A0A096N151_PAPAN Loading...

Trafficking protein particle complex subunit 14

AlphaFold DB , UniProt , Accession A0A096N151, Species PAPAN (Papio anubis, Olive baboon), Gene TRAPPC14, Length 580 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
1M57Low74Confident24 Ų2456.3 Ų56.312%0.11830%0.296CS..  0-19.30-66.8-102.8-73.400113.4S3 Q4 C5 Y7 L50 W72 L75 L79 F209M1-S3 PolarHBondContact O-N 3.39Å; M1-Q4 PolarHBondContact O-N 3.13Å; M1-C5 HydrophobicContact CE-CB 3.89Å; M1-C5 WeakPolarHBondContact CE-SG 3.5Å; M1-C5 PolarHBondContact O-N 3.34Å; M1-C5 HydrophobicContact SD-CB 4.41Å; M1-C5 PolarHBondContact SD-SG 3.3Å; M1-Y7 WeakPolarHBondContact CB-OH 3.11Å; M1-L50 HydrophobicContact CE-CD2 3.77Å; M1-W72 HydrophobicContact CE-CH2 4.28Å; M1-W72 HydrophobicContact CE-CZ3 4.04Å; M1-W72 HydrophobicContact SD-CZ3 4.2Å; M1-L75 HydrophobicContact CE-CD2 4.13Å; M1-L75 HydrophobicContact SD-CD1 4.48Å; M1-L75 HydrophobicContact SD-CD2 3.97Å; M1-L79 HydrophobicContact CE-CD1 4.21Å; M1-F209 HydrophobicContact CB-CE1 3.95Å; M1-F209 HydrophobicContact CB-CE2 3.96Å; M1-F209 HydrophobicContact CB-CZ 3.24Å; M1-F209 HydrophobicContact CG-CD1 4.39Å; M1-F209 HydrophobicContact CG-CD2 4.46Å; M1-F209 HydrophobicContact CG-CE1 3.39Å; M1-F209 HydrophobicContact CG-CE2 3.49Å; M1-F209 VanDerWaalsContact CG-CE2 3.49Å; M1-F209 HydrophobicContact CG-CZ 2.93Å; M1-F209 VanDerWaalsContact N-CE2 3.25Å; M1-F209 VanDerWaalsContact N-CZ 3.34Å
2E53.7Low74.8Confident152 Ų15251.9 Ų51.971%0.7127%0.274SS*.THydrogen-bonded Turntrans-54.6-28.4-179.5-70.2-177.8168.800114.1
3S55.5Low75Confident95 Ų9549.8 Ų49.866%0.66427%0.268SS*.THydrogen-bonded Turntrans-91.2-14.1174.754.90000115.3M1M1-S3 PolarHBondContact O-N 3.39Å
4Q62.3Low75.2Confident119 Ų11950.1 Ų50.156%0.55627%0.272SS*.THydrogen-bonded Turntrans-111.5-16.1-168.6-68.8176.4-10.700113.8M1 R53M1-Q4 PolarHBondContact O-N 3.13Å; Q4-R53 WeakPolarHBondContact O-CB 3.33Å; Q4-R53 PolarHBondContact O-N 3.25Å
5C70.7Confident75.2Confident3 Ų352.2 Ų52.22%0.0229%0.29CS..EExtended strand (participates in β ladder)trans-135.8139.9-178.5-65.50000112.1M1 Y7 R51 W72M1-C5 HydrophobicContact CE-CB 3.89Å; M1-C5 WeakPolarHBondContact CE-SG 3.5Å; M1-C5 PolarHBondContact O-N 3.34Å; M1-C5 HydrophobicContact SD-CB 4.41Å; M1-C5 PolarHBondContact SD-SG 3.3Å; C5-Y7 HydrophobicContact CB-CE2 4.22Å; C5-Y7 WeakPolarHBondContact O-CD2 3.33Å; C5-Y7 VanDerWaalsContact O-CE2 3.32Å; C5-Y7 WeakPolarHBondContact O-CE2 3.05Å; C5-R51 CarbonylContact C-O 3.53Å; C5-R51 WeakPolarHBondContact CA-O 3.39Å; C5-R51 WeakPolarHBondContact CB-O 3.49Å; C5-W72 VanDerWaalsContact SG-CH2 3.53Å; C5-W72 WeakPolarHBondContact SG-CZ3 3.44Å
6D81.6Confident75.1Confident70 Ų7050 Ų5037%0.37428%0.277SS..EExtended strand (participates in β ladder)trans-88.7131.7168.6-67.8-50.4000109.2R51 R53D6-R51 HydrophobicContact CB-CB 4.48Å; D6-R51 PolarHBondContact N-O 3.43Å; D6-R51 PolarHBondContact O-N 3.14Å; D6-R53 VanDerWaalsContact CG-NE 3.34Å; D6-R53 IonicContact OD1-CZ 3.27Å; D6-R53 IonicContact OD1-NE 3.68Å; D6-R53 PolarHBondContact OD1-NE 3.39Å; D6-R53 IonicContact OD1-NH2 2.68Å; D6-R53 PolarHBondContact OD1-NH2 3.26Å; D6-R53 WeakPolarHBondContact OD2-CG 3.46Å; D6-R53 IonicContact OD2-NE 3.7Å; D6-R53 PolarHBondContact OD2-NE 3.35Å
7Y84.3Confident74.7Confident51 Ų5148.2 Ų48.220%0.227%0.268CS..EExtended strand (participates in β ladder)trans-109130.3-179.4-59.7-91.5000110M1 C5 L50 A211 V213M1-Y7 WeakPolarHBondContact CB-OH 3.11Å; C5-Y7 HydrophobicContact CB-CE2 4.22Å; C5-Y7 WeakPolarHBondContact O-CD2 3.33Å; C5-Y7 VanDerWaalsContact O-CE2 3.32Å; C5-Y7 WeakPolarHBondContact O-CE2 3.05Å; Y7-L50 HydrophobicContact CD1-CD1 4.14Å; Y7-L50 HydrophobicContact CD1-CD2 4.34Å; Y7-L50 HydrophobicContact CD1-CG 3.73Å; Y7-L50 HydrophobicContact CE1-CD1 4.38Å; Y7-L50 HydrophobicContact CE1-CD2 3.8Å; Y7-L50 HydrophobicContact CE1-CG 3.69Å; Y7-A211 HydrophobicContact CE1-CB 4.36Å; Y7-A211 WeakPolarHBondContact OH-CB 3.3Å; Y7-V213 HydrophobicContact CD1-CG2 3.47Å; Y7-V213 VanDerWaalsContact CD1-CG2 3.47Å; Y7-V213 HydrophobicContact CD2-CG2 4.32Å; Y7-V213 HydrophobicContact CE1-CG2 4.18Å; Y7-V213 HydrophobicContact CG-CG2 3.54Å
8S85.8Confident74.7Confident53 Ų5349.7 Ų49.737%0.37128%0.28SS..EExtended strand (participates in β ladder)trans-136.2135.8173.760.90000111V49S8-V49 PolarHBondContact N-O 3.16Å; S8-V49 PolarHBondContact O-N 3.3Å
9M88.3Confident74.6Confident32 Ų3251.4 Ų51.416%0.15828%0.282CS..EExtended strand (participates in β ladder)trans-103.9137.3174-76-172.6-88.200110.3F11 F46 L47 L48 V172 V213 T215M9-F11 HydrophobicContact CB-CE2 3.85Å; M9-F11 HydrophobicContact CB-CZ 4.25Å; M9-F11 HydrophobicContact SD-CZ 4.39Å; M9-F46 HydrophobicContact CG-CE2 4.41Å; M9-F46 HydrophobicContact SD-CE2 4.04Å; M9-L47 CarbonylContact C-O 3.57Å; M9-L47 WeakPolarHBondContact CA-O 3.24Å; M9-L48 HydrophobicContact CG-CD1 3.82Å; M9-V172 HydrophobicContact SD-CG2 3.86Å; M9-V213 HydrophobicContact CE-CB 4.2Å; M9-V213 HydrophobicContact CE-CG1 3.73Å; M9-T215 VanDerWaalsContact CE-CB 3.47Å; M9-T215 HydrophobicContact CE-CG2 3.45Å; M9-T215 VanDerWaalsContact CE-CG2 3.45Å; M9-T215 HydrophobicContact SD-CG2 3.75Å
10Y86.9Confident74.1Confident6 Ų652.9 Ų52.92%0.02430%0.301CS..EExtended strand (participates in β ladder)trans-127.9119.1-172.9-166.6-85.3000111.5P12 Y29 L32 R34 F46 L47Y10-P12 HydrophobicContact CD1-CB 4.38Å; Y10-P12 HydrophobicContact CE1-CB 4.06Å; Y10-P12 WeakPolarHBondContact O-CD 3.49Å; Y10-Y29 HydrophobicContact CD2-CD2 4.1Å; Y10-Y29 WeakPolarHBondContact CE1-O 3.2Å; Y10-Y29 HydrophobicContact CE2-CD2 4.3Å; Y10-Y29 HydrophobicContact CG-CD2 4.29Å; Y10-Y29 PolarHBondContact OH-O 2.83Å; Y10-Y29 VanDerWaalsContact OH-O 3.08Å; Y10-L32 HydrophobicContact CE1-CB 4.07Å; Y10-L32 PolarHBondContact OH-O 3.46Å; Y10-R34 HydrophobicContact CE1-CG 4.34Å; Y10-R34 HydrophobicContact CE2-CG 3.77Å; Y10-R34 WeakPolarHBondContact OH-CG 3.38Å; Y10-F46 WeakPolarHBondContact O-CA 3.43Å; Y10-F46 VanDerWaalsContact O-CB 3.29Å; Y10-F46 WeakPolarHBondContact O-CB 3.35Å; Y10-L47 PolarHBondContact N-O 2.97Å; Y10-L47 PolarHBondContact O-N 3.37Å
11F87.6Confident73.9Confident14 Ų1454.6 Ų54.66%0.06131%0.307CS..  trans-109.396.3-178.5-61.2-86.6000110.2M9 R34 R35 V44 F46 I170 T215 L217M9-F11 HydrophobicContact CB-CE2 3.85Å; M9-F11 HydrophobicContact CB-CZ 4.25Å; M9-F11 HydrophobicContact SD-CZ 4.39Å; F11-R34 WeakPolarHBondContact O-CA 3.18Å; F11-R35 PolarHBondContact O-N 3.4Å; F11-V44 HydrophobicContact CD1-CG1 4.09Å; F11-F46 HydrophobicContact CD1-CB 3.5Å; F11-F46 VanDerWaalsContact CD1-CB 3.5Å; F11-F46 HydrophobicContact CD1-CG 4.04Å; F11-F46 HydrophobicContact CE1-CB 3.57Å; F11-F46 AromaticContact CE1-CD1 3.96Å; F11-F46 HydrophobicContact CE1-CD1 3.96Å; F11-F46 AromaticContact CE1-CD2 3.93Å; F11-F46 HydrophobicContact CE1-CD2 3.93Å; F11-F46 AromaticContact CE1-CG 3.56Å; F11-F46 HydrophobicContact CE1-CG 3.56Å; F11-F46 HydrophobicContact CG-CB 4.24Å; F11-F46 HydrophobicContact CZ-CB 4.37Å; F11-F46 HydrophobicContact CZ-CD2 4.07Å; F11-F46 HydrophobicContact CZ-CG 4.18Å; F11-I170 HydrophobicContact CE1-CD1 3.54Å; F11-I170 HydrophobicContact CZ-CD1 3.88Å; F11-T215 HydrophobicContact CE2-CG2 3.68Å; F11-T215 HydrophobicContact CZ-CG2 3.6Å; F11-L217 HydrophobicContact CD1-CD1 3.73Å; F11-L217 HydrophobicContact CD2-CD1 3.94Å; F11-L217 HydrophobicContact CD2-CD2 4.45Å; F11-L217 HydrophobicContact CE1-CD1 3.63Å; F11-L217 HydrophobicContact CE2-CD1 3.86Å; F11-L217 HydrophobicContact CG-CD1 3.9Å; F11-L217 HydrophobicContact CZ-CD1 3.71Å
12P83.7Confident74.6Confident4 Ų453.6 Ų53.63%0.02630%0.302CS..BIsolated β-bridgetrans-72.2144.8-177.731.5-35.9000111.9Y10 V14 L16 L32 P33 R35Y10-P12 HydrophobicContact CD1-CB 4.38Å; Y10-P12 HydrophobicContact CE1-CB 4.06Å; Y10-P12 WeakPolarHBondContact O-CD 3.49Å; P12-V14 VanDerWaalsContact C-N 3.34Å; P12-L16 HydrophobicContact CB-CD2 4.27Å; P12-L16 HydrophobicContact CG-CD2 3.78Å; P12-L16 HydrophobicContact CG-CG 3.93Å; P12-L32 HydrophobicContact CB-CD1 4.29Å; P12-P33 CarbonylContact C-O 3.58Å; P12-P33 WeakPolarHBondContact CA-O 3.35Å; P12-R35 WeakPolarHBondContact O-CD 3.44Å
