A0A087XH05_POEFO Loading...

Protein DPCD

AlphaFold DB , UniProt , Accession A0A087XH05, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 202 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M37.8Very low74.9Confident237 Ų23779 Ų79100%1.16743%0.431SS*.  0120.70-70-170-81.300106.9V3M1-V3 PolarHBondContact O-N 3.06Å
2A43.7Very low76.3Confident100 Ų10079.4 Ų79.483%0.82644%0.444SS*.  trans-61.1127.4176.500000108.1Q4A2-Q4 PolarHBondContact O-N 2.97Å; A2-Q4 VanDerWaalsContact O-N 3.1Å
3V53.3Low77.7Confident110 Ų11073.9 Ų73.967%0.66741%0.414SS*.  trans-63.4114.9176.3179.20000106.8M1 N5 Q148M1-V3 PolarHBondContact O-N 3.06Å; V3-N5 PolarHBondContact O-N 2.96Å; V3-Q148 HydrophobicContact CG1-CG 3.97Å
4Q62.9Low78.8Confident119 Ų11978.6 Ų78.656%0.55643%0.431SS*.  trans-62.2127.6179.8-165.87044.300108.7A2 W6 D8 V9A2-Q4 PolarHBondContact O-N 2.97Å; A2-Q4 VanDerWaalsContact O-N 3.1Å; Q4-W6 PolarHBondContact O-N 3.2Å; Q4-D8 HydrophobicContact CG-CB 4.32Å; Q4-D8 PolarHBondContact NE2-OD2 2.89Å; Q4-V9 HydrophobicContact CB-CG2 4.02Å; Q4-V9 HydrophobicContact CG-CG2 3.59Å
5N83.6Confident79.9Confident86 Ų8676.1 Ų76.146%0.4641%0.414SS..  trans-62.5132.8175.8-172.2-21.1000109V3 I7 D8 V9V3-N5 PolarHBondContact O-N 2.96Å; N5-I7 HydrophobicContact CB-CG2 4.45Å; N5-I7 PolarHBondContact O-N 3.37Å; N5-I7 VanDerWaalsContact O-N 3.16Å; N5-I7 PolarHBondContact OD1-N 3.33Å; N5-D8 WeakPolarHBondContact CB-OD2 3.23Å; N5-D8 WeakPolarHBondContact O-CB 3.49Å; N5-D8 PolarHBondContact O-N 3.14Å; N5-V9 PolarHBondContact O-N 3.08Å
6W89.8Confident80.8Confident27 Ų2777.4 Ų77.410%0.10243%0.425CS..Hα-helixtrans-53.2-38-176.5174.6-125.3000113Q4 D8 V9 L10 F30 W52 R146 L178Q4-W6 PolarHBondContact O-N 3.2Å; W6-D8 VanDerWaalsContact C-N 3.27Å; W6-D8 PolarHBondContact O-N 3.27Å; W6-V9 HydrophobicContact CE3-CB 4.07Å; W6-V9 HydrophobicContact CE3-CG1 4.27Å; W6-V9 HydrophobicContact CZ3-CB 4.21Å; W6-V9 HydrophobicContact CZ3-CG1 3.92Å; W6-V9 WeakPolarHBondContact O-CB 3.43Å; W6-V9 PolarHBondContact O-N 3.44Å; W6-L10 HydrophobicContact CD2-CD1 4.33Å; W6-L10 HydrophobicContact CD2-CG 4.26Å; W6-L10 HydrophobicContact CH2-CD2 3.76Å; W6-L10 HydrophobicContact CH2-CG 4.09Å; W6-L10 HydrophobicContact CZ2-CD1 3.86Å; W6-L10 HydrophobicContact CZ2-CD2 3.54Å; W6-L10 HydrophobicContact CZ2-CG 3.73Å; W6-L10 PolarHBondContact O-N 3.26Å; W6-F30 HydrophobicContact CH2-CE1 4.13Å; W6-F30 AromaticContact CH2-CZ 3.92Å; W6-F30 HydrophobicContact CH2-CZ 3.92Å; W6-F30 HydrophobicContact CZ3-CE1 4.36Å; W6-W52 AromaticContact CH2-CH2 3.7Å; W6-W52 HydrophobicContact CH2-CH2 3.7Å; W6-W52 HydrophobicContact CH2-CZ2 4.1Å; W6-W52 HydrophobicContact CZ2-CH2 4.46Å; W6-W52 HydrophobicContact CZ2-CZ2 4.45Å; W6-W52 HydrophobicContact CZ3-CH2 4.47Å; W6-R146 HydrophobicContact CB-CB 4.17Å; W6-R146 HydrophobicContact CD2-CB 3.96Å; W6-R146 HydrophobicContact CD2-CG 4.25Å; W6-R146 HydrophobicContact CE3-CB 4.33Å; W6-R146 HydrophobicContact CE3-CG 4.31Å; W6-R146 HydrophobicContact CG-CB 3.85Å; W6-L178 HydrophobicContact CB-CD1 4.36Å; W6-L178 HydrophobicContact CG-CD1 4.49Å
7I88.4Confident81.5Confident8 Ų873.5 Ų73.54%0.04141%0.406CS..Hα-helixtrans-63.8-32.9177.4-165.959.7000112.6N5 L10 K11 L178 L182N5-I7 HydrophobicContact CB-CG2 4.45Å; N5-I7 PolarHBondContact O-N 3.37Å; N5-I7 VanDerWaalsContact O-N 3.16Å; N5-I7 PolarHBondContact OD1-N 3.33Å; I7-L10 PolarHBondContact O-N 3.36Å; I7-K11 HydrophobicContact CG1-CD 4.25Å; I7-K11 WeakPolarHBondContact O-CB 3.31Å; I7-K11 VanDerWaalsContact O-CG 3.31Å; I7-K11 WeakPolarHBondContact O-CG 3.34Å; I7-K11 PolarHBondContact O-N 2.78Å; I7-L178 HydrophobicContact CB-CD1 4.18Å; I7-L178 HydrophobicContact CB-CG 4.18Å; I7-L178 HydrophobicContact CD1-CD2 4.32Å; I7-L178 HydrophobicContact CD1-CG 4.15Å; I7-L182 HydrophobicContact CD1-CB 4.09Å
8D90.3Very high82.2Confident62 Ų6272.6 Ų72.633%0.33240%0.4SS..Hα-helixtrans-73.7-34.6178.7-60.7-27.8000111.1Q4 N5 W6 L10 K11 S12Q4-D8 HydrophobicContact CG-CB 4.32Å; Q4-D8 PolarHBondContact NE2-OD2 2.89Å; N5-D8 WeakPolarHBondContact CB-OD2 3.23Å; N5-D8 WeakPolarHBondContact O-CB 3.49Å; N5-D8 PolarHBondContact O-N 3.14Å; W6-D8 VanDerWaalsContact C-N 3.27Å; W6-D8 PolarHBondContact O-N 3.27Å; D8-L10 VanDerWaalsContact C-N 3.32Å; D8-K11 PolarHBondContact O-N 3.2Å; D8-S12 VanDerWaalsContact O-CB 3.32Å; D8-S12 WeakPolarHBondContact O-CB 3.46Å; D8-S12 PolarHBondContact O-N 3.3Å; D8-S12 PolarHBondContact O-OG 3.17Å
9V91.8Very high82.8Confident40 Ų4071.9 Ų71.924%0.24240%0.395CS..Hα-helixtrans-62.4-44.4172.6-179.70000109.8Q4 N5 W6 S12 S13 F30Q4-V9 HydrophobicContact CB-CG2 4.02Å; Q4-V9 HydrophobicContact CG-CG2 3.59Å; N5-V9 PolarHBondContact O-N 3.08Å; W6-V9 HydrophobicContact CE3-CB 4.07Å; W6-V9 HydrophobicContact CE3-CG1 4.27Å; W6-V9 HydrophobicContact CZ3-CB 4.21Å; W6-V9 HydrophobicContact CZ3-CG1 3.92Å; W6-V9 WeakPolarHBondContact O-CB 3.43Å; W6-V9 PolarHBondContact O-N 3.44Å; V9-S12 PolarHBondContact O-OG 2.86Å; V9-S13 PolarHBondContact O-N 2.9Å; V9-S13 VanDerWaalsContact O-N 3.14Å; V9-F30 HydrophobicContact CG1-CD1 3.74Å; V9-F30 HydrophobicContact CG1-CE1 3.88Å
10L92.1Very high83.2Confident0 Ų071.5 Ų71.50%039%0.39CS..Hα-helixtrans-62.5-51.8174.9-70.4172.7000110.7W6 I7 D8 S12 S13 K15 Y28 F30 M36 L182W6-L10 HydrophobicContact CD2-CD1 4.33Å; W6-L10 HydrophobicContact CD2-CG 4.26Å; W6-L10 HydrophobicContact CH2-CD2 3.76Å; W6-L10 HydrophobicContact CH2-CG 4.09Å; W6-L10 HydrophobicContact CZ2-CD1 3.86Å; W6-L10 HydrophobicContact CZ2-CD2 3.54Å; W6-L10 HydrophobicContact CZ2-CG 3.73Å; W6-L10 PolarHBondContact O-N 3.26Å; I7-L10 PolarHBondContact O-N 3.36Å; D8-L10 VanDerWaalsContact C-N 3.32Å; L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 3Å; L10-S13 PolarHBondContact O-N 2.84Å; L10-S13 PolarHBondContact O-OG 3.36Å; L10-K15 WeakPolarHBondContact O-CE 3.26Å; L10-K15 PolarHBondContact O-NZ 3.3Å; L10-Y28 HydrophobicContact CD2-CD1 4.18Å; L10-Y28 HydrophobicContact CD2-CE1 4.06Å; L10-F30 HydrophobicContact CD2-CE1 4.14Å; L10-F30 HydrophobicContact CD2-CZ 4.12Å; L10-M36 HydrophobicContact CD2-CE 3.64Å; L10-L182 HydrophobicContact CB-CD1 4.18Å; L10-L182 HydrophobicContact CD1-CD1 3.87Å; L10-L182 HydrophobicContact CD1-CD2 3.75Å; L10-L182 HydrophobicContact CD1-CG 4.36Å
11K90.8Very high83.4Confident80 Ų8073.7 Ų73.735%0.34840%0.402SS..Hα-helixtrans-56.4-42.1179.4-78.5167.7177.9171.80113.7I7 D8 K15 E181 E185I7-K11 HydrophobicContact CG1-CD 4.25Å; I7-K11 WeakPolarHBondContact O-CB 3.31Å; I7-K11 VanDerWaalsContact O-CG 3.31Å; I7-K11 WeakPolarHBondContact O-CG 3.34Å; I7-K11 PolarHBondContact O-N 2.78Å; D8-K11 PolarHBondContact O-N 3.2Å; K11-K15 PolarHBondContact O-NZ 2.87Å; K11-E181 WeakPolarHBondContact CE-OE1 3.35Å; K11-E181 IonicContact NZ-OE1 2.91Å; K11-E181 PolarHBondContact NZ-OE1 3.46Å; K11-E181 IonicContact NZ-OE2 3.44Å; K11-E185 WeakPolarHBondContact CG-OE2 3.41Å
12S91.6Very high86Confident84 Ų8464.6 Ų64.659%0.58737%0.369SS*.Hα-helixtrans-78-17.5-178.758.10000114.5D8 V9 L10D8-S12 VanDerWaalsContact O-CB 3.32Å; D8-S12 WeakPolarHBondContact O-CB 3.46Å; D8-S12 PolarHBondContact O-N 3.3Å; D8-S12 PolarHBondContact O-OG 3.17Å; V9-S12 PolarHBondContact O-OG 2.86Å; L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 3Å
13S93.8Very high88.4Confident8 Ų863 Ų636%0.05634%0.343CS..SBendtrans-65.9150.8176.669.30000112.8V9 L10 K15 Y28V9-S13 PolarHBondContact O-N 2.9Å; V9-S13 VanDerWaalsContact O-N 3.14Å; L10-S13 PolarHBondContact O-N 2.84Å; L10-S13 PolarHBondContact O-OG 3.36Å; S13-K15 PolarHBondContact O-NZ 2.67Å; S13-Y28 WeakPolarHBondContact OG-CD1 3.34Å
14Q94.1Very high90.4Very high140 Ų14059.2 Ų59.265%0.65432%0.317SS*.EExtended strand (participates in β ladder)trans-72.6132.1169.6-68.4-174.4-700109.1Y28 L29Q14-Y28 CarbonylContact O-C 3.52Å; Q14-Y28 WeakPolarHBondContact O-CA 3.21Å; Q14-L29 HydrophobicContact CB-CB 4.29Å; Q14-L29 PolarHBondContact N-O 3.31Å; Q14-L29 PolarHBondContact O-N 2.85Å
15K94.4Very high91.9Very high41 Ų4155.8 Ų55.818%0.17830%0.3CS..EExtended strand (participates in β ladder)trans-127.6136.8-174.8-52-178.2-168.575.80111.1L10 K11 S13 H27 Y28 E185 L189L10-K15 WeakPolarHBondContact O-CE 3.26Å; L10-K15 PolarHBondContact O-NZ 3.3Å; K11-K15 PolarHBondContact O-NZ 2.87Å; S13-K15 PolarHBondContact O-NZ 2.67Å; K15-H27 VanDerWaalsContact CA-O 3.28Å; K15-H27 WeakPolarHBondContact CA-O 3.21Å; K15-Y28 HydrophobicContact CD-CD1 3.89Å; K15-Y28 HydrophobicContact CD-CE1 3.67Å; K15-Y28 HydrophobicContact CG-CD1 3.75Å; K15-Y28 HydrophobicContact CG-CE1 4.06Å; K15-E185 WeakPolarHBondContact CE-OE1 3.39Å; K15-E185 IonicContact NZ-OE1 3.64Å; K15-E185 PolarHBondContact NZ-OE1 2.88Å; K15-L189 HydrophobicContact CB-CD1 3.97Å; K15-L189 HydrophobicContact CD-CD1 4.05Å
16T93.9Very high92.6Very high96 Ų9651.8 Ų51.859%0.58928%0.279SS*.EExtended strand (participates in β ladder)trans-120.9145.7164.557.10000109.4I26 H27T16-I26 WeakPolarHBondContact O-CA 2.97Å; T16-H27 PolarHBondContact N-O 2.93Å; T16-H27 PolarHBondContact O-N 3.36Å
17A94.1Very high92.9Very high11 Ų1152.8 Ų52.89%0.09128%0.284CS..EExtended strand (participates in β ladder)trans-126.2135.7-177.600000110.2K25 I26 L189 G191 T192A17-K25 WeakPolarHBondContact CA-O 3.35Å; A17-I26 HydrophobicContact CB-CD1 3.45Å; A17-I26 VanDerWaalsContact CB-CD1 3.45Å; A17-L189 HydrophobicContact CB-CB 3.72Å; A17-L189 HydrophobicContact CB-CD1 4.27Å; A17-G191 WeakPolarHBondContact O-CA 3.33Å; A17-T192 PolarHBondContact O-N 3.21Å
18L93.9Very high93.2Very high57 Ų5752.4 Ų52.430%0.29828%0.282SS..EExtended strand (participates in β ladder)trans-131.1135.3176.2171.163.5000108.3Q20 K25 T192L18-Q20 HydrophobicContact CG-CB 4.32Å; L18-K25 HydrophobicContact CB-CB 4.41Å; L18-K25 HydrophobicContact CD2-CD 4.46Å; L18-K25 PolarHBondContact N-O 2.93Å; L18-K25 PolarHBondContact O-N 2.81Å; L18-T192 VanDerWaalsContact CD1-O 3.23Å; L18-T192 WeakPolarHBondContact CD1-O 3.44Å
19I93.2Very high93.4Very high61 Ų6152.2 Ų52.231%0.31328%0.281SS..EExtended strand (participates in β ladder)trans-107118.7172-65.4174.1000108K23 L42 T192I19-K23 WeakPolarHBondContact CA-O 3.38Å; I19-L42 HydrophobicContact CG2-CD1 3.79Å; I19-T192 PolarHBondContact N-O 3.41Å
20Q90.1Very high93.5Very high62 Ų6251 Ų5129%0.2927%0.273SS..EExtended strand (participates in β ladder)trans-151.6140.2-177-167.1-177.924.200110.4L18 G22 K23 E194L18-Q20 HydrophobicContact CG-CB 4.32Å; Q20-G22 PolarHBondContact O-N 2.98Å; Q20-K23 PolarHBondContact N-O 2.94Å; Q20-K23 WeakPolarHBondContact O-CA 3.4Å; Q20-K23 WeakPolarHBondContact O-CB 3.38Å; Q20-K23 PolarHBondContact O-N 2.92Å; Q20-E194 HydrophobicContact CG-CG 4.3Å; Q20-E194 WeakPolarHBondContact CG-OE1 3.4Å
21D88.9Confident93.4Very high119 Ų11957.6 Ų57.664%0.63631%0.313SS*.THydrogen-bonded Turntrans53.835.5177-55.7-46.4000114.5K23D21-K23 PolarHBondContact O-N 3.24Å
22G91.4Very high93.2Very high46 Ų4658 Ų5847%0.47432%0.319SS..THydrogen-bonded Turntrans7014.8-176.500000114.3Q20 L42Q20-G22 PolarHBondContact O-N 2.98Å; G22-L42 VanDerWaalsContact C-CD1 3.44Å; G22-L42 VanDerWaalsContact O-CB 3.26Å; G22-L42 WeakPolarHBondContact O-CB 3.48Å; G22-L42 WeakPolarHBondContact O-CD1 3.25Å; G22-L42 WeakPolarHBondContact O-CG 3.43Å; G22-L42 PolarHBondContact O-N 3.42Å; G22-L42 VanDerWaalsContact O-N 3.14Å
23K94.6Very high93Very high66 Ų6655.2 Ų55.229%0.28730%0.304SS..EExtended strand (participates in β ladder)trans-116.8148177.2-58.2176.9-178.4178.80110.9I19 Q20 D21 E39 Y40 I48I19-K23 WeakPolarHBondContact CA-O 3.38Å; Q20-K23 PolarHBondContact N-O 2.94Å; Q20-K23 WeakPolarHBondContact O-CA 3.4Å; Q20-K23 WeakPolarHBondContact O-CB 3.38Å; Q20-K23 PolarHBondContact O-N 2.92Å; D21-K23 PolarHBondContact O-N 3.24Å; K23-E39 IonicContact NZ-OE2 2.67Å; K23-E39 PolarHBondContact NZ-OE2 3.45Å; K23-Y40 CarbonylContact C-O 3.59Å; K23-Y40 VanDerWaalsContact CA-O 3.25Å; K23-Y40 WeakPolarHBondContact CA-O 3.43Å; K23-I48 HydrophobicContact CD-CD1 3.93Å; K23-I48 HydrophobicContact CG-CD1 3.89Å
24R94.9Very high93Very high30 Ų3058.2 Ų58.211%0.11332%0.316CS..EExtended strand (participates in β ladder)trans-98118.1165.4-176.8179.2-67.5151.2-4.4109.2I26 E39 Y40 L42 V186R24-I26 HydrophobicContact CG-CD1 3.72Å; R24-I26 HydrophobicContact CG-CG1 4.19Å; R24-E39 CarbonylContact O-C 3.5Å; R24-E39 WeakPolarHBondContact O-CA 3.34Å; R24-Y40 PolarHBondContact N-O 2.83Å; R24-Y40 PolarHBondContact O-N 2.87Å; R24-L42 HydrophobicContact CB-CD2 3.86Å; R24-V186 HydrophobicContact CG-CG1 4.39Å
25K95.6Very high93Very high47 Ų4752.3 Ų52.320%0.20429%0.288CS..EExtended strand (participates in β ladder)trans-104.4120.7178.8-52.7-176.5178.7170.70108.4A17 L18 E38 E39A17-K25 WeakPolarHBondContact CA-O 3.35Å; L18-K25 HydrophobicContact CB-CB 4.41Å; L18-K25 HydrophobicContact CD2-CD 4.46Å; L18-K25 PolarHBondContact N-O 2.93Å; L18-K25 PolarHBondContact O-N 2.81Å; K25-E38 CarbonylContact C-O 3.54Å; K25-E38 WeakPolarHBondContact CA-O 3.35Å; K25-E39 HydrophobicContact CG-CG 4.08Å
26I96.4Very high93.1Very high3 Ų350.4 Ų50.42%0.01528%0.279CS..EExtended strand (participates in β ladder)trans-114.6129.7178.3-52.4-59000108.8T16 A17 R24 Y28 A37 E38 Y40 V186 L189T16-I26 WeakPolarHBondContact O-CA 2.97Å; A17-I26 HydrophobicContact CB-CD1 3.45Å; A17-I26 VanDerWaalsContact CB-CD1 3.45Å; R24-I26 HydrophobicContact CG-CD1 3.72Å; R24-I26 HydrophobicContact CG-CG1 4.19Å; I26-Y28 HydrophobicContact CB-CE2 3.81Å; I26-Y28 HydrophobicContact CG2-CD1 4.4Å; I26-Y28 HydrophobicContact CG2-CD2 3.89Å; I26-Y28 HydrophobicContact CG2-CE1 3.94Å; I26-Y28 HydrophobicContact CG2-CE2 3.36Å; I26-Y28 HydrophobicContact CG2-CG 4.4Å; I26-Y28 VanDerWaalsContact CG2-CZ 3.42Å; I26-A37 CarbonylContact O-C 3.57Å; I26-A37 VanDerWaalsContact O-CA 3.25Å; I26-A37 WeakPolarHBondContact O-CA 3.44Å; I26-E38 PolarHBondContact N-O 2.84Å; I26-E38 PolarHBondContact O-N 3.13Å; I26-Y40 HydrophobicContact CG1-CE2 4.43Å; I26-V186 HydrophobicContact CD1-CG1 3.7Å; I26-V186 HydrophobicContact CG1-CG1 3.53Å; I26-V186 HydrophobicContact CG1-CG2 4.28Å; I26-L189 HydrophobicContact CD1-CD1 4.08Å; I26-L189 HydrophobicContact CG2-CD1 4.42Å
27H96.1Very high93.2Very high47 Ų4746.4 Ų46.422%0.21826%0.256CS..EExtended strand (participates in β ladder)trans-110.8128171.1-178.8-89.6000109.3K15 T16 E35 W64K15-H27 VanDerWaalsContact CA-O 3.28Å; K15-H27 WeakPolarHBondContact CA-O 3.21Å; T16-H27 PolarHBondContact N-O 2.93Å; T16-H27 PolarHBondContact O-N 3.36Å; H27-E35 IonicContact CE1-OE1 3.45Å; H27-E35 PolarHBondContact CE1-OE1 2.81Å; H27-E35 IonicContact NE2-OE1 2.93Å; H27-E35 PolarHBondContact NE2-OE1 2.94Å; H27-W64 AromaticContact CD2-CH2 3.9Å; H27-W64 AromaticContact NE2-CH2 3.82Å
