Å; L226-L230 VanDerWaalsContact O-CG 3.32Å; L226-L230 WeakPolarHBondContact O-CG 3.42Å; L226-L230 PolarHBondContact O-N 3.34Å; L226-R266 HydrophobicContact CD1-CG 4.47Å; L226-I306 HydrophobicContact CB-CD1 3.71Å; L226-I306 HydrophobicContact CB-CG2 4.42Å; L226-I306 HydrophobicContact CD1-CD1 4.45Å; L226-L309 HydrophobicContact CD2-CD1 3.91Å; L226-L309 HydrophobicContact CD2-CG 4.25Å
227F91.4Very high92.1Very high60 Ų6074.6 Ų74.626%0.26339%0.39SS..Hα-helixtrans-70.5-29.4-175.4-64.7-52.3000112.5M223 A225 L230 A231 N265 F284 L309M223-F227 HydrophobicContact CB-CD2 4.14Å; M223-F227 HydrophobicContact CB-CE2 4.14Å; M223-F227 HydrophobicContact CE-CE2 3.96Å; M223-F227 HydrophobicContact CG-CE2 4.13Å; M223-F227 WeakPolarHBondContact O-CB 3.31Å; M223-F227 WeakPolarHBondContact O-CD2 3.44Å; M223-F227 PolarHBondContact O-N 3.46Å; A225-F227 PolarHBondContact O-N 2.96Å; F227-L230 HydrophobicContact CD1-CD1 4.22Å; F227-A231 VanDerWaalsContact O-CB 3.28Å; F227-A231 WeakPolarHBondContact O-CB 3.29Å; F227-A231 PolarHBondContact O-N 2.86Å; F227-N265 WeakPolarHBondContact CE1-OD1 3.43Å; F227-F284 HydrophobicContact CZ-CZ 4.37Å; F227-L309 HydrophobicContact CE2-CD1 3.77Å; F227-L309 HydrophobicContact CZ-CD1 3.67Å
228S91.3Very high92Very high56 Ų5671.2 Ų71.239%0.39238%0.381SS..Hα-helixtrans-66-44.8172-59.40000111.5Q224 A225 L226 A231 Q232Q224-S228 WeakPolarHBondContact O-CB 3.23Å; Q224-S228 PolarHBondContact O-N 3.03Å; Q224-S228 VanDerWaalsContact O-N 3.14Å; Q224-S228 PolarHBondContact O-OG 3.2Å; A225-S228 PolarHBondContact O-N 2.81Å; L226-S228 VanDerWaalsContact C-N 3.31Å; L226-S228 PolarHBondContact O-N 3.24Å; S228-A231 PolarHBondContact O-N 3.43Å; S228-Q232 WeakPolarHBondContact O-CG 3.4Å; S228-Q232 PolarHBondContact O-N 3.01Å; S228-Q232 VanDerWaalsContact O-N 3.16Å
229T92.1Very high92.1Very high61 Ų6174.7 Ų74.737%0.37438%0.384SS..Hα-helixtrans-66.7-41178.1-53.10000111.4A225 L226 Q232 A233 F303A225-T229 PolarHBondContact O-N 2.81Å; A225-T229 PolarHBondContact O-OG1 2.84Å; L226-T229 PolarHBondContact O-N 3.19Å; T229-Q232 PolarHBondContact O-N 3.41Å; T229-A233 WeakPolarHBondContact O-CB 3.44Å; T229-A233 PolarHBondContact O-N 3.5Å; T229-F303 HydrophobicContact CG2-CD1 4.06Å; T229-F303 HydrophobicContact CG2-CE1 3.58Å; T229-F303 HydrophobicContact CG2-CZ 4.27Å
230L91.3Very high92Very high5 Ų574.7 Ų74.73%0.02638%0.384CS..Hα-helixtrans-62.8-45.2176.1-73.3179.5000112.2L226 F227 Q232 A233 E234 L252 R266 L298 F303L226-L230 HydrophobicContact CD1-CD1 3.98Å; L226-L230 HydrophobicContact CD1-CG 4.07Å; L226-L230 HydrophobicContact CG-CD1 3.97Å; L226-L230 HydrophobicContact CG-CG 4.4Å; L226-L230 WeakPolarHBondContact O-CB 3.24Å; L226-L230 VanDerWaalsContact O-CG 3.32Å; L226-L230 WeakPolarHBondContact O-CG 3.42Å; L226-L230 PolarHBondContact O-N 3.34Å; F227-L230 HydrophobicContact CD1-CD1 4.22Å; L230-Q232 VanDerWaalsContact C-N 3.3Å; L230-Q232 PolarHBondContact O-N 2.76Å; L230-A233 PolarHBondContact O-N 3.24Å; L230-A233 VanDerWaalsContact O-N 3.15Å; L230-E234 PolarHBondContact O-N 2.78Å; L230-L252 HydrophobicContact CD2-CD2 3.66Å; L230-R266 HydrophobicContact CD1-CG 4.25Å; L230-L298 HydrophobicContact CD2-CD1 4.29Å; L230-L298 HydrophobicContact CD2-CD2 4.25Å; L230-F303 HydrophobicContact CD2-CD1 3.71Å; L230-F303 HydrophobicContact CD2-CE1 3.98Å
231A88.8Confident92Very high63 Ų6375.8 Ų75.852%0.52139%0.39SS..Hα-helixtrans-61.7-37.4178.400000112.3F227 S228F227-A231 VanDerWaalsContact O-CB 3.28Å; F227-A231 WeakPolarHBondContact O-CB 3.29Å; F227-A231 PolarHBondContact O-N 2.86Å; S228-A231 PolarHBondContact O-N 3.43Å
232Q88.9Confident91.7Very high156 Ų15674.5 Ų74.573%0.72939%0.386SS*.Hα-helixtrans-70.5-34175.6-70.2172.523.800112.6S228 T229 L230S228-Q232 WeakPolarHBondContact O-CG 3.4Å; S228-Q232 PolarHBondContact O-N 3.01Å; S228-Q232 VanDerWaalsContact O-N 3.16Å; T229-Q232 PolarHBondContact O-N 3.41Å; L230-Q232 VanDerWaalsContact C-N 3.3Å; L230-Q232 PolarHBondContact O-N 2.76Å
233A87.4Confident91.6Very high11 Ų1177.2 Ų77.29%0.09141%0.409CS..Hα-helixtrans-84.1-17.1-17800000113.4T229 L230 E235 Q236 Q237 F303T229-A233 WeakPolarHBondContact O-CB 3.44Å; T229-A233 PolarHBondContact O-N 3.5Å; L230-A233 PolarHBondContact O-N 3.24Å; L230-A233 VanDerWaalsContact O-N 3.15Å; A233-E235 PolarHBondContact O-N 3.09Å; A233-Q236 PolarHBondContact O-N 2.86Å; A233-Q237 HydrophobicContact CB-CG 4.45Å; A233-Q237 WeakPolarHBondContact O-CG 2.86Å; A233-Q237 PolarHBondContact O-N 3.23Å; A233-Q237 VanDerWaalsContact O-N 3.08Å; A233-F303 HydrophobicContact CB-CE1 3.75Å; A233-F303 HydrophobicContact CB-CZ 3.48Å; A233-F303 VanDerWaalsContact CB-CZ 3.48Å
234E84.1Confident91.5Very high73 Ų7376.7 Ų76.734%0.34141%0.413SS..G310 helixtrans-49.1-53.4-172.1177.217516300112.8L230 Q236 W264 R296L230-E234 PolarHBondContact O-N 2.78Å; E234-Q236 PolarHBondContact O-N 3.35Å; E234-W264 HydrophobicContact CG-CG 4.09Å; E234-W264 PolarHBondContact OE1-NE1 3.45Å; E234-R296 PolarHBondContact O-NH1 2.92Å
235E81.9Confident91.6Very high175 Ų17571 Ų7182%0.81839%0.387SS*.G310 helixtrans-69.4-22.3-177.4-64.6-177.2176.100113.2A233A233-E235 PolarHBondContact O-N 3.09Å
236Q88.7Confident91.6Very high152 Ų15275.7 Ų75.771%0.7140%0.399SS*.G310 helixtrans-91.6-22.3-175.1-61.8-67.4-2300112.8A233 E234 P238A233-Q236 PolarHBondContact O-N 2.86Å; E234-Q236 PolarHBondContact O-N 3.35Å; Q236-P238 WeakPolarHBondContact O-CD 3.04Å
237Q92.4Very high91.6Very high38 Ų3882.8 Ų82.818%0.17843%0.425CS..PPolyproline II helixtrans-74.2121.4-177.4-66-41.5-68.500111.3A233 L252 R296 S297 L298A233-Q237 HydrophobicContact CB-CG 4.45Å; A233-Q237 WeakPolarHBondContact O-CG 2.86Å; A233-Q237 PolarHBondContact O-N 3.23Å; A233-Q237 VanDerWaalsContact O-N 3.08Å; Q237-L252 HydrophobicContact CB-CD1 4.18Å; Q237-L252 HydrophobicContact CG-CD1 3.78Å; Q237-R296 HydrophobicContact CB-CB 4.12Å; Q237-R296 WeakPolarHBondContact O-CD 3.36Å; Q237-S297 PolarHBondContact OE1-O 3.4Å; Q237-L298 HydrophobicContact CG-CD1 4.35Å
238P94.8Very high91.8Very high80 Ų8080.9 Ų80.952%0.51942%0.423SS..PPolyproline II helixtrans-73.8153177.631.5-34.8000111Q236 R296 S297Q236-P238 WeakPolarHBondContact O-CD 3.04Å; P238-R296 CarbonylContact O-C 3.52Å; P238-R296 VanDerWaalsContact O-CA 3.23Å; P238-R296 WeakPolarHBondContact O-CA 3.39Å; P238-R296 WeakPolarHBondContact O-CB 3.35Å; P238-S297 PolarHBondContact O-N 3.19Å
239Y95.9Very high92.1Very high125 Ų12578.9 Ų78.949%0.4941%0.408SS..BIsolated β-bridgetrans-61.3145.6166.6-70.2-80.8000110.5W264 Q293 L295 R296Y239-W264 HydrophobicContact CE1-CH2 4.22Å; Y239-Q293 VanDerWaalsContact CD1-O 3.29Å; Y239-Q293 WeakPolarHBondContact CD1-O 3.47Å; Y239-L295 WeakPolarHBondContact CA-O 3.47Å; Y239-R296 HydrophobicContact CD1-CG 3.72Å; Y239-R296 HydrophobicContact CE1-CG 3.92Å; Y239-R296 HydrophobicContact CG-CG 4.15Å; Y239-R296 PolarHBondContact OH-NH2 2.96Å
240L94.9Very high92.4Very high17 Ų1776.8 Ų76.89%0.08939%0.394CS..PPolyproline II helixtrans-74.2134.2176.9-75.4166.1000110.3A244 V245 T249 C251 L295L240-A244 HydrophobicContact CD2-CB 4.4Å; L240-V245 HydrophobicContact CB-CG2 3.66Å; L240-V245 HydrophobicContact CD1-CG2 3.94Å; L240-V245 HydrophobicContact CG-CG2 4.37Å; L240-T249 HydrophobicContact CD1-CG2 3.93Å; L240-C251 HydrophobicContact CD1-CB 3.59Å; L240-L295 HydrophobicContact CD1-CB 3.93Å; L240-L295 PolarHBondContact N-O 3.18Å
241E94Very high92.7Very high144 Ų14476.6 Ų76.667%0.67339%0.392SS*.PPolyproline II helixtrans-62.2143.4166.3-68.4-61.6148.300110S243 A244E241-S243 VanDerWaalsContact C-N 3.26Å; E241-S243 PolarHBondContact O-N 2.87Å; E241-A244 HydrophobicContact CB-CB 4.34Å; E241-A244 WeakPolarHBondContact O-CB 3.34Å; E241-A244 PolarHBondContact O-N 2.82Å
242D91.8Very high93.1Very high76 Ų7673.6 Ų73.641%0.40637%0.368SS..G310 helixtrans-55.8-41.8-175.2-178.784.3000111.9A244 V245 R272 V292D242-A244 VanDerWaalsContact C-N 3.25Å; D242-A244 PolarHBondContact O-N 2.82Å; D242-V245 PolarHBondContact O-N 3.35Å; D242-R272 PolarHBondContact O-NH1 3.48Å; D242-R272 IonicContact OD1-CZ 3.49Å; D242-R272 IonicContact OD1-NH2 2.7Å; D242-R272 PolarHBondContact OD1-NH2 2.96Å; D242-R272 IonicContact OD2-CZ 2.72Å; D242-R272 IonicContact OD2-NH1 2.96Å; D242-R272 IonicContact OD2-NH2 3.76Å; D242-R272 PolarHBondContact OD2-NH2 3.25Å; D242-V292 HydrophobicContact CB-CG1 4.47Å
243S92.7Very high93.4Very high108 Ų10866.2 Ų66.276%0.75533%0.334SS*.G310 helixtrans-68.8-19.2178.862.30000114.4E241E241-S243 VanDerWaalsContact C-N 3.26Å; E241-S243 PolarHBondContact O-N 2.87Å
244A94Very high93.6Very high43 Ų4370.9 Ų70.936%0.35535%0.353SS..G310 helixtrans-81.9-21.3179.600000112.6L240 E241 D242 K246 T249L240-A244 HydrophobicContact CD2-CB 4.4Å; E241-A244 HydrophobicContact CB-CB 4.34Å; E241-A244 WeakPolarHBondContact O-CB 3.34Å; E241-A244 PolarHBondContact O-N 2.82Å; D242-A244 VanDerWaalsContact C-N 3.25Å; D242-A244 PolarHBondContact O-N 2.82Å; A244-K246 PolarHBondContact O-N 2.88Å; A244-T249 PolarHBondContact O-OG1 3.24Å; A244-T249 VanDerWaalsContact O-OG1 3.13Å