13A77.8Confident75.3Confident25 Ų2549 Ų4921%0.20729%0.29CS..SBendtrans-86.4-5.8173.800000114.4P33 R35A13-P33 HydrophobicContact CB-CB 3.97Å; A13-P33 HydrophobicContact CB-CG 3.97Å; A13-P33 PolarHBondContact N-O 2.84Å; A13-R35 HydrophobicContact CB-CG 3.41Å; A13-R35 VanDerWaalsContact CB-CG 3.41Å
14V77.3Confident76.1Confident53 Ų5347.7 Ų47.732%0.32129%0.292SS..SBendtrans-126.4160.2-178.9-68.50000109.4P12 L16 L32 P33P12-V14 VanDerWaalsContact C-N 3.34Å; V14-L16 PolarHBondContact O-N 3.36Å; V14-L32 HydrophobicContact CG2-CB 4.41Å; V14-L32 HydrophobicContact CG2-CD2 3.85Å; V14-P33 HydrophobicContact CG1-CG 3.83Å; V14-P33 HydrophobicContact CG2-CG 4.11Å
15P75.8Confident76.8Confident82 Ų8246 Ų4653%0.53229%0.286SS..PPolyproline II helixtrans-53.7138.1172.7-22.933.7000110.4P349 F350P15-P349 HydrophobicContact CB-CB 4.35Å; P15-P349 HydrophobicContact CG-CB 3.74Å; P15-F350 HydrophobicContact CB-CE1 4.46Å
16L72.9Confident76.7Confident17 Ų1747.3 Ų47.39%0.08930%0.295CS..PPolyproline II helixtrans-65.2136.9175.9-76.8168.9000109.4P12 V14 L32 R45 L47P12-L16 HydrophobicContact CB-CD2 4.27Å; P12-L16 HydrophobicContact CG-CD2 3.78Å; P12-L16 HydrophobicContact CG-CG 3.93Å; V14-L16 PolarHBondContact O-N 3.36Å; L16-L32 HydrophobicContact CD2-CD1 4.12Å; L16-R45 HydrophobicContact CD1-CG 3.75Å; L16-L47 HydrophobicContact CD1-CD2 3.68Å; L16-L47 HydrophobicContact CD1-CG 4.25Å; L16-L47 HydrophobicContact CD2-CD1 3.84Å; L16-L47 HydrophobicContact CD2-CD2 4.03Å; L16-L47 HydrophobicContact CD2-CG 3.93Å
17P69.3Low76.4Confident19 Ų1945.3 Ų45.312%0.12329%0.291CS..PPolyproline II helixtrans-60.5155.1173.526.3-33.3000110.3E21 L22P17-E21 HydrophobicContact CB-CB 4.45Å; P17-L22 HydrophobicContact CG-CD1 4Å
18P74.4Confident76.2Confident76 Ų7648.3 Ų48.349%0.49430%0.302SS..PPolyproline II helixtrans-52.2144.7178.2-24.933.5000111.9A20 E21 L22P18-A20 PolarHBondContact O-N 2.97Å; P18-A20 VanDerWaalsContact O-N 3.07Å; P18-E21 WeakPolarHBondContact O-CB 3.35Å; P18-E21 PolarHBondContact O-N 3.38Å; P18-L22 PolarHBondContact O-N 2.9Å; P18-L22 VanDerWaalsContact O-N 3.14Å
19R72.3Confident75.8Confident81 Ų8146.1 Ų46.131%0.30629%0.286SS..Hα-helixtrans-46.5-43179.6-179-165.1174.283.52.1112.8E21 L22 A23 E142 P143 I144R19-E21 VanDerWaalsContact C-N 3.31Å; R19-E21 PolarHBondContact O-N 2.73Å; R19-L22 PolarHBondContact O-N 3.02Å; R19-A23 VanDerWaalsContact O-CB 3.31Å; R19-A23 WeakPolarHBondContact O-CB 3.43Å; R19-A23 PolarHBondContact O-N 3.47Å; R19-E142 PolarHBondContact NH1-O 2.89Å; R19-E142 IonicContact NH2-OE2 3.03Å; R19-P143 PolarHBondContact NH2-O 2.9Å; R19-I144 HydrophobicContact CG-CD1 4.08Å; R19-I144 HydrophobicContact CG-CG1 4.1Å
20A66Low75.5Confident81 Ų8150.4 Ų50.467%0.66930%0.3SS*.Hα-helixtrans-60.6-38.8-179.200000112.8P18 G24P18-A20 PolarHBondContact O-N 2.97Å; P18-A20 VanDerWaalsContact O-N 3.07Å; A20-G24 PolarHBondContact O-N 3.08Å
21E69.3Low75.3Confident89 Ų8954.4 Ų54.442%0.41633%0.334SS..Hα-helixtrans-73.8-37.3177.1-66.6-175.6-155.200111.9P17 P18 R19 A23 G24 D25 R28P17-E21 HydrophobicContact CB-CB 4.45Å; P18-E21 WeakPolarHBondContact O-CB 3.35Å; P18-E21 PolarHBondContact O-N 3.38Å; R19-E21 VanDerWaalsContact C-N 3.31Å; R19-E21 PolarHBondContact O-N 2.73Å; E21-A23 VanDerWaalsContact C-N 3.33Å; E21-G24 PolarHBondContact O-N 3.22Å; E21-D25 PolarHBondContact O-N 3.35Å; E21-D25 VanDerWaalsContact O-N 3.16Å; E21-R28 IonicContact OE2-CZ 3.17Å; E21-R28 IonicContact OE2-NH1 3.55Å; E21-R28 PolarHBondContact OE2-NH1 2.99Å; E21-R28 IonicContact OE2-NH2 2.9Å
22L71.5Confident75Confident4 Ų455.3 Ų55.32%0.02134%0.339CS..Hα-helixtrans-73.5-26.7178.4-159.670.7000112.5P17 P18 R19 D25 P26 L47 I144P17-L22 HydrophobicContact CG-CD1 4Å; P18-L22 PolarHBondContact O-N 2.9Å; P18-L22 VanDerWaalsContact O-N 3.14Å; R19-L22 PolarHBondContact O-N 3.02Å; L22-D25 CarbonylContact O-C 3.43Å; L22-P26 WeakPolarHBondContact O-CA 3.31Å; L22-L47 HydrophobicContact CD2-CD1 4.18Å; L22-L47 HydrophobicContact CD2-CD2 4.4Å; L22-I144 HydrophobicContact CB-CD1 4.06Å; L22-I144 HydrophobicContact CD2-CD1 3.81Å; L22-I144 HydrophobicContact CG-CD1 4.18Å
23A69.1Low74.9Confident55 Ų5558.4 Ų58.446%0.45536%0.36SS..Hα-helixtrans-74.8-32.4171.700000112.4R19 E21 I144R19-A23 VanDerWaalsContact O-CB 3.31Å; R19-A23 WeakPolarHBondContact O-CB 3.43Å; R19-A23 PolarHBondContact O-N 3.47Å; E21-A23 VanDerWaalsContact C-N 3.33Å; A23-I144 HydrophobicContact CB-CG2 4.02Å
24G71.3Confident75.2Confident68 Ų6864.9 Ų64.970%0.70138%0.379SS*.Hα-helixtrans-73.4-37.4177.500000113.9A20 E21A20-G24 PolarHBondContact O-N 3.08Å; E21-G24 PolarHBondContact O-N 3.22Å
25D76.5Confident75.3Confident83 Ų8363.4 Ų63.444%0.44437%0.367SS..  trans-132.690171.1179.410000110.4E21 L22 G27 R28E21-D25 PolarHBondContact O-N 3.35Å; E21-D25 VanDerWaalsContact O-N 3.16Å; L22-D25 CarbonylContact O-C 3.43Å; D25-G27 PolarHBondContact O-N 3.17Å; D25-G27 VanDerWaalsContact O-N 3.15Å; D25-G27 WeakPolarHBondContact OD1-CA 3.35Å; D25-G27 PolarHBondContact OD1-N 2.94Å; D25-R28 HydrophobicContact CB-CB 4.28Å; D25-R28 VanDerWaalsContact O-CB 3.29Å; D25-R28 WeakPolarHBondContact O-CB 3.35Å; D25-R28 PolarHBondContact O-N 3.25Å; D25-R28 VanDerWaalsContact O-N 3.14Å
26P69.9Low75.5Confident30 Ų3065.8 Ų65.820%0.19538%0.375CS..THydrogen-bonded Turntrans-65.7-14.6178.927.3-33.9000112.1L22 R28 Y29 I151L22-P26 WeakPolarHBondContact O-CA 3.31Å; P26-R28 VanDerWaalsContact C-N 3.31Å; P26-Y29 WeakPolarHBondContact O-CD1 3.49Å; P26-Y29 WeakPolarHBondContact O-CE1 3.42Å; P26-I151 HydrophobicContact CB-CD1 4.12Å
27G75.2Confident76Confident29 Ų2966.5 Ų66.530%0.29938%0.378SS..THydrogen-bonded Turntrans-75.3-19.8175.600000113.8D25 Y29 R30D25-G27 PolarHBondContact O-N 3.17Å; D25-G27 VanDerWaalsContact O-N 3.15Å; D25-G27 WeakPolarHBondContact OD1-CA 3.35Å; D25-G27 PolarHBondContact OD1-N 2.94Å; G27-Y29 VanDerWaalsContact C-N 3.27Å; G27-Y29 PolarHBondContact O-N 3.48Å; G27-R30 WeakPolarHBondContact O-CB 3.48Å; G27-R30 PolarHBondContact O-N 2.95Å
28R79.4Confident76.9Confident113 Ų11365.7 Ų65.743%0.42637%0.373SS..G310 helixtrans-63.5-27.1-170-163.5169.7174-157.1-5.5114E21 D25 P26 R30 A31E21-R28 IonicContact OE2-CZ 3.17Å; E21-R28 IonicContact OE2-NH1 3.55Å; E21-R28 PolarHBondContact OE2-NH1 2.99Å; E21-R28 IonicContact OE2-NH2 2.9Å; D25-R28 HydrophobicContact CB-CB 4.28Å; D25-R28 VanDerWaalsContact O-CB 3.29Å; D25-R28 WeakPolarHBondContact O-CB 3.35Å; D25-R28 PolarHBondContact O-N 3.25Å; D25-R28 VanDerWaalsContact O-N 3.14Å; P26-R28 VanDerWaalsContact C-N 3.31Å; R28-R30 PolarHBondContact O-N 3.06Å; R28-A31 PolarHBondContact O-N 3.45Å
29Y77.8Confident77.5Confident8 Ų862.1 Ų62.13%0.03135%0.349CS..G310 helixtrans-61.3-28.617669.9-97.3000112.5Y10 P26 G27 A31 L32 L47 V49 E149 I151Y10-Y29 HydrophobicContact CD2-CD2 4.1Å; Y10-Y29 WeakPolarHBondContact CE1-O 3.2Å; Y10-Y29 HydrophobicContact CE2-CD2 4.3Å; Y10-Y29 HydrophobicContact CG-CD2 4.29Å; Y10-Y29 PolarHBondContact OH-O 2.83Å; Y10-Y29 VanDerWaalsContact OH-O 3.08Å; P26-Y29 WeakPolarHBondContact O-CD1 3.49Å; P26-Y29 WeakPolarHBondContact O-CE1 3.42Å; G27-Y29 VanDerWaalsContact C-N 3.27Å; G27-Y29 PolarHBondContact O-N 3.48Å; Y29-A31 PolarHBondContact O-N 3.4Å; Y29-L32 WeakPolarHBondContact O-CB 3.26Å; Y29-L32 PolarHBondContact O-N 3.44Å; Y29-L47 HydrophobicContact CG-CD1 4.07Å; Y29-V49 HydrophobicContact CE1-CG2 4.28Å; Y29-V49 HydrophobicContact CE2-CG2 4.01Å; Y29-E149 PolarHBondContact OH-OE2 3.49Å; Y29-I151 HydrophobicContact CD1-CD1 3.83Å; Y29-I151 HydrophobicContact CE1-CD1 3.69Å; Y29-I151 HydrophobicContact CE1-CG1 4.49Å
30R82.5Confident78.2Confident122 Ų12258.6 Ų58.646%0.4634%0.337SS..G310 helixtrans-69.6-23.7-177.1-60.9-178.2-173.21585.8113G27 R28 L32 E149G27-R30 WeakPolarHBondContact O-CB 3.48Å; G27-R30 PolarHBondContact O-N 2.95Å; R28-R30 PolarHBondContact O-N 3.06Å; R30-L32 VanDerWaalsContact C-N 3.35Å; R30-E149 IonicContact CZ-OE1 3.88Å; R30-E149 IonicContact NH2-OE1 3.81Å; R30-E149 PolarHBondContact NH2-OE1 2.95Å; R30-E149 IonicContact NH2-OE2 3.19Å