28Y96.1Very high93.3Very high0 Ų045.9 Ų45.90%025%0.252CS..EExtended strand (participates in β ladder)trans-110.7129.8178.2-55.3-99.8000108.9L10 S13 Q14 K15 I26 E35 M36 E38 V186L10-Y28 HydrophobicContact CD2-CD1 4.18Å; L10-Y28 HydrophobicContact CD2-CE1 4.06Å; S13-Y28 WeakPolarHBondContact OG-CD1 3.34Å; Q14-Y28 CarbonylContact O-C 3.52Å; Q14-Y28 WeakPolarHBondContact O-CA 3.21Å; K15-Y28 HydrophobicContact CD-CD1 3.89Å; K15-Y28 HydrophobicContact CD-CE1 3.67Å; K15-Y28 HydrophobicContact CG-CD1 3.75Å; K15-Y28 HydrophobicContact CG-CE1 4.06Å; I26-Y28 HydrophobicContact CB-CE2 3.81Å; I26-Y28 HydrophobicContact CG2-CD1 4.4Å; I26-Y28 HydrophobicContact CG2-CD2 3.89Å; I26-Y28 HydrophobicContact CG2-CE1 3.94Å; I26-Y28 HydrophobicContact CG2-CE2 3.36Å; I26-Y28 HydrophobicContact CG2-CG 4.4Å; I26-Y28 VanDerWaalsContact CG2-CZ 3.42Å; Y28-E35 VanDerWaalsContact O-CA 3.25Å; Y28-E35 WeakPolarHBondContact O-CA 3.25Å; Y28-M36 HydrophobicContact CD1-CE 4.34Å; Y28-M36 HydrophobicContact CD2-CB 4.27Å; Y28-M36 HydrophobicContact CD2-CE 3.33Å; Y28-M36 HydrophobicContact CD2-CG 4.38Å; Y28-M36 WeakPolarHBondContact CD2-O 3.37Å; Y28-M36 HydrophobicContact CE1-CE 4.38Å; Y28-M36 HydrophobicContact CE2-CE 3.38Å; Y28-M36 HydrophobicContact CG-CE 3.84Å; Y28-M36 PolarHBondContact N-O 3.07Å; Y28-M36 PolarHBondContact O-N 2.97Å; Y28-E38 HydrophobicContact CE2-CB 4.22Å; Y28-E38 HydrophobicContact CE2-CG 4.01Å; Y28-E38 WeakPolarHBondContact CE2-OE2 3.4Å; Y28-E38 VanDerWaalsContact CZ-OE2 3.26Å; Y28-E38 PolarHBondContact OH-OE2 3.33Å; Y28-V186 WeakPolarHBondContact OH-CG2 3.4Å
29L94.7Very high93.4Very high59 Ų5945 Ų4531%0.30925%0.246SC..EExtended strand (participates in β ladder)trans-112.4114.1167.6175.564.7000108.4Q14 E35Q14-L29 HydrophobicContact CB-CB 4.29Å; Q14-L29 PolarHBondContact N-O 3.31Å; Q14-L29 PolarHBondContact O-N 2.85Å; L29-E35 HydrophobicContact CD1-CG 3.55Å
30F93.2Very high93.4Very high14 Ų1443 Ų436%0.06124%0.235CC..  trans-85.1160.8-179.2-61.8-76.9000111.4W6 V9 L10 D32 G33 K34 M36 W52W6-F30 HydrophobicContact CH2-CE1 4.13Å; W6-F30 AromaticContact CH2-CZ 3.92Å; W6-F30 HydrophobicContact CH2-CZ 3.92Å; W6-F30 HydrophobicContact CZ3-CE1 4.36Å; V9-F30 HydrophobicContact CG1-CD1 3.74Å; V9-F30 HydrophobicContact CG1-CE1 3.88Å; L10-F30 HydrophobicContact CD2-CE1 4.14Å; L10-F30 HydrophobicContact CD2-CZ 4.12Å; F30-D32 VanDerWaalsContact CB-OD1 3.25Å; F30-D32 WeakPolarHBondContact CB-OD1 3.34Å; F30-D32 PolarHBondContact O-N 3.18Å; F30-G33 PolarHBondContact O-N 2.89Å; F30-K34 HydrophobicContact CB-CB 4.5Å; F30-K34 HydrophobicContact CD2-CB 4.08Å; F30-K34 WeakPolarHBondContact CD2-O 3.49Å; F30-K34 PolarHBondContact N-O 2.98Å; F30-M36 HydrophobicContact CE2-CB 3.64Å; F30-M36 HydrophobicContact CZ-CB 4.15Å; F30-M36 HydrophobicContact CZ-CE 4.25Å; F30-W52 AromaticContact CD2-CZ3 3.96Å; F30-W52 HydrophobicContact CD2-CZ3 3.96Å; F30-W52 HydrophobicContact CE2-CE3 4.31Å; F30-W52 AromaticContact CE2-CH2 3.7Å; F30-W52 HydrophobicContact CE2-CH2 3.7Å; F30-W52 AromaticContact CE2-CZ3 3.36Å; F30-W52 HydrophobicContact CE2-CZ3 3.36Å; F30-W52 AromaticContact CZ-CH2 3.91Å; F30-W52 HydrophobicContact CZ-CH2 3.91Å; F30-W52 HydrophobicContact CZ-CZ3 4.06Å
31T90Very high93.6Very high139 Ų13942.2 Ų42.285%0.85323%0.233SC*.THydrogen-bonded Turntrans-64.8-24.3-179.5520000113.4G33T31-G33 PolarHBondContact O-N 3.27Å
32D87Confident93.8Very high89 Ų8939.7 Ų39.748%0.47622%0.219SC..THydrogen-bonded Turntrans-83.64.9174.270.8-11.9000113.2F30 K34F30-D32 VanDerWaalsContact CB-OD1 3.25Å; F30-D32 WeakPolarHBondContact CB-OD1 3.34Å; F30-D32 PolarHBondContact O-N 3.18Å; D32-K34 PolarHBondContact O-N 3.2Å; D32-K34 WeakPolarHBondContact OD1-CB 3.4Å; D32-K34 WeakPolarHBondContact OD1-CG 3.37Å; D32-K34 PolarHBondContact OD1-N 3.5Å; D32-K34 VanDerWaalsContact OD1-N 3.09Å; D32-K34 VanDerWaalsContact OD2-CD 3.26Å; D32-K34 WeakPolarHBondContact OD2-CD 3.37Å; D32-K34 VanDerWaalsContact OD2-CE 3.27Å; D32-K34 WeakPolarHBondContact OD2-CE 3.41Å; D32-K34 IonicContact OD2-NZ 2.74Å; D32-K34 PolarHBondContact OD2-NZ 2.91Å
33G87.9Confident93.9Very high25 Ų2546.8 Ų46.826%0.25824%0.237SC..SBendtrans76.85.1179.900000114.5F30 T31F30-G33 PolarHBondContact O-N 2.89Å; T31-G33 PolarHBondContact O-N 3.27Å
34K92.1Very high93.8Very high71 Ų7146 Ų4631%0.30924%0.237SC..  trans-71153.8167.3-67.1-177.9-171127.10110.1F30 D32 Q54F30-K34 HydrophobicContact CB-CB 4.5Å; F30-K34 HydrophobicContact CD2-CB 4.08Å; F30-K34 WeakPolarHBondContact CD2-O 3.49Å; F30-K34 PolarHBondContact N-O 2.98Å; D32-K34 PolarHBondContact O-N 3.2Å; D32-K34 WeakPolarHBondContact OD1-CB 3.4Å; D32-K34 WeakPolarHBondContact OD1-CG 3.37Å; D32-K34 PolarHBondContact OD1-N 3.5Å; D32-K34 VanDerWaalsContact OD1-N 3.09Å; D32-K34 VanDerWaalsContact OD2-CD 3.26Å; D32-K34 WeakPolarHBondContact OD2-CD 3.37Å; D32-K34 VanDerWaalsContact OD2-CE 3.27Å; D32-K34 WeakPolarHBondContact OD2-CE 3.41Å; D32-K34 IonicContact OD2-NZ 2.74Å; D32-K34 PolarHBondContact OD2-NZ 2.91Å; K34-Q54 VanDerWaalsContact CE-OE1 3.25Å; K34-Q54 HydrophobicContact CG-CB 4.27Å; K34-Q54 HydrophobicContact CG-CG 3.97Å
35E94.9Very high93.7Very high16 Ų1647.1 Ų47.18%0.07525%0.246CC..EExtended strand (participates in β ladder)trans-129138.9177.8-66.3171.198.300109.9H27 Y28 L29 W52 R53 W64H27-E35 IonicContact CE1-OE1 3.45Å; H27-E35 PolarHBondContact CE1-OE1 2.81Å; H27-E35 IonicContact NE2-OE1 2.93Å; H27-E35 PolarHBondContact NE2-OE1 2.94Å; Y28-E35 VanDerWaalsContact O-CA 3.25Å; Y28-E35 WeakPolarHBondContact O-CA 3.25Å; L29-E35 HydrophobicContact CD1-CG 3.55Å; E35-W52 CarbonylContact O-C 3.47Å; E35-W52 WeakPolarHBondContact O-CA 2.85Å; E35-R53 HydrophobicContact CB-CG 3.68Å; E35-R53 VanDerWaalsContact CD-NH2 3.25Å; E35-R53 PolarHBondContact N-O 3.17Å; E35-R53 PolarHBondContact O-N 3.4Å; E35-R53 IonicContact OE1-CZ 3.21Å; E35-R53 IonicContact OE1-NE 3.24Å; E35-R53 PolarHBondContact OE1-NE 3.24Å; E35-R53 IonicContact OE1-NH2 3.25Å; E35-R53 PolarHBondContact OE1-NH2 2.68Å; E35-R53 IonicContact OE2-CZ 2.8Å; E35-R53 VanDerWaalsContact OE2-CZ 3.25Å; E35-R53 IonicContact OE2-NE 3.45Å; E35-R53 PolarHBondContact OE2-NE 2.68Å; E35-R53 IonicContact OE2-NH2 3.1Å; E35-R53 PolarHBondContact OE2-NH2 3.44Å; E35-W64 HydrophobicContact CB-CH2 4.07Å
36M96Very high93.6Very high0 Ų048.5 Ų48.50%025%0.253CS..EExtended strand (participates in β ladder)trans-125.6138.9173.8-179.3179.67500108.4L10 Y28 F30 E38 R50 K51 W52L10-M36 HydrophobicContact CD2-CE 3.64Å; Y28-M36 HydrophobicContact CD1-CE 4.34Å; Y28-M36 HydrophobicContact CD2-CB 4.27Å; Y28-M36 HydrophobicContact CD2-CE 3.33Å; Y28-M36 HydrophobicContact CD2-CG 4.38Å; Y28-M36 WeakPolarHBondContact CD2-O 3.37Å; Y28-M36 HydrophobicContact CE1-CE 4.38Å; Y28-M36 HydrophobicContact CE2-CE 3.38Å; Y28-M36 HydrophobicContact CG-CE 3.84Å; Y28-M36 PolarHBondContact N-O 3.07Å; Y28-M36 PolarHBondContact O-N 2.97Å; F30-M36 HydrophobicContact CE2-CB 3.64Å; F30-M36 HydrophobicContact CZ-CB 4.15Å; F30-M36 HydrophobicContact CZ-CE 4.25Å; M36-E38 HydrophobicContact CE-CG 3.95Å; M36-E38 HydrophobicContact CG-CG 4.27Å; M36-E38 HydrophobicContact SD-CG 4.26Å; M36-R50 HydrophobicContact CG-CG 3.95Å; M36-R50 HydrophobicContact SD-CG 3.92Å; M36-K51 CarbonylContact C-O 3.52Å; M36-K51 VanDerWaalsContact CA-O 3.3Å; M36-K51 WeakPolarHBondContact CA-O 3.43Å; M36-W52 HydrophobicContact CB-CD2 3.97Å; M36-W52 HydrophobicContact CB-CE3 3.82Å; M36-W52 HydrophobicContact CB-CH2 4.08Å; M36-W52 HydrophobicContact CB-CZ2 4.19Å; M36-W52 HydrophobicContact CB-CZ3 3.89Å; M36-W52 HydrophobicContact CG-CD2 4.06Å; M36-W52 HydrophobicContact CG-CE3 4.4Å; M36-W52 HydrophobicContact CG-CH2 4.34Å; M36-W52 HydrophobicContact CG-CZ2 3.96Å; M36-W52 HydrophobicContact SD-CD2 4.44Å; M36-W52 HydrophobicContact SD-CH2 3.8Å; M36-W52 HydrophobicContact SD-CZ2 3.26Å; M36-W52 WeakPolarHBondContact SD-CZ2 3.44Å
37A96.1Very high93.5Very high12 Ų1249.7 Ų49.710%0.09926%0.259CS..EExtended strand (participates in β ladder)trans-123.2131.2169.400000109.7I26 R50 K51 W64I26-A37 CarbonylContact O-C 3.57Å; I26-A37 VanDerWaalsContact O-CA 3.25Å; I26-A37 WeakPolarHBondContact O-CA 3.44Å; A37-R50 WeakPolarHBondContact O-CA 3.16Å; A37-K51 HydrophobicContact CB-CD 4.3Å; A37-K51 VanDerWaalsContact CB-CE 3.5Å; A37-K51 HydrophobicContact CB-CG 3.79Å; A37-K51 PolarHBondContact N-O 3.07Å; A37-K51 PolarHBondContact O-N 3.34Å; A37-W64 HydrophobicContact CB-CH2 3.93Å; A37-W64 HydrophobicContact CB-CZ3 4.04Å
38E96.1Very high93.4Very high1 Ų150.2 Ų50.21%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-119.5141.1177.8-68.6-178.1136.600110.4K25 I26 Y28 M36 Y40 L47 S49 R50K25-E38 CarbonylContact C-O 3.54Å; K25-E38 WeakPolarHBondContact CA-O 3.35Å; I26-E38 PolarHBondContact N-O 2.84Å; I26-E38 PolarHBondContact O-N 3.13Å; Y28-E38 HydrophobicContact CE2-CB 4.22Å; Y28-E38 HydrophobicContact CE2-CG 4.01Å; Y28-E38 WeakPolarHBondContact CE2-OE2 3.4Å; Y28-E38 VanDerWaalsContact CZ-OE2 3.26Å; Y28-E38 PolarHBondContact OH-OE2 3.33Å; M36-E38 HydrophobicContact CE-CG 3.95Å; M36-E38 HydrophobicContact CG-CG 4.27Å; M36-E38 HydrophobicContact SD-CG 4.26Å; E38-Y40 HydrophobicContact CB-CD2 4.35Å; E38-Y40 HydrophobicContact CB-CE2 3.65Å; E38-Y40 VanDerWaalsContact CD-OH 3.27Å; E38-Y40 PolarHBondContact OE2-OH 2.89Å; E38-L47 HydrophobicContact CB-CD1 3.88Å; E38-L47 HydrophobicContact CG-CD1 4.01Å; E38-S49 CarbonylContact C-O 3.58Å; E38-S49 VanDerWaalsContact CA-O 3.31Å; E38-S49 WeakPolarHBondContact CA-O 3.25Å; E38-R50 HydrophobicContact CG-CB 4.23Å; E38-R50 HydrophobicContact CG-CG 3.97Å; E38-R50 IonicContact OE1-CZ 2.72Å; E38-R50 IonicContact OE1-NE 3.82Å; E38-R50 PolarHBondContact OE1-NE 3.21Å; E38-R50 IonicContact OE1-NH2 3.94Å; E38-R50 PolarHBondContact OE1-NH2 3.06Å
39E95.5Very high93.3Very high38 Ų3851.1 Ų51.118%0.17827%0.27CS..EExtended strand (participates in β ladder)trans-118.5128.4170.7-58.5-169.1169.900109.8K23 R24 K25 I48 S49K23-E39 IonicContact NZ-OE2 2.67Å; K23-E39 PolarHBondContact NZ-OE2 3.45Å; R24-E39 CarbonylContact O-C 3.5Å; R24-E39 WeakPolarHBondContact O-CA 3.34Å; K25-E39 HydrophobicContact CG-CG 4.08Å; E39-I48 HydrophobicContact CB-CB 4.37Å; E39-I48 WeakPolarHBondContact O-CB 3.31Å; E39-I48 PolarHBondContact O-N 2.77Å; E39-S49 WeakPolarHBondContact CB-OG 3.27Å; E39-S49 WeakPolarHBondContact CG-OG 3.42Å; E39-S49 PolarHBondContact N-O 2.76Å; E39-S49 PolarHBondContact O-N 2.86Å
40Y95.1Very high93.4Very high18 Ų1848.8 Ų48.87%0.07126%0.256CS..EExtended strand (participates in β ladder)trans-115.7142177-62.9-88.9000110.9K23 R24 I26 E38 E46 L47 V186K23-Y40 CarbonylContact C-O 3.59Å; K23-Y40 VanDerWaalsContact CA-O 3.25Å; K23-Y40 WeakPolarHBondContact CA-O 3.43Å; R24-Y40 PolarHBondContact N-O 2.83Å; R24-Y40 PolarHBondContact O-N 2.87Å; I26-Y40 HydrophobicContact CG1-CE2 4.43Å; E38-Y40 HydrophobicContact CB-CD2 4.35Å; E38-Y40 HydrophobicContact CB-CE2 3.65Å; E38-Y40 VanDerWaalsContact CD-OH 3.27Å; E38-Y40 PolarHBondContact OE2-OH 2.89Å; Y40-E46 WeakPolarHBondContact CA-O 3.1Å; Y40-L47 HydrophobicContact CD1-CB 4.25Å; Y40-L47 HydrophobicContact CD1-CD1 4.22Å; Y40-L47 HydrophobicContact CE1-CB 4.01Å; Y40-L47 HydrophobicContact CE1-CD1 3.76Å; Y40-L47 HydrophobicContact CE1-CG 4.49Å; Y40-L47 HydrophobicContact CE2-CD1 4.31Å; Y40-V186 HydrophobicContact CE2-CG1 4.45Å
41D94.1Very high93.5Very high46 Ų4651 Ų5125%0.24627%0.266CS..EExtended strand (participates in β ladder)trans-71.4127.2169.3-170.7-77.9000110K43 T44 D45 E46 I48D41-K43 VanDerWaalsContact C-N 3.27Å; D41-K43 PolarHBondContact O-N 2.8Å; D41-K43 WeakPolarHBondContact OD1-CA 3.38Å; D41-K43 VanDerWaalsContact OD1-CB 3.31Å; D41-K43 WeakPolarHBondContact OD1-CB 3.44Å; D41-K43 PolarHBondContact OD1-N 2.85Å; D41-T44 WeakPolarHBondContact CB-OG1 3.29Å; D41-T44 PolarHBondContact OD1-N 3.24Å; D41-D45 WeakPolarHBondContact O-CA 3.3Å; D41-D45 PolarHBondContact O-N 3.24Å; D41-E46 PolarHBondContact N-O 2.73Å; D41-I48 HydrophobicContact CB-CD1 3.83Å; D41-I48 HydrophobicContact CB-CG1 4.1Å
42L92.7Very high93.7Very high66 Ų6646.4 Ų46.435%0.34623%0.233SC..THydrogen-bonded Turntrans-69.5-22.8-178.5-72.5174.2000114I19 G22 R24I19-L42 HydrophobicContact CG2-CD1 3.79Å; G22-L42 VanDerWaalsContact C-CD1 3.44Å; G22-L42 VanDerWaalsContact O-CB 3.26Å; G22-L42 WeakPolarHBondContact O-CB 3.48Å; G22-L42 WeakPolarHBondContact O-CD1 3.25Å; G22-L42 WeakPolarHBondContact O-CG 3.43Å; G22-L42 PolarHBondContact O-N 3.42Å; G22-L42 VanDerWaalsContact O-N 3.14Å; R24-L42 HydrophobicContact CB-CD2 3.86Å
43K92.8Very high94Very high196 Ų19644.3 Ų44.385%0.85222%0.219SC*.THydrogen-bonded Turntrans-89-43.2-178.4-60.1-179.3-179.7178.10111.1D41D41-K43 VanDerWaalsContact C-N 3.27Å; D41-K43 PolarHBondContact O-N 2.8Å; D41-K43 WeakPolarHBondContact OD1-CA 3.38Å; D41-K43 VanDerWaalsContact OD1-CB 3.31Å; D41-K43 WeakPolarHBondContact OD1-CB 3.44Å; D41-K43 PolarHBondContact OD1-N 2.85Å
44T93.1Very high94.1Very high49 Ų4948.7 Ų48.730%0.30123%0.232SC..THydrogen-bonded Turntrans-97.8-14.8-173.871.70000113.9D41 E46 K98D41-T44 WeakPolarHBondContact CB-OG1 3.29Å; D41-T44 PolarHBondContact OD1-N 3.24Å; T44-E46 PolarHBondContact O-N 2.91Å; T44-E46 WeakPolarHBondContact OG1-CB 3.18Å; T44-E46 WeakPolarHBondContact OG1-CG 3.46Å; T44-E46 PolarHBondContact OG1-N 2.85Å; T44-E46 PolarHBondContact OG1-OE2 2.9Å; T44-K98 WeakPolarHBondContact O-CE 3.43Å; T44-K98 PolarHBondContact O-NZ 2.91Å
45D92.2Very high93.7Very high54 Ų5450.3 Ų50.329%0.28924%0.239SC..  trans5914.8-169.2-65.4-54.6000114D41 L183 K187D41-D45 WeakPolarHBondContact O-CA 3.3Å; D41-D45 PolarHBondContact O-N 3.24Å; D45-L183 HydrophobicContact CB-CD1 4.04Å; D45-L183 HydrophobicContact CB-CD2 3.62Å; D45-L183 HydrophobicContact CB-CG 4.46Å; D45-K187 WeakPolarHBondContact OD1-CE 3.49Å; D45-K187 IonicContact OD1-NZ 3.72Å; D45-K187 PolarHBondContact OD1-NZ 2.78Å; D45-K187 IonicContact OD2-NZ 3.23Å; D45-K187 PolarHBondContact OD2-NZ 2.84Å
46E92.6Very high92.9Very high75 Ų7552.2 Ų52.235%0.3525%0.254SS..  trans-78141.6179.9-67.3179.2142.900111.2Y40 D41 T44 I48 K98Y40-E46 WeakPolarHBondContact CA-O 3.1Å; D41-E46 PolarHBondContact N-O 2.73Å; T44-E46 PolarHBondContact O-N 2.91Å; T44-E46 WeakPolarHBondContact OG1-CB 3.18Å; T44-E46 WeakPolarHBondContact OG1-CG 3.46Å; T44-E46 PolarHBondContact OG1-N 2.85Å; T44-E46 PolarHBondContact OG1-OE2 2.9Å; E46-I48 PolarHBondContact O-N 2.85Å; E46-K98 HydrophobicContact CG-CD 4.49Å; E46-K98 HydrophobicContact CG-CG 3.95Å
47L94.8Very high92Very high28 Ų2859.5 Ų59.515%0.14730%0.299CS..EExtended strand (participates in β ladder)trans-69110.7171.2-178.669.2000109E38 Y40 S49 R50 V68E38-L47 HydrophobicContact CB-CD1 3.88Å; E38-L47 HydrophobicContact CG-CD1 4.01Å; Y40-L47 HydrophobicContact CD1-CB 4.25Å; Y40-L47 HydrophobicContact CD1-CD1 4.22Å; Y40-L47 HydrophobicContact CE1-CB 4.01Å; Y40-L47 HydrophobicContact CE1-CD1 3.76Å; Y40-L47 HydrophobicContact CE1-CG 4.49Å; Y40-L47 HydrophobicContact CE2-CD1 4.31Å; L47-S49 VanDerWaalsContact CD1-O 3.3Å; L47-S49 WeakPolarHBondContact CD1-O 3.18Å; L47-R50 HydrophobicContact CD2-CB 4.24Å; L47-V68 HydrophobicContact CD2-CB 4.28Å; L47-V68 HydrophobicContact CD2-CG1 4.2Å; L47-V68 HydrophobicContact CD2-CG2 4.16Å; L47-V68 HydrophobicContact CG-CG1 4.47Å