245V96.4Very high93.8Very high2 Ų268.6 Ų68.61%0.01234%0.342CS..  trans-81.9109.1-179.6-175.70000110.5L240 D242 V269 R272 A277 V292 L295L240-V245 HydrophobicContact CB-CG2 3.66Å; L240-V245 HydrophobicContact CD1-CG2 3.94Å; L240-V245 HydrophobicContact CG-CG2 4.37Å; D242-V245 PolarHBondContact O-N 3.35Å; V245-V269 HydrophobicContact CG1-CG1 4.32Å; V245-V269 HydrophobicContact CG1-CG2 4.18Å; V245-R272 WeakPolarHBondContact O-CD 3.35Å; V245-R272 PolarHBondContact O-NH1 2.99Å; V245-A277 HydrophobicContact CG1-CB 4.23Å; V245-V292 HydrophobicContact CB-CG1 3.9Å; V245-V292 HydrophobicContact CB-CG2 4.47Å; V245-V292 HydrophobicContact CG1-CG1 4.37Å; V245-V292 HydrophobicContact CG1-CG2 4.18Å; V245-V292 HydrophobicContact CG2-CG1 3.67Å; V245-L295 HydrophobicContact CG1-CD1 3.95Å; V245-L295 HydrophobicContact CG2-CD1 4.36Å
246K95.3Very high94Very high142 Ų14265.5 Ų65.562%0.61733%0.327SS*.  trans-141.9169.5178.260.1-174.9176.4-172.60110A244 G248 T249 V269A244-K246 PolarHBondContact O-N 2.88Å; K246-G248 PolarHBondContact O-N 2.6Å; K246-T249 WeakPolarHBondContact CG-OG1 3.48Å; K246-T249 PolarHBondContact N-OG1 3.02Å; K246-T249 VanDerWaalsContact N-OG1 3.11Å; K246-T249 VanDerWaalsContact O-CB 3.24Å; K246-T249 WeakPolarHBondContact O-CB 3.31Å; K246-T249 PolarHBondContact O-N 3.17Å; K246-T249 PolarHBondContact O-OG1 3.36Å; K246-V269 WeakPolarHBondContact O-CB 3.47Å; K246-V269 VanDerWaalsContact O-CG1 3.29Å; K246-V269 WeakPolarHBondContact O-CG1 3.35Å
247R96.1Very high93.6Very high151 Ų15160.3 Ų60.357%0.5730%0.304SS*.THydrogen-bonded Turntrans-53134170.8173.9171.3172.6179.8-0.9110.4L174 T249 V269 L270L174-R247 VanDerWaalsContact CD2-NH2 3.32Å; R247-T249 VanDerWaalsContact C-N 3.33Å; R247-V269 WeakPolarHBondContact CA-O 3.35Å; R247-L270 WeakPolarHBondContact CD-O 3.33Å; R247-L270 VanDerWaalsContact CG-O 3.23Å; R247-L270 WeakPolarHBondContact CG-O 3.31Å
248G95.8Very high92.9Very high21 Ų2159.6 Ų59.622%0.21631%0.307CS..THydrogen-bonded Turntrans88.4-7.8-177.200000115E178 K246 R250 V269E178-G248 WeakPolarHBondContact OE2-CA 3.42Å; K246-G248 PolarHBondContact O-N 2.6Å; G248-R250 PolarHBondContact O-N 2.91Å; G248-V269 PolarHBondContact N-O 2.93Å
249T97.3Very high92.1Very high14 Ų1464.1 Ų64.19%0.08633%0.327CS..  trans-62130.9176.9-62.80000110.4L240 A244 K246 R247 V269L240-T249 HydrophobicContact CD1-CG2 3.93Å; A244-T249 PolarHBondContact O-OG1 3.24Å; A244-T249 VanDerWaalsContact O-OG1 3.13Å; K246-T249 WeakPolarHBondContact CG-OG1 3.48Å; K246-T249 PolarHBondContact N-OG1 3.02Å; K246-T249 VanDerWaalsContact N-OG1 3.11Å; K246-T249 VanDerWaalsContact O-CB 3.24Å; K246-T249 WeakPolarHBondContact O-CB 3.31Å; K246-T249 PolarHBondContact O-N 3.17Å; K246-T249 PolarHBondContact O-OG1 3.36Å; R247-T249 VanDerWaalsContact C-N 3.33Å; T249-V269 HydrophobicContact CG2-CG2 4.42Å; T249-V269 PolarHBondContact O-N 2.83Å
250R97.6Very high91.1Very high17 Ų1768 Ų686%0.06434%0.342CS..EExtended strand (participates in β ladder)trans-87.9127.4171.9-72.7177.4-165.7-173.8-1108.4E178 C179 G248 D301 W304E178-R250 PolarHBondContact O-NE 2.72Å; E178-R250 PolarHBondContact O-NH2 3.15Å; C179-R250 VanDerWaalsContact C-NH2 3.32Å; C179-R250 PolarHBondContact O-NE 3.26Å; C179-R250 PolarHBondContact O-NH1 3.11Å; C179-R250 PolarHBondContact O-NH2 3.44Å; G248-R250 PolarHBondContact O-N 2.91Å; R250-D301 IonicContact CZ-OD1 3.71Å; R250-D301 IonicContact NH1-OD1 3.51Å; R250-D301 PolarHBondContact NH1-OD1 3.38Å; R250-W304 HydrophobicContact CB-CH2 3.99Å; R250-W304 HydrophobicContact CB-CZ2 3.37Å; R250-W304 HydrophobicContact CG-CD2 4.3Å; R250-W304 HydrophobicContact CG-CH2 3.94Å; R250-W304 HydrophobicContact CG-CZ2 3.63Å; R250-W304 HydrophobicContact CG-CZ3 4.39Å
251C97.3Very high90.7Very high0 Ų068.5 Ų68.50%035%0.351CS..EExtended strand (participates in β ladder)trans-152.4173.1-174.259.20000112.9L240 C267 L295 R296L240-C251 HydrophobicContact CD1-CB 3.59Å; C251-C267 PolarHBondContact N-O 3.34Å; C251-C267 PolarHBondContact O-N 3.13Å; C251-C267 WeakPolarHBondContact SG-CB 3.23Å; C251-L295 HydrophobicContact CB-CB 4.43Å; C251-R296 CarbonylContact C-O 3.49Å; C251-R296 WeakPolarHBondContact CA-O 3.46Å; C251-R296 WeakPolarHBondContact CB-O 3.5Å
252L96.7Very high90.3Very high1 Ų167.4 Ų67.41%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-106.1146163.4-62.7171.5000110.5L230 Q237 W264 N265 L295 R296 L298L230-L252 HydrophobicContact CD2-CD2 3.66Å; Q237-L252 HydrophobicContact CB-CD1 4.18Å; Q237-L252 HydrophobicContact CG-CD1 3.78Å; L252-W264 HydrophobicContact CB-CE3 3.69Å; L252-W264 HydrophobicContact CB-CZ3 4.35Å; L252-W264 HydrophobicContact CD1-CB 4.45Å; L252-N265 WeakPolarHBondContact CA-O 3.46Å; L252-L295 WeakPolarHBondContact O-CA 3.45Å; L252-R296 HydrophobicContact CB-CB 4.24Å; L252-R296 PolarHBondContact N-O 3.29Å; L252-R296 PolarHBondContact O-N 3.34Å; L252-L298 HydrophobicContact CD1-CD1 3.96Å; L252-L298 HydrophobicContact CD2-CD1 4.07Å; L252-L298 HydrophobicContact CD2-CD2 3.64Å; L252-L298 HydrophobicContact CD2-CG 4.31Å; L252-L298 HydrophobicContact CG-CB 4.12Å; L252-L298 HydrophobicContact CG-CD1 3.9Å; L252-L298 HydrophobicContact CG-CD2 4.1Å; L252-L298 HydrophobicContact CG-CG 4.26Å
253A95.5Very high90.1Very high1 Ų165.4 Ų65.41%0.00834%0.339CS..EExtended strand (participates in β ladder)trans-140.4156163.600000110Y255 N265 C267 F281 I290 L295A253-Y255 PolarHBondContact O-N 3.42Å; A253-N265 PolarHBondContact N-O 3.28Å; A253-N265 VanDerWaalsContact N-O 3.15Å; A253-N265 PolarHBondContact O-N 2.96Å; A253-C267 VanDerWaalsContact CB-SG 3.55Å; A253-F281 HydrophobicContact CB-CE1 3.98Å; A253-F281 HydrophobicContact CB-CZ 4Å; A253-I290 HydrophobicContact CB-CD1 3.73Å; A253-L295 HydrophobicContact CB-CD2 3.75Å
254E92.1Very high90Very high108 Ų10860.9 Ų60.951%0.50531%0.306SS..EExtended strand (participates in β ladder)trans-70.5125.4172.4-70.5-175.5155.300110.7W264E254-W264 HydrophobicContact CG-CD2 3.89Å; E254-W264 HydrophobicContact CG-CE3 4.16Å; E254-W264 HydrophobicContact CG-CG 4.47Å; E254-W264 HydrophobicContact CG-CH2 4.01Å; E254-W264 HydrophobicContact CG-CZ2 3.68Å; E254-W264 HydrophobicContact CG-CZ3 4.25Å
255Y88.1Confident90.1Very high26 Ų2658.9 Ų58.910%0.10229%0.289CS..EExtended strand (participates in β ladder)trans-105.9138.5172.3-171.4-100.6000109.6A253 L257 H262 A263 N265 F281 F284 Q286A253-Y255 PolarHBondContact O-N 3.42Å; Y255-L257 HydrophobicContact CD1-CD2 3.66Å; Y255-L257 HydrophobicContact CD1-CG 4.06Å; Y255-L257 HydrophobicContact CE1-CD2 3.94Å; Y255-H262 WeakPolarHBondContact O-CA 3.12Å; Y255-A263 PolarHBondContact N-O 3.07Å; Y255-A263 PolarHBondContact O-N 3.01Å; Y255-N265 WeakPolarHBondContact CB-ND2 3.22Å; Y255-F281 HydrophobicContact CD2-CB 4.17Å; Y255-F281 AromaticContact CD2-CD1 3.59Å; Y255-F281 HydrophobicContact CD2-CD1 3.59Å; Y255-F281 AromaticContact CD2-CD2 3.69Å; Y255-F281 HydrophobicContact CD2-CD2 3.69Å; Y255-F281 AromaticContact CD2-CE1 3.77Å; Y255-F281 HydrophobicContact CD2-CE1 3.77Å; Y255-F281 AromaticContact CD2-CE2 3.84Å; Y255-F281 HydrophobicContact CD2-CE2 3.84Å; Y255-F281 AromaticContact CD2-CG 3.55Å; Y255-F281 HydrophobicContact CD2-CG 3.55Å; Y255-F281 AromaticContact CD2-CZ 3.88Å; Y255-F281 HydrophobicContact CD2-CZ 3.88Å; Y255-F281 HydrophobicContact CE2-CB 4.34Å; Y255-F281 HydrophobicContact CE2-CD2 4.08Å; Y255-F281 HydrophobicContact CE2-CE2 4.49Å; Y255-F281 HydrophobicContact CE2-CG 4.08Å; Y255-F281 HydrophobicContact CG-CD1 4.13Å; Y255-F281 HydrophobicContact CG-CE1 4.18Å; Y255-F281 HydrophobicContact CG-CG 4.48Å; Y255-F284 HydrophobicContact CD1-CD1 4.28Å; Y255-F284 HydrophobicContact CD1-CD2 4.25Å; Y255-F284 HydrophobicContact CD1-CE1 4.27Å; Y255-F284 HydrophobicContact CD1-CE2 4.28Å; Y255-F284 HydrophobicContact CD1-CG 4.27Å; Y255-F284 HydrophobicContact CD1-CZ 4.28Å; Y255-F284 HydrophobicContact CE1-CB 4.41Å; Y255-F284 AromaticContact CE1-CD1 3.64Å; Y255-F284 HydrophobicContact CE1-CD1 3.64Å; Y255-F284 HydrophobicContact CE1-CD2 4.26Å; Y255-F284 AromaticContact CE1-CE1 3.94Å; Y255-F284 HydrophobicContact CE1-CE1 3.94Å; Y255-F284 AromaticContact CE1-CG 3.81Å; Y255-F284 HydrophobicContact CE1-CG 3.81Å; Y255-F284 HydrophobicContact CE1-CZ 4.39Å; Y255-F284 HydrophobicContact CE2-CB 4.13Å; Y255-F284 HydrophobicContact CE2-CG 4.25Å; Y255-F284 HydrophobicContact CG-CD2 4.4Å; Y255-F284 AromaticContact CZ-CD1 3.94Å; Y255-F284 AromaticContact CZ-CG 3.79Å; Y255-Q286 HydrophobicContact CE2-CB 4.09Å; Y255-Q286 HydrophobicContact CE2-CG 4.19Å
256H85.5Confident90.1Very high109 Ų10958.8 Ų58.851%0.50529%0.288SS..EExtended strand (participates in β ladder)trans-88.2112.3176.5-176-115.1000110.3G258 G261 H262H256-G258 PolarHBondContact NE2-O 3.49Å; H256-G258 PolarHBondContact O-N 3.45Å; H256-G261 CarbonylContact C-O 3.58Å; H256-H262 AromaticContact CD2-CE1 3.49Å; H256-H262 PolarHBondContact CD2-CE1 3.43Å; H256-H262 VanDerWaalsContact CD2-CE1 3.49Å; H256-H262 AromaticContact CD2-NE2 3.54Å
257L82.3Confident90.2Very high43 Ų4352 Ų5223%0.22526%0.259CS..  trans-89.527.7-178.9-66.7168.6000112.5Y255 D259 Y260 G261 A263 F284Y255-L257 HydrophobicContact CD1-CD2 3.66Å; Y255-L257 HydrophobicContact CD1-CG 4.06Å; Y255-L257 HydrophobicContact CE1-CD2 3.94Å; L257-D259 PolarHBondContact O-N 3.45Å; L257-Y260 WeakPolarHBondContact O-CD2 3.36Å; L257-Y260 PolarHBondContact O-N 3.05Å; L257-G261 PolarHBondContact N-O 3.33Å; L257-A263 HydrophobicContact CD1-CB 3.62Å; L257-F284 HydrophobicContact CD2-CE1 3.68Å; L257-F284 HydrophobicContact CD2-CZ 3.72Å