31A81.3Confident78.9Confident89 Ų8954.7 Ų54.774%0.73631%0.305SS*.G310 helixtrans-83.9-10.3177.700000113R28 Y29R28-A31 PolarHBondContact O-N 3.45Å; Y29-A31 PolarHBondContact O-N 3.4Å
32L82.4Confident79.8Confident34 Ų3450.5 Ų50.518%0.17829%0.285CS..SBendtrans-69.2148180-60.4175.7000110.3Y10 P12 V14 L16 Y29 R30Y10-L32 HydrophobicContact CE1-CB 4.07Å; Y10-L32 PolarHBondContact OH-O 3.46Å; P12-L32 HydrophobicContact CB-CD1 4.29Å; V14-L32 HydrophobicContact CG2-CB 4.41Å; V14-L32 HydrophobicContact CG2-CD2 3.85Å; L16-L32 HydrophobicContact CD2-CD1 4.12Å; Y29-L32 WeakPolarHBondContact O-CB 3.26Å; Y29-L32 PolarHBondContact O-N 3.44Å; R30-L32 VanDerWaalsContact C-N 3.35Å
33P81.9Confident80.4Confident69 Ų6952 Ų5245%0.44829%0.294SS..PPolyproline II helixtrans-65.2143.3169.725.6-33.3000110.6P12 A13 V14P12-P33 CarbonylContact C-O 3.58Å; P12-P33 WeakPolarHBondContact CA-O 3.35Å; A13-P33 HydrophobicContact CB-CB 3.97Å; A13-P33 HydrophobicContact CB-CG 3.97Å; A13-P33 PolarHBondContact N-O 2.84Å; V14-P33 HydrophobicContact CG1-CG 3.83Å; V14-P33 HydrophobicContact CG2-CG 4.11Å
34R82.4Confident81.2Confident161 Ų16149.6 Ų49.661%0.60827%0.274SS*.BIsolated β-bridgetrans-99.3144.9177.2-65.2-177.4-175.5-169.6-2.8111.3Y10 F11Y10-R34 HydrophobicContact CE1-CG 4.34Å; Y10-R34 HydrophobicContact CE2-CG 3.77Å; Y10-R34 WeakPolarHBondContact OH-CG 3.38Å; F11-R34 WeakPolarHBondContact O-CA 3.18Å
35R80.9Confident81.9Confident22 Ų2249.3 Ų49.38%0.08325%0.252CS..PPolyproline II helixtrans-93139.4170.4-58.7-179.478.4177.4-14.6110.5F11 P12 A13 E42 K347F11-R35 PolarHBondContact O-N 3.4Å; P12-R35 WeakPolarHBondContact O-CD 3.44Å; A13-R35 HydrophobicContact CB-CG 3.41Å; A13-R35 VanDerWaalsContact CB-CG 3.41Å; R35-E42 IonicContact CZ-OE1 2.62Å; R35-E42 IonicContact CZ-OE2 3.72Å; R35-E42 IonicContact NH1-OE1 3.56Å; R35-E42 PolarHBondContact NH1-OE1 2.87Å; R35-E42 IonicContact NH1-OE2 2.85Å; R35-E42 IonicContact NH2-OE1 3.31Å; R35-E42 PolarHBondContact NH2-OE1 2.88Å; R35-E42 IonicContact NH2-OE2 3.68Å; R35-E42 PolarHBondContact NH2-OE2 2.77Å; R35-K347 PolarHBondContact NH1-O 2.81Å
36N78.3Confident82.5Confident131 Ų13145.4 Ų45.470%0.70123%0.231SC*.SBendtrans-102.8-10.5175.5-62.4-32.1000112.7
37H85.4Confident83.3Confident32 Ų3244 Ų4415%0.14822%0.222CC..EExtended strand (participates in β ladder)trans-143.9156.5-178.463.7-99.8000110.7T218 L220 E249H37-T218 VanDerWaalsContact CA-O 3.28Å; H37-T218 WeakPolarHBondContact CA-O 3.35Å; H37-L220 HydrophobicContact CB-CD1 4.38Å; H37-L220 HydrophobicContact CB-CG 4.12Å; H37-L220 WeakPolarHBondContact CD2-CD1 3.49Å; H37-E249 IonicContact CE1-OE1 3.93Å; H37-E249 IonicContact NE2-OE1 3.59Å
38L87.6Confident84Confident2 Ų242.6 Ų42.61%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-130.9165.1179.5-59.6170.5000109.9V44 L158 I170 L217 T218 L219 L220L38-V44 HydrophobicContact CD1-CG1 4.38Å; L38-V44 HydrophobicContact CD1-CG2 4.02Å; L38-V44 HydrophobicContact CD2-CG1 3.98Å; L38-V44 HydrophobicContact CD2-CG2 3.8Å; L38-V44 HydrophobicContact CG-CG2 4.36Å; L38-L158 HydrophobicContact CB-CD1 3.93Å; L38-L158 HydrophobicContact CD1-CD1 4.11Å; L38-I170 HydrophobicContact CD1-CD1 4.32Å; L38-L217 HydrophobicContact CD1-CB 4.06Å; L38-L217 HydrophobicContact CD1-CD1 3.38Å; L38-L217 HydrophobicContact CD1-CG 4.38Å; L38-L217 HydrophobicContact CG-CD1 4.15Å; L38-T218 PolarHBondContact N-O 3.12Å; L38-L219 HydrophobicContact CB-CD2 3.83Å; L38-L219 CarbonylContact O-C 3.59Å; L38-L219 WeakPolarHBondContact O-CA 3.44Å; L38-L220 PolarHBondContact O-N 3.37Å
39Y86.9Confident84.4Confident1 Ų137.2 Ų37.20%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-106.3144.9174.9-65.5-85.3000111.5E42 L158 L220 W343 T345 L348Y39-E42 PolarHBondContact N-OE2 3.3Å; Y39-E42 WeakPolarHBondContact O-CB 3.36Å; Y39-E42 PolarHBondContact O-N 3.23Å; Y39-L158 WeakPolarHBondContact O-CD1 3.32Å; Y39-L220 HydrophobicContact CD1-CB 3.86Å; Y39-L220 HydrophobicContact CE1-CB 3.73Å; Y39-L220 HydrophobicContact CE1-CD1 3.84Å; Y39-L220 HydrophobicContact CE1-CG 4.4Å; Y39-W343 AromaticContact CD1-CH2 3.6Å; Y39-W343 HydrophobicContact CD1-CH2 3.6Å; Y39-W343 AromaticContact CD1-CZ3 3.99Å; Y39-W343 HydrophobicContact CD1-CZ3 3.99Å; Y39-W343 HydrophobicContact CE1-CH2 4.27Å; Y39-W343 HydrophobicContact CE1-CZ3 4.27Å; Y39-W343 HydrophobicContact CG-CH2 4.06Å; Y39-W343 HydrophobicContact CG-CZ3 4.46Å; Y39-T345 HydrophobicContact CD2-CG2 3.99Å; Y39-T345 HydrophobicContact CE2-CG2 3.47Å; Y39-T345 VanDerWaalsContact CE2-CG2 3.47Å; Y39-L348 HydrophobicContact CD2-CD2 3.91Å
40L86.4Confident84.8Confident7 Ų736.8 Ų36.84%0.03719%0.186CC..THydrogen-bonded Turntrans-62.6138.6172.7-170.669.8000110E42 T124 L158 L161 L219L40-E42 VanDerWaalsContact C-N 3.26Å; L40-E42 PolarHBondContact O-N 3.16Å; L40-T124 HydrophobicContact CB-CG2 4.18Å; L40-T124 HydrophobicContact CD2-CG2 4.37Å; L40-T124 HydrophobicContact CG-CG2 4.19Å; L40-T124 WeakPolarHBondContact O-CG2 3.45Å; L40-L158 WeakPolarHBondContact CD1-O 3.35Å; L40-L161 HydrophobicContact CD1-CB 3.55Å; L40-L161 HydrophobicContact CD1-CD1 4.44Å; L40-L219 HydrophobicContact CD1-CD1 4.22Å
41G81.9Confident85Confident0 Ų036 Ų360%018%0.183CC..THydrogen-bonded Turntrans79.9-2.7-175.300000115.3G126 L158G41-G126 WeakPolarHBondContact O-CA 2.91Å; G41-G126 PolarHBondContact O-N 3.15Å; G41-L158 PolarHBondContact N-O 3.47Å
42E86.6Confident84.7Confident0 Ų033.8 Ų33.80%016%0.161CC..  trans-72.5142.5172.9-176.8176.6-179.900111.7R35 Y39 L40 V44 L158 L348R35-E42 IonicContact CZ-OE1 2.62Å; R35-E42 IonicContact CZ-OE2 3.72Å; R35-E42 IonicContact NH1-OE1 3.56Å; R35-E42 PolarHBondContact NH1-OE1 2.87Å; R35-E42 IonicContact NH1-OE2 2.85Å; R35-E42 IonicContact NH2-OE1 3.31Å; R35-E42 PolarHBondContact NH2-OE1 2.88Å; R35-E42 IonicContact NH2-OE2 3.68Å; R35-E42 PolarHBondContact NH2-OE2 2.77Å; Y39-E42 PolarHBondContact N-OE2 3.3Å; Y39-E42 WeakPolarHBondContact O-CB 3.36Å; Y39-E42 PolarHBondContact O-N 3.23Å; L40-E42 VanDerWaalsContact C-N 3.26Å; L40-E42 PolarHBondContact O-N 3.16Å; E42-V44 HydrophobicContact CB-CG2 4.33Å; E42-V44 HydrophobicContact CG-CG2 3.86Å; E42-L158 HydrophobicContact CB-CD1 4.46Å; E42-L158 WeakPolarHBondContact O-CB 3.4Å; E42-L158 WeakPolarHBondContact O-CG 3.37Å; E42-L158 PolarHBondContact O-N 2.96Å; E42-L348 HydrophobicContact CB-CD2 4.38Å; E42-L348 HydrophobicContact CG-CD2 3.79Å; E42-L348 WeakPolarHBondContact OE1-CD2 3.3Å; E42-L348 WeakPolarHBondContact OE2-CD2 3.39Å
43T85.5Confident84.1Confident35 Ų3538.9 Ų38.922%0.21518%0.178CC..EExtended strand (participates in β ladder)trans-92.3115.4162-62.80000109.1T155 T351T43-T155 HydrophobicContact CG2-CG2 3.3Å; T43-T351 PolarHBondContact N-OG1 3.01Å
44V85.6Confident83Confident6 Ų638.3 Ų38.34%0.03619%0.185CC..EExtended strand (participates in β ladder)trans-104.8123.2-172.8-176.80000109.9F11 L38 E42 T155 V156 L158F11-V44 HydrophobicContact CD1-CG1 4.09Å; L38-V44 HydrophobicContact CD1-CG1 4.38Å; L38-V44 HydrophobicContact CD1-CG2 4.02Å; L38-V44 HydrophobicContact CD2-CG1 3.98Å; L38-V44 HydrophobicContact CD2-CG2 3.8Å; L38-V44 HydrophobicContact CG-CG2 4.36Å; E42-V44 HydrophobicContact CB-CG2 4.33Å; E42-V44 HydrophobicContact CG-CG2 3.86Å; V44-T155 CarbonylContact O-C 3.6Å; V44-T155 WeakPolarHBondContact O-CA 3.43Å; V44-V156 HydrophobicContact CB-CG1 4.32Å; V44-V156 PolarHBondContact N-O 2.8Å; V44-V156 PolarHBondContact O-N 3.34Å; V44-L158 HydrophobicContact CG2-CD1 3.84Å; V44-L158 HydrophobicContact CG2-CG 4.21Å
45R86.2Confident81.4Confident62 Ų6234.8 Ų34.823%0.23420%0.198CC..EExtended strand (participates in β ladder)trans-100.5130.4169.9-164.2176.3174.4-172.2-4.3109.8L16 E141 L154 F350L16-R45 HydrophobicContact CD1-CG 3.75Å; R45-E141 IonicContact CZ-OE2 3.47Å; R45-E141 IonicContact NE-OE2 2.68Å; R45-E141 VanDerWaalsContact NH2-CD 3.33Å; R45-E141 IonicContact NH2-OE1 2.74Å; R45-E141 PolarHBondContact NH2-OE1 2.83Å; R45-E141 IonicContact NH2-OE2 3.17Å; R45-E141 PolarHBondContact NH2-OE2 3.27Å; R45-L154 CarbonylContact C-O 3.54Å; R45-L154 VanDerWaalsContact CA-O 3.31Å; R45-L154 WeakPolarHBondContact CA-O 3.42Å; R45-L154 WeakPolarHBondContact CG-O 3.18Å; R45-F350 HydrophobicContact CB-CD1 4.35Å; R45-F350 HydrophobicContact CB-CD2 3.97Å; R45-F350 HydrophobicContact CB-CE1 4.1Å; R45-F350 HydrophobicContact CB-CE2 3.69Å; R45-F350 HydrophobicContact CB-CG 4.29Å; R45-F350 HydrophobicContact CB-CZ 3.76Å; R45-F350 HydrophobicContact CG-CZ 4.47Å