48I94.3Very high91.2Very high58 Ų5866.5 Ų66.530%0.29733%0.334SS..EExtended strand (participates in β ladder)trans-80.5-47.3178.2-60.3172.5000109.8K23 E39 D41 E46 G69K23-I48 HydrophobicContact CD-CD1 3.93Å; K23-I48 HydrophobicContact CG-CD1 3.89Å; E39-I48 HydrophobicContact CB-CB 4.37Å; E39-I48 WeakPolarHBondContact O-CB 3.31Å; E39-I48 PolarHBondContact O-N 2.77Å; D41-I48 HydrophobicContact CB-CD1 3.83Å; D41-I48 HydrophobicContact CB-CG1 4.1Å; E46-I48 PolarHBondContact O-N 2.85Å; I48-G69 VanDerWaalsContact O-CA 3.29Å; I48-G69 WeakPolarHBondContact O-CA 3.22Å
49S95.1Very high90.2Very high20 Ų2068.9 Ų68.914%0.1436%0.358CS..EExtended strand (participates in β ladder)trans-147.3149.7179.771.20000112.6E38 E39 L47 V68E38-S49 CarbonylContact C-O 3.58Å; E38-S49 VanDerWaalsContact CA-O 3.31Å; E38-S49 WeakPolarHBondContact CA-O 3.25Å; E39-S49 WeakPolarHBondContact CB-OG 3.27Å; E39-S49 WeakPolarHBondContact CG-OG 3.42Å; E39-S49 PolarHBondContact N-O 2.76Å; E39-S49 PolarHBondContact O-N 2.86Å; L47-S49 VanDerWaalsContact CD1-O 3.3Å; L47-S49 WeakPolarHBondContact CD1-O 3.18Å; S49-V68 CarbonylContact C-O 3.58Å; S49-V68 WeakPolarHBondContact CA-O 3.5Å; S49-V68 WeakPolarHBondContact CB-O 3.36Å
50R96.3Very high89.6Confident9 Ų971.6 Ų71.63%0.03438%0.378CS..EExtended strand (participates in β ladder)trans-136.6126.8169180-174.6-69.8158.1-2.9108.1M36 A37 E38 L47 E67 V68 D143M36-R50 HydrophobicContact CG-CG 3.95Å; M36-R50 HydrophobicContact SD-CG 3.92Å; A37-R50 WeakPolarHBondContact O-CA 3.16Å; E38-R50 HydrophobicContact CG-CB 4.23Å; E38-R50 HydrophobicContact CG-CG 3.97Å; E38-R50 IonicContact OE1-CZ 2.72Å; E38-R50 IonicContact OE1-NE 3.82Å; E38-R50 PolarHBondContact OE1-NE 3.21Å; E38-R50 IonicContact OE1-NH2 3.94Å; E38-R50 PolarHBondContact OE1-NH2 3.06Å; L47-R50 HydrophobicContact CD2-CB 4.24Å; R50-E67 VanDerWaalsContact CD-OE1 3.24Å; R50-E67 WeakPolarHBondContact CD-OE1 3.5Å; R50-E67 IonicContact CZ-OE1 2.66Å; R50-E67 IonicContact NH1-OE1 3.98Å; R50-E67 PolarHBondContact NH1-OE1 3.1Å; R50-E67 PolarHBondContact O-N 2.74Å; R50-V68 HydrophobicContact CB-CB 3.96Å; R50-V68 HydrophobicContact CB-CG2 4.05Å; R50-V68 PolarHBondContact N-O 3Å; R50-V68 PolarHBondContact O-N 2.66Å; R50-V68 VanDerWaalsContact O-N 3.09Å; R50-D143 IonicContact CZ-OD1 2.74Å; R50-D143 IonicContact NH1-OD1 3.47Å; R50-D143 PolarHBondContact NH1-OD1 3.24Å; R50-D143 IonicContact NH1-OD2 2.66Å; R50-D143 IonicContact NH2-OD1 3.18Å
51K95.4Very high88.8Confident61 Ų6176.6 Ų76.627%0.26540%0.401SS..EExtended strand (participates in β ladder)trans-130.5151.5177.158.3179.5-177.4-174.50111.1M36 A37 W64 Q65 V66M36-K51 CarbonylContact C-O 3.52Å; M36-K51 VanDerWaalsContact CA-O 3.3Å; M36-K51 WeakPolarHBondContact CA-O 3.43Å; A37-K51 HydrophobicContact CB-CD 4.3Å; A37-K51 VanDerWaalsContact CB-CE 3.5Å; A37-K51 HydrophobicContact CB-CG 3.79Å; A37-K51 PolarHBondContact N-O 3.07Å; A37-K51 PolarHBondContact O-N 3.34Å; K51-W64 HydrophobicContact CB-CE3 3.89Å; K51-W64 HydrophobicContact CD-CB 4.13Å; K51-W64 HydrophobicContact CD-CD2 3.76Å; K51-W64 HydrophobicContact CD-CE3 3.72Å; K51-W64 HydrophobicContact CD-CG 3.97Å; K51-W64 HydrophobicContact CD-CZ3 4.37Å; K51-W64 HydrophobicContact CG-CD2 4.09Å; K51-W64 HydrophobicContact CG-CE3 3.49Å; K51-W64 VanDerWaalsContact CG-CE3 3.49Å; K51-W64 HydrophobicContact CG-CZ3 3.89Å; K51-Q65 CarbonylContact C-O 3.55Å; K51-Q65 WeakPolarHBondContact CA-O 3.41Å; K51-V66 HydrophobicContact CB-CG2 4.41Å
52W94.6Very high88.3Confident43 Ų4375.7 Ų75.716%0.16340%0.403CS..EExtended strand (participates in β ladder)trans-124.7144.4-178.5-70.991000110.7W6 F30 E35 M36 W64 Q65 E67 R146W6-W52 AromaticContact CH2-CH2 3.7Å; W6-W52 HydrophobicContact CH2-CH2 3.7Å; W6-W52 HydrophobicContact CH2-CZ2 4.1Å; W6-W52 HydrophobicContact CZ2-CH2 4.46Å; W6-W52 HydrophobicContact CZ2-CZ2 4.45Å; W6-W52 HydrophobicContact CZ3-CH2 4.47Å; F30-W52 AromaticContact CD2-CZ3 3.96Å; F30-W52 HydrophobicContact CD2-CZ3 3.96Å; F30-W52 HydrophobicContact CE2-CE3 4.31Å; F30-W52 AromaticContact CE2-CH2 3.7Å; F30-W52 HydrophobicContact CE2-CH2 3.7Å; F30-W52 AromaticContact CE2-CZ3 3.36Å; F30-W52 HydrophobicContact CE2-CZ3 3.36Å; F30-W52 AromaticContact CZ-CH2 3.91Å; F30-W52 HydrophobicContact CZ-CH2 3.91Å; F30-W52 HydrophobicContact CZ-CZ3 4.06Å; E35-W52 CarbonylContact O-C 3.47Å; E35-W52 WeakPolarHBondContact O-CA 2.85Å; M36-W52 HydrophobicContact CB-CD2 3.97Å; M36-W52 HydrophobicContact CB-CE3 3.82Å; M36-W52 HydrophobicContact CB-CH2 4.08Å; M36-W52 HydrophobicContact CB-CZ2 4.19Å; M36-W52 HydrophobicContact CB-CZ3 3.89Å; M36-W52 HydrophobicContact CG-CD2 4.06Å; M36-W52 HydrophobicContact CG-CE3 4.4Å; M36-W52 HydrophobicContact CG-CH2 4.34Å; M36-W52 HydrophobicContact CG-CZ2 3.96Å; M36-W52 HydrophobicContact SD-CD2 4.44Å; M36-W52 HydrophobicContact SD-CH2 3.8Å; M36-W52 HydrophobicContact SD-CZ2 3.26Å; M36-W52 WeakPolarHBondContact SD-CZ2 3.44Å; W52-W64 VanDerWaalsContact C-CE3 3.44Å; W52-W64 CarbonylContact O-C 3.57Å; W52-W64 WeakPolarHBondContact O-CA 3.37Å; W52-Q65 PolarHBondContact N-O 2.72Å; W52-Q65 PolarHBondContact O-N 3.12Å; W52-E67 PolarHBondContact NE1-OE2 2.85Å; W52-R146 VanDerWaalsContact CZ2-NH2 3.31Å
53R92.4Very high88Confident45 Ų4578 Ų7817%0.1742%0.42CS..EExtended strand (participates in β ladder)trans-137.6155.3164.169174.8177.3-171.8-0.6109.8E35 W64E35-R53 HydrophobicContact CB-CG 3.68Å; E35-R53 VanDerWaalsContact CD-NH2 3.25Å; E35-R53 PolarHBondContact N-O 3.17Å; E35-R53 PolarHBondContact O-N 3.4Å; E35-R53 IonicContact OE1-CZ 3.21Å; E35-R53 IonicContact OE1-NE 3.24Å; E35-R53 PolarHBondContact OE1-NE 3.24Å; E35-R53 IonicContact OE1-NH2 3.25Å; E35-R53 PolarHBondContact OE1-NH2 2.68Å; E35-R53 IonicContact OE2-CZ 2.8Å; E35-R53 VanDerWaalsContact OE2-CZ 3.25Å; E35-R53 IonicContact OE2-NE 3.45Å; E35-R53 PolarHBondContact OE2-NE 2.68Å; E35-R53 IonicContact OE2-NH2 3.1Å; E35-R53 PolarHBondContact OE2-NH2 3.44Å; R53-W64 HydrophobicContact CB-CD2 3.94Å; R53-W64 HydrophobicContact CB-CE3 3.79Å; R53-W64 HydrophobicContact CB-CG 4.46Å; R53-W64 HydrophobicContact CB-CZ3 4.09Å; R53-W64 VanDerWaalsContact CD-CE2 3.44Å; R53-W64 VanDerWaalsContact CD-CZ2 3.42Å; R53-W64 HydrophobicContact CG-CD2 4Å; R53-W64 HydrophobicContact CG-CE3 3.86Å; R53-W64 HydrophobicContact CG-CH2 3.69Å; R53-W64 HydrophobicContact CG-CZ2 3.84Å; R53-W64 HydrophobicContact CG-CZ3 3.71Å; R53-W64 VanDerWaalsContact NE-CZ2 3.26Å
54Q89.5Confident87.9Confident116 Ų11672.1 Ų72.154%0.54239%0.392SS..  trans-137.3141.8175.8-176.3176.6-24.200108.3K34 G62K34-Q54 VanDerWaalsContact CE-OE1 3.25Å; K34-Q54 HydrophobicContact CG-CB 4.27Å; K34-Q54 HydrophobicContact CG-CG 3.97Å; Q54-G62 WeakPolarHBondContact O-CA 3.25Å; Q54-G62 PolarHBondContact O-N 3.37Å; Q54-G62 VanDerWaalsContact O-N 3.08Å
55K83.9Confident87.9Confident106 Ų10676 Ų7646%0.46141%0.407SS..BIsolated β-bridgetrans-67139.7171.5-66.2-178.2-178.2177.80110V60K55-V60 CarbonylContact C-O 3.59Å; K55-V60 WeakPolarHBondContact CA-O 3.28Å
56S78.6Confident87.9Confident55 Ų5576.3 Ų76.339%0.38541%0.411SS..  trans-67164.9172.475.40000110.5L58 G59 V60S56-L58 PolarHBondContact O-N 3.49Å; S56-L58 PolarHBondContact OG-N 2.93Å; S56-G59 PolarHBondContact O-N 3.23Å; S56-V60 PolarHBondContact N-O 2.98Å; S56-V60 PolarHBondContact OG-N 3.08Å; S56-V60 PolarHBondContact OG-O 3.43Å
57T76.2Confident88.1Confident153 Ų15374.5 Ų74.594%0.93940%0.402SS*.THydrogen-bonded Turntrans-55.7-25.3175.1-41.40000112.7G59T57-G59 VanDerWaalsContact C-N 3.34Å
58L79.8Confident88.1Confident160 Ų16073.2 Ų73.284%0.83840%0.396SS*.THydrogen-bonded Turntrans-91.69.2177.9-58.5177.2000113.2S56 V60S56-L58 PolarHBondContact O-N 3.49Å; S56-L58 PolarHBondContact OG-N 2.93Å; L58-V60 VanDerWaalsContact C-N 3.29Å; L58-V60 PolarHBondContact O-N 3.01Å
59G75.2Confident88.1Confident50 Ų5070.9 Ų70.952%0.51539%0.386SS..SBendtrans81.3-1.7176.600000115.5S56 T57S56-G59 PolarHBondContact O-N 3.23Å; T57-G59 VanDerWaalsContact C-N 3.34Å
60V82.6Confident87.5Confident96 Ų9676.1 Ų76.158%0.58241%0.409SS*.PPolyproline II helixtrans-70.5136.9177.3-176.90000109.7K55 S56 L58 G62K55-V60 CarbonylContact C-O 3.59Å; K55-V60 WeakPolarHBondContact CA-O 3.28Å; S56-V60 PolarHBondContact N-O 2.98Å; S56-V60 PolarHBondContact OG-N 3.08Å; S56-V60 PolarHBondContact OG-O 3.43Å; L58-V60 VanDerWaalsContact C-N 3.29Å; L58-V60 PolarHBondContact O-N 3.01Å; V60-G62 PolarHBondContact O-N 3.18Å
61Q79.1Confident86.4Confident122 Ų12279 Ų7957%0.5743%0.428SS*.BIsolated β-bridgetrans-63.5127.2175.5-67-170.315.300110.6
62G82.6Confident84.7Confident27 Ų2782.1 Ų82.128%0.27845%0.452SS..PPolyproline II helixtrans-73.6162.8175.200000113Q54 V60Q54-G62 WeakPolarHBondContact O-CA 3.25Å; Q54-G62 PolarHBondContact O-N 3.37Å; Q54-G62 VanDerWaalsContact O-N 3.08Å; V60-G62 PolarHBondContact O-N 3.18Å
63V87.9Confident82.6Confident116 Ų11686.6 Ų86.670%0.70348%0.479SS*.PPolyproline II helixtrans-71.3140.6175.4-176.90000109.9Q65V63-Q65 PolarHBondContact O-N 3.04Å
64W90.9Very high80.3Confident72 Ų7290.4 Ų90.427%0.27351%0.507SS..PPolyproline II helixtrans-64.1122.8172.4-73.6105.8000111H27 E35 A37 K51 W52 R53H27-W64 AromaticContact CD2-CH2 3.9Å; H27-W64 AromaticContact NE2-CH2 3.82Å; E35-W64 HydrophobicContact CB-CH2 4.07Å; A37-W64 HydrophobicContact CB-CH2 3.93Å; A37-W64 HydrophobicContact CB-CZ3 4.04Å; K51-W64 HydrophobicContact CB-CE3 3.89Å; K51-W64 HydrophobicContact CD-CB 4.13Å; K51-W64 HydrophobicContact CD-CD2 3.76Å; K51-W64 HydrophobicContact CD-CE3 3.72Å; K51-W64 HydrophobicContact CD-CG 3.97Å; K51-W64 HydrophobicContact CD-CZ3 4.37Å; K51-W64 HydrophobicContact CG-CD2 4.09Å; K51-W64 HydrophobicContact CG-CE3 3.49Å; K51-W64 VanDerWaalsContact CG-CE3 3.49Å; K51-W64 HydrophobicContact CG-CZ3 3.89Å; W52-W64 VanDerWaalsContact C-CE3 3.44Å; W52-W64 CarbonylContact O-C 3.57Å; W52-W64 WeakPolarHBondContact O-CA 3.37Å; R53-W64 HydrophobicContact CB-CD2 3.94Å; R53-W64 HydrophobicContact CB-CE3 3.79Å; R53-W64 HydrophobicContact CB-CG 4.46Å; R53-W64 HydrophobicContact CB-CZ3 4.09Å; R53-W64 VanDerWaalsContact CD-CE2 3.44Å; R53-W64 VanDerWaalsContact CD-CZ2 3.42Å; R53-W64 HydrophobicContact CG-CD2 4Å; R53-W64 HydrophobicContact CG-CE3 3.86Å; R53-W64 HydrophobicContact CG-CH2 3.69Å; R53-W64 HydrophobicContact CG-CZ2 3.84Å; R53-W64 HydrophobicContact CG-CZ3 3.71Å; R53-W64 VanDerWaalsContact NE-CZ2 3.26Å
65Q91.8Very high78Confident129 Ų12989.8 Ų89.860%0.60351%0.513SS*.EExtended strand (participates in β ladder)trans-103.5125.5174.1-62.1-63-13.200109.5K51 W52 V63K51-Q65 CarbonylContact C-O 3.55Å; K51-Q65 WeakPolarHBondContact CA-O 3.41Å; W52-Q65 PolarHBondContact N-O 2.72Å; W52-Q65 PolarHBondContact O-N 3.12Å; V63-Q65 PolarHBondContact O-N 3.04Å
66V93.5Very high76Confident61 Ų6188.6 Ų88.637%0.3752%0.523SS..EExtended strand (participates in β ladder)trans-82.9124.1-179.5178.90000109.9K51 V68K51-V66 HydrophobicContact CB-CG2 4.41Å; V66-V68 WeakPolarHBondContact CG1-O 3.25Å
67E95.1Very high74.3Confident37 Ų3790.3 Ų90.317%0.17354%0.54CS..EExtended strand (participates in β ladder)trans-97-43.1174.1178.5178.5118.900111.6R50 W52 R94 R146R50-E67 VanDerWaalsContact CD-OE1 3.24Å; R50-E67 WeakPolarHBondContact CD-OE1 3.5Å; R50-E67 IonicContact CZ-OE1 2.66Å; R50-E67 IonicContact NH1-OE1 3.98Å; R50-E67 PolarHBondContact NH1-OE1 3.1Å; R50-E67 PolarHBondContact O-N 2.74Å; W52-E67 PolarHBondContact NE1-OE2 2.85Å; E67-R94 WeakPolarHBondContact O-CB 3.39Å; E67-R94 IonicContact OE1-NH1 2.75Å; E67-R146 IonicContact OE1-CZ 2.74Å; E67-R146 IonicContact OE1-NH1 2.83Å; E67-R146 PolarHBondContact OE1-NH1 2.88Å; E67-R146 IonicContact OE1-NH2 3.32Å; E67-R146 IonicContact OE2-CZ 3.63Å; E67-R146 IonicContact OE2-NH1 2.82Å; E67-R146 PolarHBondContact OE2-NH1 2.87Å; E67-R146 IonicContact OE2-NH2 3.53Å; E67-R146 PolarHBondContact OE2-NH2 3.24Å
68V96Very high72.8Confident1 Ų190.4 Ų90.41%0.00654%0.535CS..EExtended strand (participates in β ladder)trans-129.4142.2178.5-174.10000108.6L47 S49 R50 V66 R94L47-V68 HydrophobicContact CD2-CB 4.28Å; L47-V68 HydrophobicContact CD2-CG1 4.2Å; L47-V68 HydrophobicContact CD2-CG2 4.16Å; L47-V68 HydrophobicContact CG-CG1 4.47Å; S49-V68 CarbonylContact C-O 3.58Å; S49-V68 WeakPolarHBondContact CA-O 3.5Å; S49-V68 WeakPolarHBondContact CB-O 3.36Å; R50-V68 HydrophobicContact CB-CB 3.96Å; R50-V68 HydrophobicContact CB-CG2 4.05Å; R50-V68 PolarHBondContact N-O 3Å; R50-V68 PolarHBondContact O-N 2.66Å; R50-V68 VanDerWaalsContact O-N 3.09Å; V66-V68 WeakPolarHBondContact CG1-O 3.25Å; V68-R94 HydrophobicContact CG2-CG 4.37Å
69G92.9Very high71.2Confident10 Ų1088.2 Ų88.210%0.10352%0.524CS..BIsolated β-bridgetrans96.5-175.4179.600000112.6I48 R94I48-G69 VanDerWaalsContact O-CA 3.29Å; I48-G69 WeakPolarHBondContact O-CA 3.22Å; G69-R94 PolarHBondContact N-O 3.2Å
70E83.4Confident70.2Confident130 Ų13091.5 Ų91.561%0.60754%0.539SS*.  trans-82.8140.5175.3-61.1-163.7158.600110V72 L93E70-V72 PolarHBondContact O-N 2.83Å; E70-L93 HydrophobicContact CG-CD2 4.36Å
71P72.4Confident68.9Low68 Ų6894.4 Ų94.444%0.44255%0.551SS.*  trans-57.4129.616626.5-31.8000107.8N73 L93P71-N73 VanDerWaalsContact C-N 3.33Å; P71-N73 PolarHBondContact O-N 2.75Å; P71-L93 VanDerWaalsContact CD-CD2 3.47Å; P71-L93 HydrophobicContact CG-CD2 4.5Å
72V59.4Low68.3Low127 Ų12793.5 Ų93.577%0.7755%0.553SS**  trans-62.1104.2170.4-179.80000105.7E70 V74E70-V72 PolarHBondContact O-N 2.83Å; V72-V74 VanDerWaalsContact C-N 3.25Å; V72-V74 PolarHBondContact O-N 2.74Å
73N51.8Low67.8Low137 Ų137100.2 Ų100.273%0.73358%0.581SS**  trans-61.299.8165.4-77.7-40.4000105.1P71 P75P71-N73 VanDerWaalsContact C-N 3.33Å; P71-N73 PolarHBondContact O-N 2.75Å; N73-P75 WeakPolarHBondContact O-CD 3.23Å; N73-P75 VanDerWaalsContact O-N 3.12Å
74V44.2Very low67.1Low126 Ų126103.2 Ų103.276%0.76459%0.585SS**  trans-51123.4161.7-137.40000104.7V72 A76V72-V74 VanDerWaalsContact C-N 3.25Å; V72-V74 PolarHBondContact O-N 2.74Å; V74-A76 PolarHBondContact O-N 2.92Å
75P40.1Very low66.1Low103 Ų103107.5 Ų107.567%0.66961%0.608SS**  trans-53.6120.3-176.2-24.231.5000108.6N73 A77N73-P75 WeakPolarHBondContact O-CD 3.23Å; N73-P75 VanDerWaalsContact O-N 3.12Å; P75-A77 HydrophobicContact CB-CB 4.18Å; P75-A77 PolarHBondContact O-N 2.77Å
76A43.2Very low65.5Low80 Ų80106 Ų10666%0.66160%0.604SS**G310 helixtrans-63.712.217100000112.7V74 L78V74-A76 PolarHBondContact O-N 2.92Å; A76-L78 VanDerWaalsContact C-N 3.26Å; A76-L78 PolarHBondContact O-N 3.06Å
77A43.1Very low64.8Low91 Ų91107.9 Ų107.975%0.75262%0.619SS**G310 helixtrans-77.3-6.2-17500000113.7P75P75-A77 HydrophobicContact CB-CB 4.18Å; P75-A77 PolarHBondContact O-N 2.77Å
78L44.6Very low64.3Low156 Ų156110 Ų11082%0.81764%0.638SS**G310 helixtrans-103.7-11.2177.8-84.4161.4000114.9A76A76-L78 VanDerWaalsContact C-N 3.26Å; A76-L78 PolarHBondContact O-N 3.06Å