258G77.6Confident90.3Very high24 Ų2445 Ų4525%0.24723%0.232CC..G310 helixtrans65.2-130.2-17600000111.4H256 Y260 G261H256-G258 PolarHBondContact NE2-O 3.49Å; H256-G258 PolarHBondContact O-N 3.45Å; G258-Y260 PolarHBondContact O-N 3.14Å; G258-Y260 VanDerWaalsContact O-N 3.07Å; G258-G261 PolarHBondContact O-N 2.83Å
259D77.2Confident90.4Very high174 Ų17444 Ų4493%0.9322%0.222SC*.G310 helixtrans-64.1-15.6-177-59.4-28.3000113.7L257 G261L257-D259 PolarHBondContact O-N 3.45Å; D259-G261 VanDerWaalsContact C-N 3.27Å; D259-G261 PolarHBondContact O-N 3.5Å
260Y75.3Confident90.4Very high208 Ų20844.4 Ų44.482%0.81622%0.224SC*.G310 helixtrans-81.7-2.9175.7-58-76.7000113.4L257 G258L257-Y260 WeakPolarHBondContact O-CD2 3.36Å; L257-Y260 PolarHBondContact O-N 3.05Å; G258-Y260 PolarHBondContact O-N 3.14Å; G258-Y260 VanDerWaalsContact O-N 3.07Å
261G85.4Confident90.3Very high26 Ų2648 Ų4827%0.26824%0.244SC..  trans86.1-137.2175.900000113.5H256 L257 G258 D259H256-G261 CarbonylContact C-O 3.58Å; L257-G261 PolarHBondContact N-O 3.33Å; G258-G261 PolarHBondContact O-N 2.83Å; D259-G261 VanDerWaalsContact C-N 3.27Å; D259-G261 PolarHBondContact O-N 3.5Å
262H85.9Confident90.1Very high122 Ų12251.4 Ų51.457%0.56526%0.257SS*.EExtended strand (participates in β ladder)trans-117.4144.2-175.3-65.7-91000111.1Y255 H256Y255-H262 WeakPolarHBondContact O-CA 3.12Å; H256-H262 AromaticContact CD2-CE1 3.49Å; H256-H262 PolarHBondContact CD2-CE1 3.43Å; H256-H262 VanDerWaalsContact CD2-CE1 3.49Å; H256-H262 AromaticContact CD2-NE2 3.54Å
263A87.9Confident89.8Confident33 Ų3355.8 Ų55.827%0.27328%0.284SS..EExtended strand (participates in β ladder)trans-144.5148.817200000111Y255 L257 N265Y255-A263 PolarHBondContact N-O 3.07Å; Y255-A263 PolarHBondContact O-N 3.01Å; L257-A263 HydrophobicContact CD1-CB 3.62Å; A263-N265 PolarHBondContact O-ND2 2.78Å
264W91.4Very high89.7Confident13 Ų1362 Ų625%0.04932%0.317CS..EExtended strand (participates in β ladder)trans-74.5131174.7-68.586.5000111.3E234 Y239 L252 E254 R296E234-W264 HydrophobicContact CG-CG 4.09Å; E234-W264 PolarHBondContact OE1-NE1 3.45Å; Y239-W264 HydrophobicContact CE1-CH2 4.22Å; L252-W264 HydrophobicContact CB-CE3 3.69Å; L252-W264 HydrophobicContact CB-CZ3 4.35Å; L252-W264 HydrophobicContact CD1-CB 4.45Å; E254-W264 HydrophobicContact CG-CD2 3.89Å; E254-W264 HydrophobicContact CG-CE3 4.16Å; E254-W264 HydrophobicContact CG-CG 4.47Å; E254-W264 HydrophobicContact CG-CH2 4.01Å; E254-W264 HydrophobicContact CG-CZ2 3.68Å; E254-W264 HydrophobicContact CG-CZ3 4.25Å; W264-R296 HydrophobicContact CH2-CG 3.89Å; W264-R296 VanDerWaalsContact CH2-NE 3.35Å; W264-R296 VanDerWaalsContact CZ2-CZ 3.5Å; W264-R296 HydrophobicContact CZ3-CB 4.33Å; W264-R296 HydrophobicContact CZ3-CG 3.83Å
265N94.6Very high89.7Confident1 Ų160.2 Ų60.21%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-136.6151.6-173.7-77.9-77.5000111.8F227 L252 A253 Y255 A263 C267 F281 F284F227-N265 WeakPolarHBondContact CE1-OD1 3.43Å; L252-N265 WeakPolarHBondContact CA-O 3.46Å; A253-N265 PolarHBondContact N-O 3.28Å; A253-N265 VanDerWaalsContact N-O 3.15Å; A253-N265 PolarHBondContact O-N 2.96Å; Y255-N265 WeakPolarHBondContact CB-ND2 3.22Å; A263-N265 PolarHBondContact O-ND2 2.78Å; N265-C267 PolarHBondContact O-N 3.05Å; N265-C267 PolarHBondContact O-SG 2.83Å; N265-C267 VanDerWaalsContact O-SG 3.41Å; N265-F281 HydrophobicContact CB-CD1 3.96Å; N265-F281 HydrophobicContact CB-CE1 4.31Å; N265-F284 HydrophobicContact CB-CE2 4.34Å; N265-F284 VanDerWaalsContact OD1-CE2 3.25Å; N265-F284 WeakPolarHBondContact OD1-CE2 3.47Å
266R97.6Very high90Very high0 Ų064.7 Ų64.70%033%0.33CS..EExtended strand (participates in β ladder)trans-62.8129178.9-60-170.7-65.3-178.12.4110.6L226 L230 I282 D283 L298 F303 W304 I306 P307L226-R266 HydrophobicContact CD1-CG 4.47Å; L230-R266 HydrophobicContact CD1-CG 4.25Å; R266-I282 PolarHBondContact O-N 2.83Å; R266-D283 IonicContact CZ-OD1 3.52Å; R266-D283 IonicContact CZ-OD2 3.8Å; R266-D283 IonicContact NE-OD1 2.85Å; R266-D283 IonicContact NE-OD2 3.64Å; R266-D283 PolarHBondContact NE-OD2 3.44Å; R266-D283 IonicContact NH2-OD1 3.36Å; R266-D283 PolarHBondContact NH2-OD1 3.3Å; R266-D283 IonicContact NH2-OD2 3.04Å; R266-D283 PolarHBondContact NH2-OD2 3.11Å; R266-L298 HydrophobicContact CG-CD2 3.8Å; R266-F303 WeakPolarHBondContact CD-O 3.21Å; R266-F303 PolarHBondContact NH1-O 2.82Å; R266-W304 HydrophobicContact CB-CH2 4.14Å; R266-W304 HydrophobicContact CB-CZ3 4.49Å; R266-I306 PolarHBondContact NH1-O 3.1Å; R266-I306 PolarHBondContact NH2-O 3.29Å; R266-P307 PolarHBondContact NH2-O 2.9Å; R266-P307 VanDerWaalsContact NH2-O 3.11Å
267C97.5Very high90.6Very high0 Ų059.5 Ų59.50%031%0.306CS..EExtended strand (participates in β ladder)trans-127145.4-179.3-70.40000110.6C251 A253 N265 V279 M280 F281C251-C267 PolarHBondContact N-O 3.34Å; C251-C267 PolarHBondContact O-N 3.13Å; C251-C267 WeakPolarHBondContact SG-CB 3.23Å; A253-C267 VanDerWaalsContact CB-SG 3.55Å; N265-C267 PolarHBondContact O-N 3.05Å; N265-C267 PolarHBondContact O-SG 2.83Å; N265-C267 VanDerWaalsContact O-SG 3.41Å; C267-V279 HydrophobicContact CB-CB 4.3Å; C267-M280 VanDerWaalsContact CA-O 3.31Å; C267-M280 WeakPolarHBondContact CA-O 3.32Å; C267-F281 WeakPolarHBondContact SG-CD1 3.47Å; C267-F281 WeakPolarHBondContact SG-CE1 3.27Å
268W98.2Very high91.3Very high3 Ų359.5 Ų59.51%0.01131%0.308CS..EExtended strand (participates in β ladder)trans-118.8126.1170.2172.250.1000109.1F171 L174 L175 E178 C179 L270 V279 M280 I282F171-W268 HydrophobicContact CD2-CZ3 4.47Å; F171-W268 AromaticContact CE1-CZ3 3.92Å; F171-W268 HydrophobicContact CE1-CZ3 3.92Å; F171-W268 HydrophobicContact CE2-CH2 4.35Å; F171-W268 AromaticContact CE2-CZ3 3.84Å; F171-W268 HydrophobicContact CE2-CZ3 3.84Å; F171-W268 HydrophobicContact CZ-CE3 4.26Å; F171-W268 HydrophobicContact CZ-CH2 4.46Å; F171-W268 AromaticContact CZ-CZ3 3.54Å; F171-W268 HydrophobicContact CZ-CZ3 3.54Å; L174-W268 HydrophobicContact CB-CH2 4.21Å; L174-W268 HydrophobicContact CD2-CH2 3.82Å; L174-W268 HydrophobicContact CD2-CZ2 3.94Å; L174-W268 HydrophobicContact CG-CH2 3.88Å; L174-W268 HydrophobicContact CG-CZ2 3.85Å; L175-W268 HydrophobicContact CB-CD2 4.5Å; L175-W268 HydrophobicContact CB-CE3 3.86Å; L175-W268 HydrophobicContact CB-CH2 4.04Å; L175-W268 HydrophobicContact CB-CZ3 3.59Å; L175-W268 HydrophobicContact CD1-CE3 3.77Å; L175-W268 HydrophobicContact CD1-CZ3 4.08Å; L175-W268 HydrophobicContact CG-CD2 4.45Å; L175-W268 HydrophobicContact CG-CE3 3.89Å; L175-W268 HydrophobicContact CG-CZ3 4.14Å; E178-W268 VanDerWaalsContact OE2-CE2 3.26Å; E178-W268 WeakPolarHBondContact OE2-CZ2 3.13Å; E178-W268 PolarHBondContact OE2-NE1 3.2Å; C179-W268 VanDerWaalsContact SG-CG 3.55Å; W268-L270 HydrophobicContact CD2-CD1 4.13Å; W268-L270 HydrophobicContact CE3-CD1 3.63Å; W268-L270 HydrophobicContact CE3-CG 4.27Å; W268-L270 HydrophobicContact CZ3-CD1 4.01Å; W268-L270 HydrophobicContact CZ3-CG 4.19Å; W268-L270 WeakPolarHBondContact O-CD1 3.25Å; W268-L270 PolarHBondContact O-N 2.99Å; W268-V279 CarbonylContact O-C 3.42Å; W268-V279 VanDerWaalsContact O-CA 3.27Å; W268-V279 WeakPolarHBondContact O-CA 3.27Å; W268-M280 HydrophobicContact CE3-CB 4.3Å; W268-M280 PolarHBondContact N-O 2.91Å; W268-M280 PolarHBondContact O-N 3.01Å; W268-I282 HydrophobicContact CB-CD1 3.75Å; W268-I282 HydrophobicContact CB-CG1 4.04Å
269V98.1Very high92.2Very high0 Ų058.3 Ų58.30%030%0.296CS..EExtended strand (participates in β ladder)trans-78.8111.3178.3-179.20000109.4V245 K246 R247 G248 T249 A277 V279 L295V245-V269 HydrophobicContact CG1-CG1 4.32Å; V245-V269 HydrophobicContact CG1-CG2 4.18Å; K246-V269 WeakPolarHBondContact O-CB 3.47Å; K246-V269 VanDerWaalsContact O-CG1 3.29Å; K246-V269 WeakPolarHBondContact O-CG1 3.35Å; R247-V269 WeakPolarHBondContact CA-O 3.35Å; G248-V269 PolarHBondContact N-O 2.93Å; T249-V269 HydrophobicContact CG2-CG2 4.42Å; T249-V269 PolarHBondContact O-N 2.83Å; V269-A277 HydrophobicContact CG1-CB 4.33Å; V269-V279 HydrophobicContact CG2-CG1 4.09Å; V269-L295 HydrophobicContact CG2-CD1 4.27Å
270L96.5Very high93.2Very high24 Ų2450 Ų5013%0.12625%0.252CS..EExtended strand (participates in β ladder)trans-76.2-44.3175.8-84.270.3000111.1F171 R247 W268 V278 M280 L287F171-L270 HydrophobicContact CE2-CD2 3.56Å; F171-L270 HydrophobicContact CE2-CG 4.12Å; F171-L270 HydrophobicContact CZ-CD1 4.29Å; F171-L270 HydrophobicContact CZ-CD2 3.82Å; F171-L270 HydrophobicContact CZ-CG 4.25Å; R247-L270 WeakPolarHBondContact CD-O 3.33Å; R247-L270 VanDerWaalsContact CG-O 3.23Å; R247-L270 WeakPolarHBondContact CG-O 3.31Å; W268-L270 HydrophobicContact CD2-CD1 4.13Å; W268-L270 HydrophobicContact CE3-CD1 3.63Å; W268-L270 HydrophobicContact CE3-CG 4.27Å; W268-L270 HydrophobicContact CZ3-CD1 4.01Å; W268-L270 HydrophobicContact CZ3-CG 4.19Å; W268-L270 WeakPolarHBondContact O-CD1 3.25Å; W268-L270 PolarHBondContact O-N 2.99Å; L270-V278 HydrophobicContact CB-CG1 4.3Å; L270-V278 HydrophobicContact CD2-CG1 4.5Å; L270-V278 PolarHBondContact N-O 3.15Å; L270-M280 HydrophobicContact CD1-CB 3.47Å; L270-M280 VanDerWaalsContact CD1-CB 3.47Å; L270-L287 HydrophobicContact CD1-CD2 4.01Å; L270-L287 HydrophobicContact CD2-CD2 3.54Å; L270-L287 HydrophobicContact CG-CD2 4.44Å