46F87.5Confident79.5Confident0 Ų038.8 Ų38.80%024%0.236CC..EExtended strand (participates in β ladder)trans-145.1164.5-17569.6-85.6000110.5M9 Y10 F11 A83 L154 V156 I170 V172M9-F46 HydrophobicContact CG-CE2 4.41Å; M9-F46 HydrophobicContact SD-CE2 4.04Å; Y10-F46 WeakPolarHBondContact O-CA 3.43Å; Y10-F46 VanDerWaalsContact O-CB 3.29Å; Y10-F46 WeakPolarHBondContact O-CB 3.35Å; F11-F46 HydrophobicContact CD1-CB 3.5Å; F11-F46 VanDerWaalsContact CD1-CB 3.5Å; F11-F46 HydrophobicContact CD1-CG 4.04Å; F11-F46 HydrophobicContact CE1-CB 3.57Å; F11-F46 AromaticContact CE1-CD1 3.96Å; F11-F46 HydrophobicContact CE1-CD1 3.96Å; F11-F46 AromaticContact CE1-CD2 3.93Å; F11-F46 HydrophobicContact CE1-CD2 3.93Å; F11-F46 AromaticContact CE1-CG 3.56Å; F11-F46 HydrophobicContact CE1-CG 3.56Å; F11-F46 HydrophobicContact CG-CB 4.24Å; F11-F46 HydrophobicContact CZ-CB 4.37Å; F11-F46 HydrophobicContact CZ-CD2 4.07Å; F11-F46 HydrophobicContact CZ-CG 4.18Å; F46-A83 HydrophobicContact CE1-CB 3.85Å; F46-A83 HydrophobicContact CZ-CB 3.57Å; F46-L154 HydrophobicContact CD1-CB 4.41Å; F46-L154 HydrophobicContact CE1-CB 3.96Å; F46-L154 HydrophobicContact CE2-CB 4.15Å; F46-L154 HydrophobicContact CE2-CD1 4.14Å; F46-L154 HydrophobicContact CZ-CB 3.83Å; F46-L154 HydrophobicContact CZ-CD1 4.15Å; F46-L154 PolarHBondContact N-O 3.1Å; F46-L154 PolarHBondContact O-N 3.28Å; F46-L154 VanDerWaalsContact O-O 3.14Å; F46-V156 HydrophobicContact CD1-CG1 4.3Å; F46-V156 HydrophobicContact CE1-CB 4.21Å; F46-V156 HydrophobicContact CE1-CG1 3.8Å; F46-I170 HydrophobicContact CE1-CG2 4.09Å; F46-I170 HydrophobicContact CE2-CG2 4.35Å; F46-I170 HydrophobicContact CZ-CG2 3.7Å; F46-V172 HydrophobicContact CE2-CG2 3.64Å; F46-V172 HydrophobicContact CZ-CG2 3.69Å
47L88.8Confident77.7Confident0 Ų036.3 Ų36.30%024%0.241CC..EExtended strand (participates in β ladder)trans-108.9132.9178.6-52.6174.8000109.8M9 Y10 L16 L22 Y29 I151 F152 P153M9-L47 CarbonylContact C-O 3.57Å; M9-L47 WeakPolarHBondContact CA-O 3.24Å; Y10-L47 PolarHBondContact N-O 2.97Å; Y10-L47 PolarHBondContact O-N 3.37Å; L16-L47 HydrophobicContact CD1-CD2 3.68Å; L16-L47 HydrophobicContact CD1-CG 4.25Å; L16-L47 HydrophobicContact CD2-CD1 3.84Å; L16-L47 HydrophobicContact CD2-CD2 4.03Å; L16-L47 HydrophobicContact CD2-CG 3.93Å; L22-L47 HydrophobicContact CD2-CD1 4.18Å; L22-L47 HydrophobicContact CD2-CD2 4.4Å; Y29-L47 HydrophobicContact CG-CD1 4.07Å; L47-I151 HydrophobicContact CB-CG2 4.06Å; L47-I151 HydrophobicContact CD1-CG2 4.17Å; L47-I151 HydrophobicContact CD2-CG2 4Å; L47-I151 HydrophobicContact CG-CG2 4.31Å; L47-F152 WeakPolarHBondContact CA-O 3.33Å; L47-P153 HydrophobicContact CD2-CB 3.94Å
48L88.8Confident75.3Confident0 Ų040.3 Ų40.30%027%0.273CS..EExtended strand (participates in β ladder)trans-100.2120.8162.117172.8000108.1M9 L50 A81 I151 F152 L154 V172 V174 V213M9-L48 HydrophobicContact CG-CD1 3.82Å; L48-L50 HydrophobicContact CD1-CD1 4.38Å; L48-L50 HydrophobicContact CD2-CD1 3.74Å; L48-L50 HydrophobicContact CG-CD1 3.69Å; L48-A81 HydrophobicContact CD2-CB 4.42Å; L48-I151 CarbonylContact O-C 3.53Å; L48-I151 WeakPolarHBondContact O-CA 3.31Å; L48-F152 HydrophobicContact CB-CB 4.23Å; L48-F152 HydrophobicContact CD2-CD2 4.25Å; L48-F152 PolarHBondContact N-O 3.47Å; L48-F152 PolarHBondContact O-N 2.98Å; L48-L154 HydrophobicContact CB-CD1 4.08Å; L48-V172 HydrophobicContact CD2-CB 4.13Å; L48-V172 HydrophobicContact CD2-CG1 3.49Å; L48-V172 VanDerWaalsContact CD2-CG1 3.49Å; L48-V174 HydrophobicContact CD2-CG2 3.37Å; L48-V213 HydrophobicContact CD1-CB 4.48Å; L48-V213 HydrophobicContact CD1-CG2 4.33Å
49V87.9Confident73.1Confident0 Ų044.2 Ų44.20%031%0.314CS..EExtended strand (participates in β ladder)trans-109.6122.1179.2-174.50000109.2S8 Y29 R51 E149 V150 I151S8-V49 PolarHBondContact N-O 3.16Å; S8-V49 PolarHBondContact O-N 3.3Å; Y29-V49 HydrophobicContact CE1-CG2 4.28Å; Y29-V49 HydrophobicContact CE2-CG2 4.01Å; V49-R51 HydrophobicContact CG1-CG 4.07Å; V49-E149 HydrophobicContact CG1-CB 4.32Å; V49-V150 WeakPolarHBondContact CA-O 3.32Å; V49-I151 HydrophobicContact CG1-CG1 4.35Å; V49-I151 HydrophobicContact CG2-CG1 4.27Å; V49-I151 HydrophobicContact CG2-CG2 4.4Å
50L86.8Confident70.7Confident0 Ų048.5 Ų48.50%035%0.349CS..EExtended strand (participates in β ladder)trans-102.1127.5170.7-74.567.8000108.4M1 Y7 L48 W72 L79 E149 V150 F152 V174M1-L50 HydrophobicContact CE-CD2 3.77Å; Y7-L50 HydrophobicContact CD1-CD1 4.14Å; Y7-L50 HydrophobicContact CD1-CD2 4.34Å; Y7-L50 HydrophobicContact CD1-CG 3.73Å; Y7-L50 HydrophobicContact CE1-CD1 4.38Å; Y7-L50 HydrophobicContact CE1-CD2 3.8Å; Y7-L50 HydrophobicContact CE1-CG 3.69Å; L48-L50 HydrophobicContact CD1-CD1 4.38Å; L48-L50 HydrophobicContact CD2-CD1 3.74Å; L48-L50 HydrophobicContact CG-CD1 3.69Å; L50-W72 HydrophobicContact CB-CH2 4.45Å; L50-L79 HydrophobicContact CD2-CD1 3.82Å; L50-E149 CarbonylContact O-C 3.58Å; L50-E149 VanDerWaalsContact O-CA 3.27Å; L50-E149 WeakPolarHBondContact O-CA 3.46Å; L50-V150 HydrophobicContact CB-CB 4.34Å; L50-V150 PolarHBondContact N-O 3.44Å; L50-V150 PolarHBondContact O-N 2.9Å; L50-F152 HydrophobicContact CD1-CD2 3.72Å; L50-F152 HydrophobicContact CD1-CE2 3.63Å; L50-F152 HydrophobicContact CD2-CE2 4.22Å; L50-V174 HydrophobicContact CD2-CG1 4.21Å
51R85.1Confident68.6Low105 Ų10552.5 Ų52.540%0.39639%0.392SS..EExtended strand (participates in β ladder)trans-115.7130175.3-57.7-175.164.61583.3109.5C5 D6 V49 R53 E149C5-R51 CarbonylContact C-O 3.53Å; C5-R51 WeakPolarHBondContact CA-O 3.39Å; C5-R51 WeakPolarHBondContact CB-O 3.49Å; D6-R51 HydrophobicContact CB-CB 4.48Å; D6-R51 PolarHBondContact N-O 3.43Å; D6-R51 PolarHBondContact O-N 3.14Å; V49-R51 HydrophobicContact CG1-CG 4.07Å; R51-R53 PolarHBondContact O-N 3.45Å; R51-E149 VanDerWaalsContact CD-OE1 3.29Å; R51-E149 WeakPolarHBondContact CD-OE1 3.46Å; R51-E149 HydrophobicContact CG-CG 4.02Å; R51-E149 IonicContact CZ-OE1 2.93Å; R51-E149 IonicContact NE-OE1 3.48Å; R51-E149 PolarHBondContact NE-OE1 3.32Å; R51-E149 IonicContact NH1-OE1 3.98Å; R51-E149 PolarHBondContact NH1-OE1 2.85Å; R51-E149 IonicContact NH2-OE1 3.75Å
52C76.4Confident66.2Low42 Ų4256 Ų5628%0.28443%0.429SS..EExtended strand (participates in β ladder)trans-70.6127.9175.2-171.70000109.5G54 W72 D148C52-G54 PolarHBondContact O-N 2.96Å; C52-W72 HydrophobicContact CB-CD2 3.83Å; C52-W72 HydrophobicContact CB-CE3 4Å; C52-W72 HydrophobicContact CB-CG 4.41Å; C52-W72 HydrophobicContact CB-CH2 4.06Å; C52-W72 HydrophobicContact CB-CZ2 3.88Å; C52-W72 HydrophobicContact CB-CZ3 4.12Å; C52-D148 PolarHBondContact N-O 3.13Å
53R70Confident63.6Low142 Ų14261.4 Ų61.454%0.53647%0.467SS..  trans-75.581.3168.6-75.8-176.7168.9177.9-0.7108.7Q4 D6 R51 G55Q4-R53 WeakPolarHBondContact O-CB 3.33Å; Q4-R53 PolarHBondContact O-N 3.25Å; D6-R53 VanDerWaalsContact CG-NE 3.34Å; D6-R53 IonicContact OD1-CZ 3.27Å; D6-R53 IonicContact OD1-NE 3.68Å; D6-R53 PolarHBondContact OD1-NE 3.39Å; D6-R53 IonicContact OD1-NH2 2.68Å; D6-R53 PolarHBondContact OD1-NH2 3.26Å; D6-R53 WeakPolarHBondContact OD2-CG 3.46Å; D6-R53 IonicContact OD2-NE 3.7Å; D6-R53 PolarHBondContact OD2-NE 3.35Å; R51-R53 PolarHBondContact O-N 3.45Å; R53-G55 PolarHBondContact O-N 2.86Å
54G57.2Low61.4Low57 Ų5765.5 Ų65.559%0.58849%0.494SS*.  trans-63.4118.9164.300000108.2C52 A56C52-G54 PolarHBondContact O-N 2.96Å; G54-A56 PolarHBondContact O-N 3.37Å
55G49.4Very low59.1Low86 Ų8668.4 Ų68.489%0.88753%0.525SS*.  trans-50.898.8-174.800000112.5R53R53-G55 PolarHBondContact O-N 2.86Å
56A41.1Very low56.8Low106 Ų10673.2 Ų73.288%0.87655%0.554SS**  trans-93.1101.1170.100000107.7G54G54-A56 PolarHBondContact O-N 3.37Å