79N45.4Very low63.9Low113 Ų113113.5 Ų113.560%0.60466%0.656SS**  trans-151.495.3174.9-70-58.8000110.3D81 V82N79-D81 PolarHBondContact O-N 2.88Å; N79-V82 HydrophobicContact CB-CG2 3.69Å
80S54.9Low63.8Low119 Ų119115.8 Ų115.883%0.83267%0.67SS**THydrogen-bonded Turntrans-68-4174.5490000114.2
81D55.1Low64.3Low158 Ų158112 Ų11285%0.84566%0.655SS**THydrogen-bonded Turntrans-99.414.2-178.1-70.9-29000114.2N79N79-D81 PolarHBondContact O-N 2.88Å
82V66.2Low65.3Low102 Ų102111.7 Ų111.762%0.61865%0.647SS**SBendtrans-89.2125.4-180-173.60000110.6N79 K84N79-V82 HydrophobicContact CB-CG2 3.69Å; V82-K84 PolarHBondContact O-N 3.09Å
83I72.9Confident66.9Low168 Ų168106.6 Ų106.686%0.86262%0.615SS**  trans-52.9121170-61.6171.1000108.6
84K72.4Confident69Low179 Ų179100.5 Ų100.578%0.77858%0.582SS**  trans-115.2143.1-178.4-172.9-179175.61790110.4V82V82-K84 PolarHBondContact O-N 3.09Å
85E69.8Low71.4Confident162 Ų162100.4 Ų100.476%0.75757%0.571SS**  trans-58.9142.6171.4-63.4-173.8156.600111.3C87E85-C87 PolarHBondContact O-N 2.63Å
86N78.3Confident74Confident97 Ų9796.1 Ų96.152%0.51954%0.543SS..  trans-58.7129.3175.4-177.5-10.1000109.4S88 N89N86-S88 PolarHBondContact O-N 3.18Å; N86-S88 WeakPolarHBondContact OD1-CB 3.26Å; N86-S88 PolarHBondContact OD1-N 3.14Å; N86-N89 PolarHBondContact N-ND2 2.82Å; N86-N89 VanDerWaalsContact O-CB 3.28Å; N86-N89 WeakPolarHBondContact O-CB 3.42Å; N86-N89 PolarHBondContact O-N 3.41Å
87C79.1Confident76.5Confident102 Ų10294.1 Ų94.169%0.68952%0.522SS*.THydrogen-bonded Turntrans-63.1-13.5178.262.60000113.7E85 N107E85-C87 PolarHBondContact O-N 2.63Å; C87-N107 PolarHBondContact O-ND2 3.35Å
88S84.1Confident78.9Confident82 Ų8295.6 Ų95.657%0.57351%0.512SS*.THydrogen-bonded Turntrans-86.2-6.1172.3-60.40000113.9N86N86-S88 PolarHBondContact O-N 3.18Å; N86-S88 WeakPolarHBondContact OD1-CB 3.26Å; N86-S88 PolarHBondContact OD1-N 3.14Å
89N87.8Confident81.3Confident73 Ų7391.6 Ų91.639%0.3949%0.494SS..SBendtrans-69.3145.4175.6-72.3-23.2000110.8N86 V91 N107N86-N89 PolarHBondContact N-ND2 2.82Å; N86-N89 VanDerWaalsContact O-CB 3.28Å; N86-N89 WeakPolarHBondContact O-CB 3.42Å; N86-N89 PolarHBondContact O-N 3.41Å; N89-V91 PolarHBondContact O-N 3.31Å; N89-N107 WeakPolarHBondContact O-CB 3.25Å; N89-N107 PolarHBondContact O-ND2 2.87Å
90P92.4Very high83.8Confident59 Ų5986.8 Ų86.838%0.38347%0.469SS..  trans-59.4127.4176.3-26.235.6000112.5I105 R106 L108 Y135P90-I105 HydrophobicContact CB-CG2 4.19Å; P90-R106 VanDerWaalsContact CA-O 3.32Å; P90-R106 WeakPolarHBondContact CA-O 3.34Å; P90-L108 HydrophobicContact CB-CD2 4.05Å; P90-L108 HydrophobicContact CB-CG 4.5Å; P90-L108 HydrophobicContact CG-CD2 3.87Å; P90-Y135 HydrophobicContact CB-CD2 3.96Å; P90-Y135 HydrophobicContact CB-CE2 3.6Å; P90-Y135 HydrophobicContact CG-CD2 3.94Å; P90-Y135 HydrophobicContact CG-CE2 4.09Å
91V92.1Very high85.8Confident50 Ų5081.1 Ų81.130%0.30343%0.43SS..EExtended strand (participates in β ladder)trans-110.4115.1179.7-176.20000109.6N89 L93 I105 R106N89-V91 PolarHBondContact O-N 3.31Å; V91-L93 HydrophobicContact CG1-CD1 3.74Å; V91-L93 HydrophobicContact CG1-CG 4Å; V91-I105 VanDerWaalsContact O-CA 3.3Å; V91-I105 WeakPolarHBondContact O-CA 3.35Å; V91-R106 HydrophobicContact CB-CB 4.47Å; V91-R106 PolarHBondContact N-O 3.24Å; V91-R106 PolarHBondContact O-N 3.45Å
92F93.9Very high87.8Confident62 Ų6275 Ų7527%0.27240%0.396SS..EExtended strand (participates in β ladder)trans-93.8121.4179.3-179.7-88.5000110.8W103 I105 K137 F139F92-W103 AromaticContact CE1-CD1 3.66Å; F92-W103 HydrophobicContact CE2-CB 3.92Å; F92-W103 AromaticContact CE2-CD1 3.99Å; F92-W103 HydrophobicContact CE2-CG 4.16Å; F92-W103 HydrophobicContact CZ-CB 4.01Å; F92-W103 AromaticContact CZ-CD1 3.18Å; F92-W103 AromaticContact CZ-CG 3.76Å; F92-W103 HydrophobicContact CZ-CG 3.76Å; F92-W103 AromaticContact CZ-NE1 3.95Å; F92-I105 HydrophobicContact CD2-CD1 4.13Å; F92-I105 HydrophobicContact CD2-CG1 3.59Å; F92-I105 HydrophobicContact CE2-CD1 4.33Å; F92-I105 HydrophobicContact CE2-CG1 4.27Å; F92-I105 HydrophobicContact CG-CG1 4.49Å; F92-K137 HydrophobicContact CD2-CD 4.42Å; F92-K137 HydrophobicContact CD2-CG 4.04Å; F92-K137 HydrophobicContact CE2-CG 4.09Å; F92-F139 AromaticContact CE2-CD1 3.84Å; F92-F139 HydrophobicContact CE2-CD1 3.84Å; F92-F139 AromaticContact CE2-CE1 3.89Å; F92-F139 HydrophobicContact CE2-CE1 3.89Å; F92-F139 HydrophobicContact CE2-CG 4.16Å; F92-F139 HydrophobicContact CE2-CZ 4.26Å; F92-F139 HydrophobicContact CZ-CB 4.22Å; F92-F139 AromaticContact CZ-CD1 3.92Å; F92-F139 HydrophobicContact CZ-CD1 3.92Å; F92-F139 AromaticContact CZ-CD2 3.91Å; F92-F139 HydrophobicContact CZ-CD2 3.91Å; F92-F139 HydrophobicContact CZ-CE1 4.24Å; F92-F139 HydrophobicContact CZ-CE2 4.25Å; F92-F139 AromaticContact CZ-CG 3.74Å; F92-F139 HydrophobicContact CZ-CG 3.74Å; F92-F139 HydrophobicContact CZ-CZ 4.39Å
93L94.1Very high89.3Confident19 Ų1970.5 Ų70.510%0.09937%0.368CS..EExtended strand (participates in β ladder)trans-134.2145.4-177.4-66.9143.2000109.8E70 P71 V91 W103 R104E70-L93 HydrophobicContact CG-CD2 4.36Å; P71-L93 VanDerWaalsContact CD-CD2 3.47Å; P71-L93 HydrophobicContact CG-CD2 4.5Å; V91-L93 HydrophobicContact CG1-CD1 3.74Å; V91-L93 HydrophobicContact CG1-CG 4Å; L93-W103 CarbonylContact O-C 3.58Å; L93-W103 VanDerWaalsContact O-CA 3.24Å; L93-W103 WeakPolarHBondContact O-CA 3.2Å; L93-R104 PolarHBondContact N-O 2.83Å; L93-R104 PolarHBondContact O-N 3.33Å
94R96.1Very high90.4Very high9 Ų966.8 Ų66.83%0.03434%0.343CS..EExtended strand (participates in β ladder)trans-105.7127.3169.2-177.4176.6167.8-176-4.2109.6E67 V68 G69 D96 F101 Q102 D143E67-R94 WeakPolarHBondContact O-CB 3.39Å; E67-R94 IonicContact OE1-NH1 2.75Å; V68-R94 HydrophobicContact CG2-CG 4.37Å; G69-R94 PolarHBondContact N-O 3.2Å; R94-D96 WeakPolarHBondContact CG-OD1 3.47Å; R94-D96 IonicContact CZ-OD1 3.93Å; R94-D96 IonicContact CZ-OD2 3.16Å; R94-D96 IonicContact NE-OD1 3.93Å; R94-D96 PolarHBondContact NE-OD1 2.89Å; R94-D96 IonicContact NE-OD2 2.75Å; R94-D96 PolarHBondContact NE-OD2 3.29Å; R94-D96 IonicContact NH2-OD1 3.88Å; R94-D96 IonicContact NH2-OD2 2.68Å; R94-D96 PolarHBondContact NH2-OD2 3.49Å; R94-F101 VanDerWaalsContact NH2-CE1 3.31Å; R94-Q102 CarbonylContact C-O 3.54Å; R94-Q102 VanDerWaalsContact CA-O 3.31Å; R94-Q102 WeakPolarHBondContact CA-O 3.28Å; R94-D143 IonicContact CZ-OD2 2.8Å; R94-D143 IonicContact NH1-OD2 3.51Å; R94-D143 PolarHBondContact NH1-OD2 3.25Å; R94-D143 IonicContact NH2-OD1 3.96Å; R94-D143 IonicContact NH2-OD2 3.07Å; R94-D143 PolarHBondContact NH2-OD2 3.48Å
95K94.4Very high91.5Very high124 Ų12458.3 Ų58.354%0.53931%0.306SS..  trans-138.9104.9174.7179.9169.5-177.7162.90108.5Q102K95-Q102 PolarHBondContact N-O 3.28Å; K95-Q102 VanDerWaalsContact O-CB 3.26Å; K95-Q102 WeakPolarHBondContact O-CB 3.39Å
96D95.1Very high92.7Very high13 Ų1355.5 Ų55.57%0.0729%0.289CS..  trans-78.7158.9-176.1-64.7-12.4000111.4R94 F101 Q102R94-D96 WeakPolarHBondContact CG-OD1 3.47Å; R94-D96 IonicContact CZ-OD1 3.93Å; R94-D96 IonicContact CZ-OD2 3.16Å; R94-D96 IonicContact NE-OD1 3.93Å; R94-D96 PolarHBondContact NE-OD1 2.89Å; R94-D96 IonicContact NE-OD2 2.75Å; R94-D96 PolarHBondContact NE-OD2 3.29Å; R94-D96 IonicContact NH2-OD1 3.88Å; R94-D96 IonicContact NH2-OD2 2.68Å; R94-D96 PolarHBondContact NH2-OD2 3.49Å; D96-F101 WeakPolarHBondContact OD1-CA 3.26Å; D96-F101 WeakPolarHBondContact OD2-CD1 3.32Å; D96-Q102 PolarHBondContact OD1-N 3.46Å
97T94.3Very high93.4Very high38 Ų3853.5 Ų53.523%0.23328%0.278CS..  trans-114.4175.4167.464.20000108.4T99 S100 Q102 K171T97-T99 PolarHBondContact O-N 3.09Å; T97-T99 PolarHBondContact OG1-N 2.93Å; T97-S100 PolarHBondContact N-O 2.84Å; T97-S100 PolarHBondContact OG1-N 3.33Å; T97-S100 PolarHBondContact OG1-O 2.77Å; T97-Q102 HydrophobicContact CG2-CG 4.21Å; T97-K171 VanDerWaalsContact O-CE 3.25Å; T97-K171 WeakPolarHBondContact O-CE 3.06Å; T97-K171 PolarHBondContact O-NZ 2.88Å; T97-K171 VanDerWaalsContact O-NZ 3.08Å
98K93.3Very high94.1Very high122 Ų12248.7 Ų48.753%0.5325%0.245SC..SBendtrans-56.7-34.1174.2-64.8-173.5178.4-1690113.2T44 E46 L176T44-K98 WeakPolarHBondContact O-CE 3.43Å; T44-K98 PolarHBondContact O-NZ 2.91Å; E46-K98 HydrophobicContact CG-CD 4.49Å; E46-K98 HydrophobicContact CG-CG 3.95Å; K98-L176 VanDerWaalsContact O-CD2 3.22Å; K98-L176 WeakPolarHBondContact O-CD2 3.31Å
99T95.8Very high94.5Very high73 Ų7348.7 Ų48.745%0.44824%0.243SC..SBendtrans-110.3-16.6-170.655.80000114.3T97 Q170 K171T97-T99 PolarHBondContact O-N 3.09Å; T97-T99 PolarHBondContact OG1-N 2.93Å; T99-Q170 VanDerWaalsContact O-CD 3.31Å; T99-Q170 PolarHBondContact O-OE1 3.36Å; T99-K171 WeakPolarHBondContact O-CB 3.45Å; T99-K171 PolarHBondContact O-N 3.38Å
100S97.3Very high94.7Very high12 Ų1248.6 Ų48.68%0.08424%0.238CC..EExtended strand (participates in β ladder)trans-144.9140.9-171.1-37.30000111T97 Y169 Q170T97-S100 PolarHBondContact N-O 2.84Å; T97-S100 PolarHBondContact OG1-N 3.33Å; T97-S100 PolarHBondContact OG1-O 2.77Å; S100-Y169 CarbonylContact C-O 3.52Å; S100-Y169 VanDerWaalsContact CA-O 3.23Å; S100-Y169 WeakPolarHBondContact CA-O 3.32Å; S100-Y169 WeakPolarHBondContact CB-O 3.24Å; S100-Q170 PolarHBondContact OG-OE1 3.1Å
101F97.6Very high94.6Very high0 Ų048.4 Ų48.40%024%0.241CC..EExtended strand (participates in β ladder)trans-72.8133.9161.1-52.9-54.8000108.3R94 D96 W103 V141 D143 L144 S168 Y169 K171 I175R94-F101 VanDerWaalsContact NH2-CE1 3.31Å; D96-F101 WeakPolarHBondContact OD1-CA 3.26Å; D96-F101 WeakPolarHBondContact OD2-CD1 3.32Å; F101-W103 HydrophobicContact CB-CH2 3.57Å; F101-W103 HydrophobicContact CB-CZ2 4.19Å; F101-W103 HydrophobicContact CB-CZ3 3.87Å; F101-W103 HydrophobicContact CG-CH2 4.4Å; F101-V141 HydrophobicContact CD2-CG1 3.71Å; F101-V141 HydrophobicContact CE2-CG1 3.83Å; F101-V141 HydrophobicContact CG-CG1 4.46Å; F101-D143 HydrophobicContact CE1-CB 4.07Å; F101-D143 HydrophobicContact CE2-CB 4.3Å; F101-D143 HydrophobicContact CZ-CB 3.55Å; F101-L144 HydrophobicContact CE2-CD2 4.49Å; F101-L144 HydrophobicContact CE2-CG 4.46Å; F101-S168 WeakPolarHBondContact O-CA 3.45Å; F101-Y169 HydrophobicContact CD2-CD1 4.02Å; F101-Y169 PolarHBondContact N-O 3.27Å; F101-Y169 PolarHBondContact O-N 2.99Å; F101-K171 HydrophobicContact CD1-CD 4.25Å; F101-K171 HydrophobicContact CD1-CG 4.05Å; F101-K171 HydrophobicContact CD2-CG 4.14Å; F101-K171 HydrophobicContact CE1-CD 3.92Å; F101-K171 HydrophobicContact CE1-CG 3.9Å; F101-K171 HydrophobicContact CE2-CG 3.97Å; F101-K171 HydrophobicContact CG-CG 4.21Å; F101-K171 HydrophobicContact CZ-CD 4.25Å; F101-K171 HydrophobicContact CZ-CG 3.88Å; F101-I175 HydrophobicContact CE1-CG2 4.3Å; F101-I175 HydrophobicContact CZ-CG1 4.46Å; F101-I175 HydrophobicContact CZ-CG2 3.68Å
102Q97.4Very high94.6Very high30 Ų3051 Ų5114%0.1425%0.249CC..EExtended strand (participates in β ladder)trans-128.5136.7174.8-47.1-174.5-2800112.1R94 K95 D96 T97 I166 V167 S168R94-Q102 CarbonylContact C-O 3.54Å; R94-Q102 VanDerWaalsContact CA-O 3.31Å; R94-Q102 WeakPolarHBondContact CA-O 3.28Å; K95-Q102 PolarHBondContact N-O 3.28Å; K95-Q102 VanDerWaalsContact O-CB 3.26Å; K95-Q102 WeakPolarHBondContact O-CB 3.39Å; D96-Q102 PolarHBondContact OD1-N 3.46Å; T97-Q102 HydrophobicContact CG2-CG 4.21Å; Q102-I166 HydrophobicContact CB-CG2 4.43Å; Q102-V167 CarbonylContact C-O 3.57Å; Q102-V167 VanDerWaalsContact CA-O 3.29Å; Q102-V167 WeakPolarHBondContact CA-O 3.38Å; Q102-S168 PolarHBondContact NE2-OG 3.31Å
103W97.8Very high94.6Very high7 Ų754.3 Ų54.33%0.02727%0.269CS..EExtended strand (participates in β ladder)trans-112.7125.8169.1-59-91.2000109.1F92 L93 F101 I105 I126 F139 V141 I166 V167F92-W103 AromaticContact CE1-CD1 3.66Å; F92-W103 HydrophobicContact CE2-CB 3.92Å; F92-W103 AromaticContact CE2-CD1 3.99Å; F92-W103 HydrophobicContact CE2-CG 4.16Å; F92-W103 HydrophobicContact CZ-CB 4.01Å; F92-W103 AromaticContact CZ-CD1 3.18Å; F92-W103 AromaticContact CZ-CG 3.76Å; F92-W103 HydrophobicContact CZ-CG 3.76Å; F92-W103 AromaticContact CZ-NE1 3.95Å; L93-W103 CarbonylContact O-C 3.58Å; L93-W103 VanDerWaalsContact O-CA 3.24Å; L93-W103 WeakPolarHBondContact O-CA 3.2Å; F101-W103 HydrophobicContact CB-CH2 3.57Å; F101-W103 HydrophobicContact CB-CZ2 4.19Å; F101-W103 HydrophobicContact CB-CZ3 3.87Å; F101-W103 HydrophobicContact CG-CH2 4.4Å; W103-I105 HydrophobicContact CB-CD1 4.43Å; W103-I126 HydrophobicContact CH2-CD1 4.3Å; W103-I126 HydrophobicContact CZ3-CD1 4.13Å; W103-F139 HydrophobicContact CB-CE2 4.49Å; W103-F139 HydrophobicContact CB-CZ 4.41Å; W103-F139 HydrophobicContact CD2-CD2 4.19Å; W103-F139 AromaticContact CD2-CE2 3.37Å; W103-F139 HydrophobicContact CD2-CE2 3.37Å; W103-F139 HydrophobicContact CD2-CZ 4.01Å; W103-F139 AromaticContact CE2-CD2 3.87Å; W103-F139 AromaticContact CE2-CE2 3.47Å; W103-F139 VanDerWaalsContact CE2-CE2 3.47Å; W103-F139 AromaticContact CE3-CE2 3.75Å; W103-F139 HydrophobicContact CE3-CE2 3.75Å; W103-F139 HydrophobicContact CE3-CZ 4.2Å; W103-F139 HydrophobicContact CG-CD2 4.38Å; W103-F139 AromaticContact CG-CE2 3.72Å; W103-F139 HydrophobicContact CG-CE2 3.72Å; W103-F139 HydrophobicContact CG-CZ 4.11Å; W103-F139 HydrophobicContact CH2-CE2 4.26Å; W103-F139 HydrophobicContact CZ2-CD2 4.28Å; W103-F139 AromaticContact CZ2-CE2 3.93Å; W103-F139 HydrophobicContact CZ2-CE2 3.93Å; W103-F139 HydrophobicContact CZ3-CE2 4.17Å; W103-F139 AromaticContact NE1-CD2 3.85Å; W103-F139 AromaticContact NE1-CE2 3.81Å; W103-V141 HydrophobicContact CH2-CB 4.36Å; W103-V141 HydrophobicContact CH2-CG1 3.99Å; W103-V141 HydrophobicContact CH2-CG2 3.62Å; W103-V141 HydrophobicContact CZ2-CB 4.49Å; W103-V141 HydrophobicContact CZ2-CG1 4.23Å; W103-V141 HydrophobicContact CZ2-CG2 4.02Å; W103-I166 WeakPolarHBondContact O-CA 3.28Å; W103-V167 HydrophobicContact CE3-CG1 4.33Å; W103-V167 PolarHBondContact N-O 3.33Å; W103-V167 PolarHBondContact O-N 3.08Å
104R96.1Very high94.7Very high90 Ų9054.5 Ų54.534%0.3427%0.271SS..EExtended strand (participates in β ladder)trans-109.2122.5179.1-60-174.3-179.8-154-4.1108.1L93 T164 L165 I166L93-R104 PolarHBondContact N-O 2.83Å; L93-R104 PolarHBondContact O-N 3.33Å; R104-T164 HydrophobicContact CB-CG2 4.31Å; R104-L165 WeakPolarHBondContact CA-O 3.35Å; R104-I166 HydrophobicContact CG-CG1 4.34Å; R104-I166 HydrophobicContact CG-CG2 4.48Å