271D95.4Very high94.3Very high92 Ų9240.5 Ų40.549%0.49221%0.214SC..EExtended strand (participates in β ladder)trans-158.8164.4-177.7-156.45.1000110.8V278D271-V278 PolarHBondContact N-O 3.35Å; D271-V278 PolarHBondContact O-N 2.94Å
272R93.6Very high94.8Very high71 Ų7139.3 Ų39.327%0.26820%0.202SC..EExtended strand (participates in β ladder)trans-127.7131.8175.9177.8179.7166.8-177.10.3110D242 V245 D274 W276D242-R272 PolarHBondContact O-NH1 3.48Å; D242-R272 IonicContact OD1-CZ 3.49Å; D242-R272 IonicContact OD1-NH2 2.7Å; D242-R272 PolarHBondContact OD1-NH2 2.96Å; D242-R272 IonicContact OD2-CZ 2.72Å; D242-R272 IonicContact OD2-NH1 2.96Å; D242-R272 IonicContact OD2-NH2 3.76Å; D242-R272 PolarHBondContact OD2-NH2 3.25Å; V245-R272 WeakPolarHBondContact O-CD 3.35Å; V245-R272 PolarHBondContact O-NH1 2.99Å; R272-D274 PolarHBondContact NE-O 2.72Å; R272-D274 PolarHBondContact NH2-O 2.78Å; R272-D274 VanDerWaalsContact NH2-O 3.1Å; R272-W276 WeakPolarHBondContact CA-O 3.42Å
273V90.6Very high95.4Very high93 Ų9333.5 Ų33.556%0.56418%0.175SC*.EExtended strand (participates in β ladder)trans-12399.2172.4-174.40000107.9T275 W276V273-T275 PolarHBondContact O-N 2.78Å; V273-W276 CarbonylContact C-O 3.59Å; V273-W276 PolarHBondContact N-O 3.41Å; V273-W276 PolarHBondContact O-N 3.37Å
274D92.3Very high95.7Very high133 Ų13332.6 Ų32.671%0.71117%0.165SC*.THydrogen-bonded Turntrans61.3-113.3175.7-144.57.1000111.7R272R272-D274 PolarHBondContact NE-O 2.72Å; R272-D274 PolarHBondContact NH2-O 2.78Å; R272-D274 VanDerWaalsContact NH2-O 3.1Å
275T92.5Very high95.9Very high69 Ų6932.1 Ų32.142%0.42316%0.164SC..THydrogen-bonded Turntrans-90.76.7176.553.30000114V273 V292V273-T275 PolarHBondContact O-N 2.78Å; T275-V292 WeakPolarHBondContact O-CG2 3.37Å; T275-V292 PolarHBondContact O-N 2.85Å
276W95.2Very high95.8Very high120 Ų12035.1 Ų35.146%0.45518%0.178SC..EExtended strand (participates in β ladder)trans-118.7141.2-178.7-64.283.7000111.5R272 V273 T289 I290 P291R272-W276 WeakPolarHBondContact CA-O 3.42Å; V273-W276 CarbonylContact C-O 3.59Å; V273-W276 PolarHBondContact N-O 3.41Å; V273-W276 PolarHBondContact O-N 3.37Å; W276-T289 HydrophobicContact CB-CG2 3.95Å; W276-T289 HydrophobicContact CD2-CG2 4.36Å; W276-T289 HydrophobicContact CE3-CG2 3.9Å; W276-T289 HydrophobicContact CG-CG2 4.41Å; W276-I290 VanDerWaalsContact CE3-C 3.47Å; W276-P291 HydrophobicContact CE3-CG 4.05Å; W276-P291 HydrophobicContact CH2-CG 3.8Å; W276-P291 HydrophobicContact CZ2-CG 4.46Å; W276-P291 HydrophobicContact CZ3-CB 4.47Å; W276-P291 VanDerWaalsContact CZ3-CD 3.48Å; W276-P291 HydrophobicContact CZ3-CG 3.57Å
277A97Very high95.6Very high0 Ų037.5 Ų37.50%019%0.19CC..EExtended strand (participates in β ladder)trans-109.3136.8171.800000110V245 V269 V279 T289 I290 V292 L295V245-A277 HydrophobicContact CG1-CB 4.23Å; V269-A277 HydrophobicContact CG1-CB 4.33Å; A277-V279 HydrophobicContact CB-CG1 3.95Å; A277-T289 WeakPolarHBondContact O-CA 3.24Å; A277-I290 PolarHBondContact N-O 3.43Å; A277-I290 PolarHBondContact O-N 2.94Å; A277-V292 HydrophobicContact CB-CG2 4.31Å; A277-L295 HydrophobicContact CB-CD1 3.81Å
278V97.3Very high95.5Very high43 Ų4338.8 Ų38.826%0.26120%0.201SC..EExtended strand (participates in β ladder)trans-88.4114.9164.3-177.90000106.8L270 D271 A288L270-V278 HydrophobicContact CB-CG1 4.3Å; L270-V278 HydrophobicContact CD2-CG1 4.5Å; L270-V278 PolarHBondContact N-O 3.15Å; D271-V278 PolarHBondContact N-O 3.35Å; D271-V278 PolarHBondContact O-N 2.94Å; V278-A288 WeakPolarHBondContact CA-O 3.4Å
279V97.9Very high95.4Very high0 Ų042.9 Ų42.90%023%0.227CC..EExtended strand (participates in β ladder)trans-119.5151.4-176.8-55.70000111.4C267 W268 V269 A277 F281 L287 A288 I290 L295C267-V279 HydrophobicContact CB-CB 4.3Å; W268-V279 CarbonylContact O-C 3.42Å; W268-V279 VanDerWaalsContact O-CA 3.27Å; W268-V279 WeakPolarHBondContact O-CA 3.27Å; V269-V279 HydrophobicContact CG2-CG1 4.09Å; A277-V279 HydrophobicContact CB-CG1 3.95Å; V279-F281 HydrophobicContact CG2-CE2 4.28Å; V279-L287 WeakPolarHBondContact O-CA 3.21Å; V279-A288 HydrophobicContact CG2-CB 4.3Å; V279-A288 PolarHBondContact N-O 2.89Å; V279-A288 PolarHBondContact O-N 3.4Å; V279-I290 HydrophobicContact CG2-CD1 3.59Å; V279-I290 HydrophobicContact CG2-CG1 3.99Å; V279-L295 HydrophobicContact CG1-CD1 4.41Å; V279-L295 HydrophobicContact CG1-CD2 4.29Å
280M97.8Very high95.1Very high0 Ų044 Ų440%023%0.232CC..EExtended strand (participates in β ladder)trans-106.2121.9167.1179.767.8162.900109.1E166 F171 L175 W211 C267 W268 L270 I282 L287E166-M280 HydrophobicContact CB-CE 4.4Å; F171-M280 HydrophobicContact CE1-CE 4.33Å; L175-M280 HydrophobicContact CD1-CG 4.35Å; W211-M280 HydrophobicContact CH2-CE 3.77Å; W211-M280 HydrophobicContact CZ2-CE 3.39Å; C267-M280 VanDerWaalsContact CA-O 3.31Å; C267-M280 WeakPolarHBondContact CA-O 3.32Å; W268-M280 HydrophobicContact CE3-CB 4.3Å; W268-M280 PolarHBondContact N-O 2.91Å; W268-M280 PolarHBondContact O-N 3.01Å; L270-M280 HydrophobicContact CD1-CB 3.47Å; L270-M280 VanDerWaalsContact CD1-CB 3.47Å; M280-I282 PolarHBondContact O-N 2.85Å; M280-I282 VanDerWaalsContact O-N 3.17Å; M280-L287 HydrophobicContact CB-CD2 3.85Å; M280-L287 HydrophobicContact CG-CD2 4.39Å; M280-L287 HydrophobicContact SD-CD2 3.71Å; M280-L287 HydrophobicContact SD-CG 3.93Å
281F97.6Very high95.1Very high7 Ų744.2 Ų44.23%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-75.197.6164.9-71.5-83.8000108.4A253 Y255 N265 C267 V279 D283 F284 G285 Q286 A288 I290A253-F281 HydrophobicContact CB-CE1 3.98Å; A253-F281 HydrophobicContact CB-CZ 4Å; Y255-F281 HydrophobicContact CD2-CB 4.17Å; Y255-F281 AromaticContact CD2-CD1 3.59Å; Y255-F281 HydrophobicContact CD2-CD1 3.59Å; Y255-F281 AromaticContact CD2-CD2 3.69Å; Y255-F281 HydrophobicContact CD2-CD2 3.69Å; Y255-F281 AromaticContact CD2-CE1 3.77Å; Y255-F281 HydrophobicContact CD2-CE1 3.77Å; Y255-F281 AromaticContact CD2-CE2 3.84Å; Y255-F281 HydrophobicContact CD2-CE2 3.84Å; Y255-F281 AromaticContact CD2-CG 3.55Å; Y255-F281 HydrophobicContact CD2-CG 3.55Å; Y255-F281 AromaticContact CD2-CZ 3.88Å; Y255-F281 HydrophobicContact CD2-CZ 3.88Å; Y255-F281 HydrophobicContact CE2-CB 4.34Å; Y255-F281 HydrophobicContact CE2-CD2 4.08Å; Y255-F281 HydrophobicContact CE2-CE2 4.49Å; Y255-F281 HydrophobicContact CE2-CG 4.08Å; Y255-F281 HydrophobicContact CG-CD1 4.13Å; Y255-F281 HydrophobicContact CG-CE1 4.18Å; Y255-F281 HydrophobicContact CG-CG 4.48Å; N265-F281 HydrophobicContact CB-CD1 3.96Å; N265-F281 HydrophobicContact CB-CE1 4.31Å; C267-F281 WeakPolarHBondContact SG-CD1 3.47Å; C267-F281 WeakPolarHBondContact SG-CE1 3.27Å; V279-F281 HydrophobicContact CG2-CE2 4.28Å; F281-D283 PolarHBondContact O-N 3.49Å; F281-F284 HydrophobicContact CB-CB 4.29Å; F281-F284 HydrophobicContact CB-CD2 4.42Å; F281-F284 PolarHBondContact O-N 3.5Å; F281-F284 VanDerWaalsContact O-N 3.08Å; F281-G285 PolarHBondContact O-N 3.26Å; F281-Q286 HydrophobicContact CB-CB 4.44Å; F281-Q286 PolarHBondContact N-O 3.5Å; F281-Q286 PolarHBondContact O-N 3.49Å; F281-A288 HydrophobicContact CD2-CB 4.22Å; F281-A288 HydrophobicContact CE2-CB 3.68Å; F281-I290 HydrophobicContact CE2-CD1 3.78Å; F281-I290 HydrophobicContact CZ-CD1 3.56Å
282I97Very high95.1Very high2 Ų239.9 Ų39.91%0.0121%0.212CC..THydrogen-bonded Turntrans-63.9-33.8-164.6-58.1170.2000111.5L175 C179 F180 R266 W268 M280 F284 W304 P308 T310L175-I282 HydrophobicContact CD1-CG1 4.21Å; L175-I282 HydrophobicContact CD1-CG2 4.19Å; L175-I282 HydrophobicContact CD2-CG2 4.09Å; C179-I282 HydrophobicContact CB-CD1 4.45Å; F180-I282 HydrophobicContact CE2-CD1 4.36Å; F180-I282 HydrophobicContact CE2-CG2 4.06Å; F180-I282 HydrophobicContact CZ-CG2 4.02Å; R266-I282 PolarHBondContact O-N 2.83Å; W268-I282 HydrophobicContact CB-CD1 3.75Å; W268-I282 HydrophobicContact CB-CG1 4.04Å; M280-I282 PolarHBondContact O-N 2.85Å; M280-I282 VanDerWaalsContact O-N 3.17Å; I282-F284 VanDerWaalsContact C-N 3.34Å; I282-W304 HydrophobicContact CD1-CH2 3.81Å; I282-W304 HydrophobicContact CD1-CZ3 3.38Å; I282-P308 HydrophobicContact CG2-CB 3.78Å; I282-P308 HydrophobicContact CG2-CG 3.77Å; I282-T310 VanDerWaalsContact O-CG2 3.31Å; I282-T310 WeakPolarHBondContact O-CG2 3.44Å
283D96.9Very high95.1Very high0 Ų042.3 Ų42.30%023%0.227CC..THydrogen-bonded Turntrans-83.7-8.6-178-62.7-50.6000113.8M213 R266 F281 L309 T310M213-D283 VanDerWaalsContact CE-O 3.29Å; M213-D283 WeakPolarHBondContact CE-O 3.46Å; R266-D283 IonicContact CZ-OD1 3.52Å; R266-D283 IonicContact CZ-OD2 3.8Å; R266-D283 IonicContact NE-OD1 2.85Å; R266-D283 IonicContact NE-OD2 3.64Å; R266-D283 PolarHBondContact NE-OD2 3.44Å; R266-D283 IonicContact NH2-OD1 3.36Å; R266-D283 PolarHBondContact NH2-OD1 3.3Å; R266-D283 IonicContact NH2-OD2 3.04Å; R266-D283 PolarHBondContact NH2-OD2 3.11Å; F281-D283 PolarHBondContact O-N 3.49Å; D283-L309 HydrophobicContact CB-CB 4.15Å; D283-L309 HydrophobicContact CB-CD1 4.06Å; D283-L309 HydrophobicContact CB-CG 4.24Å; D283-L309 WeakPolarHBondContact OD1-CG 3.45Å; D283-L309 PolarHBondContact OD1-N 3.05Å; D283-L309 VanDerWaalsContact OD1-N 3.15Å; D283-T310 WeakPolarHBondContact O-CB 3.23Å; D283-T310 VanDerWaalsContact O-CG2 3.24Å; D283-T310 WeakPolarHBondContact O-CG2 3.44Å