57G41.5Very low54.7Low79 Ų7976.1 Ų76.181%0.81459%0.585SS**  trans110.169.4161.200000116.7
58S33.2Very low53.1Low116 Ų11680.1 Ų80.181%0.81161%0.613SS**  trans-13296.6143.1-177.50000107.6A60S58-A60 PolarHBondContact O-N 2.91Å; S58-A60 VanDerWaalsContact O-N 3.1Å
59G42.1Very low51.4Low85 Ų8588.9 Ų88.988%0.87665%0.646SS**  trans-67.6102.5169.800000109.6
60A36.8Very low50Low90 Ų9090.9 Ų90.974%0.74467%0.666SS**SBendtrans-174.9132.5147.100000107.4S58S58-A60 PolarHBondContact O-N 2.91Å; S58-A60 VanDerWaalsContact O-N 3.1Å
61G41.4Very low48.9Very low91 Ų9193.4 Ų93.494%0.93869%0.687SS**  trans-57.1142.9-160.300000116.5
62G31.9Very low48.3Very low75 Ų7589.4 Ų89.477%0.77367%0.672SS**  trans-179.9109.9168.800000109.6
63S33.4Very low47.9Very low113 Ų11389.8 Ų89.879%0.7968%0.678SS**  trans7.3144.7169.1-59.80000121.3G65S63-G65 PolarHBondContact O-N 3.13Å
64P39.3Very low48Very low121 Ų12189.9 Ų89.979%0.78668%0.684SS**  trans-67.1104.8-178.829.3-32.2000110.4L66P64-L66 PolarHBondContact O-N 2.89Å
65G37Very low48.6Very low67 Ų6789.4 Ų89.469%0.69167%0.668SS**  trans-68.886.9174.700000111.6S63 G67S63-G65 PolarHBondContact O-N 3.13Å; G65-G67 PolarHBondContact O-N 3.42Å; G65-G67 VanDerWaalsContact O-N 3.09Å
66L38.1Very low49.7Very low162 Ų16285.3 Ų85.385%0.84863%0.626SS**THydrogen-bonded Turntrans-63-5.6171.8-127.378.6000113.6P64P64-L66 PolarHBondContact O-N 2.89Å
67G43Very low51.3Low62 Ų6285 Ų8564%0.63961%0.613SS**Hα-helixtrans-86.3-14.8-176.600000116.2G65G65-G67 PolarHBondContact O-N 3.42Å; G65-G67 VanDerWaalsContact O-N 3.09Å
68S54.1Low52.9Low84 Ų8482.4 Ų82.459%0.58758%0.584SS**Hα-helixtrans-86.7-27.2-176.1-173.50000113.9W72S68-W72 PolarHBondContact O-N 2.97Å
69R53.6Low55.2Low184 Ų18477.2 Ų77.269%0.69455%0.547SS*.Hα-helixtrans-84.1-40.4-174.8-90.4-178.8155.1-179.4-5.8113.4W72 A73R69-W72 PolarHBondContact O-N 3.42Å; R69-A73 PolarHBondContact O-N 3.34Å
70G57.8Low57Low41 Ų4174.2 Ų74.242%0.42352%0.515SS..Hα-helixtrans-64.3-42.2174.300000112.2W72 A73 E74G70-W72 VanDerWaalsContact C-N 3.28Å; G70-W72 PolarHBondContact O-N 3.2Å; G70-A73 PolarHBondContact O-N 3.13Å; G70-E74 PolarHBondContact O-N 3.31Å; G70-E74 VanDerWaalsContact O-N 3.13Å
71A64.9Low59.2Low54 Ų5470.3 Ų70.345%0.44648%0.482SS..Hα-helixtrans-62-32.3176.700000113.2L75A71-L75 WeakPolarHBondContact O-CB 3.49Å; A71-L75 PolarHBondContact O-N 2.89Å
72W71.1Confident61.3Low20 Ų2070.7 Ų70.78%0.07646%0.462CS..Hα-helixtrans-70.3-44.6175.7178-110.9000112.3M1 C5 L50 C52 S68 R69 G70 E74 L75 A76 V150M1-W72 HydrophobicContact CE-CH2 4.28Å; M1-W72 HydrophobicContact CE-CZ3 4.04Å; M1-W72 HydrophobicContact SD-CZ3 4.2Å; C5-W72 VanDerWaalsContact SG-CH2 3.53Å; C5-W72 WeakPolarHBondContact SG-CZ3 3.44Å; L50-W72 HydrophobicContact CB-CH2 4.45Å; C52-W72 HydrophobicContact CB-CD2 3.83Å; C52-W72 HydrophobicContact CB-CE3 4Å; C52-W72 HydrophobicContact CB-CG 4.41Å; C52-W72 HydrophobicContact CB-CH2 4.06Å; C52-W72 HydrophobicContact CB-CZ2 3.88Å; C52-W72 HydrophobicContact CB-CZ3 4.12Å; S68-W72 PolarHBondContact O-N 2.97Å; R69-W72 PolarHBondContact O-N 3.42Å; G70-W72 VanDerWaalsContact C-N 3.28Å; G70-W72 PolarHBondContact O-N 3.2Å; W72-E74 PolarHBondContact O-N 2.74Å; W72-L75 HydrophobicContact CE3-CD2 4.17Å; W72-L75 HydrophobicContact CZ3-CD2 3.98Å; W72-L75 PolarHBondContact O-N 3.13Å; W72-A76 WeakPolarHBondContact O-CB 3.29Å; W72-A76 PolarHBondContact O-N 3.29Å; W72-V150 HydrophobicContact CH2-CG2 4.44Å; W72-V150 HydrophobicContact CZ2-CG2 3.72Å
73A68.8Low63.8Low50 Ų5067.9 Ų67.941%0.41343%0.432SS..Hα-helixtrans-63.3-41.5178.900000112R69 G70 T77R69-A73 PolarHBondContact O-N 3.34Å; G70-A73 PolarHBondContact O-N 3.13Å; A73-T77 WeakPolarHBondContact O-CG2 3.42Å; A73-T77 PolarHBondContact O-N 2.79Å; A73-T77 VanDerWaalsContact O-N 3.16Å; A73-T77 PolarHBondContact O-OG1 2.8Å
74E71.8Confident66.3Low144 Ų14465.4 Ų65.467%0.67341%0.414SS*.Hα-helixtrans-66.1-41.9174.1-71-178.6179.600112.3G70 W72 T77 A78G70-E74 PolarHBondContact O-N 3.31Å; G70-E74 VanDerWaalsContact O-N 3.13Å; W72-E74 PolarHBondContact O-N 2.74Å; E74-T77 PolarHBondContact O-OG1 3.29Å; E74-A78 WeakPolarHBondContact O-CB 3.4Å; E74-A78 PolarHBondContact O-N 2.89Å
75L71.1Confident68.5Low47 Ų4761.4 Ų61.425%0.24639%0.388CS..Hα-helixtrans-65.1-45.6175.9-175.1143.7000111.1M1 A71 W72 T77 A78 L79M1-L75 HydrophobicContact CE-CD2 4.13Å; M1-L75 HydrophobicContact SD-CD1 4.48Å; M1-L75 HydrophobicContact SD-CD2 3.97Å; A71-L75 WeakPolarHBondContact O-CB 3.49Å; A71-L75 PolarHBondContact O-N 2.89Å; W72-L75 HydrophobicContact CE3-CD2 4.17Å; W72-L75 HydrophobicContact CZ3-CD2 3.98Å; W72-L75 PolarHBondContact O-N 3.13Å; L75-T77 VanDerWaalsContact C-N 3.32Å; L75-T77 PolarHBondContact O-N 2.87Å; L75-A78 CarbonylContact O-C 3.45Å; L75-A78 PolarHBondContact O-N 3.07Å; L75-L79 HydrophobicContact CD2-CD1 3.68Å; L75-L79 HydrophobicContact CD2-CD2 4.24Å; L75-L79 HydrophobicContact CD2-CG 3.94Å; L75-L79 WeakPolarHBondContact O-CG 2.96Å; L75-L79 PolarHBondContact O-N 2.8Å
76A72.4Confident70.9Confident0 Ų060.6 Ų60.60%037%0.371CS..Hα-helixtrans-58.2-40.8-178.700000113.2W72 A78 L79 V145 V150W72-A76 WeakPolarHBondContact O-CB 3.29Å; W72-A76 PolarHBondContact O-N 3.29Å; A76-A78 VanDerWaalsContact C-N 3.33Å; A76-L79 PolarHBondContact O-N 2.59Å; A76-V145 HydrophobicContact CB-CB 4.48Å; A76-V145 HydrophobicContact CB-CG1 3.59Å; A76-V145 HydrophobicContact CB-CG2 4.05Å; A76-V150 HydrophobicContact CB-CG2 3.36Å
77T73.7Confident73.1Confident99 Ų9955.3 Ų55.361%0.60735%0.351SS*.Hα-helixtrans-72.9-25.8176.649.20000112.9A73 E74 L75 V145A73-T77 WeakPolarHBondContact O-CG2 3.42Å; A73-T77 PolarHBondContact O-N 2.79Å; A73-T77 VanDerWaalsContact O-N 3.16Å; A73-T77 PolarHBondContact O-OG1 2.8Å; E74-T77 PolarHBondContact O-OG1 3.29Å; L75-T77 VanDerWaalsContact C-N 3.32Å; L75-T77 PolarHBondContact O-N 2.87Å; T77-V145 HydrophobicContact CG2-CG2 4.37Å
78A76.4Confident74.5Confident25 Ų2553 Ų5321%0.20733%0.327CS..THydrogen-bonded Turntrans-88.60.9176.300000113.9E74 L75 A76 K176 R177E74-A78 WeakPolarHBondContact O-CB 3.4Å; E74-A78 PolarHBondContact O-N 2.89Å; L75-A78 CarbonylContact O-C 3.45Å; L75-A78 PolarHBondContact O-N 3.07Å; A76-A78 VanDerWaalsContact C-N 3.33Å; A78-K176 HydrophobicContact CB-CG 4.13Å; A78-K176 CarbonylContact O-C 3.59Å; A78-K176 WeakPolarHBondContact O-CA 3.28Å; A78-R177 WeakPolarHBondContact O-CA 2.98Å; A78-R177 VanDerWaalsContact O-CB 3.27Å; A78-R177 WeakPolarHBondContact O-CB 3.25Å; A78-R177 PolarHBondContact O-N 2.71Å
79L80.4Confident74.2Confident7 Ų753.1 Ų53.14%0.03734%0.342CS..EExtended strand (participates in β ladder)trans-88.3143.6179.8-73177.4000112.3M1 L50 L75 A76 F152 V174 W175 F209M1-L79 HydrophobicContact CE-CD1 4.21Å; L50-L79 HydrophobicContact CD2-CD1 3.82Å; L75-L79 HydrophobicContact CD2-CD1 3.68Å; L75-L79 HydrophobicContact CD2-CD2 4.24Å; L75-L79 HydrophobicContact CD2-CG 3.94Å; L75-L79 WeakPolarHBondContact O-CG 2.96Å; L75-L79 PolarHBondContact O-N 2.8Å; A76-L79 PolarHBondContact O-N 2.59Å; L79-F152 HydrophobicContact CB-CE1 4.39Å; L79-F152 HydrophobicContact CB-CZ 3.67Å; L79-F152 HydrophobicContact CD1-CZ 4.44Å; L79-V174 HydrophobicContact CD1-CG1 4.4Å; L79-V174 HydrophobicContact CD2-CG1 4.15Å; L79-W175 WeakPolarHBondContact CA-O 3.5Å; L79-F209 HydrophobicContact CD2-CD1 4.36Å
80A79.9Confident73.5Confident23 Ų2347.5 Ų47.519%0.1934%0.341CS..EExtended strand (participates in β ladder)trans-125.9151.9170.100000109.9V174 W175 R177A80-V174 CarbonylContact O-C 3.51Å; A80-V174 WeakPolarHBondContact O-CA 3.47Å; A80-W175 HydrophobicContact CB-CD2 4.27Å; A80-W175 HydrophobicContact CB-CZ2 3.96Å; A80-W175 PolarHBondContact N-O 3.26Å; A80-W175 PolarHBondContact O-N 3.09Å; A80-R177 HydrophobicContact CB-CB 4.44Å