105I95.9Very high94.7Very high0 Ų054.4 Ų54.40%027%0.271CS..EExtended strand (participates in β ladder)trans-113.2102.1175.6-51.184.2000107.3P90 V91 F92 W103 L108 I128 Y135 T164 L165 V167P90-I105 HydrophobicContact CB-CG2 4.19Å; V91-I105 VanDerWaalsContact O-CA 3.3Å; V91-I105 WeakPolarHBondContact O-CA 3.35Å; F92-I105 HydrophobicContact CD2-CD1 4.13Å; F92-I105 HydrophobicContact CD2-CG1 3.59Å; F92-I105 HydrophobicContact CE2-CD1 4.33Å; F92-I105 HydrophobicContact CE2-CG1 4.27Å; F92-I105 HydrophobicContact CG-CG1 4.49Å; W103-I105 HydrophobicContact CB-CD1 4.43Å; I105-L108 HydrophobicContact CB-CD1 3.69Å; I105-L108 HydrophobicContact CG2-CD1 3.36Å; I105-L108 HydrophobicContact CG2-CG 3.85Å; I105-I128 HydrophobicContact CD1-CD1 3.57Å; I105-I128 HydrophobicContact CG1-CD1 4.26Å; I105-Y135 HydrophobicContact CG2-CE1 4.34Å; I105-Y135 HydrophobicContact CG2-CE2 4.11Å; I105-Y135 WeakPolarHBondContact CG2-OH 3.3Å; I105-T164 CarbonylContact O-C 3.58Å; I105-T164 VanDerWaalsContact O-CA 3.3Å; I105-T164 WeakPolarHBondContact O-CA 3.36Å; I105-L165 HydrophobicContact CB-CB 4.34Å; I105-L165 HydrophobicContact CD1-CB 4.43Å; I105-L165 HydrophobicContact CD1-CD2 4.34Å; I105-L165 HydrophobicContact CD1-CG 4.49Å; I105-L165 PolarHBondContact N-O 3.21Å; I105-L165 PolarHBondContact O-N 3.25Å; I105-V167 HydrophobicContact CD1-CG2 4.29Å
106R94.4Very high94.8Very high104 Ų10450.6 Ų50.639%0.39226%0.26SS..EExtended strand (participates in β ladder)trans-81.6166.3178.4-62.9-170.9-71.3-174.9-5.1110.6P90 V91 L108 N163 T164P90-R106 VanDerWaalsContact CA-O 3.32Å; P90-R106 WeakPolarHBondContact CA-O 3.34Å; V91-R106 HydrophobicContact CB-CB 4.47Å; V91-R106 PolarHBondContact N-O 3.24Å; V91-R106 PolarHBondContact O-N 3.45Å; R106-L108 VanDerWaalsContact C-N 3.34Å; R106-L108 PolarHBondContact O-N 3.4Å; R106-N163 CarbonylContact C-O 3.53Å; R106-T164 HydrophobicContact CG-CG2 4.1Å
107N93.4Very high94.9Very high54 Ų5451 Ų5129%0.28926%0.263SS..  trans60.240.9177.5-51.2-31.7000113.3C87 N89 P109 N163C87-N107 PolarHBondContact O-ND2 3.35Å; N89-N107 WeakPolarHBondContact O-CB 3.25Å; N89-N107 PolarHBondContact O-ND2 2.87Å; N107-P109 VanDerWaalsContact C-CD 3.5Å; N107-P109 VanDerWaalsContact O-CD 3.26Å; N107-P109 WeakPolarHBondContact O-CD 3.21Å; N107-N163 PolarHBondContact N-O 2.84Å
108L92.5Very high94.9Very high1 Ų151 Ų511%0.00527%0.265CS..  trans-112.184171.7-71.8177.8000110.1P90 I105 R106 Y110 F115 Y135 H160 N163 L165P90-L108 HydrophobicContact CB-CD2 4.05Å; P90-L108 HydrophobicContact CB-CG 4.5Å; P90-L108 HydrophobicContact CG-CD2 3.87Å; I105-L108 HydrophobicContact CB-CD1 3.69Å; I105-L108 HydrophobicContact CG2-CD1 3.36Å; I105-L108 HydrophobicContact CG2-CG 3.85Å; R106-L108 VanDerWaalsContact C-N 3.34Å; R106-L108 PolarHBondContact O-N 3.4Å; L108-Y110 HydrophobicContact CD2-CD2 4.36Å; L108-Y110 HydrophobicContact CD2-CE2 4.19Å; L108-Y110 PolarHBondContact O-N 3.23Å; L108-F115 HydrophobicContact CB-CE1 4.19Å; L108-F115 HydrophobicContact CB-CZ 3.93Å; L108-F115 HydrophobicContact CD1-CE1 3.85Å; L108-F115 HydrophobicContact CD1-CZ 4.32Å; L108-F115 HydrophobicContact CG-CE1 4.46Å; L108-Y135 HydrophobicContact CD1-CD1 4.39Å; L108-Y135 HydrophobicContact CD1-CE1 4.38Å; L108-Y135 HydrophobicContact CD2-CD1 4.39Å; L108-Y135 HydrophobicContact CD2-CD2 3.77Å; L108-Y135 HydrophobicContact CD2-CE2 4.29Å; L108-Y135 HydrophobicContact CD2-CG 3.82Å; L108-H160 PolarHBondContact O-NE2 3.39Å; L108-N163 PolarHBondContact N-O 3.1Å; L108-L165 HydrophobicContact CD1-CB 3.89Å; L108-L165 HydrophobicContact CD1-CD2 4.36Å
109P92.3Very high95Very high82 Ų8247.1 Ų47.153%0.53225%0.249SC..  trans-82.554.7-177.337.2-37.9000111.6N107 N163N107-P109 VanDerWaalsContact C-CD 3.5Å; N107-P109 VanDerWaalsContact O-CD 3.26Å; N107-P109 WeakPolarHBondContact O-CD 3.21Å; P109-N163 WeakPolarHBondContact CA-OD1 3.45Å
110Y92Very high94.9Very high71 Ų7147 Ų4728%0.27824%0.243SC..SBendtrans-120.7152.9175.2-51.2-65.3000109.7L108 F115 T130 N132 K134 H160L108-Y110 HydrophobicContact CD2-CD2 4.36Å; L108-Y110 HydrophobicContact CD2-CE2 4.19Å; L108-Y110 PolarHBondContact O-N 3.23Å; Y110-F115 HydrophobicContact CD2-CE1 4.22Å; Y110-F115 HydrophobicContact CD2-CZ 4.08Å; Y110-F115 HydrophobicContact CG-CZ 4.43Å; Y110-F115 WeakPolarHBondContact O-CE2 3.4Å; Y110-T130 HydrophobicContact CD2-CG2 4.48Å; Y110-N132 WeakPolarHBondContact CD1-ND2 3.43Å; Y110-N132 WeakPolarHBondContact CE1-ND2 3.23Å; Y110-K134 HydrophobicContact CE2-CB 4.23Å; Y110-K134 VanDerWaalsContact OH-CB 3.28Å; Y110-K134 WeakPolarHBondContact OH-CB 3.42Å; Y110-H160 PolarHBondContact O-CE1 3.34Å; Y110-H160 PolarHBondContact O-NE2 2.74Å
111A91.8Very high94.4Very high55 Ų5550.1 Ų50.146%0.45526%0.263SS..  trans-66.5154.8175.600000111.3D113 V114 F115A111-D113 VanDerWaalsContact C-N 3.26Å; A111-D113 WeakPolarHBondContact CB-OD1 3.47Å; A111-D113 PolarHBondContact O-N 2.88Å; A111-V114 HydrophobicContact CB-CG2 4.4Å; A111-V114 WeakPolarHBondContact O-CB 3.47Å; A111-V114 PolarHBondContact O-N 3.09Å; A111-V114 VanDerWaalsContact O-N 3.1Å; A111-F115 WeakPolarHBondContact O-CD2 3.3Å; A111-F115 VanDerWaalsContact O-CE2 3.31Å; A111-F115 WeakPolarHBondContact O-CE2 3.4Å
112K92.2Very high94Very high106 Ų10655 Ų5546%0.46130%0.297SS..G310 helixtrans-57.7-38.2-173.1-176.8-179.2175.8-174.20112.8V114 F115 Y158 H160K112-V114 PolarHBondContact O-N 3.47Å; K112-F115 WeakPolarHBondContact O-CD2 3.42Å; K112-F115 PolarHBondContact O-N 2.86Å; K112-Y158 HydrophobicContact CG-CE2 4.17Å; K112-H160 HydrophobicContact CB-CB 4.22Å; K112-H160 HydrophobicContact CG-CB 4.17Å
113D93.9Very high93.7Very high130 Ų13058.2 Ų58.270%0.69531%0.312SS*.G310 helixtrans-67.2-18.1-179.161.6-52.8000113.9A111 F115A111-D113 VanDerWaalsContact C-N 3.26Å; A111-D113 WeakPolarHBondContact CB-OD1 3.47Å; A111-D113 PolarHBondContact O-N 2.88Å; D113-F115 VanDerWaalsContact C-N 3.27Å; D113-F115 PolarHBondContact O-N 3.5Å
114V95.1Very high93.5Very high23 Ų2361.2 Ų61.214%0.13932%0.323CS..G310 helixtrans-72.8-23.91751780000111.4A111 K112 T130 T131A111-V114 HydrophobicContact CB-CG2 4.4Å; A111-V114 WeakPolarHBondContact O-CB 3.47Å; A111-V114 PolarHBondContact O-N 3.09Å; A111-V114 VanDerWaalsContact O-N 3.1Å; K112-V114 PolarHBondContact O-N 3.47Å; V114-T130 HydrophobicContact CG1-CG2 4.14Å; V114-T130 CarbonylContact O-C 3.54Å; V114-T130 VanDerWaalsContact O-CA 3.28Å; V114-T130 WeakPolarHBondContact O-CA 3.45Å; V114-T131 PolarHBondContact O-N 3.42Å
115F96.1Very high93.5Very high7 Ų757.6 Ų57.63%0.03131%0.312CS..EExtended strand (participates in β ladder)trans-87.4137.5-176.5-57.4-76.8000112.1L108 Y110 A111 K112 D113 T130 Y158 H160 L165L108-F115 HydrophobicContact CB-CE1 4.19Å; L108-F115 HydrophobicContact CB-CZ 3.93Å; L108-F115 HydrophobicContact CD1-CE1 3.85Å; L108-F115 HydrophobicContact CD1-CZ 4.32Å; L108-F115 HydrophobicContact CG-CE1 4.46Å; Y110-F115 HydrophobicContact CD2-CE1 4.22Å; Y110-F115 HydrophobicContact CD2-CZ 4.08Å; Y110-F115 HydrophobicContact CG-CZ 4.43Å; Y110-F115 WeakPolarHBondContact O-CE2 3.4Å; A111-F115 WeakPolarHBondContact O-CD2 3.3Å; A111-F115 VanDerWaalsContact O-CE2 3.31Å; A111-F115 WeakPolarHBondContact O-CE2 3.4Å; K112-F115 WeakPolarHBondContact O-CD2 3.42Å; K112-F115 PolarHBondContact O-N 2.86Å; D113-F115 VanDerWaalsContact C-N 3.27Å; D113-F115 PolarHBondContact O-N 3.5Å; F115-T130 HydrophobicContact CD1-CG2 3.56Å; F115-T130 HydrophobicContact CE1-CG2 3.67Å; F115-Y158 HydrophobicContact CB-CE2 4.3Å; F115-Y158 PolarHBondContact O-OH 3.27Å; F115-H160 HydrophobicContact CE2-CB 4.39Å; F115-H160 AromaticContact CE2-CD2 3.36Å; F115-H160 WeakPolarHBondContact CE2-CD2 3.4Å; F115-H160 AromaticContact CE2-CG 3.79Å; F115-H160 AromaticContact CE2-NE2 3.64Å; F115-H160 AromaticContact CZ-CD2 3.75Å; F115-H160 AromaticContact CZ-NE2 3.84Å; F115-L165 HydrophobicContact CB-CD1 4.39Å; F115-L165 HydrophobicContact CD1-CD1 4.5Å; F115-L165 HydrophobicContact CD1-CD2 4Å; F115-L165 HydrophobicContact CD2-CD1 4.25Å; F115-L165 HydrophobicContact CE1-CD2 4.45Å; F115-L165 HydrophobicContact CG-CD1 4.12Å; F115-L165 HydrophobicContact CG-CD2 4.36Å
116S96.4Very high93.5Very high44 Ų4457.6 Ų57.631%0.30831%0.312SS..EExtended strand (participates in β ladder)trans-121.1117.4167.3165.30000107.6K129S116-K129 PolarHBondContact N-O 3.27Å; S116-K129 PolarHBondContact O-N 3.01Å; S116-K129 WeakPolarHBondContact OG-CE 3.43Å
117V97Very high93.7Very high23 Ų2353.5 Ų53.514%0.13930%0.297CS..EExtended strand (participates in β ladder)trans-110.9118.6173.1-173.70000107.4I126 I127 I128 L156 Y158 L165 V167V117-I126 HydrophobicContact CG1-CG2 4.06Å; V117-I127 WeakPolarHBondContact CA-O 3.29Å; V117-I128 HydrophobicContact CG1-CG1 4.39Å; V117-I128 HydrophobicContact CG2-CG1 4.32Å; V117-I128 HydrophobicContact CG2-CG2 4.49Å; V117-L156 HydrophobicContact CG1-CD1 4.42Å; V117-L156 HydrophobicContact CG1-CD2 4.17Å; V117-L156 HydrophobicContact CG1-CG 4.46Å; V117-Y158 HydrophobicContact CB-CD1 3.69Å; V117-Y158 HydrophobicContact CB-CE1 4.14Å; V117-Y158 HydrophobicContact CB-CG 4.14Å; V117-Y158 HydrophobicContact CG2-CD1 3.66Å; V117-Y158 HydrophobicContact CG2-CD2 4.07Å; V117-Y158 HydrophobicContact CG2-CE1 4.13Å; V117-Y158 HydrophobicContact CG2-CE2 4.5Å; V117-Y158 HydrophobicContact CG2-CG 3.62Å; V117-L165 HydrophobicContact CG2-CD2 4.43Å; V117-V167 HydrophobicContact CG1-CG1 3.96Å; V117-V167 HydrophobicContact CG1-CG2 4.15Å; V117-V167 HydrophobicContact CG2-CG2 4.15Å
118S95.8Very high93.9Very high38 Ų3850.9 Ų50.927%0.26628%0.284SS..EExtended strand (participates in β ladder)trans-137.7163.6-177.960.10000110.2I127S118-I127 PolarHBondContact N-O 3.17Å; S118-I127 PolarHBondContact O-N 3.23Å
119M94.3Very high94.1Very high40 Ų4055.2 Ų55.220%0.19730%0.303CS..EExtended strand (participates in β ladder)trans-107.2151.1171.651.7168.343.300111.1P121 C125 L151 D152 G153 L156 Y169M119-P121 HydrophobicContact SD-CG 4.37Å; M119-C125 WeakPolarHBondContact CA-O 3.47Å; M119-L151 HydrophobicContact CE-CB 3.79Å; M119-L151 HydrophobicContact SD-CB 4.43Å; M119-D152 VanDerWaalsContact CE-O 3.29Å; M119-D152 WeakPolarHBondContact CE-O 3.26Å; M119-G153 VanDerWaalsContact CE-CA 3.44Å; M119-G153 VanDerWaalsContact CE-N 3.34Å; M119-G153 WeakPolarHBondContact SD-CA 3.32Å; M119-G153 PolarHBondContact SD-N 2.85Å; M119-L156 HydrophobicContact CB-CD2 4.44Å; M119-Y169 HydrophobicContact CE-CE2 4.29Å
120E93.8Very high94.3Very high70 Ų7051.8 Ų51.833%0.32728%0.28SS..EExtended strand (participates in β ladder)trans-119.390.7172-176.452.4-112.200107.5S122 E123 R124 C125 I127E120-S122 VanDerWaalsContact C-N 3.27Å; E120-S122 PolarHBondContact O-N 2.95Å; E120-S122 PolarHBondContact OE1-OG 2.88Å; E120-E123 HydrophobicContact CB-CB 4.47Å; E120-E123 HydrophobicContact CG-CB 3.85Å; E120-E123 HydrophobicContact CG-CG 3.71Å; E120-E123 WeakPolarHBondContact CG-OE2 3.31Å; E120-E123 CarbonylContact O-C 3.56Å; E120-E123 PolarHBondContact O-N 2.89Å; E120-R124 PolarHBondContact O-N 3.25Å; E120-C125 PolarHBondContact N-O 2.82Å; E120-C125 PolarHBondContact O-N 2.84Å; E120-C125 VanDerWaalsContact O-N 3.11Å; E120-I127 HydrophobicContact CB-CD1 3.9Å
121P87.5Confident94.5Very high77 Ų7753.6 Ų53.650%0.530%0.298SS..THydrogen-bonded Turntrans-62.3-32.5-174.6-24.935.3000113.5M119 E123 R124M119-P121 HydrophobicContact SD-CG 4.37Å; P121-E123 VanDerWaalsContact C-N 3.28Å; P121-E123 PolarHBondContact O-N 2.83Å; P121-R124 PolarHBondContact O-N 2.9Å
122S88.5Confident94.6Very high102 Ų10254.1 Ų54.171%0.71329%0.294SS*.THydrogen-bonded Turntrans-62.8-37.1179.567.20000112E120E120-S122 VanDerWaalsContact C-N 3.27Å; E120-S122 PolarHBondContact O-N 2.95Å; E120-S122 PolarHBondContact OE1-OG 2.88Å
123E90.9Very high94.6Very high99 Ų9958.3 Ų58.346%0.46331%0.312SS..THydrogen-bonded Turntrans-98.40.2178.2-56.2-177.7128.700113.1E120 P121 C125 K138E120-E123 HydrophobicContact CB-CB 4.47Å; E120-E123 HydrophobicContact CG-CB 3.85Å; E120-E123 HydrophobicContact CG-CG 3.71Å; E120-E123 WeakPolarHBondContact CG-OE2 3.31Å; E120-E123 CarbonylContact O-C 3.56Å; E120-E123 PolarHBondContact O-N 2.89Å; P121-E123 VanDerWaalsContact C-N 3.28Å; P121-E123 PolarHBondContact O-N 2.83Å; E123-C125 VanDerWaalsContact C-N 3.25Å; E123-C125 HydrophobicContact CB-CB 4.5Å; E123-C125 PolarHBondContact O-N 2.86Å; E123-C125 PolarHBondContact O-SG 3.45Å; E123-K138 IonicContact OE1-NZ 2.73Å; E123-K138 PolarHBondContact OE1-NZ 3.07Å; E123-K138 WeakPolarHBondContact OE2-CE 3.24Å; E123-K138 IonicContact OE2-NZ 3.36Å; E123-K138 PolarHBondContact OE2-NZ 3.35Å
124R93.1Very high94.6Very high69 Ų6959.2 Ų59.226%0.2631%0.31SS..THydrogen-bonded Turntrans51.941.7-177.2-59.6177.856.185.88.3113.2E120 P121 L144 D145 L149E120-R124 PolarHBondContact O-N 3.25Å; P121-R124 PolarHBondContact O-N 2.9Å; R124-L144 PolarHBondContact NH2-O 3.33Å; R124-D145 IonicContact CZ-OD1 2.88Å; R124-D145 IonicContact NE-OD1 2.86Å; R124-D145 PolarHBondContact NE-OD1 2.91Å; R124-D145 IonicContact NH2-OD1 2.58Å; R124-D145 PolarHBondContact NH2-OD1 2.82Å; R124-L149 VanDerWaalsContact CZ-O 3.32Å; R124-L149 PolarHBondContact NH1-O 2.88Å; R124-L149 VanDerWaalsContact NH1-O 3.11Å; R124-L149 PolarHBondContact NH2-O 2.93Å
125C96.1Very high94.6Very high15 Ų1559.4 Ų59.410%0.10131%0.308CS..EExtended strand (participates in β ladder)trans-125.1157-175.3-73.10000112.9M119 E120 E123 K138 F139M119-C125 WeakPolarHBondContact CA-O 3.47Å; E120-C125 PolarHBondContact N-O 2.82Å; E120-C125 PolarHBondContact O-N 2.84Å; E120-C125 VanDerWaalsContact O-N 3.11Å; E123-C125 VanDerWaalsContact C-N 3.25Å; E123-C125 HydrophobicContact CB-CB 4.5Å; E123-C125 PolarHBondContact O-N 2.86Å; E123-C125 PolarHBondContact O-SG 3.45Å; C125-K138 HydrophobicContact CB-CD 4.39Å; C125-K138 HydrophobicContact CB-CG 3.83Å; C125-F139 CarbonylContact C-O 3.58Å; C125-F139 WeakPolarHBondContact CA-O 3.43Å
126I97.4Very high94.6Very high0 Ų066 Ų660%033%0.334CS..EExtended strand (participates in β ladder)trans-102.3136.5164.8-60.8167.3000107.6W103 V117 K138 F139 V141 L156 V167 Y169W103-I126 HydrophobicContact CH2-CD1 4.3Å; W103-I126 HydrophobicContact CZ3-CD1 4.13Å; V117-I126 HydrophobicContact CG1-CG2 4.06Å; I126-K138 WeakPolarHBondContact O-CA 3.41Å; I126-F139 HydrophobicContact CB-CD2 4.49Å; I126-F139 HydrophobicContact CB-CE1 4.08Å; I126-F139 HydrophobicContact CB-CE2 3.95Å; I126-F139 HydrophobicContact CB-CZ 3.74Å; I126-F139 HydrophobicContact CD1-CE2 4.01Å; I126-F139 HydrophobicContact CD1-CZ 4.32Å; I126-F139 HydrophobicContact CG2-CE1 3.93Å; I126-F139 HydrophobicContact CG2-CE2 4.3Å; I126-F139 HydrophobicContact CG2-CZ 3.62Å; I126-F139 PolarHBondContact N-O 2.87Å; I126-F139 PolarHBondContact O-N 2.73Å; I126-V141 HydrophobicContact CD1-CG2 3.71Å; I126-V141 HydrophobicContact CG1-CG2 4.46Å; I126-L156 HydrophobicContact CD1-CD1 3.97Å; I126-L156 HydrophobicContact CG1-CD1 4.49Å; I126-L156 HydrophobicContact CG2-CD1 4.34Å; I126-L156 HydrophobicContact CG2-CD2 4.34Å; I126-V167 HydrophobicContact CG2-CG1 4.47Å; I126-Y169 HydrophobicContact CD1-CD2 4.31Å
127I97.6Very high94.6Very high17 Ų1767.4 Ų67.49%0.08733%0.334CS..EExtended strand (participates in β ladder)trans-119.4126.8-179.4-58175.3000108.6V117 S118 E120 Y136 K137 K138V117-I127 WeakPolarHBondContact CA-O 3.29Å; S118-I127 PolarHBondContact N-O 3.17Å; S118-I127 PolarHBondContact O-N 3.23Å; E120-I127 HydrophobicContact CB-CD1 3.9Å; I127-Y136 HydrophobicContact CG2-CD2 4.33Å; I127-Y136 HydrophobicContact CG2-CE2 3.61Å; I127-K137 CarbonylContact C-O 3.47Å; I127-K137 WeakPolarHBondContact CA-O 3.39Å; I127-K138 HydrophobicContact CG1-CB 4.37Å; I127-K138 HydrophobicContact CG1-CG 4.16Å