284F95.3Very high95.3Very high13 Ų1340.2 Ų40.26%0.05722%0.216CC..THydrogen-bonded Turntrans-120.7-12.4-180-63.7-89.1000113.9T201 M213 F227 Y255 L257 N265 F281 I282 Q286T201-F284 VanDerWaalsContact CB-O 3.23Å; T201-F284 WeakPolarHBondContact CB-O 3.42Å; T201-F284 HydrophobicContact CG2-CD1 4.36Å; T201-F284 PolarHBondContact OG1-O 2.97Å; M213-F284 HydrophobicContact CE-CE1 4.3Å; F227-F284 HydrophobicContact CZ-CZ 4.37Å; Y255-F284 HydrophobicContact CD1-CD1 4.28Å; Y255-F284 HydrophobicContact CD1-CD2 4.25Å; Y255-F284 HydrophobicContact CD1-CE1 4.27Å; Y255-F284 HydrophobicContact CD1-CE2 4.28Å; Y255-F284 HydrophobicContact CD1-CG 4.27Å; Y255-F284 HydrophobicContact CD1-CZ 4.28Å; Y255-F284 HydrophobicContact CE1-CB 4.41Å; Y255-F284 AromaticContact CE1-CD1 3.64Å; Y255-F284 HydrophobicContact CE1-CD1 3.64Å; Y255-F284 HydrophobicContact CE1-CD2 4.26Å; Y255-F284 AromaticContact CE1-CE1 3.94Å; Y255-F284 HydrophobicContact CE1-CE1 3.94Å; Y255-F284 AromaticContact CE1-CG 3.81Å; Y255-F284 HydrophobicContact CE1-CG 3.81Å; Y255-F284 HydrophobicContact CE1-CZ 4.39Å; Y255-F284 HydrophobicContact CE2-CB 4.13Å; Y255-F284 HydrophobicContact CE2-CG 4.25Å; Y255-F284 HydrophobicContact CG-CD2 4.4Å; Y255-F284 AromaticContact CZ-CD1 3.94Å; Y255-F284 AromaticContact CZ-CG 3.79Å; L257-F284 HydrophobicContact CD2-CE1 3.68Å; L257-F284 HydrophobicContact CD2-CZ 3.72Å; N265-F284 HydrophobicContact CB-CE2 4.34Å; N265-F284 VanDerWaalsContact OD1-CE2 3.25Å; N265-F284 WeakPolarHBondContact OD1-CE2 3.47Å; F281-F284 HydrophobicContact CB-CB 4.29Å; F281-F284 HydrophobicContact CB-CD2 4.42Å; F281-F284 PolarHBondContact O-N 3.5Å; F281-F284 VanDerWaalsContact O-N 3.08Å; I282-F284 VanDerWaalsContact C-N 3.34Å; F284-Q286 VanDerWaalsContact C-N 3.25Å; F284-Q286 HydrophobicContact CB-CB 4.44Å; F284-Q286 PolarHBondContact O-N 2.95Å
285G94.8Very high95.5Very high3 Ų333.9 Ų33.93%0.03118%0.182CC..THydrogen-bonded Turntrans76.918177.800000112.6W211 F281W211-G285 VanDerWaalsContact CD2-CA 3.44Å; W211-G285 VanDerWaalsContact CG-CA 3.5Å; W211-G285 PolarHBondContact NE1-O 3.37Å; F281-G285 PolarHBondContact O-N 3.26Å
286Q93.1Very high95.7Very high65 Ų6532.3 Ų32.330%0.30417%0.169SC..EExtended strand (participates in β ladder)trans-110.4127.2-168.6-177.860.444.500111.2S202 Y255 F281 F284S202-Q286 PolarHBondContact OG-OE1 2.89Å; Y255-Q286 HydrophobicContact CE2-CB 4.09Å; Y255-Q286 HydrophobicContact CE2-CG 4.19Å; F281-Q286 HydrophobicContact CB-CB 4.44Å; F281-Q286 PolarHBondContact N-O 3.5Å; F281-Q286 PolarHBondContact O-N 3.49Å; F284-Q286 VanDerWaalsContact C-N 3.25Å; F284-Q286 HydrophobicContact CB-CB 4.44Å; F284-Q286 PolarHBondContact O-N 2.95Å
287L94.1Very high95.7Very high49 Ų4927.3 Ų27.326%0.25715%0.152SC..EExtended strand (participates in β ladder)trans-84.5141.7168.4-68.9171.8000111E166 L270 V279 M280E166-L287 HydrophobicContact CB-CD1 4.36Å; L270-L287 HydrophobicContact CD1-CD2 4.01Å; L270-L287 HydrophobicContact CD2-CD2 3.54Å; L270-L287 HydrophobicContact CG-CD2 4.44Å; V279-L287 WeakPolarHBondContact O-CA 3.21Å; M280-L287 HydrophobicContact CB-CD2 3.85Å; M280-L287 HydrophobicContact CG-CD2 4.39Å; M280-L287 HydrophobicContact SD-CD2 3.71Å; M280-L287 HydrophobicContact SD-CG 3.93Å
288A94Very high95.6Very high27 Ų2727.3 Ų27.322%0.22315%0.152CC..EExtended strand (participates in β ladder)trans-144.2157.217400000111.2V278 V279 F281 I290V278-A288 WeakPolarHBondContact CA-O 3.4Å; V279-A288 HydrophobicContact CG2-CB 4.3Å; V279-A288 PolarHBondContact N-O 2.89Å; V279-A288 PolarHBondContact O-N 3.4Å; F281-A288 HydrophobicContact CD2-CB 4.22Å; F281-A288 HydrophobicContact CE2-CB 3.68Å; A288-I290 HydrophobicContact CB-CD1 4.11Å; A288-I290 HydrophobicContact CB-CG1 3.95Å
289T96Very high95.2Very high90 Ų9029.9 Ų29.955%0.55216%0.164SC*.EExtended strand (participates in β ladder)trans-109.6114.2170.2-52.90000107.8W276 A277W276-T289 HydrophobicContact CB-CG2 3.95Å; W276-T289 HydrophobicContact CD2-CG2 4.36Å; W276-T289 HydrophobicContact CE3-CG2 3.9Å; W276-T289 HydrophobicContact CG-CG2 4.41Å; A277-T289 WeakPolarHBondContact O-CA 3.24Å
290I93.2Very high94.9Very high23 Ų2332.5 Ų32.512%0.11818%0.183CC..EExtended strand (participates in β ladder)trans-125.2144-169.6-57.2-174.3000108.8A253 W276 A277 V279 F281 A288 L295A253-I290 HydrophobicContact CB-CD1 3.73Å; W276-I290 VanDerWaalsContact CE3-C 3.47Å; A277-I290 PolarHBondContact N-O 3.43Å; A277-I290 PolarHBondContact O-N 2.94Å; V279-I290 HydrophobicContact CG2-CD1 3.59Å; V279-I290 HydrophobicContact CG2-CG1 3.99Å; F281-I290 HydrophobicContact CE2-CD1 3.78Å; F281-I290 HydrophobicContact CZ-CD1 3.56Å; A288-I290 HydrophobicContact CB-CD1 4.11Å; A288-I290 HydrophobicContact CB-CG1 3.95Å; I290-L295 HydrophobicContact CG2-CD2 4.16Å
291P96.1Very high94.7Very high29 Ų2936.1 Ų36.119%0.18820%0.202CC..EExtended strand (participates in β ladder)trans-60.8138.3173.8-18.231000111.1W276 Q293 S294W276-P291 HydrophobicContact CE3-CG 4.05Å; W276-P291 HydrophobicContact CH2-CG 3.8Å; W276-P291 HydrophobicContact CZ2-CG 4.46Å; W276-P291 HydrophobicContact CZ3-CB 4.47Å; W276-P291 VanDerWaalsContact CZ3-CD 3.48Å; W276-P291 HydrophobicContact CZ3-CG 3.57Å; P291-Q293 HydrophobicContact CB-CG 4.15Å; P291-Q293 PolarHBondContact O-N 3.5Å; P291-S294 WeakPolarHBondContact O-CB 3.29Å; P291-S294 PolarHBondContact O-N 2.7Å
292V94.9Very high94.4Very high1 Ų141.5 Ų41.51%0.00623%0.231CC..G310 helixtrans-54.8-41.6-179.4165.10000111.6D242 V245 T275 A277 S294 L295D242-V292 HydrophobicContact CB-CG1 4.47Å; V245-V292 HydrophobicContact CB-CG1 3.9Å; V245-V292 HydrophobicContact CB-CG2 4.47Å; V245-V292 HydrophobicContact CG1-CG1 4.37Å; V245-V292 HydrophobicContact CG1-CG2 4.18Å; V245-V292 HydrophobicContact CG2-CG1 3.67Å; T275-V292 WeakPolarHBondContact O-CG2 3.37Å; T275-V292 PolarHBondContact O-N 2.85Å; A277-V292 HydrophobicContact CB-CG2 4.31Å; V292-S294 PolarHBondContact O-N 2.96Å; V292-S294 VanDerWaalsContact O-N 3.13Å; V292-L295 WeakPolarHBondContact O-CB 3.34Å; V292-L295 PolarHBondContact O-N 2.67Å; V292-L295 VanDerWaalsContact O-N 3.07Å
293Q93.7Very high94.2Very high122 Ų12242.4 Ų42.457%0.5724%0.235SC*.G310 helixtrans-65.8-11178.467.2-87.835.200114.8Y239 P291Y239-Q293 VanDerWaalsContact CD1-O 3.29Å; Y239-Q293 WeakPolarHBondContact CD1-O 3.47Å; P291-Q293 HydrophobicContact CB-CG 4.15Å; P291-Q293 PolarHBondContact O-N 3.5Å
294S95.4Very high94.1Very high49 Ų4942.8 Ų42.834%0.34324%0.236SC..G310 helixtrans-93.2-0.5175.9-58.60000112.5P291 V292P291-S294 WeakPolarHBondContact O-CB 3.29Å; P291-S294 PolarHBondContact O-N 2.7Å; V292-S294 PolarHBondContact O-N 2.96Å; V292-S294 VanDerWaalsContact O-N 3.13Å
295L96.4Very high94.1Very high0 Ų047 Ų470%026%0.263CS..  trans-94140.1179.5-55.6179000111.1Y239 L240 V245 C251 L252 A253 V269 A277 V279 I290 V292Y239-L295 WeakPolarHBondContact CA-O 3.47Å; L240-L295 HydrophobicContact CD1-CB 3.93Å; L240-L295 PolarHBondContact N-O 3.18Å; V245-L295 HydrophobicContact CG1-CD1 3.95Å; V245-L295 HydrophobicContact CG2-CD1 4.36Å; C251-L295 HydrophobicContact CB-CB 4.43Å; L252-L295 WeakPolarHBondContact O-CA 3.45Å; A253-L295 HydrophobicContact CB-CD2 3.75Å; V269-L295 HydrophobicContact CG2-CD1 4.27Å; A277-L295 HydrophobicContact CB-CD1 3.81Å; V279-L295 HydrophobicContact CG1-CD1 4.41Å; V279-L295 HydrophobicContact CG1-CD2 4.29Å; I290-L295 HydrophobicContact CG2-CD2 4.16Å; V292-L295 WeakPolarHBondContact O-CB 3.34Å; V292-L295 PolarHBondContact O-N 2.67Å; V292-L295 VanDerWaalsContact O-N 3.07Å
296R95.8Very high94.1Very high36 Ų3648 Ų4814%0.13627%0.268CS..EExtended strand (participates in β ladder)trans-111.7152.9172-65.5178.3179.1-170.411111.3E234 Q237 P238 Y239 C251 L252 W264E234-R296 PolarHBondContact O-NH1 2.92Å; Q237-R296 HydrophobicContact CB-CB 4.12Å; Q237-R296 WeakPolarHBondContact O-CD 3.36Å; P238-R296 CarbonylContact O-C 3.52Å; P238-R296 VanDerWaalsContact O-CA 3.23Å; P238-R296 WeakPolarHBondContact O-CA 3.39Å; P238-R296 WeakPolarHBondContact O-CB 3.35Å; Y239-R296 HydrophobicContact CD1-CG 3.72Å; Y239-R296 HydrophobicContact CE1-CG 3.92Å; Y239-R296 HydrophobicContact CG-CG 4.15Å; Y239-R296 PolarHBondContact OH-NH2 2.96Å; C251-R296 CarbonylContact C-O 3.49Å; C251-R296 WeakPolarHBondContact CA-O 3.46Å; C251-R296 WeakPolarHBondContact CB-O 3.5Å; L252-R296 HydrophobicContact CB-CB 4.24Å; L252-R296 PolarHBondContact N-O 3.29Å; L252-R296 PolarHBondContact O-N 3.34Å; W264-R296 HydrophobicContact CH2-CG 3.89Å; W264-R296 VanDerWaalsContact CH2-NE 3.35Å; W264-R296 VanDerWaalsContact CZ2-CZ 3.5Å; W264-R296 HydrophobicContact CZ3-CB 4.33Å; W264-R296 HydrophobicContact CZ3-CG 3.83Å
297S95.4Very high94.3Very high15 Ų1546.7 Ų46.711%0.10527%0.265CS..EExtended strand (participates in β ladder)trans-64.9146.4177.5172.70000110.2Q237 P238 D299Q237-S297 PolarHBondContact OE1-O 3.4Å; P238-S297 PolarHBondContact O-N 3.19Å; S297-D299 VanDerWaalsContact OG-CG 3.29Å; S297-D299 PolarHBondContact OG-N 2.91Å; S297-D299 PolarHBondContact OG-OD2 3.46Å