81A83.4Confident72.3Confident8 Ų854 Ų547%0.06636%0.363CS..EExtended strand (participates in β ladder)trans-138.2144178.600000111.3L48 F152 L154 V172 T173 V174L48-A81 HydrophobicContact CD2-CB 4.42Å; A81-F152 HydrophobicContact CB-CB 4.2Å; A81-F152 HydrophobicContact CB-CD1 3.61Å; A81-F152 HydrophobicContact CB-CD2 4.26Å; A81-F152 HydrophobicContact CB-CE1 4.01Å; A81-F152 HydrophobicContact CB-CG 3.76Å; A81-L154 HydrophobicContact CB-CD1 4.23Å; A81-L154 HydrophobicContact CB-CD2 4.27Å; A81-V172 HydrophobicContact CB-CG1 4.05Å; A81-T173 VanDerWaalsContact CA-O 3.32Å; A81-T173 WeakPolarHBondContact CA-O 3.25Å; A81-V174 HydrophobicContact CB-CG2 4.14Å
82L84.6Confident70.9Confident99 Ų9957 Ų5752%0.51838%0.378SS..EExtended strand (participates in β ladder)trans-135.1132174.6-177.773.8000110.5V172 T173 W175L82-V172 WeakPolarHBondContact O-CA 3.48Å; L82-T173 PolarHBondContact N-O 2.77Å; L82-T173 PolarHBondContact O-N 3.01Å; L82-W175 HydrophobicContact CB-CH2 3.5Å; L82-W175 VanDerWaalsContact CB-CH2 3.5Å; L82-W175 HydrophobicContact CB-CZ3 3.53Å
83A85.4Confident69Low16 Ų1659.6 Ų59.613%0.13241%0.41CS..EExtended strand (participates in β ladder)trans-90.7137.1173.800000110.9F46 L154 V156 V171 V172F46-A83 HydrophobicContact CE1-CB 3.85Å; F46-A83 HydrophobicContact CZ-CB 3.57Å; A83-L154 HydrophobicContact CB-CB 4.24Å; A83-L154 HydrophobicContact CB-CD1 4.32Å; A83-V156 HydrophobicContact CB-CB 4.22Å; A83-V171 CarbonylContact C-O 3.54Å; A83-V171 WeakPolarHBondContact CA-O 3.43Å; A83-V172 HydrophobicContact CB-CG2 4.31Å
84S84.9Confident67.2Low60 Ų6061.5 Ų61.542%0.4244%0.435SS..EExtended strand (participates in β ladder)trans-130.4156.9166.966.70000109.9V171S84-V171 PolarHBondContact N-O 3.04Å; S84-V171 PolarHBondContact O-N 3.32Å
85V87.3Confident65.1Low37 Ų3757.9 Ų57.922%0.22444%0.436CS..EExtended strand (participates in β ladder)trans-126.3142.6178.766.90000110.6V156 S157 L158 L161 A168 K169 I170V85-V156 HydrophobicContact CB-CG2 3.76Å; V85-V156 HydrophobicContact CG1-CG2 3.83Å; V85-S157 WeakPolarHBondContact CG1-O 3.45Å; V85-L158 HydrophobicContact CB-CD2 4.36Å; V85-L158 HydrophobicContact CG1-CD2 4.36Å; V85-L158 HydrophobicContact CG2-CD2 3.72Å; V85-L161 HydrophobicContact CG2-CD1 3.98Å; V85-L161 HydrophobicContact CG2-CD2 4.3Å; V85-L161 HydrophobicContact CG2-CG 4.44Å; V85-A168 HydrophobicContact CG2-CB 4.04Å; V85-K169 WeakPolarHBondContact CA-O 3.29Å; V85-I170 HydrophobicContact CG2-CG1 4.27Å
86S85.4Confident63.3Low50 Ų5060 Ų6035%0.3547%0.47SS..EExtended strand (participates in β ladder)trans-138.8157.3174.655.20000110.2G88 K169S86-G88 PolarHBondContact O-N 2.92Å; S86-K169 PolarHBondContact N-O 2.59Å; S86-K169 PolarHBondContact O-N 3.25Å; S86-K169 PolarHBondContact OG-O 2.7Å
87A85.8Confident61.3Low51 Ų5164.6 Ų64.642%0.42151%0.507SS..EExtended strand (participates in β ladder)trans-62.3126.2171.600000109G89 L161 T165A87-G89 PolarHBondContact O-N 3.33Å; A87-L161 HydrophobicContact CB-CD2 4.45Å; A87-T165 HydrophobicContact CB-CG2 3.93Å
88G70.9Confident59Low14 Ų1463.2 Ų63.214%0.14451%0.513CS..  trans-69104177.900000109.6S86 G90 K167S86-G88 PolarHBondContact O-N 2.92Å; G88-G90 PolarHBondContact O-N 2.73Å; G88-K167 WeakPolarHBondContact CA-O 3.16Å; G88-K167 PolarHBondContact N-O 3.2Å
89G48.7Very low56.8Low87 Ų8769.9 Ų69.990%0.89755%0.545SS*.  trans-50.1109.9-175.700000113.2A87A87-G89 PolarHBondContact O-N 3.33Å
90G39Very low54.3Low66 Ų6677.8 Ų77.868%0.6858%0.582SS**  trans-130.895.9155.700000106.3G88G88-G90 PolarHBondContact O-N 2.73Å
91M31.7Very low51.8Low177 Ų17784 Ų8487%0.87261%0.612SS**PPolyproline II helixtrans-56.1130160.4-137.679.38900106.2G93M91-G93 PolarHBondContact O-N 3.35Å; M91-G93 VanDerWaalsContact O-N 3.15Å
92P37.5Very low49.1Very low118 Ų11889 Ų8977%0.76665%0.646SS**PPolyproline II helixtrans-59121.8156.3-3.217.9000105.2G94P92-G94 PolarHBondContact O-N 2.87Å
93G29.6Very low46.3Very low73 Ų7392.1 Ų92.175%0.75366%0.658SS**PPolyproline II helixtrans-51.1130.6-174.700000111.6M91 G95M91-G93 PolarHBondContact O-N 3.35Å; M91-G93 VanDerWaalsContact O-N 3.15Å; G93-G95 VanDerWaalsContact C-N 3.33Å; G93-G95 PolarHBondContact O-N 3.2Å
94G32.2Very low43.6Very low90 Ų9096.1 Ų96.193%0.92868%0.683SS**  trans-63.397159.900000108.8P92P92-G94 PolarHBondContact O-N 2.87Å
95G26.4Very low41Very low68 Ų6899.4 Ų99.470%0.70170%0.703SS**  trans-112.3115.9153.800000106.2G93 A97G93-G95 VanDerWaalsContact C-N 3.33Å; G93-G95 PolarHBondContact O-N 3.2Å; G95-A97 PolarHBondContact O-N 2.99Å; G95-A97 VanDerWaalsContact O-N 3.12Å
96G34.1Very low38Very low92 Ų92100.5 Ų100.595%0.94872%0.722SS**  trans-55.2116.2-178.500000112
97A29.8Very low35.3Very low96 Ų96102.1 Ų102.179%0.79375%0.746SS**  trans-120.6118.9150.800000104.3G95G95-A97 PolarHBondContact O-N 2.99Å; G95-A97 VanDerWaalsContact O-N 3.12Å
98G24.8Very low32.4Very low70 Ų70102.8 Ų102.872%0.72276%0.758SS**  trans-56.5164.7-17000000113.4Q100G98-Q100 PolarHBondContact O-N 3.06Å
99D30.8Very low30.2Very low166 Ų166107.3 Ų107.389%0.88878%0.779SS**  trans-41.491.9158.5-81.9-27.4000110
100Q27.3Very low29.6Very low173 Ų173108 Ų10881%0.80877%0.767SS**  trans-103.798.7139.5-81.5178.873.700103.2G98 S102G98-Q100 PolarHBondContact O-N 3.06Å; Q100-S102 PolarHBondContact O-N 3.44Å; Q100-S102 PolarHBondContact O-OG 2.99Å
101D27.3Very low29.3Very low153 Ų153106.4 Ų106.482%0.81875%0.752SS**  trans-38.793.9148.9-89.6-38.8000107E103D101-E103 PolarHBondContact O-N 2.83Å
102S27.1Very low29.3Very low112 Ų112100.7 Ų100.778%0.78374%0.738SS**  trans-73.492.5166.4-58.40000102.4Q100Q100-S102 PolarHBondContact O-N 3.44Å; Q100-S102 PolarHBondContact O-OG 2.99Å
103E25.8Very low29.6Very low166 Ų16698.6 Ų98.678%0.77674%0.737SS**  trans-32.4139.1165.1-83.8-128.612400109.4D101 P105D101-E103 PolarHBondContact O-N 2.83Å; E103-P105 VanDerWaalsContact O-N 3.09Å
104P28.5Very low30.8Very low100 Ų10096.7 Ų96.765%0.64972%0.718SS**  trans-48.2128.417722.7-32.4000107G106P104-G106 VanDerWaalsContact C-N 3.32Å; P104-G106 WeakPolarHBondContact O-CA 3.41Å; P104-G106 PolarHBondContact O-N 3.15Å
105P31.7Very low32.9Very low128 Ų12899.7 Ų99.783%0.83171%0.712SS**  trans-56.1111.5175.322.6-29.7000104.9E103 G107E103-P105 VanDerWaalsContact O-N 3.09Å; P105-G107 PolarHBondContact O-N 2.82Å
106G24.2Very low35.7Very low61 Ų6199.4 Ų99.463%0.62969%0.692SS**  trans-47.6142.2-161.900000110.2P104 G108P104-G106 VanDerWaalsContact C-N 3.32Å; P104-G106 WeakPolarHBondContact O-CA 3.41Å; P104-G106 PolarHBondContact O-N 3.15Å; G106-G108 VanDerWaalsContact C-N 3.35Å; G106-G108 PolarHBondContact O-N 3.2Å
107G28.7Very low38.4Very low84 Ų84101.7 Ų101.787%0.86667%0.672SS**  trans-2898.4178.500000110.7P105 D109P105-G107 PolarHBondContact O-N 2.82Å; G107-D109 PolarHBondContact O-N 2.76Å
108G24Very low41.1Very low65 Ų65100.2 Ų100.267%0.6767%0.666SS**  trans-64107.5-18000000106.1G106G106-G108 VanDerWaalsContact C-N 3.35Å; G106-G108 PolarHBondContact O-N 3.2Å
109D26.1Very low44.3Very low109 Ų10997.6 Ų97.658%0.58364%0.636SS**  trans-32129.1170.5-117.1-23.7000110.1G107 G111G107-D109 PolarHBondContact O-N 2.76Å; D109-G111 PolarHBondContact O-N 2.97Å
110P34.7Very low47.1Very low100 Ų10092.7 Ų92.765%0.64962%0.615SS**THydrogen-bonded Turntrans-65.64.7174.926-30.9000113.2
111G32.4Very low50Low34 Ų3486.6 Ų86.635%0.35159%0.59SS.*THydrogen-bonded Turntrans-95.612.2-177.300000117.3D109 G113D109-G111 PolarHBondContact O-N 2.97Å; G111-G113 PolarHBondContact O-N 2.74Å; G111-G113 VanDerWaalsContact O-N 3.11Å
112G32.9Very low52.8Low56 Ų5681.8 Ų81.858%0.57756%0.564SS**  trans-84.363.7-179.900000114.7G114G112-G114 PolarHBondContact O-N 2.6Å
113G43.3Very low55.6Low74 Ų7478.7 Ų78.776%0.76354%0.539SS*.THydrogen-bonded Turntrans-71106.3177.900000112.7G111G111-G113 PolarHBondContact O-N 2.74Å; G111-G113 VanDerWaalsContact O-N 3.11Å
114G54.6Low58.3Low34 Ų3470.9 Ų70.935%0.35150%0.502SS..THydrogen-bonded Turntrans170.1-38.6163.800000116.8G112 R228G112-G114 PolarHBondContact O-N 2.6Å; G114-R228 PolarHBondContact O-NH1 2.82Å
115L77.4Confident60.9Low153 Ų15368.7 Ų68.780%0.80148%0.483SS*.  trans-106.1141-166-66.8162.2000112.8R117L115-R117 PolarHBondContact O-N 2.83Å