128I97.6Very high94.6Very high0 Ų070.1 Ų70.10%034%0.344CS..EExtended strand (participates in β ladder)trans-108.7127.1168.8-56.3166.2000106.9I105 V117 Y135 Y136 K137 F139 L165 V167I105-I128 HydrophobicContact CD1-CD1 3.57Å; I105-I128 HydrophobicContact CG1-CD1 4.26Å; V117-I128 HydrophobicContact CG1-CG1 4.39Å; V117-I128 HydrophobicContact CG2-CG1 4.32Å; V117-I128 HydrophobicContact CG2-CG2 4.49Å; I128-Y135 HydrophobicContact CB-CE1 4.14Å; I128-Y135 HydrophobicContact CG2-CD1 3.87Å; I128-Y135 HydrophobicContact CG2-CE1 3.76Å; I128-Y136 CarbonylContact O-C 3.58Å; I128-Y136 VanDerWaalsContact O-CA 3.31Å; I128-Y136 WeakPolarHBondContact O-CA 3.5Å; I128-K137 HydrophobicContact CB-CB 4.43Å; I128-K137 PolarHBondContact N-O 2.91Å; I128-K137 PolarHBondContact O-N 3.22Å; I128-F139 HydrophobicContact CD1-CE1 3.64Å; I128-F139 HydrophobicContact CD1-CZ 4.26Å; I128-F139 HydrophobicContact CG1-CE1 3.97Å; I128-L165 HydrophobicContact CD1-CD2 4.2Å; I128-L165 HydrophobicContact CG2-CD2 3.54Å; I128-V167 HydrophobicContact CD1-CG2 3.72Å; I128-V167 HydrophobicContact CG1-CG2 4.13Å
129K97Very high94.6Very high92 Ų9269.3 Ų69.340%0.434%0.336SS..EExtended strand (participates in β ladder)trans-139.4156.7175.455.8-173.5171.9179.60110.3S116 Y135 Y136S116-K129 PolarHBondContact N-O 3.27Å; S116-K129 PolarHBondContact O-N 3.01Å; S116-K129 WeakPolarHBondContact OG-CE 3.43Å; K129-Y135 WeakPolarHBondContact CA-O 3.38Å; K129-Y136 HydrophobicContact CB-CD2 4.1Å
130T96.5Very high94.7Very high10 Ų1069.6 Ų69.66%0.06134%0.342CS..EExtended strand (participates in β ladder)trans-115.3143.5176.845.50000109.9Y110 V114 F115 N132 K133 K134 Y135Y110-T130 HydrophobicContact CD2-CG2 4.48Å; V114-T130 HydrophobicContact CG1-CG2 4.14Å; V114-T130 CarbonylContact O-C 3.54Å; V114-T130 VanDerWaalsContact O-CA 3.28Å; V114-T130 WeakPolarHBondContact O-CA 3.45Å; F115-T130 HydrophobicContact CD1-CG2 3.56Å; F115-T130 HydrophobicContact CE1-CG2 3.67Å; T130-N132 VanDerWaalsContact CB-OD1 3.26Å; T130-N132 WeakPolarHBondContact CB-OD1 3.26Å; T130-N132 PolarHBondContact O-N 2.76Å; T130-N132 PolarHBondContact OG1-OD1 2.68Å; T130-N132 VanDerWaalsContact OG1-OD1 3.13Å; T130-K133 PolarHBondContact O-N 2.99Å; T130-K134 PolarHBondContact OG1-N 3.49Å; T130-Y135 PolarHBondContact N-O 2.9Å; T130-Y135 VanDerWaalsContact N-O 3.08Å; T130-Y135 PolarHBondContact OG1-N 3.18Å; T130-Y135 PolarHBondContact OG1-O 2.97Å
131T95.7Very high94.8Very high108 Ų10866.3 Ų66.366%0.66333%0.326SS*.THydrogen-bonded Turntrans-62.9-33.2179.553.40000112.4V114 K133V114-T131 PolarHBondContact O-N 3.42Å; T131-K133 PolarHBondContact O-N 2.89Å
132N93.6Very high95.2Very high66 Ų6664.1 Ų64.135%0.35331%0.312SS..THydrogen-bonded Turntrans-77.42.1174.768.98.9000114.3Y110 T130 K134Y110-N132 WeakPolarHBondContact CD1-ND2 3.43Å; Y110-N132 WeakPolarHBondContact CE1-ND2 3.23Å; T130-N132 VanDerWaalsContact CB-OD1 3.26Å; T130-N132 WeakPolarHBondContact CB-OD1 3.26Å; T130-N132 PolarHBondContact O-N 2.76Å; T130-N132 PolarHBondContact OG1-OD1 2.68Å; T130-N132 VanDerWaalsContact OG1-OD1 3.13Å; N132-K134 HydrophobicContact CB-CG 4.31Å; N132-K134 PolarHBondContact O-N 2.8Å; N132-K134 VanDerWaalsContact O-N 3.17Å; N132-K134 VanDerWaalsContact OD1-CB 3.31Å; N132-K134 WeakPolarHBondContact OD1-CB 3.32Å; N132-K134 WeakPolarHBondContact OD1-CG 3.35Å; N132-K134 PolarHBondContact OD1-N 2.75Å
133K93.8Very high95.5Very high194 Ų19459.6 Ų59.684%0.84328%0.28SS*.SBendtrans5921.4179.8-52.3178.3-178.2177.70114.7T130 T131T130-K133 PolarHBondContact O-N 2.99Å; T131-K133 PolarHBondContact O-N 2.89Å
134K92.3Very high95.7Very high150 Ų15054.9 Ų54.965%0.65226%0.258SS*.SBendtrans-84.7-17.7179.9-65.6-64.5-175.2177.60113.7Y110 T130 N132Y110-K134 HydrophobicContact CE2-CB 4.23Å; Y110-K134 VanDerWaalsContact OH-CB 3.28Å; Y110-K134 WeakPolarHBondContact OH-CB 3.42Å; T130-K134 PolarHBondContact OG1-N 3.49Å; N132-K134 HydrophobicContact CB-CG 4.31Å; N132-K134 PolarHBondContact O-N 2.8Å; N132-K134 VanDerWaalsContact O-N 3.17Å; N132-K134 VanDerWaalsContact OD1-CB 3.31Å; N132-K134 WeakPolarHBondContact OD1-CB 3.32Å; N132-K134 WeakPolarHBondContact OD1-CG 3.35Å; N132-K134 PolarHBondContact OD1-N 2.75Å
135Y95Very high95.7Very high26 Ų2653.6 Ų53.610%0.10226%0.256CS..  trans-141.8132178.9-171.3-100.6000111.1P90 I105 L108 I128 K129 T130 K137P90-Y135 HydrophobicContact CB-CD2 3.96Å; P90-Y135 HydrophobicContact CB-CE2 3.6Å; P90-Y135 HydrophobicContact CG-CD2 3.94Å; P90-Y135 HydrophobicContact CG-CE2 4.09Å; I105-Y135 HydrophobicContact CG2-CE1 4.34Å; I105-Y135 HydrophobicContact CG2-CE2 4.11Å; I105-Y135 WeakPolarHBondContact CG2-OH 3.3Å; L108-Y135 HydrophobicContact CD1-CD1 4.39Å; L108-Y135 HydrophobicContact CD1-CE1 4.38Å; L108-Y135 HydrophobicContact CD2-CD1 4.39Å; L108-Y135 HydrophobicContact CD2-CD2 3.77Å; L108-Y135 HydrophobicContact CD2-CE2 4.29Å; L108-Y135 HydrophobicContact CD2-CG 3.82Å; I128-Y135 HydrophobicContact CB-CE1 4.14Å; I128-Y135 HydrophobicContact CG2-CD1 3.87Å; I128-Y135 HydrophobicContact CG2-CE1 3.76Å; K129-Y135 WeakPolarHBondContact CA-O 3.38Å; T130-Y135 PolarHBondContact N-O 2.9Å; T130-Y135 VanDerWaalsContact N-O 3.08Å; T130-Y135 PolarHBondContact OG1-N 3.18Å; T130-Y135 PolarHBondContact OG1-O 2.97Å; Y135-K137 HydrophobicContact CE1-CB 3.75Å; Y135-K137 WeakPolarHBondContact OH-CB 3.3Å
136Y96.3Very high95.5Very high145 Ų14555.5 Ų55.557%0.56926%0.261SS*.EExtended strand (participates in β ladder)trans-141132171.7179.9-90.3000108.7I127 I128 K129 K138I127-Y136 HydrophobicContact CG2-CD2 4.33Å; I127-Y136 HydrophobicContact CG2-CE2 3.61Å; I128-Y136 CarbonylContact O-C 3.58Å; I128-Y136 VanDerWaalsContact O-CA 3.31Å; I128-Y136 WeakPolarHBondContact O-CA 3.5Å; K129-Y136 HydrophobicContact CB-CD2 4.1Å; Y136-K138 HydrophobicContact CE1-CB 4.11Å
137K96.8Very high95.2Very high75 Ų7556.8 Ų56.833%0.32627%0.271SS..EExtended strand (participates in β ladder)trans-145.5129174.2-175.572.4176.2-174.30109.3F92 I127 I128 Y135 F139F92-K137 HydrophobicContact CD2-CD 4.42Å; F92-K137 HydrophobicContact CD2-CG 4.04Å; F92-K137 HydrophobicContact CE2-CG 4.09Å; I127-K137 CarbonylContact C-O 3.47Å; I127-K137 WeakPolarHBondContact CA-O 3.39Å; I128-K137 HydrophobicContact CB-CB 4.43Å; I128-K137 PolarHBondContact N-O 2.91Å; I128-K137 PolarHBondContact O-N 3.22Å; Y135-K137 HydrophobicContact CE1-CB 3.75Å; Y135-K137 WeakPolarHBondContact OH-CB 3.3Å; K137-F139 HydrophobicContact CG-CD1 3.97Å
138K97Very high94.9Very high80 Ų8061.9 Ų61.935%0.34829%0.294SS..EExtended strand (participates in β ladder)trans-115.7132.8170.5178.1177.3166.2-174.30108.2E123 C125 I126 I127 Y136E123-K138 IonicContact OE1-NZ 2.73Å; E123-K138 PolarHBondContact OE1-NZ 3.07Å; E123-K138 WeakPolarHBondContact OE2-CE 3.24Å; E123-K138 IonicContact OE2-NZ 3.36Å; E123-K138 PolarHBondContact OE2-NZ 3.35Å; C125-K138 HydrophobicContact CB-CD 4.39Å; C125-K138 HydrophobicContact CB-CG 3.83Å; I126-K138 WeakPolarHBondContact O-CA 3.41Å; I127-K138 HydrophobicContact CG1-CB 4.37Å; I127-K138 HydrophobicContact CG1-CG 4.16Å; Y136-K138 HydrophobicContact CE1-CB 4.11Å
139F96.8Very high94.7Very high21 Ų2163.3 Ų63.39%0.09230%0.302CS..EExtended strand (participates in β ladder)trans-152.9150.4179.660.9-80.6000110.4F92 W103 C125 I126 I128 K137 V167F92-F139 AromaticContact CE2-CD1 3.84Å; F92-F139 HydrophobicContact CE2-CD1 3.84Å; F92-F139 AromaticContact CE2-CE1 3.89Å; F92-F139 HydrophobicContact CE2-CE1 3.89Å; F92-F139 HydrophobicContact CE2-CG 4.16Å; F92-F139 HydrophobicContact CE2-CZ 4.26Å; F92-F139 HydrophobicContact CZ-CB 4.22Å; F92-F139 AromaticContact CZ-CD1 3.92Å; F92-F139 HydrophobicContact CZ-CD1 3.92Å; F92-F139 AromaticContact CZ-CD2 3.91Å; F92-F139 HydrophobicContact CZ-CD2 3.91Å; F92-F139 HydrophobicContact CZ-CE1 4.24Å; F92-F139 HydrophobicContact CZ-CE2 4.25Å; F92-F139 AromaticContact CZ-CG 3.74Å; F92-F139 HydrophobicContact CZ-CG 3.74Å; F92-F139 HydrophobicContact CZ-CZ 4.39Å; W103-F139 HydrophobicContact CB-CE2 4.49Å; W103-F139 HydrophobicContact CB-CZ 4.41Å; W103-F139 HydrophobicContact CD2-CD2 4.19Å; W103-F139 AromaticContact CD2-CE2 3.37Å; W103-F139 HydrophobicContact CD2-CE2 3.37Å; W103-F139 HydrophobicContact CD2-CZ 4.01Å; W103-F139 AromaticContact CE2-CD2 3.87Å; W103-F139 AromaticContact CE2-CE2 3.47Å; W103-F139 VanDerWaalsContact CE2-CE2 3.47Å; W103-F139 AromaticContact CE3-CE2 3.75Å; W103-F139 HydrophobicContact CE3-CE2 3.75Å; W103-F139 HydrophobicContact CE3-CZ 4.2Å; W103-F139 HydrophobicContact CG-CD2 4.38Å; W103-F139 AromaticContact CG-CE2 3.72Å; W103-F139 HydrophobicContact CG-CE2 3.72Å; W103-F139 HydrophobicContact CG-CZ 4.11Å; W103-F139 HydrophobicContact CH2-CE2 4.26Å; W103-F139 HydrophobicContact CZ2-CD2 4.28Å; W103-F139 AromaticContact CZ2-CE2 3.93Å; W103-F139 HydrophobicContact CZ2-CE2 3.93Å; W103-F139 HydrophobicContact CZ3-CE2 4.17Å; W103-F139 AromaticContact NE1-CD2 3.85Å; W103-F139 AromaticContact NE1-CE2 3.81Å; C125-F139 CarbonylContact C-O 3.58Å; C125-F139 WeakPolarHBondContact CA-O 3.43Å; I126-F139 HydrophobicContact CB-CD2 4.49Å; I126-F139 HydrophobicContact CB-CE1 4.08Å; I126-F139 HydrophobicContact CB-CE2 3.95Å; I126-F139 HydrophobicContact CB-CZ 3.74Å; I126-F139 HydrophobicContact CD1-CE2 4.01Å; I126-F139 HydrophobicContact CD1-CZ 4.32Å; I126-F139 HydrophobicContact CG2-CE1 3.93Å; I126-F139 HydrophobicContact CG2-CE2 4.3Å; I126-F139 HydrophobicContact CG2-CZ 3.62Å; I126-F139 PolarHBondContact N-O 2.87Å; I126-F139 PolarHBondContact O-N 2.73Å; I128-F139 HydrophobicContact CD1-CE1 3.64Å; I128-F139 HydrophobicContact CD1-CZ 4.26Å; I128-F139 HydrophobicContact CG1-CE1 3.97Å; K137-F139 HydrophobicContact CG-CD1 3.97Å; F139-V167 HydrophobicContact CZ-CG1 4.49Å
140S96.1Very high94.5Very high45 Ų4563.5 Ų63.532%0.31531%0.312SS..EExtended strand (participates in β ladder)trans-92.5177174.6710000111.5P142 D145S140-P142 WeakPolarHBondContact O-CD 3.4Å; S140-D145 WeakPolarHBondContact CB-OD2 3.27Å; S140-D145 PolarHBondContact OG-OD2 2.9Å
141V95.9Very high94.4Very high1 Ų164.2 Ų64.21%0.00632%0.315CS..  trans-111.992.2172.1-1730000107.9F101 W103 I126 D143 L144 D145 L151F101-V141 HydrophobicContact CD2-CG1 3.71Å; F101-V141 HydrophobicContact CE2-CG1 3.83Å; F101-V141 HydrophobicContact CG-CG1 4.46Å; W103-V141 HydrophobicContact CH2-CB 4.36Å; W103-V141 HydrophobicContact CH2-CG1 3.99Å; W103-V141 HydrophobicContact CH2-CG2 3.62Å; W103-V141 HydrophobicContact CZ2-CB 4.49Å; W103-V141 HydrophobicContact CZ2-CG1 4.23Å; W103-V141 HydrophobicContact CZ2-CG2 4.02Å; I126-V141 HydrophobicContact CD1-CG2 3.71Å; I126-V141 HydrophobicContact CG1-CG2 4.46Å; V141-D143 PolarHBondContact O-N 3.39Å; V141-L144 HydrophobicContact CB-CB 4.31Å; V141-L144 HydrophobicContact CB-CD1 3.92Å; V141-L144 HydrophobicContact CB-CG 4.1Å; V141-L144 HydrophobicContact CG1-CB 4.32Å; V141-L144 HydrophobicContact CG1-CD1 3.86Å; V141-L144 HydrophobicContact CG1-CG 3.74Å; V141-L144 HydrophobicContact CG2-CD1 4.37Å; V141-L144 PolarHBondContact O-N 2.87Å; V141-D145 PolarHBondContact O-N 3.16Å; V141-D145 VanDerWaalsContact O-N 3.16Å; V141-L151 HydrophobicContact CG2-CD2 4Å
142P94.9Very high94.2Very high31 Ų3162.9 Ų62.920%0.20130%0.304CS..Hα-helixtrans-53.9-35.1-170-3035.7000114.3S140 D145 R146S140-P142 WeakPolarHBondContact O-CD 3.4Å; P142-D145 PolarHBondContact O-N 3.47Å; P142-R146 WeakPolarHBondContact O-CB 3.46Å; P142-R146 VanDerWaalsContact O-CG 3.27Å; P142-R146 WeakPolarHBondContact O-CG 3.39Å; P142-R146 PolarHBondContact O-N 2.75Å
143D94.7Very high94.1Very high7 Ų761.8 Ų61.84%0.03731%0.308CS..Hα-helixtrans-67.9-36-178.7-54.9-100.9000112.4R50 R94 F101 V141 S147 I175R50-D143 IonicContact CZ-OD1 2.74Å; R50-D143 IonicContact NH1-OD1 3.47Å; R50-D143 PolarHBondContact NH1-OD1 3.24Å; R50-D143 IonicContact NH1-OD2 2.66Å; R50-D143 IonicContact NH2-OD1 3.18Å; R94-D143 IonicContact CZ-OD2 2.8Å; R94-D143 IonicContact NH1-OD2 3.51Å; R94-D143 PolarHBondContact NH1-OD2 3.25Å; R94-D143 IonicContact NH2-OD1 3.96Å; R94-D143 IonicContact NH2-OD2 3.07Å; R94-D143 PolarHBondContact NH2-OD2 3.48Å; F101-D143 HydrophobicContact CE1-CB 4.07Å; F101-D143 HydrophobicContact CE2-CB 4.3Å; F101-D143 HydrophobicContact CZ-CB 3.55Å; V141-D143 PolarHBondContact O-N 3.39Å; D143-S147 WeakPolarHBondContact O-CB 3.47Å; D143-S147 PolarHBondContact O-N 3.39Å; D143-S147 VanDerWaalsContact O-N 3.12Å; D143-S147 PolarHBondContact O-OG 3.04Å; D143-I175 HydrophobicContact CB-CD1 4.26Å
144L94.8Very high94.2Very high0 Ų057.4 Ų57.40%030%0.302CS..Hα-helixtrans-72-36.7173.2-61.4179.6000111.1F101 R124 V141 S147 Q148 L149 L151 Y169 P172 I175F101-L144 HydrophobicContact CE2-CD2 4.49Å; F101-L144 HydrophobicContact CE2-CG 4.46Å; R124-L144 PolarHBondContact NH2-O 3.33Å; V141-L144 HydrophobicContact CB-CB 4.31Å; V141-L144 HydrophobicContact CB-CD1 3.92Å; V141-L144 HydrophobicContact CB-CG 4.1Å; V141-L144 HydrophobicContact CG1-CB 4.32Å; V141-L144 HydrophobicContact CG1-CD1 3.86Å; V141-L144 HydrophobicContact CG1-CG 3.74Å; V141-L144 HydrophobicContact CG2-CD1 4.37Å; V141-L144 PolarHBondContact O-N 2.87Å; L144-S147 CarbonylContact O-C 3.57Å; L144-S147 PolarHBondContact O-N 2.74Å; L144-Q148 CarbonylContact O-C 3.51Å; L144-Q148 WeakPolarHBondContact O-CA 3.43Å; L144-Q148 PolarHBondContact O-N 2.91Å; L144-L149 HydrophobicContact CB-CB 4.37Å; L144-L149 HydrophobicContact CD2-CB 3.91Å; L144-L149 HydrophobicContact CD2-CD1 3.97Å; L144-L149 PolarHBondContact O-N 2.66Å; L144-L151 HydrophobicContact CD1-CD2 3.56Å; L144-Y169 HydrophobicContact CD1-CD1 4.4Å; L144-Y169 HydrophobicContact CD1-CE1 3.66Å; L144-P172 HydrophobicContact CD2-CG 3.68Å; L144-I175 HydrophobicContact CD2-CD1 4.45Å; L144-I175 HydrophobicContact CD2-CG1 4.02Å
145D93.8Very high94.4Very high42 Ų4251.1 Ų51.123%0.22528%0.278CS..Hα-helixtrans-67.1-44.9176.6-64.2-29.9000111.5R124 S140 V141 P142 S147 Q148R124-D145 IonicContact CZ-OD1 2.88Å; R124-D145 IonicContact NE-OD1 2.86Å; R124-D145 PolarHBondContact NE-OD1 2.91Å; R124-D145 IonicContact NH2-OD1 2.58Å; R124-D145 PolarHBondContact NH2-OD1 2.82Å; S140-D145 WeakPolarHBondContact CB-OD2 3.27Å; S140-D145 PolarHBondContact OG-OD2 2.9Å; V141-D145 PolarHBondContact O-N 3.16Å; V141-D145 VanDerWaalsContact O-N 3.16Å; P142-D145 PolarHBondContact O-N 3.47Å; D145-S147 PolarHBondContact O-N 3.06Å; D145-Q148 PolarHBondContact O-N 2.82Å; D145-Q148 VanDerWaalsContact O-N 3.14Å; D145-Q148 PolarHBondContact O-NE2 2.93Å