298L95.4Very high94.4Very high0 Ų044.7 Ų44.70%026%0.255CS..  trans-144.654166.7-161.370.3000109.4L230 Q237 L252 R266 F303 W304L230-L298 HydrophobicContact CD2-CD1 4.29Å; L230-L298 HydrophobicContact CD2-CD2 4.25Å; Q237-L298 HydrophobicContact CG-CD1 4.35Å; L252-L298 HydrophobicContact CD1-CD1 3.96Å; L252-L298 HydrophobicContact CD2-CD1 4.07Å; L252-L298 HydrophobicContact CD2-CD2 3.64Å; L252-L298 HydrophobicContact CD2-CG 4.31Å; L252-L298 HydrophobicContact CG-CB 4.12Å; L252-L298 HydrophobicContact CG-CD1 3.9Å; L252-L298 HydrophobicContact CG-CD2 4.1Å; L252-L298 HydrophobicContact CG-CG 4.26Å; R266-L298 HydrophobicContact CG-CD2 3.8Å; L298-F303 HydrophobicContact CD1-CB 4.18Å; L298-F303 HydrophobicContact CD1-CD1 3.87Å; L298-F303 HydrophobicContact CD1-CD2 3.49Å; L298-F303 VanDerWaalsContact CD1-CD2 3.49Å; L298-F303 HydrophobicContact CD1-CE1 4.05Å; L298-F303 HydrophobicContact CD1-CE2 3.73Å; L298-F303 HydrophobicContact CD1-CG 3.58Å; L298-F303 HydrophobicContact CD1-CZ 4.01Å; L298-F303 HydrophobicContact CD2-CB 3.82Å; L298-F303 HydrophobicContact CD2-CG 4.13Å; L298-F303 HydrophobicContact CG-CB 3.91Å; L298-F303 HydrophobicContact CG-CD2 3.9Å; L298-F303 HydrophobicContact CG-CG 3.87Å; L298-W304 HydrophobicContact CB-CZ2 4.3Å; L298-W304 HydrophobicContact CD2-CZ2 3.76Å; L298-W304 HydrophobicContact CG-CZ2 4.34Å; L298-W304 PolarHBondContact O-NE1 2.72Å
299D88.9Confident94.5Very high97 Ų9743.9 Ų43.952%0.51925%0.246SC..  trans-80.9-18.3-170.9-65.6-44.4000113.7S297 D301S297-D299 VanDerWaalsContact OG-CG 3.29Å; S297-D299 PolarHBondContact OG-N 2.91Å; S297-D299 PolarHBondContact OG-OD2 3.46Å; D299-D301 PolarHBondContact O-N 3.32Å
300S92Very high94.6Very high55 Ų5539.6 Ų39.639%0.38522%0.22SC..  trans-63.9125.2178.9177.80000111.2D302 F303S300-D302 PolarHBondContact O-N 3.43Å; S300-D302 VanDerWaalsContact O-N 3.12Å; S300-F303 PolarHBondContact O-N 2.74Å
301D92Very high94.7Very high76 Ų7639.4 Ų39.441%0.40622%0.219SC..G310 helixtrans-60.5-22.1-178.3-81.2-30.6000112.6R181 R250 D299 F303 W304 T305R181-D301 IonicContact CZ-OD1 3.87Å; R181-D301 IonicContact CZ-OD2 2.72Å; R181-D301 IonicContact NH1-OD1 3.46Å; R181-D301 PolarHBondContact NH1-OD1 3.12Å; R181-D301 IonicContact NH1-OD2 2.91Å; R181-D301 PolarHBondContact NH1-OD2 2.93Å; R181-D301 IonicContact NH2-OD1 3.79Å; R250-D301 IonicContact CZ-OD1 3.71Å; R250-D301 IonicContact NH1-OD1 3.51Å; R250-D301 PolarHBondContact NH1-OD1 3.38Å; D299-D301 PolarHBondContact O-N 3.32Å; D301-F303 VanDerWaalsContact C-N 3.27Å; D301-F303 PolarHBondContact O-N 3.33Å; D301-W304 CarbonylContact O-C 3.49Å; D301-W304 WeakPolarHBondContact O-CA 3.36Å; D301-W304 PolarHBondContact O-N 3.25Å; D301-T305 PolarHBondContact O-N 3.13Å
302D91.8Very high94.7Very high120 Ų12039.4 Ų39.464%0.64222%0.219SC*.G310 helixtrans-56.9-38.6179.4-66.6-23.4000112.6S300 W304 T305S300-D302 PolarHBondContact O-N 3.43Å; S300-D302 VanDerWaalsContact O-N 3.12Å; D302-W304 PolarHBondContact O-N 3.07Å; D302-T305 PolarHBondContact O-N 2.83Å; D302-T305 PolarHBondContact O-OG1 3.26Å
303F92.5Very high94.7Very high20 Ų2040.6 Ų40.69%0.08822%0.224CC..G310 helixtrans-71.8-12.2178.1-62.6-81.2000113.7T229 L230 A233 R266 L298 S300 D301T229-F303 HydrophobicContact CG2-CD1 4.06Å; T229-F303 HydrophobicContact CG2-CE1 3.58Å; T229-F303 HydrophobicContact CG2-CZ 4.27Å; L230-F303 HydrophobicContact CD2-CD1 3.71Å; L230-F303 HydrophobicContact CD2-CE1 3.98Å; A233-F303 HydrophobicContact CB-CE1 3.75Å; A233-F303 HydrophobicContact CB-CZ 3.48Å; A233-F303 VanDerWaalsContact CB-CZ 3.48Å; R266-F303 WeakPolarHBondContact CD-O 3.21Å; R266-F303 PolarHBondContact NH1-O 2.82Å; L298-F303 HydrophobicContact CD1-CB 4.18Å; L298-F303 HydrophobicContact CD1-CD1 3.87Å; L298-F303 HydrophobicContact CD1-CD2 3.49Å; L298-F303 VanDerWaalsContact CD1-CD2 3.49Å; L298-F303 HydrophobicContact CD1-CE1 4.05Å; L298-F303 HydrophobicContact CD1-CE2 3.73Å; L298-F303 HydrophobicContact CD1-CG 3.58Å; L298-F303 HydrophobicContact CD1-CZ 4.01Å; L298-F303 HydrophobicContact CD2-CB 3.82Å; L298-F303 HydrophobicContact CD2-CG 4.13Å; L298-F303 HydrophobicContact CG-CB 3.91Å; L298-F303 HydrophobicContact CG-CD2 3.9Å; L298-F303 HydrophobicContact CG-CG 3.87Å; S300-F303 PolarHBondContact O-N 2.74Å; D301-F303 VanDerWaalsContact C-N 3.27Å; D301-F303 PolarHBondContact O-N 3.33Å
304W95.4Very high94.7Very high8 Ų838.4 Ų38.43%0.0322%0.215CC..G310 helixtrans-111.58.1-174.7-56.794.6000112.5C179 F180 R250 R266 I282 L298 D301 D302C179-W304 HydrophobicContact CB-CE3 3.62Å; C179-W304 HydrophobicContact CB-CZ3 3.53Å; C179-W304 WeakPolarHBondContact O-CB 3.41Å; F180-W304 WeakPolarHBondContact CD1-O 3.13Å; F180-W304 HydrophobicContact CE1-CE3 4.12Å; F180-W304 HydrophobicContact CE2-CE3 4.14Å; F180-W304 HydrophobicContact CE2-CZ3 4.31Å; F180-W304 AromaticContact CZ-CE3 3.85Å; F180-W304 HydrophobicContact CZ-CE3 3.85Å; F180-W304 HydrophobicContact CZ-CZ3 4.17Å; R250-W304 HydrophobicContact CB-CH2 3.99Å; R250-W304 HydrophobicContact CB-CZ2 3.37Å; R250-W304 HydrophobicContact CG-CD2 4.3Å; R250-W304 HydrophobicContact CG-CH2 3.94Å; R250-W304 HydrophobicContact CG-CZ2 3.63Å; R250-W304 HydrophobicContact CG-CZ3 4.39Å; R266-W304 HydrophobicContact CB-CH2 4.14Å; R266-W304 HydrophobicContact CB-CZ3 4.49Å; I282-W304 HydrophobicContact CD1-CH2 3.81Å; I282-W304 HydrophobicContact CD1-CZ3 3.38Å; L298-W304 HydrophobicContact CB-CZ2 4.3Å; L298-W304 HydrophobicContact CD2-CZ2 3.76Å; L298-W304 HydrophobicContact CG-CZ2 4.34Å; L298-W304 PolarHBondContact O-NE1 2.72Å; D301-W304 CarbonylContact O-C 3.49Å; D301-W304 WeakPolarHBondContact O-CA 3.36Å; D301-W304 PolarHBondContact O-N 3.25Å; D302-W304 PolarHBondContact O-N 3.07Å
305T94.7Very high94.5Very high101 Ų10138.1 Ų38.162%0.6221%0.209SC*.SBendtrans-76.8-36.5172.458.70000112.1D301 D302D301-T305 PolarHBondContact O-N 3.13Å; D302-T305 PolarHBondContact O-N 2.83Å; D302-T305 PolarHBondContact O-OG1 3.26Å
306I95.9Very high94Very high26 Ų2644.5 Ų44.513%0.13324%0.239CC..SBendtrans-76.8120.4176.3-61.6172.7000107.9F180 N222 A225 L226 R266 L309F180-I306 VanDerWaalsContact CE1-O 3.27Å; F180-I306 WeakPolarHBondContact CE1-O 3.43Å; N222-I306 HydrophobicContact CB-CG2 3.77Å; A225-I306 HydrophobicContact CB-CD1 3.76Å; L226-I306 HydrophobicContact CB-CD1 3.71Å; L226-I306 HydrophobicContact CB-CG2 4.42Å; L226-I306 HydrophobicContact CD1-CD1 4.45Å; R266-I306 PolarHBondContact NH1-O 3.1Å; R266-I306 PolarHBondContact NH2-O 3.29Å; I306-L309 HydrophobicContact CG2-CD2 4.43Å
307P95.7Very high93.2Very high37 Ų3750.7 Ų50.724%0.2427%0.267CS..PPolyproline II helixtrans-63.8171.8-177.225.9-34.6000112.9W185 R266 L309W185-P307 HydrophobicContact CB-CB 4.36Å; W185-P307 HydrophobicContact CG-CB 4Å; R266-P307 PolarHBondContact NH2-O 2.9Å; R266-P307 VanDerWaalsContact NH2-O 3.11Å; P307-L309 PolarHBondContact O-N 2.99Å
308P97.2Very high92.5Very high7 Ų756.5 Ų56.55%0.04530%0.297CS..PPolyproline II helixtrans-53.3134.6172.2-2534.3000112.1L175 L176 F180 W185 I282L175-P308 HydrophobicContact CD2-CG 4.12Å; L176-P308 HydrophobicContact CD2-CG 4.06Å; F180-P308 HydrophobicContact CD2-CG 4.49Å; F180-P308 HydrophobicContact CE1-CG 4.39Å; F180-P308 HydrophobicContact CE2-CG 3.81Å; F180-P308 HydrophobicContact CZ-CG 3.77Å; W185-P308 HydrophobicContact CD2-CG 4.35Å; W185-P308 HydrophobicContact CH2-CB 4.18Å; W185-P308 HydrophobicContact CH2-CG 4.47Å; W185-P308 HydrophobicContact CZ2-CB 3.76Å; W185-P308 HydrophobicContact CZ2-CG 4.27Å; W185-P308 PolarHBondContact NE1-O 2.81Å; W185-P308 VanDerWaalsContact NE1-O 3.16Å; I282-P308 HydrophobicContact CG2-CB 3.78Å; I282-P308 HydrophobicContact CG2-CG 3.77Å
309L97Very high91.9Very high9 Ų960 Ų605%0.04732%0.315CS..SBendtrans-76.9-23.1-179.1-63.5179.5000113.7M213 L219 N222 M223 L226 F227 D283 I306 P307M213-L309 HydrophobicContact CE-CB 4.12Å; M213-L309 HydrophobicContact CE-CD1 4.42Å; M213-L309 WeakPolarHBondContact CG-O 3.32Å; M213-L309 HydrophobicContact SD-CB 4.46Å; L219-L309 HydrophobicContact CD1-CB 4.18Å; L219-L309 HydrophobicContact CD1-CD2 4Å; N222-L309 HydrophobicContact CB-CD2 3.88Å; M223-L309 HydrophobicContact CG-CD1 3.78Å; M223-L309 HydrophobicContact CG-CD2 4.09Å; L226-L309 HydrophobicContact CD2-CD1 3.91Å; L226-L309 HydrophobicContact CD2-CG 4.25Å; F227-L309 HydrophobicContact CE2-CD1 3.77Å; F227-L309 HydrophobicContact CZ-CD1 3.67Å; D283-L309 HydrophobicContact CB-CB 4.15Å; D283-L309 HydrophobicContact CB-CD1 4.06Å; D283-L309 HydrophobicContact CB-CG 4.24Å; D283-L309 WeakPolarHBondContact OD1-CG 3.45Å; D283-L309 PolarHBondContact OD1-N 3.05Å; D283-L309 VanDerWaalsContact OD1-N 3.15Å; I306-L309 HydrophobicContact CG2-CD2 4.43Å; P307-L309 PolarHBondContact O-N 2.99Å
310T96.9Very high91.5Very high0 Ų056.5 Ų56.50%030%0.296CS..  trans-119.5151.7-177-171.10000111.1W185 T201 W211 A212 I282 D283W185-T310 WeakPolarHBondContact CH2-O 3.35Å; W185-T310 VanDerWaalsContact CZ2-O 3.27Å; W185-T310 WeakPolarHBondContact CZ2-O 3.16Å; T201-T310 PolarHBondContact OG1-OG1 2.88Å; W211-T310 HydrophobicContact CE3-CG2 3.7Å; W211-T310 HydrophobicContact CZ3-CG2 4.15Å; A212-T310 WeakPolarHBondContact CA-OG1 3.15Å; A212-T310 PolarHBondContact N-OG1 3.1Å; A212-T310 VanDerWaalsContact N-OG1 3.08Å; A212-T310 WeakPolarHBondContact O-CA 3.35Å; A212-T310 PolarHBondContact O-OG1 3.36Å; A212-T310 VanDerWaalsContact O-OG1 3.08Å; I282-T310 VanDerWaalsContact O-CG2 3.31Å; I282-T310 WeakPolarHBondContact O-CG2 3.44Å; D283-T310 WeakPolarHBondContact O-CB 3.23Å; D283-T310 VanDerWaalsContact O-CG2 3.24Å; D283-T310 WeakPolarHBondContact O-CG2 3.44Å