116F85.4Confident63.2Low62 Ų6263 Ų6327%0.27245%0.448SS..PPolyproline II helixtrans-68.5123.6170.1-81.3-92.5000109.8R226 R228 A239 K241F116-R226 HydrophobicContact CB-CB 3.92Å; F116-R226 HydrophobicContact CD1-CB 4.18Å; F116-R226 HydrophobicContact CG-CB 4.48Å; F116-R228 HydrophobicContact CD1-CB 3.81Å; F116-R228 HydrophobicContact CE1-CB 3.91Å; F116-R228 HydrophobicContact CG-CB 4.14Å; F116-R228 HydrophobicContact CZ-CB 4.32Å; F116-A239 HydrophobicContact CE1-CB 4.16Å; F116-A239 HydrophobicContact CZ-CB 4.31Å; F116-K241 HydrophobicContact CD1-CB 3.8Å; F116-K241 HydrophobicContact CE1-CB 3.62Å; F116-K241 HydrophobicContact CZ-CB 4.31Å
117R88.8Confident65.2Low140 Ų14063 Ų6353%0.52844%0.437SS..EExtended strand (participates in β ladder)trans-87.5139.3175.8-64.9-174.9-175.6179.80.8110.3L115 R226 C227L115-R117 PolarHBondContact O-N 2.83Å; R117-R226 CarbonylContact O-C 3.44Å; R117-R226 WeakPolarHBondContact O-CA 3.31Å; R117-R226 WeakPolarHBondContact O-CB 3.32Å; R117-C227 PolarHBondContact N-O 2.87Å; R117-C227 PolarHBondContact O-N 2.9Å
118G88.4Confident66.5Low65 Ų6561.6 Ų61.667%0.6742%0.422SS*.EExtended strand (participates in β ladder)trans-68140.8173.800000111.9
119C91Very high67.2Low14 Ų1463 Ų6310%0.09542%0.419CS..EExtended strand (participates in β ladder)trans-110.7127.7178.3-61.50000109.9L225 C227 R359 L360C119-L225 HydrophobicContact CB-CB 4.13Å; C119-L225 HydrophobicContact CB-CD2 4.19Å; C119-L225 HydrophobicContact CB-CG 4.3Å; C119-L225 WeakPolarHBondContact CB-O 3.4Å; C119-L225 PolarHBondContact N-O 2.8Å; C119-C227 WeakPolarHBondContact SG-CB 3.5Å; C119-R359 VanDerWaalsContact CB-O 3.31Å; C119-R359 WeakPolarHBondContact CB-O 3.26Å; C119-L360 HydrophobicContact CB-CD2 4.28Å; C119-L360 VanDerWaalsContact SG-CD2 3.52Å
120S89.1Confident67.5Low63 Ų6362 Ų6244%0.44143%0.426SS..  trans-82.7134.1-177.957.30000111.4Y358 R359S120-Y358 WeakPolarHBondContact O-CA 3.39Å; S120-R359 PolarHBondContact O-N 3.19Å
121P89.3Confident67.5Low45 Ų4562.2 Ų62.229%0.29243%0.426SS..EExtended strand (participates in β ladder)trans-68.7137172.229.7-33.6000110.5P163 P222 T356 H357 Y358P121-P163 HydrophobicContact CB-CB 4.21Å; P121-P163 HydrophobicContact CG-CB 4.15Å; P121-P222 HydrophobicContact CB-CG 4.45Å; P121-T356 HydrophobicContact CB-CG2 4.03Å; P121-H357 CarbonylContact C-O 3.52Å; P121-H357 WeakPolarHBondContact CA-O 3.45Å; P121-Y358 HydrophobicContact CB-CD1 4.15Å; P121-Y358 HydrophobicContact CB-CE1 3.97Å
122L85.6Confident67.1Low53 Ų5364.3 Ų64.328%0.27744%0.435SS..EExtended strand (participates in β ladder)trans-106.6-38.6-179.1-64.5175.5000112.2P163 Y266 H357 R359L122-P163 VanDerWaalsContact C-CG 3.47Å; L122-P163 WeakPolarHBondContact O-CG 3.46Å; L122-Y266 HydrophobicContact CB-CD1 4.49Å; L122-Y266 HydrophobicContact CD1-CD2 4.47Å; L122-Y266 HydrophobicContact CD1-CG 4.17Å; L122-H357 PolarHBondContact N-O 3.45Å; L122-R359 HydrophobicContact CD1-CB 3.91Å; L122-R359 HydrophobicContact CD2-CB 4.11Å; L122-R359 HydrophobicContact CG-CB 4.05Å
123L85.5Confident66.8Low47 Ų4766 Ų6625%0.24645%0.453CS..EExtended strand (participates in β ladder)trans-153.1137.4-177.7178.964.9000109.3H125 Y266 T356 H357L123-H125 WeakPolarHBondContact CD2-ND1 3.3Å; L123-Y266 HydrophobicContact CB-CE1 4.01Å; L123-Y266 HydrophobicContact CD2-CE1 3.96Å; L123-T356 WeakPolarHBondContact O-CA 3.39Å; L123-H357 HydrophobicContact CB-CB 4.27Å; L123-H357 PolarHBondContact O-N 2.71Å
124T82.9Confident65.9Low1 Ų165.2 Ų65.21%0.00645%0.445CS..EExtended strand (participates in β ladder)trans-130.4121.9171.9-55.10000109.6L40 I354 Y355 T356L40-T124 HydrophobicContact CB-CG2 4.18Å; L40-T124 HydrophobicContact CD2-CG2 4.37Å; L40-T124 HydrophobicContact CG-CG2 4.19Å; L40-T124 WeakPolarHBondContact O-CG2 3.45Å; T124-I354 HydrophobicContact CG2-CG2 3.4Å; T124-Y355 VanDerWaalsContact CA-O 3.31Å; T124-Y355 WeakPolarHBondContact CA-O 3.38Å; T124-T356 WeakPolarHBondContact CG2-OG1 3.47Å; T124-T356 WeakPolarHBondContact OG1-CG2 3.19Å
125H83.7Confident64.6Low55 Ų5568.5 Ų68.526%0.25547%0.469SS..EExtended strand (participates in β ladder)trans-144.9148.218060-94.4000111L123 D159 Y355 H357L123-H125 WeakPolarHBondContact CD2-ND1 3.3Å; H125-D159 HydrophobicContact CB-CB 4.01Å; H125-Y355 PolarHBondContact N-O 3.49Å; H125-Y355 PolarHBondContact O-N 3.29Å; H125-H357 AromaticContact CE1-CE1 3.2Å; H125-H357 PolarHBondContact CE1-CE1 2.92Å; H125-H357 AromaticContact CE1-ND1 3.76Å; H125-H357 AromaticContact ND1-CE1 3.93Å
126G78.7Confident62.2Low8 Ų865.6 Ų65.68%0.08246%0.457CS..  trans-75.7166.4165.800000111G41 G128G41-G126 WeakPolarHBondContact O-CA 2.91Å; G41-G126 PolarHBondContact O-N 3.15Å; G126-G128 PolarHBondContact O-N 3.33Å
127P67.6Low59.9Low61 Ų6167.9 Ų67.940%0.39648%0.477SS..  trans-57.7108.716525.2-30.1000106.5S353 Y355P127-S353 WeakPolarHBondContact CD-O 3.46Å; P127-Y355 HydrophobicContact CB-CE2 4.14Å; P127-Y355 HydrophobicContact CG-CE2 4.48Å
128G54.4Low57.8Low54 Ų5465.6 Ų65.656%0.55747%0.474SS*.  trans-57.1153.4169.600000108.9G126 A130G126-G128 PolarHBondContact O-N 3.33Å; G128-A130 PolarHBondContact O-N 2.8Å; G128-A130 VanDerWaalsContact O-N 3.11Å
129P39.7Very low55.8Low94 Ų9468 Ų6861%0.6148%0.478SS*.SBendtrans-51.4126.8161.825.1-31.2000106.5T131P129-T131 PolarHBondContact O-N 3.13Å
130A32.2Very low54.2Low89 Ų8972.5 Ų72.574%0.73651%0.505SS*.  trans-40.8133.1-174.400000110.5G128 S132G128-A130 PolarHBondContact O-N 2.8Å; G128-A130 VanDerWaalsContact O-N 3.11Å; A130-S132 VanDerWaalsContact C-N 3.26Å; A130-S132 PolarHBondContact O-N 3.29Å
131T35.7Very low53Low105 Ų10572.3 Ų72.364%0.64450%0.497SS*.  trans-5686.9176.146.50000111.3P129 P271P129-T131 PolarHBondContact O-N 3.13Å; T131-P271 HydrophobicContact CG2-CB 3.69Å; T131-P271 HydrophobicContact CG2-CG 3.44Å; T131-P271 VanDerWaalsContact CG2-CG 3.44Å; T131-P271 WeakPolarHBondContact OG1-CB 3.23Å
132S24.1Very low52.2Low78 Ų7876.7 Ų76.755%0.54551%0.513SS..  trans-87.3125.1142.451.70000106.1A130 G134A130-S132 VanDerWaalsContact C-N 3.26Å; A130-S132 PolarHBondContact O-N 3.29Å; S132-G134 PolarHBondContact O-N 2.61Å; S132-G134 VanDerWaalsContact O-N 3.15Å
133G25.9Very low51.9Low92 Ų9275.5 Ų75.595%0.94851%0.509SS*.SBendtrans-51.8122.5179.600000111
134G23.5Very low51.7Low57 Ų5773.7 Ų73.759%0.58850%0.499SS*.SBendtrans136.3132.4-179.500000109.8S132 T136S132-G134 PolarHBondContact O-N 2.61Å; S132-G134 VanDerWaalsContact O-N 3.15Å; G134-T136 PolarHBondContact O-N 2.92Å; G134-T136 PolarHBondContact O-OG1 3.12Å
135A27.2Very low51.6Low103 Ų10376.5 Ų76.585%0.85152%0.516SS*.  trans-60.878.3165.500000108.9T137A135-T137 PolarHBondContact O-N 2.9Å
136T28.1Very low51.3Low91 Ų9175.6 Ų75.656%0.55852%0.516SS*.  trans-76.387.1170.316.50000105.7G134 L138G134-T136 PolarHBondContact O-N 2.92Å; G134-T136 PolarHBondContact O-OG1 3.12Å; T136-L138 PolarHBondContact O-N 3.49Å; T136-L138 VanDerWaalsContact O-N 3.14Å
137T37.6Very low50.9Low111 Ų11180.1 Ų80.168%0.68154%0.543SS*.  trans-41.6119.2148.343.30000106.7A135A135-T137 PolarHBondContact O-N 2.9Å
138L44.6Very low51.4Low92 Ų9281.1 Ų81.148%0.48254%0.544SS..  trans-46.5138.4166.1-70.7165.8000107.1T136 V140 T155T136-L138 PolarHBondContact O-N 3.49Å; T136-L138 VanDerWaalsContact O-N 3.14Å; L138-V140 PolarHBondContact O-N 2.91Å; L138-T155 HydrophobicContact CD1-CG2 3.68Å
139P45.9Very low52.8Low116 Ų11679.1 Ų79.175%0.75352%0.521SS*.  trans-50.5120.7-172.119.5-31.5000108.9E141P139-E141 VanDerWaalsContact C-N 3.32Å; P139-E141 PolarHBondContact O-N 2.76Å
140V56.3Low55Low107 Ų10774.6 Ų74.665%0.64849%0.492SS*.  trans-62.6101.6176.21780000105.9L138 E142L138-V140 PolarHBondContact O-N 2.91Å; V140-E142 PolarHBondContact O-N 2.84Å
141E65.8Low57.6Low60 Ų6070.4 Ų70.428%0.2846%0.457SS..PPolyproline II helixtrans-68.4132.4-179.5-170.8178.2-155.100108R45 P139 P153R45-E141 IonicContact CZ-OE2 3.47Å; R45-E141 IonicContact NE-OE2 2.68Å; R45-E141 VanDerWaalsContact NH2-CD 3.33Å; R45-E141 IonicContact NH2-OE1 2.74Å; R45-E141 PolarHBondContact NH2-OE1 2.83Å; R45-E141 IonicContact NH2-OE2 3.17Å; R45-E141 PolarHBondContact NH2-OE2 3.27Å; P139-E141 VanDerWaalsContact C-N 3.32Å; P139-E141 PolarHBondContact O-N 2.76Å; E141-P153 HydrophobicContact CB-CG 3.93Å; E141-P153 HydrophobicContact CG-CG 3.83Å; E141-P153 WeakPolarHBondContact OE2-CB 3.29Å; E141-P153 WeakPolarHBondContact OE2-CG 3.24Å