146R92.7Very high94.5Very high55 Ų5551.3 Ų51.321%0.20828%0.281CS..Hα-helixtrans-60.5-36.4174.6-71.8175.4-169.2120.85.5112.3W6 W52 E67 P142W6-R146 HydrophobicContact CB-CB 4.17Å; W6-R146 HydrophobicContact CD2-CB 3.96Å; W6-R146 HydrophobicContact CD2-CG 4.25Å; W6-R146 HydrophobicContact CE3-CB 4.33Å; W6-R146 HydrophobicContact CE3-CG 4.31Å; W6-R146 HydrophobicContact CG-CB 3.85Å; W52-R146 VanDerWaalsContact CZ2-NH2 3.31Å; E67-R146 IonicContact OE1-CZ 2.74Å; E67-R146 IonicContact OE1-NH1 2.83Å; E67-R146 PolarHBondContact OE1-NH1 2.88Å; E67-R146 IonicContact OE1-NH2 3.32Å; E67-R146 IonicContact OE2-CZ 3.63Å; E67-R146 IonicContact OE2-NH1 2.82Å; E67-R146 PolarHBondContact OE2-NH1 2.87Å; E67-R146 IonicContact OE2-NH2 3.53Å; E67-R146 PolarHBondContact OE2-NH2 3.24Å; P142-R146 WeakPolarHBondContact O-CB 3.46Å; P142-R146 VanDerWaalsContact O-CG 3.27Å; P142-R146 WeakPolarHBondContact O-CG 3.39Å; P142-R146 PolarHBondContact O-N 2.75Å
147S91.3Very high94.5Very high28 Ų2847.7 Ų47.720%0.19628%0.277CS..THydrogen-bonded Turntrans-911.1179.7-48.40000113.4D143 L144 D145 L149 I175D143-S147 WeakPolarHBondContact O-CB 3.47Å; D143-S147 PolarHBondContact O-N 3.39Å; D143-S147 VanDerWaalsContact O-N 3.12Å; D143-S147 PolarHBondContact O-OG 3.04Å; L144-S147 CarbonylContact O-C 3.57Å; L144-S147 PolarHBondContact O-N 2.74Å; D145-S147 PolarHBondContact O-N 3.06Å; S147-L149 PolarHBondContact O-N 2.82Å; S147-I175 VanDerWaalsContact OG-CD1 3.28Å; S147-I175 WeakPolarHBondContact OG-CD1 3.28Å
148Q91.3Very high94.6Very high124 Ų12447.5 Ų47.558%0.57927%0.274SS*.THydrogen-bonded Turntrans53.433.2-177.2-59-67.1-5000114.4V3 L144 D145V3-Q148 HydrophobicContact CG1-CG 3.97Å; L144-Q148 CarbonylContact O-C 3.51Å; L144-Q148 WeakPolarHBondContact O-CA 3.43Å; L144-Q148 PolarHBondContact O-N 2.91Å; D145-Q148 PolarHBondContact O-N 2.82Å; D145-Q148 VanDerWaalsContact O-N 3.14Å; D145-Q148 PolarHBondContact O-NE2 2.93Å
149L92.6Very high94.6Very high30 Ų3047.2 Ų47.216%0.15728%0.28CS..PPolyproline II helixtrans-89140179.6-64.4173.3000110.6R124 L144 S147 P172 E174 I175R124-L149 VanDerWaalsContact CZ-O 3.32Å; R124-L149 PolarHBondContact NH1-O 2.88Å; R124-L149 VanDerWaalsContact NH1-O 3.11Å; R124-L149 PolarHBondContact NH2-O 2.93Å; L144-L149 HydrophobicContact CB-CB 4.37Å; L144-L149 HydrophobicContact CD2-CB 3.91Å; L144-L149 HydrophobicContact CD2-CD1 3.97Å; L144-L149 PolarHBondContact O-N 2.66Å; S147-L149 PolarHBondContact O-N 2.82Å; L149-P172 HydrophobicContact CD1-CG 3.81Å; L149-E174 HydrophobicContact CD1-CB 3.87Å; L149-E174 HydrophobicContact CD2-CB 4.31Å; L149-E174 HydrophobicContact CD2-CG 4.23Å; L149-I175 HydrophobicContact CD1-CD1 3.95Å; L149-I175 HydrophobicContact CD1-CG1 3.78Å
150P93.3Very high94.6Very high96 Ų9648 Ų4862%0.62328%0.284SS*.PPolyproline II helixtrans-68.1156.9175.429.8-34.6000111.8
151L93.2Very high94.5Very high24 Ų2448.6 Ų48.613%0.12629%0.291CS..PPolyproline II helixtrans-77.3136168.1-76.9175.9000110.1M119 V141 L144 Y169M119-L151 HydrophobicContact CE-CB 3.79Å; M119-L151 HydrophobicContact SD-CB 4.43Å; V141-L151 HydrophobicContact CG2-CD2 4Å; L144-L151 HydrophobicContact CD1-CD2 3.56Å; L151-Y169 HydrophobicContact CD2-CE2 3.87Å
152D93Very high94.3Very high81 Ų8155.9 Ų55.943%0.43333%0.33SS..  trans-116.4119.8177.1179.8-2.4000110.4M119 S154 A155 Y169M119-D152 VanDerWaalsContact CE-O 3.29Å; M119-D152 WeakPolarHBondContact CE-O 3.26Å; D152-S154 PolarHBondContact O-N 3.39Å; D152-S154 WeakPolarHBondContact OD1-CB 3.37Å; D152-S154 PolarHBondContact OD1-N 3.12Å; D152-S154 PolarHBondContact OD1-OG 3.22Å; D152-S154 PolarHBondContact OD2-OG 3.29Å; D152-A155 HydrophobicContact CB-CB 4.37Å; D152-A155 PolarHBondContact O-N 2.96Å; D152-Y169 PolarHBondContact N-OH 3.41Å; D152-Y169 WeakPolarHBondContact O-CE2 3.47Å
153G91.6Very high94.3Very high42 Ų4258.5 Ų58.543%0.43334%0.342SS..G310 helixtrans-64.3-29-178.700000113.4M119 A155 L156M119-G153 VanDerWaalsContact CE-CA 3.44Å; M119-G153 VanDerWaalsContact CE-N 3.34Å; M119-G153 WeakPolarHBondContact SD-CA 3.32Å; M119-G153 PolarHBondContact SD-N 2.85Å; G153-A155 VanDerWaalsContact C-N 3.26Å; G153-A155 PolarHBondContact O-N 2.9Å; G153-L156 PolarHBondContact O-N 3Å
154S94.6Very high94.3Very high103 Ų10359.6 Ų59.672%0.7235%0.349SS*.G310 helixtrans-71.1-23.9179.974.30000112.8D152 L156D152-S154 PolarHBondContact O-N 3.39Å; D152-S154 WeakPolarHBondContact OD1-CB 3.37Å; D152-S154 PolarHBondContact OD1-N 3.12Å; D152-S154 PolarHBondContact OD1-OG 3.22Å; D152-S154 PolarHBondContact OD2-OG 3.29Å; S154-L156 VanDerWaalsContact C-N 3.33Å
155A96.1Very high94.5Very high18 Ų1859.6 Ų59.615%0.14935%0.349CS..G310 helixtrans-80.8-13.9177.700000113.2D152 G153 Y169 Q170D152-A155 HydrophobicContact CB-CB 4.37Å; D152-A155 PolarHBondContact O-N 2.96Å; G153-A155 VanDerWaalsContact C-N 3.26Å; G153-A155 PolarHBondContact O-N 2.9Å; A155-Y169 HydrophobicContact CB-CD1 4.41Å; A155-Y169 HydrophobicContact CB-CD2 4.36Å; A155-Y169 HydrophobicContact CB-CE1 4.05Å; A155-Y169 HydrophobicContact CB-CE2 4.01Å; A155-Y169 WeakPolarHBondContact O-CA 3.4Å; A155-Q170 HydrophobicContact CB-CB 4.01Å; A155-Q170 PolarHBondContact O-N 3.16Å
156L97.4Very high94.6Very high30 Ų3059.4 Ų59.416%0.15735%0.348CS..EExtended strand (participates in β ladder)trans-90.8126.7-175.7-175.764.3000111.1V117 M119 I126 G153 S154 V167 Y169V117-L156 HydrophobicContact CG1-CD1 4.42Å; V117-L156 HydrophobicContact CG1-CD2 4.17Å; V117-L156 HydrophobicContact CG1-CG 4.46Å; M119-L156 HydrophobicContact CB-CD2 4.44Å; I126-L156 HydrophobicContact CD1-CD1 3.97Å; I126-L156 HydrophobicContact CG1-CD1 4.49Å; I126-L156 HydrophobicContact CG2-CD1 4.34Å; I126-L156 HydrophobicContact CG2-CD2 4.34Å; G153-L156 PolarHBondContact O-N 3Å; S154-L156 VanDerWaalsContact C-N 3.33Å; L156-V167 HydrophobicContact CD1-CG1 3.7Å; L156-Y169 HydrophobicContact CB-CD2 4.3Å; L156-Y169 HydrophobicContact CD1-CD2 4.29Å
157S97.3Very high94.9Very high69 Ų6956.8 Ų56.848%0.48334%0.338SS..EExtended strand (participates in β ladder)trans-141.6161.4174.661.10000110.7S168S157-S168 PolarHBondContact N-O 3.33Å; S157-S168 PolarHBondContact O-N 3.06Å; S157-S168 VanDerWaalsContact O-O 3.08Å
158Y97.9Very high95.2Very high70 Ų7056.2 Ų56.228%0.27533%0.334SS..EExtended strand (participates in β ladder)trans-146.9151.8173.175.7-84.7000112.6K112 F115 V117 L165 I166K112-Y158 HydrophobicContact CG-CE2 4.17Å; F115-Y158 HydrophobicContact CB-CE2 4.3Å; F115-Y158 PolarHBondContact O-OH 3.27Å; V117-Y158 HydrophobicContact CB-CD1 3.69Å; V117-Y158 HydrophobicContact CB-CE1 4.14Å; V117-Y158 HydrophobicContact CB-CG 4.14Å; V117-Y158 HydrophobicContact CG2-CD1 3.66Å; V117-Y158 HydrophobicContact CG2-CD2 4.07Å; V117-Y158 HydrophobicContact CG2-CE1 4.13Å; V117-Y158 HydrophobicContact CG2-CE2 4.5Å; V117-Y158 HydrophobicContact CG2-CG 3.62Å; Y158-L165 HydrophobicContact CD2-CD1 3.62Å; Y158-L165 HydrophobicContact CE2-CD1 4.34Å; Y158-L165 HydrophobicContact CG-CD1 4.42Å; Y158-I166 CarbonylContact C-O 3.57Å; Y158-I166 WeakPolarHBondContact CA-O 3.22Å
159T96.8Very high95.5Very high75 Ų7550.5 Ų50.546%0.4631%0.307SS..EExtended strand (participates in β ladder)trans-133.1156.6172.658.30000109.2I166T159-I166 PolarHBondContact N-O 2.83Å; T159-I166 PolarHBondContact O-N 3.12Å
160H96.6Very high95.8Very high37 Ų3753.3 Ų53.317%0.17132%0.319CS..EExtended strand (participates in β ladder)trans-135.7128.5175.1176.8-86.9000108.9L108 Y110 K112 F115 T164 L165L108-H160 PolarHBondContact O-NE2 3.39Å; Y110-H160 PolarHBondContact O-CE1 3.34Å; Y110-H160 PolarHBondContact O-NE2 2.74Å; K112-H160 HydrophobicContact CB-CB 4.22Å; K112-H160 HydrophobicContact CG-CB 4.17Å; F115-H160 HydrophobicContact CE2-CB 4.39Å; F115-H160 AromaticContact CE2-CD2 3.36Å; F115-H160 WeakPolarHBondContact CE2-CD2 3.4Å; F115-H160 AromaticContact CE2-CG 3.79Å; F115-H160 AromaticContact CE2-NE2 3.64Å; F115-H160 AromaticContact CZ-CD2 3.75Å; F115-H160 AromaticContact CZ-NE2 3.84Å; H160-T164 WeakPolarHBondContact CA-O 3.4Å; H160-L165 HydrophobicContact CB-CD1 4.12Å
161A94.6Very high96Very high57 Ų5749.4 Ų49.447%0.47129%0.292SS..EExtended strand (participates in β ladder)trans-158.4152.1176.200000109.3N163 T164A161-N163 VanDerWaalsContact C-N 3.31Å; A161-N163 PolarHBondContact O-N 3.34Å; A161-T164 PolarHBondContact N-O 3.4Å; A161-T164 VanDerWaalsContact N-O 3.09Å; A161-T164 WeakPolarHBondContact O-CA 3.31Å; A161-T164 WeakPolarHBondContact O-CB 3.47Å; A161-T164 PolarHBondContact O-N 2.81Å; A161-T164 VanDerWaalsContact O-O 3.1Å
162N93Very high96.1Very high155 Ų15549.9 Ų49.983%0.82930%0.297SS*.THydrogen-bonded Turntrans49.948.6175-56.7-36.3000113.1T164N162-T164 PolarHBondContact O-N 3.31Å; N162-T164 PolarHBondContact O-OG1 2.94Å; N162-T164 VanDerWaalsContact O-OG1 3.12Å
163N93.9Very high96.3Very high86 Ų8654.2 Ų54.246%0.4631%0.312SS..THydrogen-bonded Turntrans53.226.3-176.6-59.4-24.4000114.2R106 N107 L108 P109 A161R106-N163 CarbonylContact C-O 3.53Å; N107-N163 PolarHBondContact N-O 2.84Å; L108-N163 PolarHBondContact N-O 3.1Å; P109-N163 WeakPolarHBondContact CA-OD1 3.45Å; A161-N163 VanDerWaalsContact C-N 3.31Å; A161-N163 PolarHBondContact O-N 3.34Å
164T95.5Very high96.5Very high29 Ų2957.7 Ų57.718%0.17832%0.317CS..EExtended strand (participates in β ladder)trans-127.9119.7-177.7-56.80000109.9R104 I105 R106 H160 A161 N162 I166R104-T164 HydrophobicContact CB-CG2 4.31Å; I105-T164 CarbonylContact O-C 3.58Å; I105-T164 VanDerWaalsContact O-CA 3.3Å; I105-T164 WeakPolarHBondContact O-CA 3.36Å; R106-T164 HydrophobicContact CG-CG2 4.1Å; H160-T164 WeakPolarHBondContact CA-O 3.4Å; A161-T164 PolarHBondContact N-O 3.4Å; A161-T164 VanDerWaalsContact N-O 3.09Å; A161-T164 WeakPolarHBondContact O-CA 3.31Å; A161-T164 WeakPolarHBondContact O-CB 3.47Å; A161-T164 PolarHBondContact O-N 2.81Å; A161-T164 VanDerWaalsContact O-O 3.1Å; N162-T164 PolarHBondContact O-N 3.31Å; N162-T164 PolarHBondContact O-OG1 2.94Å; N162-T164 VanDerWaalsContact O-OG1 3.12Å; T164-I166 HydrophobicContact CG2-CG1 4.11Å
165L97.3Very high96.5Very high0 Ų053 Ų530%028%0.284CS..EExtended strand (participates in β ladder)trans-86.1123.3168.8-176.969.7000108.5R104 I105 L108 F115 V117 I128 Y158 H160 V167R104-L165 WeakPolarHBondContact CA-O 3.35Å; I105-L165 HydrophobicContact CB-CB 4.34Å; I105-L165 HydrophobicContact CD1-CB 4.43Å; I105-L165 HydrophobicContact CD1-CD2 4.34Å; I105-L165 HydrophobicContact CD1-CG 4.49Å; I105-L165 PolarHBondContact N-O 3.21Å; I105-L165 PolarHBondContact O-N 3.25Å; L108-L165 HydrophobicContact CD1-CB 3.89Å; L108-L165 HydrophobicContact CD1-CD2 4.36Å; F115-L165 HydrophobicContact CB-CD1 4.39Å; F115-L165 HydrophobicContact CD1-CD1 4.5Å; F115-L165 HydrophobicContact CD1-CD2 4Å; F115-L165 HydrophobicContact CD2-CD1 4.25Å; F115-L165 HydrophobicContact CE1-CD2 4.45Å; F115-L165 HydrophobicContact CG-CD1 4.12Å; F115-L165 HydrophobicContact CG-CD2 4.36Å; V117-L165 HydrophobicContact CG2-CD2 4.43Å; I128-L165 HydrophobicContact CD1-CD2 4.2Å; I128-L165 HydrophobicContact CG2-CD2 3.54Å; Y158-L165 HydrophobicContact CD2-CD1 3.62Å; Y158-L165 HydrophobicContact CE2-CD1 4.34Å; Y158-L165 HydrophobicContact CG-CD1 4.42Å; H160-L165 HydrophobicContact CB-CD1 4.12Å; L165-V167 HydrophobicContact CD2-CG2 4.19Å; L165-V167 HydrophobicContact CG-CG2 4.17Å
166I97.3Very high96.5Very high39 Ų3954.4 Ų54.420%0.229%0.289CS..EExtended strand (participates in β ladder)trans-110.1107.3175-53.5178.1000107.5Q102 W103 R104 Y158 T159 T164Q102-I166 HydrophobicContact CB-CG2 4.43Å; W103-I166 WeakPolarHBondContact O-CA 3.28Å; R104-I166 HydrophobicContact CG-CG1 4.34Å; R104-I166 HydrophobicContact CG-CG2 4.48Å; Y158-I166 CarbonylContact C-O 3.57Å; Y158-I166 WeakPolarHBondContact CA-O 3.22Å; T159-I166 PolarHBondContact N-O 2.83Å; T159-I166 PolarHBondContact O-N 3.12Å; T164-I166 HydrophobicContact CG2-CG1 4.11Å
167V98.1Very high96.4Very high0 Ų055.6 Ų55.60%030%0.303CS..EExtended strand (participates in β ladder)trans-92.5124.5171.2-1790000107.9Q102 W103 I105 V117 I126 I128 F139 L156 L165Q102-V167 CarbonylContact C-O 3.57Å; Q102-V167 VanDerWaalsContact CA-O 3.29Å; Q102-V167 WeakPolarHBondContact CA-O 3.38Å; W103-V167 HydrophobicContact CE3-CG1 4.33Å; W103-V167 PolarHBondContact N-O 3.33Å; W103-V167 PolarHBondContact O-N 3.08Å; I105-V167 HydrophobicContact CD1-CG2 4.29Å; V117-V167 HydrophobicContact CG1-CG1 3.96Å; V117-V167 HydrophobicContact CG1-CG2 4.15Å; V117-V167 HydrophobicContact CG2-CG2 4.15Å; I126-V167 HydrophobicContact CG2-CG1 4.47Å; I128-V167 HydrophobicContact CD1-CG2 3.72Å; I128-V167 HydrophobicContact CG1-CG2 4.13Å; F139-V167 HydrophobicContact CZ-CG1 4.49Å; L156-V167 HydrophobicContact CD1-CG1 3.7Å; L165-V167 HydrophobicContact CD2-CG2 4.19Å; L165-V167 HydrophobicContact CG-CG2 4.17Å
168S98.1Very high96.2Very high15 Ų1553.4 Ų53.411%0.10529%0.285CS..EExtended strand (participates in β ladder)trans-119.3133.9-179.4-60.10000110F101 Q102 S157F101-S168 WeakPolarHBondContact O-CA 3.45Å; Q102-S168 PolarHBondContact NE2-OG 3.31Å; S157-S168 PolarHBondContact N-O 3.33Å; S157-S168 PolarHBondContact O-N 3.06Å; S157-S168 VanDerWaalsContact O-O 3.08Å
169Y98.1Very high96Very high4 Ų452.3 Ų52.32%0.01628%0.283CS..EExtended strand (participates in β ladder)trans-121119.5172.2-172.5-79.9000109S100 F101 M119 I126 L144 L151 D152 A155 L156 K171S100-Y169 CarbonylContact C-O 3.52Å; S100-Y169 VanDerWaalsContact CA-O 3.23Å; S100-Y169 WeakPolarHBondContact CA-O 3.32Å; S100-Y169 WeakPolarHBondContact CB-O 3.24Å; F101-Y169 HydrophobicContact CD2-CD1 4.02Å; F101-Y169 PolarHBondContact N-O 3.27Å; F101-Y169 PolarHBondContact O-N 2.99Å; M119-Y169 HydrophobicContact CE-CE2 4.29Å; I126-Y169 HydrophobicContact CD1-CD2 4.31Å; L144-Y169 HydrophobicContact CD1-CD1 4.4Å; L144-Y169 HydrophobicContact CD1-CE1 3.66Å; L151-Y169 HydrophobicContact CD2-CE2 3.87Å; D152-Y169 PolarHBondContact N-OH 3.41Å; D152-Y169 WeakPolarHBondContact O-CE2 3.47Å; A155-Y169 HydrophobicContact CB-CD1 4.41Å; A155-Y169 HydrophobicContact CB-CD2 4.36Å; A155-Y169 HydrophobicContact CB-CE1 4.05Å; A155-Y169 HydrophobicContact CB-CE2 4.01Å; A155-Y169 WeakPolarHBondContact O-CA 3.4Å; L156-Y169 HydrophobicContact CB-CD2 4.3Å; L156-Y169 HydrophobicContact CD1-CD2 4.29Å; Y169-K171 PolarHBondContact O-N 3.49Å
170Q98.1Very high95.9Very high90 Ų9054.5 Ų54.542%0.42129%0.288SS..EExtended strand (participates in β ladder)trans-65.8127.8179.8-169.968.9-1.200110.5T99 S100 A155T99-Q170 VanDerWaalsContact O-CD 3.31Å; T99-Q170 PolarHBondContact O-OE1 3.36Å; S100-Q170 PolarHBondContact OG-OE1 3.1Å; A155-Q170 HydrophobicContact CB-CB 4.01Å; A155-Q170 PolarHBondContact O-N 3.16Å