311Q95.7Very high90.7Very high19 Ų1958.2 Ų58.29%0.08931%0.308CS..EExtended strand (participates in β ladder)trans-135.7155.3178.970.5-171.631.200110.6W185 I189 A212 F313W185-Q311 HydrophobicContact CH2-CB 3.79Å; W185-Q311 HydrophobicContact CZ2-CB 3.79Å; I189-Q311 HydrophobicContact CB-CB 4.49Å; I189-Q311 HydrophobicContact CD1-CB 4.26Å; I189-Q311 HydrophobicContact CG2-CB 4.18Å; A212-Q311 PolarHBondContact N-O 3.27Å; A212-Q311 VanDerWaalsContact N-O 3.07Å; A212-Q311 PolarHBondContact O-N 3.42Å; Q311-F313 HydrophobicContact CG-CD2 4.05Å; Q311-F313 HydrophobicContact CG-CE1 4.43Å; Q311-F313 HydrophobicContact CG-CE2 3.3Å; Q311-F313 HydrophobicContact CG-CZ 3.55Å; Q311-F313 VanDerWaalsContact O-CD2 3.25Å; Q311-F313 WeakPolarHBondContact O-CD2 3.43Å
312P95.8Very high90.2Very high30 Ų3056.4 Ų56.420%0.19530%0.301CS..EExtended strand (participates in β ladder)trans-76.1141.6179.130.7-33000111M167 L172 W211M167-P312 HydrophobicContact SD-CB 3.35Å; M167-P312 WeakPolarHBondContact SD-CB 3.21Å; L172-P312 HydrophobicContact CD1-CG 3.84Å; L172-P312 HydrophobicContact CD2-CG 4.41Å; W211-P312 HydrophobicContact CD2-CB 4.31Å; W211-P312 HydrophobicContact CE3-CB 4.43Å; W211-P312 HydrophobicContact CH2-CG 4.44Å; W211-P312 HydrophobicContact CZ2-CB 4.42Å; W211-P312 HydrophobicContact CZ3-CG 4.47Å
313F94.8Very high89.5Confident26 Ų2657.1 Ų57.111%0.11430%0.296CS..EExtended strand (participates in β ladder)trans-130.4159.7174.9-69.2-86.1000110.4L198 F209 F210 A212 Q311 I334L198-F313 HydrophobicContact CD1-CD1 3.86Å; L198-F313 HydrophobicContact CD1-CD2 4.15Å; L198-F313 HydrophobicContact CD1-CE1 3.7Å; L198-F313 HydrophobicContact CD1-CE2 4Å; L198-F313 HydrophobicContact CD1-CG 4.06Å; L198-F313 HydrophobicContact CD1-CZ 3.74Å; L198-F313 HydrophobicContact CD2-CE1 3.99Å; L198-F313 HydrophobicContact CD2-CE2 3.83Å; L198-F313 HydrophobicContact CD2-CZ 3.36Å; L198-F313 HydrophobicContact CG-CE2 4.48Å; L198-F313 HydrophobicContact CG-CZ 4.2Å; F209-F313 WeakPolarHBondContact CA-O 3.4Å; F210-F313 HydrophobicContact CD1-CB 4.05Å; F210-F313 HydrophobicContact CD2-CB 4.23Å; F210-F313 HydrophobicContact CE1-CB 3.51Å; F210-F313 HydrophobicContact CE2-CB 3.75Å; F210-F313 HydrophobicContact CE2-CD2 4.15Å; F210-F313 HydrophobicContact CE2-CG 4.18Å; F210-F313 HydrophobicContact CG-CB 4.38Å; F210-F313 HydrophobicContact CZ-CB 3.36Å; F210-F313 HydrophobicContact CZ-CD2 4.47Å; F210-F313 HydrophobicContact CZ-CG 4.04Å; F210-F313 PolarHBondContact N-O 3.5Å; F210-F313 PolarHBondContact O-N 2.97Å; A212-F313 HydrophobicContact CB-CD2 3.81Å; A212-F313 HydrophobicContact CB-CE2 3.81Å; Q311-F313 HydrophobicContact CG-CD2 4.05Å; Q311-F313 HydrophobicContact CG-CE1 4.43Å; Q311-F313 HydrophobicContact CG-CE2 3.3Å; Q311-F313 HydrophobicContact CG-CZ 3.55Å; Q311-F313 VanDerWaalsContact O-CD2 3.25Å; Q311-F313 WeakPolarHBondContact O-CD2 3.43Å; F313-I334 HydrophobicContact CE1-CD1 3.89Å; F313-I334 HydrophobicContact CE1-CG1 4.23Å; F313-I334 HydrophobicContact CZ-CD1 4.42Å
314M93.3Very high88.9Confident75 Ų7562.8 Ų62.837%0.36932%0.323SS..EExtended strand (participates in β ladder)trans-130.1131.1171.4-171.3-175.572.300108.8P208 F209 L338P208-M314 HydrophobicContact CB-CG 3.79Å; P208-M314 HydrophobicContact CG-CG 3.77Å; P208-M314 HydrophobicContact CG-SD 4.24Å; P208-M314 CarbonylContact O-C 3.58Å; P208-M314 WeakPolarHBondContact O-CA 3.5Å; F209-M314 HydrophobicContact CD1-CB 3.94Å; F209-M314 HydrophobicContact CD1-CG 3.91Å; F209-M314 HydrophobicContact CD1-SD 4.39Å; F209-M314 HydrophobicContact CE1-CB 3.98Å; F209-M314 HydrophobicContact CE1-CG 3.73Å; F209-M314 HydrophobicContact CE1-SD 3.6Å; F209-M314 VanDerWaalsContact CE1-SD 3.6Å; F209-M314 HydrophobicContact CZ-CG 4.34Å; F209-M314 HydrophobicContact CZ-SD 3.86Å; M314-L338 HydrophobicContact CE-CD1 3.56Å; M314-L338 HydrophobicContact CE-CD2 4.09Å; M314-L338 HydrophobicContact CE-CG 4.38Å; M314-L338 HydrophobicContact SD-CD1 4.3Å; M314-L338 HydrophobicContact SD-CD2 3.75Å
315L91.8Very high88.4Confident44 Ų4463.9 Ų63.923%0.2333%0.33CS..  trans-70.9133169-69.9179000110.6P208 F210 K317 L320P208-L315 HydrophobicContact CB-CB 4.18Å; P208-L315 WeakPolarHBondContact CB-O 3.17Å; P208-L315 PolarHBondContact O-N 3.28Å; F210-L315 HydrophobicContact CD1-CG 4.26Å; F210-L315 HydrophobicContact CE1-CD2 3.86Å; F210-L315 HydrophobicContact CE1-CG 3.78Å; F210-L315 HydrophobicContact CZ-CD2 4.35Å; L315-K317 VanDerWaalsContact C-N 3.31Å; L315-K317 WeakPolarHBondContact CB-O 3.35Å; L315-L320 HydrophobicContact CD1-CD1 4.41Å; L315-L320 HydrophobicContact CD1-CD2 3.91Å; L315-L320 HydrophobicContact CD1-CG 3.7Å
316E86.4Confident88Confident133 Ų13360.5 Ų60.562%0.62131%0.309SS*.SBendtrans-70-32.2172.2-70.6-170.5166.900112.3T335E316-T335 WeakPolarHBondContact OE1-CB 3.2Å; E316-T335 VanDerWaalsContact OE1-CG2 3.24Å; E316-T335 WeakPolarHBondContact OE1-CG2 3.43Å; E316-T335 PolarHBondContact OE1-OG1 3.01Å
317K79.3Confident87.6Confident166 Ų16663.4 Ų63.472%0.72232%0.322SS*.SBendtrans-137.4149.2-178.4-60.9179.6-175.2175.60108.3L315L315-K317 VanDerWaalsContact C-N 3.31Å; L315-K317 WeakPolarHBondContact CB-O 3.35Å
318D80.9Confident87.4Confident138 Ų13869 Ų6974%0.73834%0.338SS*.SBendtrans67.6170.3-177.3-50.4-49.8000114.5
319I82.3Confident87.3Confident74 Ų7473.4 Ų73.438%0.37936%0.36SS..  trans-134.2129.6-176.9-68.2172.4000107.5F161 K206 S321F161-I319 HydrophobicContact CE1-CD1 4.24Å; F161-I319 HydrophobicContact CE2-CD1 4.29Å; F161-I319 HydrophobicContact CZ-CD1 3.51Å; F161-I319 HydrophobicContact CZ-CG1 4.34Å; K206-I319 VanDerWaalsContact C-CG2 3.42Å; I319-S321 PolarHBondContact O-N 3.39Å
320L80.7Confident87.2Confident22 Ų2275.5 Ų75.512%0.11537%0.371CS..BIsolated β-bridgetrans-73.5112.8169.4-59.8-179.1000108.6I203 F210 L315 V325 L330I203-L320 HydrophobicContact CG2-CB 4.2Å; I203-L320 HydrophobicContact CG2-CD1 3.86Å; F210-L320 HydrophobicContact CB-CD1 3.94Å; F210-L320 HydrophobicContact CD1-CD1 4.02Å; F210-L320 HydrophobicContact CD2-CD1 4.39Å; F210-L320 HydrophobicContact CG-CD1 3.86Å; L315-L320 HydrophobicContact CD1-CD1 4.41Å; L315-L320 HydrophobicContact CD1-CD2 3.91Å; L315-L320 HydrophobicContact CD1-CG 3.7Å; L320-V325 HydrophobicContact CB-CG2 4.31Å; L320-V325 HydrophobicContact CD1-CG2 4.06Å; L320-V325 HydrophobicContact CD2-CG1 4.43Å; L320-V325 HydrophobicContact CD2-CG2 4.22Å; L320-V325 HydrophobicContact CG-CG2 4.42Å; L320-L330 HydrophobicContact CD1-CD1 4.33Å
321S74.8Confident87.1Confident92 Ų9284.5 Ų84.564%0.64341%0.41SS*.  trans-109.5-18.7179.760.10000113.9I319I319-S321 PolarHBondContact O-N 3.39Å
322S80.4Confident86.9Confident37 Ų3785.2 Ų85.226%0.25942%0.423SS..  trans-106.6132.9-175.8-176.10000111.2I203 E324 V325I203-S322 WeakPolarHBondContact CD1-O 3.5Å; S322-E324 PolarHBondContact O-N 3.49Å; S322-E324 VanDerWaalsContact OG-CB 3.31Å; S322-E324 WeakPolarHBondContact OG-CB 3.4Å; S322-E324 VanDerWaalsContact OG-CD 3.3Å; S322-E324 VanDerWaalsContact OG-CG 3.23Å; S322-E324 WeakPolarHBondContact OG-CG 3.29Å; S322-E324 PolarHBondContact OG-N 2.62Å; S322-E324 PolarHBondContact OG-OE2 3.06Å; S322-V325 WeakPolarHBondContact O-CG2 3.41Å; S322-V325 PolarHBondContact O-N 3.5Å
323Y78.8Confident86.8Confident135 Ų13590.6 Ų90.653%0.52944%0.443SS..G310 helixtrans-65-15.2170.4-74-79.5000112.8I203 P205 V325 V326I203-Y323 HydrophobicContact CD1-CD1 4.09Å; I203-Y323 HydrophobicContact CD1-CE1 4.39Å; I203-Y323 HydrophobicContact CD1-CG 4.33Å; I203-Y323 HydrophobicContact CG1-CD1 4.05Å; I203-Y323 HydrophobicContact CG1-CE1 4.09Å; P205-Y323 HydrophobicContact CG-CE1 4.45Å; P205-Y323 HydrophobicContact CG-CE2 4.24Å; P205-Y323 VanDerWaalsContact CG-OH 3.29Å; P205-Y323 WeakPolarHBondContact CG-OH 3.33Å; Y323-V325 PolarHBondContact O-N 2.87Å; Y323-V325 VanDerWaalsContact O-N 3.11Å; Y323-V326 HydrophobicContact CD1-CG2 4.38Å; Y323-V326 VanDerWaalsContact O-CB 3.27Å; Y323-V326 WeakPolarHBondContact O-CB 3.32Å; Y323-V326 WeakPolarHBondContact O-CG2 3.41Å; Y323-V326 PolarHBondContact O-N 2.96Å
324E80.1Confident86.8Confident140 Ų14090.2 Ų90.265%0.65444%0.443SS*.G310 helixtrans-63.2-17.2177.5-62.6165.4148.400113.3S322 V326 R328S322-E324 PolarHBondContact O-N 3.49Å; S322-E324 VanDerWaalsContact OG-CB 3.31Å; S322-E324 WeakPolarHBondContact OG-CB 3.4Å; S322-E324 VanDerWaalsContact OG-CD 3.3Å; S322-E324 VanDerWaalsContact OG-CG 3.23Å; S322-E324 WeakPolarHBondContact OG-CG 3.29Å; S322-E324 PolarHBondContact OG-N 2.62Å; S322-E324 PolarHBondContact OG-OE2 3.06Å; E324-V326 VanDerWaalsContact C-N 3.34Å; E324-R328 WeakPolarHBondContact O-CD 3.23Å; E324-R328 WeakPolarHBondContact O-CG 3.33Å; E324-R328 PolarHBondContact O-NE 3.14Å
325V84.1Confident86.7Confident31 Ų3190.3 Ų90.319%0.18845%0.448CS..G310 helixtrans-80.7-16.6175.2-51.90000112.5V200 I203 L320 S322 Y323 R328V200-V325 WeakPolarHBondContact CB-O 3.46Å; I203-V325 HydrophobicContact CG2-CG2 3.8Å; L320-V325 HydrophobicContact CB-CG2 4.31Å; L320-V325 HydrophobicContact CD1-CG2 4.06Å; L320-V325 HydrophobicContact CD2-CG1 4.43Å; L320-V325 HydrophobicContact CD2-CG2 4.22Å; L320-V325 HydrophobicContact CG-CG2 4.42Å; S322-V325 WeakPolarHBondContact O-CG2 3.41Å; S322-V325 PolarHBondContact O-N 3.5Å; Y323-V325 PolarHBondContact O-N 2.87Å; Y323-V325 VanDerWaalsContact O-N 3.11Å; V325-R328 WeakPolarHBondContact O-CB 3.37Å; V325-R328 PolarHBondContact O-N 2.72Å; V325-R328 VanDerWaalsContact O-N 3.12Å