171K97.4Very high95.8Very high13 Ų1356.8 Ų56.86%0.05730%0.299CS..PPolyproline II helixtrans-66.8129.8179.2-64.6-177.3-170.1-171.10109.2T97 T99 F101 Y169 I175 L176 E179T97-K171 VanDerWaalsContact O-CE 3.25Å; T97-K171 WeakPolarHBondContact O-CE 3.06Å; T97-K171 PolarHBondContact O-NZ 2.88Å; T97-K171 VanDerWaalsContact O-NZ 3.08Å; T99-K171 WeakPolarHBondContact O-CB 3.45Å; T99-K171 PolarHBondContact O-N 3.38Å; F101-K171 HydrophobicContact CD1-CD 4.25Å; F101-K171 HydrophobicContact CD1-CG 4.05Å; F101-K171 HydrophobicContact CD2-CG 4.14Å; F101-K171 HydrophobicContact CE1-CD 3.92Å; F101-K171 HydrophobicContact CE1-CG 3.9Å; F101-K171 HydrophobicContact CE2-CG 3.97Å; F101-K171 HydrophobicContact CG-CG 4.21Å; F101-K171 HydrophobicContact CZ-CD 4.25Å; F101-K171 HydrophobicContact CZ-CG 3.88Å; Y169-K171 PolarHBondContact O-N 3.49Å; K171-I175 HydrophobicContact CB-CG2 4.24Å; K171-I175 HydrophobicContact CD-CG2 4.06Å; K171-I175 HydrophobicContact CG-CG2 4.3Å; K171-L176 HydrophobicContact CB-CD2 3.87Å; K171-L176 HydrophobicContact CB-CG 3.97Å; K171-L176 HydrophobicContact CD-CD2 3.85Å; K171-L176 HydrophobicContact CG-CD2 4.49Å; K171-E179 IonicContact NZ-OE1 2.68Å; K171-E179 PolarHBondContact NZ-OE1 2.97Å; K171-E179 IonicContact NZ-OE2 2.68Å; K171-E179 PolarHBondContact NZ-OE2 2.82Å
172P96.8Very high95.7Very high34 Ų3454.3 Ų54.322%0.22128%0.278CS..PPolyproline II helixtrans-69.6160.6172.532.3-35.6000110L144 L149 E174 I175 L176L144-P172 HydrophobicContact CD2-CG 3.68Å; L149-P172 HydrophobicContact CD1-CG 3.81Å; P172-E174 WeakPolarHBondContact CB-OE2 3.33Å; P172-E174 PolarHBondContact O-N 2.89Å; P172-I175 HydrophobicContact CG-CB 4.2Å; P172-I175 HydrophobicContact CG-CG1 3.69Å; P172-I175 PolarHBondContact O-N 3.03Å; P172-I175 VanDerWaalsContact O-N 3.12Å; P172-L176 PolarHBondContact O-N 3.13Å
173K96.1Very high95.6Very high173 Ų17348.5 Ų48.575%0.75225%0.246SC*.Hα-helixtrans-61.3-33.2-172-67.2178.8-178.5174.80112.2L176 A177K173-L176 PolarHBondContact O-N 2.94Å; K173-A177 WeakPolarHBondContact O-CB 3.47Å; K173-A177 PolarHBondContact O-N 2.86Å
174E94.9Very high95.6Very high115 Ų11551 Ų5154%0.53725%0.253SS..Hα-helixtrans-60.6-45177.7-63.681.9175.300111.1L149 P172 A177 L178L149-E174 HydrophobicContact CD1-CB 3.87Å; L149-E174 HydrophobicContact CD2-CB 4.31Å; L149-E174 HydrophobicContact CD2-CG 4.23Å; P172-E174 WeakPolarHBondContact CB-OE2 3.33Å; P172-E174 PolarHBondContact O-N 2.89Å; E174-A177 PolarHBondContact O-N 3.18Å; E174-L178 WeakPolarHBondContact O-CB 3.46Å; E174-L178 PolarHBondContact O-N 2.85Å
175I95.6Very high95.4Very high4 Ų451.4 Ų51.42%0.02125%0.253CS..Hα-helixtrans-66.3-44175.3-67-62.9000110.5F101 D143 L144 S147 L149 K171 P172 A177 L178 E179F101-I175 HydrophobicContact CE1-CG2 4.3Å; F101-I175 HydrophobicContact CZ-CG1 4.46Å; F101-I175 HydrophobicContact CZ-CG2 3.68Å; D143-I175 HydrophobicContact CB-CD1 4.26Å; L144-I175 HydrophobicContact CD2-CD1 4.45Å; L144-I175 HydrophobicContact CD2-CG1 4.02Å; S147-I175 VanDerWaalsContact OG-CD1 3.28Å; S147-I175 WeakPolarHBondContact OG-CD1 3.28Å; L149-I175 HydrophobicContact CD1-CD1 3.95Å; L149-I175 HydrophobicContact CD1-CG1 3.78Å; K171-I175 HydrophobicContact CB-CG2 4.24Å; K171-I175 HydrophobicContact CD-CG2 4.06Å; K171-I175 HydrophobicContact CG-CG2 4.3Å; P172-I175 HydrophobicContact CG-CB 4.2Å; P172-I175 HydrophobicContact CG-CG1 3.69Å; P172-I175 PolarHBondContact O-N 3.03Å; P172-I175 VanDerWaalsContact O-N 3.12Å; I175-A177 VanDerWaalsContact C-N 3.32Å; I175-A177 PolarHBondContact O-N 3.08Å; I175-L178 WeakPolarHBondContact O-CB 3.04Å; I175-L178 PolarHBondContact O-N 2.8Å; I175-E179 HydrophobicContact CG2-CG 4.24Å; I175-E179 WeakPolarHBondContact O-CG 3.47Å; I175-E179 PolarHBondContact O-N 2.79Å
176L95.8Very high95.1Very high48 Ų4851.4 Ų51.425%0.25125%0.253SS..Hα-helixtrans-61.4-41.7179.5-66.8173.4000111.7K98 K171 P172 K173 Q180K98-L176 VanDerWaalsContact O-CD2 3.22Å; K98-L176 WeakPolarHBondContact O-CD2 3.31Å; K171-L176 HydrophobicContact CB-CD2 3.87Å; K171-L176 HydrophobicContact CB-CG 3.97Å; K171-L176 HydrophobicContact CD-CD2 3.85Å; K171-L176 HydrophobicContact CG-CD2 4.49Å; P172-L176 PolarHBondContact O-N 3.13Å; K173-L176 PolarHBondContact O-N 2.94Å; L176-Q180 WeakPolarHBondContact O-CB 3.44Å; L176-Q180 VanDerWaalsContact O-CG 3.23Å; L176-Q180 WeakPolarHBondContact O-CG 3.29Å; L176-Q180 PolarHBondContact O-N 2.69Å
177A95.1Very high94.8Very high55 Ų5554 Ų5446%0.45526%0.263SS..Hα-helixtrans-64-43.6175.400000111.6K173 E174 I175 Q180 E181K173-A177 WeakPolarHBondContact O-CB 3.47Å; K173-A177 PolarHBondContact O-N 2.86Å; E174-A177 PolarHBondContact O-N 3.18Å; I175-A177 VanDerWaalsContact C-N 3.32Å; I175-A177 PolarHBondContact O-N 3.08Å; A177-Q180 PolarHBondContact O-N 3.11Å; A177-E181 WeakPolarHBondContact O-CB 3.27Å; A177-E181 PolarHBondContact O-N 2.92Å
178L94.1Very high94.4Very high22 Ų2262.1 Ų62.112%0.11530%0.298CS..Hα-helixtrans-60.3-48.9176.3-173.4155.7000111.6W6 I7 E174 I175 Q180 E181 L182W6-L178 HydrophobicContact CB-CD1 4.36Å; W6-L178 HydrophobicContact CG-CD1 4.49Å; I7-L178 HydrophobicContact CB-CD1 4.18Å; I7-L178 HydrophobicContact CB-CG 4.18Å; I7-L178 HydrophobicContact CD1-CD2 4.32Å; I7-L178 HydrophobicContact CD1-CG 4.15Å; E174-L178 WeakPolarHBondContact O-CB 3.46Å; E174-L178 PolarHBondContact O-N 2.85Å; I175-L178 WeakPolarHBondContact O-CB 3.04Å; I175-L178 PolarHBondContact O-N 2.8Å; L178-Q180 VanDerWaalsContact C-N 3.33Å; L178-Q180 PolarHBondContact O-N 2.83Å; L178-E181 PolarHBondContact O-N 2.79Å; L178-L182 WeakPolarHBondContact O-CB 3.28Å; L178-L182 PolarHBondContact O-N 3.01Å
179E93.8Very high93.8Very high48 Ų4863.8 Ų63.822%0.22431%0.305CS..Hα-helixtrans-61.2-41.3178.5-73.6-179.1167.600111.6K171 I175 L183K171-E179 IonicContact NZ-OE1 2.68Å; K171-E179 PolarHBondContact NZ-OE1 2.97Å; K171-E179 IonicContact NZ-OE2 2.68Å; K171-E179 PolarHBondContact NZ-OE2 2.82Å; I175-E179 HydrophobicContact CG2-CG 4.24Å; I175-E179 WeakPolarHBondContact O-CG 3.47Å; I175-E179 PolarHBondContact O-N 2.79Å; E179-L183 VanDerWaalsContact O-CB 3.27Å; E179-L183 WeakPolarHBondContact O-CB 3.26Å; E179-L183 PolarHBondContact O-N 2.86Å
180Q93.8Very high92.8Very high121 Ų12173.2 Ų73.257%0.56535%0.346SS*.Hα-helixtrans-64.3-40.6175.9-75.9177.72.100112.5L176 A177 L178 K184L176-Q180 WeakPolarHBondContact O-CB 3.44Å; L176-Q180 VanDerWaalsContact O-CG 3.23Å; L176-Q180 WeakPolarHBondContact O-CG 3.29Å; L176-Q180 PolarHBondContact O-N 2.69Å; A177-Q180 PolarHBondContact O-N 3.11Å; L178-Q180 VanDerWaalsContact C-N 3.33Å; L178-Q180 PolarHBondContact O-N 2.83Å; Q180-K184 WeakPolarHBondContact O-CG 3.31Å; Q180-K184 PolarHBondContact O-N 2.88Å
181E94.2Very high91.5Very high85 Ų8570.2 Ų70.240%0.39734%0.34SS..Hα-helixtrans-67.6-46.5177.2-174.1173.7-171.600111.6K11 A177 L178 L183 K184 E185K11-E181 WeakPolarHBondContact CE-OE1 3.35Å; K11-E181 IonicContact NZ-OE1 2.91Å; K11-E181 PolarHBondContact NZ-OE1 3.46Å; K11-E181 IonicContact NZ-OE2 3.44Å; A177-E181 WeakPolarHBondContact O-CB 3.27Å; A177-E181 PolarHBondContact O-N 2.92Å; L178-E181 PolarHBondContact O-N 2.79Å; E181-L183 VanDerWaalsContact C-N 3.3Å; E181-L183 PolarHBondContact O-N 3.21Å; E181-K184 WeakPolarHBondContact O-CB 3.44Å; E181-K184 PolarHBondContact O-N 3.17Å; E181-K184 VanDerWaalsContact O-N 3.13Å; E181-E185 PolarHBondContact O-N 2.77Å; E181-E185 VanDerWaalsContact O-N 3.07Å
182L92.6Very high90.3Very high5 Ų572 Ų723%0.02635%0.352CS..Hα-helixtrans-58.3-44.3175.9-179.962.8000111.2I7 L10 L178 K184 E185 V186I7-L182 HydrophobicContact CD1-CB 4.09Å; L10-L182 HydrophobicContact CB-CD1 4.18Å; L10-L182 HydrophobicContact CD1-CD1 3.87Å; L10-L182 HydrophobicContact CD1-CD2 3.75Å; L10-L182 HydrophobicContact CD1-CG 4.36Å; L178-L182 WeakPolarHBondContact O-CB 3.28Å; L178-L182 PolarHBondContact O-N 3.01Å; L182-K184 VanDerWaalsContact C-N 3.28Å; L182-K184 PolarHBondContact O-N 3.18Å; L182-E185 WeakPolarHBondContact O-CB 3.43Å; L182-E185 PolarHBondContact O-N 3.31Å; L182-E185 VanDerWaalsContact O-N 3.07Å; L182-V186 HydrophobicContact CD1-CG2 4.14Å; L182-V186 HydrophobicContact CG-CG2 4.26Å; L182-V186 WeakPolarHBondContact O-CB 3.42Å; L182-V186 WeakPolarHBondContact O-CG2 3.31Å; L182-V186 PolarHBondContact O-N 2.86Å
183L92.1Very high88.4Confident33 Ų3372 Ų7217%0.17336%0.358CS..Hα-helixtrans-60.6-38.9177.9-176.967.5000111.8D45 E179 E181 E185 V186 K187D45-L183 HydrophobicContact CB-CD1 4.04Å; D45-L183 HydrophobicContact CB-CD2 3.62Å; D45-L183 HydrophobicContact CB-CG 4.46Å; E179-L183 VanDerWaalsContact O-CB 3.27Å; E179-L183 WeakPolarHBondContact O-CB 3.26Å; E179-L183 PolarHBondContact O-N 2.86Å; E181-L183 VanDerWaalsContact C-N 3.3Å; E181-L183 PolarHBondContact O-N 3.21Å; L183-E185 VanDerWaalsContact C-N 3.33Å; L183-V186 PolarHBondContact O-N 3.14Å; L183-K187 HydrophobicContact CG-CD 4.3Å; L183-K187 WeakPolarHBondContact O-CB 3.4Å; L183-K187 VanDerWaalsContact O-CG 3.25Å; L183-K187 WeakPolarHBondContact O-CG 3.39Å; L183-K187 PolarHBondContact O-N 3.33Å
184K92.9Very high86Confident139 Ų13970.7 Ų70.760%0.60436%0.355SS*.Hα-helixtrans-63.8-38.7174.4-71.2169.4-174.8173.40111.6Q180 E181 L182 K188Q180-K184 WeakPolarHBondContact O-CG 3.31Å; Q180-K184 PolarHBondContact O-N 2.88Å; E181-K184 WeakPolarHBondContact O-CB 3.44Å; E181-K184 PolarHBondContact O-N 3.17Å; E181-K184 VanDerWaalsContact O-N 3.13Å; L182-K184 VanDerWaalsContact C-N 3.28Å; L182-K184 PolarHBondContact O-N 3.18Å; K184-K188 WeakPolarHBondContact O-CG 3.35Å
185E91.3Very high84.1Confident36 Ų3669 Ų6917%0.16837%0.369CS..Hα-helixtrans-66.8-50.3175.8-174.4-175.8165.200111.3K11 K15 E181 L182 L183 K187 K188K11-E185 WeakPolarHBondContact CG-OE2 3.41Å; K15-E185 WeakPolarHBondContact CE-OE1 3.39Å; K15-E185 IonicContact NZ-OE1 3.64Å; K15-E185 PolarHBondContact NZ-OE1 2.88Å; E181-E185 PolarHBondContact O-N 2.77Å; E181-E185 VanDerWaalsContact O-N 3.07Å; L182-E185 WeakPolarHBondContact O-CB 3.43Å; L182-E185 PolarHBondContact O-N 3.31Å; L182-E185 VanDerWaalsContact O-N 3.07Å; L183-E185 VanDerWaalsContact C-N 3.33Å; E185-K187 PolarHBondContact O-N 2.94Å; E185-K188 WeakPolarHBondContact O-CB 3.41Å; E185-K188 PolarHBondContact O-N 3.35Å
186V90.6Very high81.9Confident0 Ų074.7 Ų74.70%040%0.399CS..Hα-helixtrans-60-33.6179.4165.90000111.7R24 I26 Y28 Y40 L182 L183 K188 L189R24-V186 HydrophobicContact CG-CG1 4.39Å; I26-V186 HydrophobicContact CD1-CG1 3.7Å; I26-V186 HydrophobicContact CG1-CG1 3.53Å; I26-V186 HydrophobicContact CG1-CG2 4.28Å; Y28-V186 WeakPolarHBondContact OH-CG2 3.4Å; Y40-V186 HydrophobicContact CE2-CG1 4.45Å; L182-V186 HydrophobicContact CD1-CG2 4.14Å; L182-V186 HydrophobicContact CG-CG2 4.26Å; L182-V186 WeakPolarHBondContact O-CB 3.42Å; L182-V186 WeakPolarHBondContact O-CG2 3.31Å; L182-V186 PolarHBondContact O-N 2.86Å; L183-V186 PolarHBondContact O-N 3.14Å; V186-K188 VanDerWaalsContact C-N 3.28Å; V186-K188 PolarHBondContact O-N 3.3Å; V186-L189 PolarHBondContact O-N 3.01Å
187K90.6Very high79.8Confident94 Ų9477.4 Ų77.441%0.40942%0.417SS..Hα-helixtrans-66.6-24.2173.4-80.6177.7180-170.20114.1D45 L183 E185D45-K187 WeakPolarHBondContact OD1-CE 3.49Å; D45-K187 IonicContact OD1-NZ 3.72Å; D45-K187 PolarHBondContact OD1-NZ 2.78Å; D45-K187 IonicContact OD2-NZ 3.23Å; D45-K187 PolarHBondContact OD2-NZ 2.84Å; L183-K187 HydrophobicContact CG-CD 4.3Å; L183-K187 WeakPolarHBondContact O-CB 3.4Å; L183-K187 VanDerWaalsContact O-CG 3.25Å; L183-K187 WeakPolarHBondContact O-CG 3.39Å; L183-K187 PolarHBondContact O-N 3.33Å; E185-K187 PolarHBondContact O-N 2.94Å
188K89.8Confident77.4Confident170 Ų17082.3 Ų82.374%0.73944%0.436SS*.Hα-helixtrans-79.9-21.1177.8-65.9168.1-175.3-179.30112.5K184 E185 V186 K190K184-K188 WeakPolarHBondContact O-CG 3.35Å; E185-K188 WeakPolarHBondContact O-CB 3.41Å; E185-K188 PolarHBondContact O-N 3.35Å; V186-K188 VanDerWaalsContact C-N 3.28Å; V186-K188 PolarHBondContact O-N 3.3Å; K188-K190 PolarHBondContact O-N 2.82Å
189L86.8Confident75.1Confident50 Ų5086.4 Ų86.426%0.26247%0.465SS..SBendtrans-66.8122.7177.1-60.2174.8000108.8K15 A17 I26 V186 G191K15-L189 HydrophobicContact CB-CD1 3.97Å; K15-L189 HydrophobicContact CD-CD1 4.05Å; A17-L189 HydrophobicContact CB-CB 3.72Å; A17-L189 HydrophobicContact CB-CD1 4.27Å; I26-L189 HydrophobicContact CD1-CD1 4.08Å; I26-L189 HydrophobicContact CG2-CD1 4.42Å; V186-L189 PolarHBondContact O-N 3.01Å; L189-G191 PolarHBondContact O-N 3.11Å
190K77.4Confident72.8Confident202 Ų20290.1 Ų90.188%0.87849%0.491SS*.  trans-68114.9170.5-66.4-174.4-179.7-177.50107.3K188K188-K190 PolarHBondContact O-N 2.82Å
191G70.3Confident70.3Confident27 Ų2790.7 Ų90.728%0.27850%0.503SS..PPolyproline II helixtrans-75.1129.417200000109.5A17 L189 G193A17-G191 WeakPolarHBondContact O-CA 3.33Å; L189-G191 PolarHBondContact O-N 3.11Å; G191-G193 PolarHBondContact O-N 3.27Å
192T72.9Confident67.5Low52 Ų5299 Ų9932%0.31954%0.542SS..BIsolated β-bridgetrans-62.4129.2164.4-44.40000107.2A17 L18 I19 D196 V197A17-T192 PolarHBondContact O-N 3.21Å; L18-T192 VanDerWaalsContact CD1-O 3.23Å; L18-T192 WeakPolarHBondContact CD1-O 3.44Å; I19-T192 PolarHBondContact N-O 3.41Å; T192-D196 HydrophobicContact CG2-CB 3.6Å; T192-D196 WeakPolarHBondContact CG2-O 3.02Å; T192-V197 HydrophobicContact CG2-CG2 3.91Å
193G56.3Low66.3Low34 Ų34103.7 Ų103.735%0.35157%0.567SS.*PPolyproline II helixtrans-84.7168.9-177.300000112.7G191 G195 D196G191-G193 PolarHBondContact O-N 3.27Å; G193-G195 PolarHBondContact O-N 2.93Å; G193-D196 PolarHBondContact O-N 3.34Å
194E45.9Very low64.9Low144 Ų144107.4 Ų107.467%0.67359%0.588SS**THydrogen-bonded Turntrans-58.8112.1169-74.2-166145.100109.8Q20Q20-E194 HydrophobicContact CG-CG 4.3Å; Q20-E194 WeakPolarHBondContact CG-OE1 3.4Å
195G53.5Low63.3Low81 Ų81105.6 Ų105.684%0.83559%0.587SS**THydrogen-bonded Turntrans117.8-6.1179.300000115.9G193G193-G195 PolarHBondContact O-N 2.93Å
196D49.4Very low61.7Low123 Ų123109.7 Ų109.766%0.65861%0.612SS**  trans-108.422.2-172.9-164.537000113.1T192 G193T192-D196 HydrophobicContact CG2-CB 3.6Å; T192-D196 WeakPolarHBondContact CG2-O 3.02Å; G193-D196 PolarHBondContact O-N 3.34Å
197V52.6Low59.9Low104 Ų104116.6 Ų116.663%0.6365%0.65SS**  trans-120.776.6174.2-164.50000109T192 C199T192-V197 HydrophobicContact CG2-CG2 3.91Å; V197-C199 VanDerWaalsContact C-N 3.3Å; V197-C199 PolarHBondContact O-N 2.58Å
198D44.4Very low57.8Low159 Ų159118.1 Ų118.185%0.8567%0.666SS**  trans-67.493.7163-100.1-38.8000108.2T200D198-T200 VanDerWaalsContact C-N 3.34Å; D198-T200 PolarHBondContact O-N 3.28Å
199C46.7Very low55.6Low107 Ų107114.4 Ų114.472%0.72366%0.661SS**  trans-71.693172.9-150.60000107.7V197 T201V197-C199 VanDerWaalsContact C-N 3.3Å; V197-C199 PolarHBondContact O-N 2.58Å; C199-T201 PolarHBondContact O-N 2.61Å; C199-T201 VanDerWaalsContact O-N 3.08Å
200T44.4Very low53.2Low127 Ų127119.3 Ų119.378%0.77969%0.692SS**  trans-74.397.6169.7-38.80000107.9D198 Q202D198-T200 VanDerWaalsContact C-N 3.34Å; D198-T200 PolarHBondContact O-N 3.28Å; T200-Q202 PolarHBondContact O-N 2.86Å
201T42.2Very low51.1Low132 Ų132112.4 Ų112.481%0.8168%0.676SS**  trans-64.7117.2165.827.30000109.1C199C199-T201 PolarHBondContact O-N 2.61Å; C199-T201 VanDerWaalsContact O-N 3.08Å
202Q35Very low49.4Very low259 Ų259120.2 Ų120.2100%1.2171%0.713SS**  trans-910155.6-83-17111.700109.5T200T200-Q202 PolarHBondContact O-N 2.86Å

Retrieved 202 of 202 residues in 88.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).