326V86.8Confident86.5Confident29 Ų2989.7 Ų89.718%0.17645%0.451CS..THydrogen-bonded Turntrans-64.6140172.6-1790000108.5T201 I203 Y323 E324 R328T201-V326 WeakPolarHBondContact O-CG1 3.46Å; I203-V326 HydrophobicContact CG1-CG2 4.23Å; I203-V326 HydrophobicContact CG2-CG2 4.15Å; Y323-V326 HydrophobicContact CD1-CG2 4.38Å; Y323-V326 VanDerWaalsContact O-CB 3.27Å; Y323-V326 WeakPolarHBondContact O-CB 3.32Å; Y323-V326 WeakPolarHBondContact O-CG2 3.41Å; Y323-V326 PolarHBondContact O-N 2.96Å; E324-V326 VanDerWaalsContact C-N 3.34Å; V326-R328 PolarHBondContact O-N 2.88Å
327H87.4Confident86.3Confident88 Ų8885 Ų8541%0.40744%0.435SS..THydrogen-bonded Turntrans64.714.5-170.9-47.2142.1000114.9V200V200-H327 WeakPolarHBondContact O-CA 3.19Å; V200-H327 PolarHBondContact O-N 3.12Å
328R91.1Very high86Confident155 Ų15581 Ų8159%0.58542%0.422SS*.PPolyproline II helixtrans-102.2152.5169.8-58.4-164.5-177-150.5-1.8111.9V200 E324 V325 V326V200-R328 PolarHBondContact N-O 3.31Å; E324-R328 WeakPolarHBondContact O-CD 3.23Å; E324-R328 WeakPolarHBondContact O-CG 3.33Å; E324-R328 PolarHBondContact O-NE 3.14Å; V325-R328 WeakPolarHBondContact O-CB 3.37Å; V325-R328 PolarHBondContact O-N 2.72Å; V325-R328 VanDerWaalsContact O-N 3.12Å; V326-R328 PolarHBondContact O-N 2.88Å
329I95Very high84.9Confident99 Ų9981.7 Ų81.751%0.50843%0.425SS..EExtended strand (participates in β ladder)trans-88.9117.8173.9-58.4175.1000108.9L198 L199 I215 K331L198-I329 CarbonylContact O-C 3.58Å; L198-I329 WeakPolarHBondContact O-CA 3.45Å; L199-I329 HydrophobicContact CD1-CG1 4.15Å; I215-I329 HydrophobicContact CD1-CB 4.32Å; I215-I329 HydrophobicContact CD1-CD1 3.72Å; I215-I329 HydrophobicContact CD1-CG1 3.79Å; I215-I329 HydrophobicContact CD1-CG2 3.63Å; I329-K331 HydrophobicContact CG2-CG 4.37Å
330L94.4Very high83.3Confident52 Ų5281.6 Ų81.627%0.27243%0.431SS..EExtended strand (participates in β ladder)trans-89.1132.7165.6-59.7-177.7000109G197 L198 V200 F210 L320G197-L330 CarbonylContact C-O 3.43Å; G197-L330 WeakPolarHBondContact CA-O 3.33Å; L198-L330 PolarHBondContact N-O 2.8Å; L198-L330 PolarHBondContact O-N 2.91Å; V200-L330 HydrophobicContact CG2-CD1 3.53Å; V200-L330 HydrophobicContact CG2-CG 3.66Å; F210-L330 HydrophobicContact CE2-CD1 4.3Å; F210-L330 HydrophobicContact CZ-CD1 4.42Å; L320-L330 HydrophobicContact CD1-CD1 4.33Å
331K94.9Very high81.3Confident189 Ų18989 Ų8982%0.82247%0.465SS*.EExtended strand (participates in β ladder)trans-108.6133.8172.4-66-176.4179.9-178.70108.8I329I329-K331 HydrophobicContact CG2-CG 4.37Å
332G92.1Very high79.4Confident35 Ų3591.2 Ų91.236%0.36147%0.474SS..EExtended strand (participates in β ladder)trans175.7-166.2176.500000112E195 A196E195-G332 CarbonylContact C-O 3.57Å; E195-G332 WeakPolarHBondContact CA-O 3.28Å; A196-G332 PolarHBondContact N-O 3.14Å; A196-G332 PolarHBondContact O-N 3.39Å; A196-G332 VanDerWaalsContact O-N 3.1Å
333K94.8Very high76.9Confident142 Ų14295.6 Ų95.662%0.61750%0.5SS*.EExtended strand (participates in β ladder)trans-106.5126.4-175.3-170.3175.8-179.7176.60111.6G194G194-K333 CarbonylContact O-C 3.53Å; G194-K333 WeakPolarHBondContact O-CA 3.15Å
334I94.8Very high74.6Confident19 Ų1992.6 Ų92.610%0.09750%0.503CS..EExtended strand (participates in β ladder)trans-82.4114.4169.2-59.3169.3000108V192 R193 G194 A196 L198 F313V192-I334 HydrophobicContact CG1-CD1 3.46Å; V192-I334 VanDerWaalsContact CG1-CD1 3.46Å; V192-I334 HydrophobicContact CG1-CG2 4.47Å; V192-I334 VanDerWaalsContact O-CG2 3.24Å; V192-I334 WeakPolarHBondContact O-CG2 3.43Å; R193-I334 WeakPolarHBondContact CA-O 3.39Å; G194-I334 PolarHBondContact N-O 2.75Å; G194-I334 PolarHBondContact O-N 2.97Å; A196-I334 HydrophobicContact CB-CD1 3.44Å; A196-I334 VanDerWaalsContact CB-CD1 3.44Å; A196-I334 HydrophobicContact CB-CG1 3.9Å; L198-I334 HydrophobicContact CD2-CD1 4.26Å; F313-I334 HydrophobicContact CE1-CD1 3.89Å; F313-I334 HydrophobicContact CE1-CG1 4.23Å; F313-I334 HydrophobicContact CZ-CD1 4.42Å
335T91.2Very high72.2Confident77 Ų7791.3 Ų91.347%0.47251%0.507SS..  trans-90.6-30.8-175.754.10000112.6R193 E316R193-T335 VanDerWaalsContact CD-O 3.27Å; R193-T335 WeakPolarHBondContact CD-O 3.37Å; R193-T335 PolarHBondContact NE-O 3.08Å; E316-T335 WeakPolarHBondContact OE1-CB 3.2Å; E316-T335 VanDerWaalsContact OE1-CG2 3.24Å; E316-T335 WeakPolarHBondContact OE1-CG2 3.43Å; E316-T335 PolarHBondContact OE1-OG1 3.01Å
336G86.3Confident70Confident30 Ų3095 Ų9531%0.30954%0.54SS..  trans158.5-166.4163.400000115.6R193R193-G336 VanDerWaalsContact CD-CA 3.49Å
337A82.8Confident67.6Low34 Ų3498.1 Ų98.128%0.28156%0.563SS.*  trans-78.2141.6177.700000110.9H190 N339H190-A337 WeakPolarHBondContact CD2-CB 3.44Å; A337-N339 PolarHBondContact O-N 3.31Å
338L72.8Confident65.3Low84 Ų84101.4 Ų101.444%0.4458%0.584SS.*  trans-77.7106.4176.3-176.166.8000109.9F209 M314 S340F209-L338 HydrophobicContact CE1-CD2 4.21Å; M314-L338 HydrophobicContact CE-CD1 3.56Å; M314-L338 HydrophobicContact CE-CD2 4.09Å; M314-L338 HydrophobicContact CE-CG 4.38Å; M314-L338 HydrophobicContact SD-CD1 4.3Å; M314-L338 HydrophobicContact SD-CD2 3.75Å; L338-S340 WeakPolarHBondContact CD1-OG 3.34Å; L338-S340 WeakPolarHBondContact CG-OG 3.33Å; L338-S340 PolarHBondContact O-N 3.32Å
339N58.3Low62.4Low151 Ų151102.3 Ų102.381%0.80760%0.6SS**  trans-80.861.3171.2-65.6-14.1000110.4A337A337-N339 PolarHBondContact O-N 3.31Å
340S48.2Very low59.4Low72 Ų72102.1 Ų102.150%0.50361%0.612SS.*  trans-101.359.5174.4-700000110.5L338L338-S340 WeakPolarHBondContact CD1-OG 3.34Å; L338-S340 WeakPolarHBondContact CG-OG 3.33Å; L338-S340 PolarHBondContact O-N 3.32Å
341E38.2Very low56.4Low178 Ų178107.3 Ų107.383%0.83264%0.639SS**  trans-78.1112.3146.6-73.7-170.4164.700106T343E341-T343 PolarHBondContact O-N 2.89Å
342V34.7Very low53.5Low139 Ų139106 Ų10684%0.84264%0.64SS**  trans-51.2111.9164.6172.90000106.1A344V342-A344 PolarHBondContact O-N 2.99Å
343T29Very low50.7Low128 Ų128109.4 Ų109.479%0.78566%0.656SS**  trans-62.592.8169.9-23.60000106E341E341-T343 PolarHBondContact O-N 2.89Å
344A29Very low47.9Very low73 Ų73108.7 Ų108.760%0.60367%0.665SS**  trans-57136.2151.700000105.8V342 A346V342-A344 PolarHBondContact O-N 2.99Å; A344-A346 PolarHBondContact O-N 3.15Å
345P31.5Very low45.2Very low113 Ų113116 Ų11673%0.73470%0.704SS**  trans-56.6122.3-179.424-31.1000107.6S347P345-S347 VanDerWaalsContact C-N 3.32Å; P345-S347 PolarHBondContact O-N 3.03Å
346A36.9Very low42.4Very low107 Ų107120.2 Ų120.288%0.88472%0.723SS**  trans-60.499.7171.400000107.6A344A344-A346 PolarHBondContact O-N 3.15Å
347S36.3Very low40.1Very low95 Ų95124.4 Ų124.466%0.66475%0.745SS**  trans-128.7106.9162.853.30000108.2P345P345-S347 VanDerWaalsContact C-N 3.32Å; P345-S347 PolarHBondContact O-N 3.03Å
348N39.3Very low38Very low157 Ų157131.6 Ų131.684%0.8478%0.777SS**  trans71.480.5161.5-59.1-18.8000117.9
349L29.9Very low36Very low175 Ų175131.1 Ų131.192%0.91679%0.792SS**  trans-119.3105.1139.3-87.2160.8000107.7I351L349-I351 PolarHBondContact O-N 3.38Å
350A31.4Very low34.6Very low94 Ų94129 Ų12978%0.77779%0.789SS**PPolyproline II helixtrans-58.2132.1172.900000109.5L352A350-L352 PolarHBondContact O-N 3.39Å
351I32.8Very low33.9Very low162 Ų162132.5 Ų132.583%0.83180%0.802SS**PPolyproline II helixtrans-60.4119.4172-63.1163000108L349L349-I351 PolarHBondContact O-N 3.38Å
352L33.1Very low33.7Very low162 Ų162131.1 Ų131.185%0.84880%0.795SS**PPolyproline II helixtrans-98132.7158.8-89.9159.3000108.2A350A350-L352 PolarHBondContact O-N 3.39Å
353P34.2Very low33.7Very low105 Ų105132.8 Ų132.868%0.68279%0.794SS**PPolyproline II helixtrans-77162.7-177.830.7-32000112.6
354P35.4Very low33.8Very low127 Ų127131.1 Ų131.183%0.82579%0.793SS**PPolyproline II helixtrans-80.2156.8-166.832-33.9000114.3
355L37.7Very low34Very low174 Ų174132.7 Ų132.791%0.91181%0.806SS**PPolyproline II helixtrans-62.7150.8-179.4-69.7158.3000114
356L32.6Very low34.3Very low164 Ų164135.7 Ų135.786%0.85984%0.84SS**  trans-115.9157.7159.8-81176.4000110.4
357P37.5Very low34.2Very low119 Ų119137.1 Ų137.177%0.77384%0.838SS**  trans-94.2165.9-144.311.46.2000115.6G359P357-G359 PolarHBondContact O-N 3.16Å
358L38.7Very low34.1Very low185 Ų185139.3 Ų139.397%0.96985%0.847SS**  trans-48122.7174.2-102.684.1000112.8
359G30.4Very low33.8Very low73 Ų73138.3 Ų138.375%0.75385%0.848SS**  trans-127.2118.1165.300000110P357P357-G359 PolarHBondContact O-N 3.16Å
360S30.4Very low34Very low107 Ų107136.2 Ų136.275%0.74884%0.844SS**  trans-36.7156.2175.6-27.90000119
361L33Very low34.1Very low146 Ų146138.8 Ų138.876%0.76485%0.848SS**  trans86.6109.4139.1-72.3154.1000120.3
362Q33.4Very low34.2Very low148 Ų148137.3 Ų137.369%0.69285%0.849SS**  81.9122.3114.9-131.41673.300120.6
363Q34.4Very low34.3Very low174 Ų174135.5 Ų135.581%0.81385%0.849SS**  trans55.7123.1142.1-81.6175.6-13.900120.8
364A30.9Very low34.3Very low93 Ų93137.8 Ų137.877%0.76986%0.862SS**  144.1139.510500000113.2
365A35.1Very low34.2Very low106 Ų106138.8 Ų138.888%0.87687%0.865SS**  trans67.1129.5160.700000116.6
366A36.7Very low33.9Very low176 Ų176135.5 Ų135.5100%1.45586%0.861SS**  cis-149.8021.900000111.1

Retrieved 366 of 366 residues in 400.3 ms (Link to these results)