142E71.2Confident60Low136 Ų13665.7 Ų65.764%0.63643%0.427SS*.PPolyproline II helixtrans-58.8154.2-174.4-68.1-177162.700111.3R19 V140R19-E142 PolarHBondContact NH1-O 2.89Å; R19-E142 IonicContact NH2-OE2 3.03Å; V140-E142 PolarHBondContact O-N 2.84Å
143P80.3Confident62.9Low29 Ų2962.4 Ų62.419%0.18840%0.404CS..PPolyproline II helixtrans-61.2146.617122.8-30.1000111.3R19 V145 V150 I151 F152R19-P143 PolarHBondContact NH2-O 2.9Å; P143-V145 HydrophobicContact CB-CG2 4.49Å; P143-V150 HydrophobicContact CB-CG1 3.87Å; P143-I151 WeakPolarHBondContact CA-O 3.46Å; P143-F152 HydrophobicContact CB-CD1 3.86Å; P143-F152 HydrophobicContact CB-CE1 3.59Å; P143-F152 HydrophobicContact CB-CZ 4.06Å; P143-F152 HydrophobicContact CG-CE1 3.99Å
144I80.9Confident65.8Low8 Ų858.8 Ų58.84%0.04136%0.363CS..EExtended strand (participates in β ladder)trans-93.7114.6166.2-60.7165.4000106.3R19 L22 A23 I151R19-I144 HydrophobicContact CG-CD1 4.08Å; R19-I144 HydrophobicContact CG-CG1 4.1Å; L22-I144 HydrophobicContact CB-CD1 4.06Å; L22-I144 HydrophobicContact CD2-CD1 3.81Å; L22-I144 HydrophobicContact CG-CD1 4.18Å; A23-I144 HydrophobicContact CB-CG2 4.02Å; I144-I151 HydrophobicContact CB-CB 4.28Å; I144-I151 PolarHBondContact N-O 3Å; I144-I151 PolarHBondContact O-N 2.88Å
145V80.6Confident68.7Low60 Ų6058.6 Ų58.636%0.36435%0.351SS..EExtended strand (participates in β ladder)trans-100.8120.5-178.1-178.10000109A76 T77 P143 V150A76-V145 HydrophobicContact CB-CB 4.48Å; A76-V145 HydrophobicContact CB-CG1 3.59Å; A76-V145 HydrophobicContact CB-CG2 4.05Å; T77-V145 HydrophobicContact CG2-CG2 4.37Å; P143-V145 HydrophobicContact CB-CG2 4.49Å; V145-V150 HydrophobicContact CG2-CG1 4.37Å
146S76.4Confident71.6Confident36 Ų3654.2 Ų54.225%0.25231%0.313SS..  trans-111176.4170.8-169.70000110.3D148 E149S146-D148 VanDerWaalsContact C-N 3.28Å; S146-D148 PolarHBondContact O-N 3.02Å; S146-E149 WeakPolarHBondContact CA-O 3.39Å; S146-E149 WeakPolarHBondContact CB-O 3.32Å; S146-E149 PolarHBondContact N-O 2.86Å
147T71.9Confident74.3Confident104 Ų10451.8 Ų51.864%0.63830%0.3SS*.SBendtrans-58.3-39.2-176.149.40000112.8
148D78.1Confident76.6Confident81 Ų8146.5 Ų46.543%0.43327%0.267SS..SBendtrans-125.7-4.4-175.3-55.6-43.7000113.6C52 S146C52-D148 PolarHBondContact N-O 3.13Å; S146-D148 VanDerWaalsContact C-N 3.28Å; S146-D148 PolarHBondContact O-N 3.02Å
149E83.9Confident78.4Confident12 Ų1244.6 Ų44.66%0.05626%0.258CS..EExtended strand (participates in β ladder)trans-132.2144.7-177.4-50.8-161.9154.700112.3Y29 R30 V49 L50 R51 S146Y29-E149 PolarHBondContact OH-OE2 3.49Å; R30-E149 IonicContact CZ-OE1 3.88Å; R30-E149 IonicContact NH2-OE1 3.81Å; R30-E149 PolarHBondContact NH2-OE1 2.95Å; R30-E149 IonicContact NH2-OE2 3.19Å; V49-E149 HydrophobicContact CG1-CB 4.32Å; L50-E149 CarbonylContact O-C 3.58Å; L50-E149 VanDerWaalsContact O-CA 3.27Å; L50-E149 WeakPolarHBondContact O-CA 3.46Å; R51-E149 VanDerWaalsContact CD-OE1 3.29Å; R51-E149 WeakPolarHBondContact CD-OE1 3.46Å; R51-E149 HydrophobicContact CG-CG 4.02Å; R51-E149 IonicContact CZ-OE1 2.93Å; R51-E149 IonicContact NE-OE1 3.48Å; R51-E149 PolarHBondContact NE-OE1 3.32Å; R51-E149 IonicContact NH1-OE1 3.98Å; R51-E149 PolarHBondContact NH1-OE1 2.85Å; R51-E149 IonicContact NH2-OE1 3.75Å; S146-E149 WeakPolarHBondContact CA-O 3.39Å; S146-E149 WeakPolarHBondContact CB-O 3.32Å; S146-E149 PolarHBondContact N-O 2.86Å
150V85.1Confident80Confident0 Ų049.6 Ų49.60%026%0.261CS..EExtended strand (participates in β ladder)trans-119.7124.2167.4-174.50000108.5V49 L50 W72 A76 P143 V145 F152V49-V150 WeakPolarHBondContact CA-O 3.32Å; L50-V150 HydrophobicContact CB-CB 4.34Å; L50-V150 PolarHBondContact N-O 3.44Å; L50-V150 PolarHBondContact O-N 2.9Å; W72-V150 HydrophobicContact CH2-CG2 4.44Å; W72-V150 HydrophobicContact CZ2-CG2 3.72Å; A76-V150 HydrophobicContact CB-CG2 3.36Å; P143-V150 HydrophobicContact CB-CG1 3.87Å; V145-V150 HydrophobicContact CG2-CG1 4.37Å; V150-F152 HydrophobicContact CB-CE2 4.26Å; V150-F152 HydrophobicContact CG1-CD2 4.2Å; V150-F152 HydrophobicContact CG1-CE2 3.51Å; V150-F152 HydrophobicContact CG1-CZ 3.7Å
151I86.3Confident81.3Confident1 Ų145.1 Ų45.11%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-112.5118.3-176.2-53.4173.8000108.6P26 Y29 L47 L48 V49 P143 I144 P153P26-I151 HydrophobicContact CB-CD1 4.12Å; Y29-I151 HydrophobicContact CD1-CD1 3.83Å; Y29-I151 HydrophobicContact CE1-CD1 3.69Å; Y29-I151 HydrophobicContact CE1-CG1 4.49Å; L47-I151 HydrophobicContact CB-CG2 4.06Å; L47-I151 HydrophobicContact CD1-CG2 4.17Å; L47-I151 HydrophobicContact CD2-CG2 4Å; L47-I151 HydrophobicContact CG-CG2 4.31Å; L48-I151 CarbonylContact O-C 3.53Å; L48-I151 WeakPolarHBondContact O-CA 3.31Å; V49-I151 HydrophobicContact CG1-CG1 4.35Å; V49-I151 HydrophobicContact CG2-CG1 4.27Å; V49-I151 HydrophobicContact CG2-CG2 4.4Å; P143-I151 WeakPolarHBondContact CA-O 3.46Å; I144-I151 HydrophobicContact CB-CB 4.28Å; I144-I151 PolarHBondContact N-O 3Å; I144-I151 PolarHBondContact O-N 2.88Å; I151-P153 WeakPolarHBondContact O-CD 3.39Å
152F86.6Confident82.1Confident5 Ų546 Ų462%0.02225%0.245CC..EExtended strand (participates in β ladder)trans-100.4109173-63.8-89.4000109.8L47 L48 L50 L79 A81 P143 V150 L154L47-F152 WeakPolarHBondContact CA-O 3.33Å; L48-F152 HydrophobicContact CB-CB 4.23Å; L48-F152 HydrophobicContact CD2-CD2 4.25Å; L48-F152 PolarHBondContact N-O 3.47Å; L48-F152 PolarHBondContact O-N 2.98Å; L50-F152 HydrophobicContact CD1-CD2 3.72Å; L50-F152 HydrophobicContact CD1-CE2 3.63Å; L50-F152 HydrophobicContact CD2-CE2 4.22Å; L79-F152 HydrophobicContact CB-CE1 4.39Å; L79-F152 HydrophobicContact CB-CZ 3.67Å; L79-F152 HydrophobicContact CD1-CZ 4.44Å; A81-F152 HydrophobicContact CB-CB 4.2Å; A81-F152 HydrophobicContact CB-CD1 3.61Å; A81-F152 HydrophobicContact CB-CD2 4.26Å; A81-F152 HydrophobicContact CB-CE1 4.01Å; A81-F152 HydrophobicContact CB-CG 3.76Å; P143-F152 HydrophobicContact CB-CD1 3.86Å; P143-F152 HydrophobicContact CB-CE1 3.59Å; P143-F152 HydrophobicContact CB-CZ 4.06Å; P143-F152 HydrophobicContact CG-CE1 3.99Å; V150-F152 HydrophobicContact CB-CE2 4.26Å; V150-F152 HydrophobicContact CG1-CD2 4.2Å; V150-F152 HydrophobicContact CG1-CE2 3.51Å; V150-F152 HydrophobicContact CG1-CZ 3.7Å; F152-L154 HydrophobicContact CB-CD1 4.32Å; F152-L154 HydrophobicContact CB-CD2 4.34Å; F152-L154 HydrophobicContact CB-CG 4.08Å; F152-L154 PolarHBondContact O-N 3.08Å
153P85.5Confident82.6Confident10 Ų1041.8 Ų41.87%0.06523%0.23CC..EExtended strand (participates in β ladder)trans-73.8112.7166.628.6-30.5000109.8L47 E141 I151L47-P153 HydrophobicContact CD2-CB 3.94Å; E141-P153 HydrophobicContact CB-CG 3.93Å; E141-P153 HydrophobicContact CG-CG 3.83Å; E141-P153 WeakPolarHBondContact OE2-CB 3.29Å; E141-P153 WeakPolarHBondContact OE2-CG 3.24Å; I151-P153 WeakPolarHBondContact O-CD 3.39Å
154L86.3Confident82.6Confident15 Ų1543.4 Ų43.48%0.07925%0.251CS..EExtended strand (participates in β ladder)trans-118.3151.1-175.9-63.1174.9000110.7R45 F46 L48 A81 A83 F152 V172R45-L154 CarbonylContact C-O 3.54Å; R45-L154 VanDerWaalsContact CA-O 3.31Å; R45-L154 WeakPolarHBondContact CA-O 3.42Å; R45-L154 WeakPolarHBondContact CG-O 3.18Å; F46-L154 HydrophobicContact CD1-CB 4.41Å; F46-L154 HydrophobicContact CE1-CB 3.96Å; F46-L154 HydrophobicContact CE2-CB 4.15Å; F46-L154 HydrophobicContact CE2-CD1 4.14Å; F46-L154 HydrophobicContact CZ-CB 3.83Å; F46-L154 HydrophobicContact CZ-CD1 4.15Å; F46-L154 PolarHBondContact N-O 3.1Å; F46-L154 PolarHBondContact O-N 3.28Å; F46-L154 VanDerWaalsContact O-O 3.14Å; L48-L154 HydrophobicContact CB-CD1 4.08Å; A81-L154 HydrophobicContact CB-CD1 4.23Å; A81-L154 HydrophobicContact CB-CD2 4.27Å; A83-L154 HydrophobicContact CB-CB 4.24Å; A83-L154 HydrophobicContact CB-CD1 4.32Å; F152-L154 HydrophobicContact CB-CD1 4.32Å; F152-L154 HydrophobicContact CB-CD2 4.34Å; F152-L154 HydrophobicContact CB-CG 4.08Å; F152-L154 PolarHBondContact O-N 3.08Å; L154-V172 HydrophobicContact CD1-CB 4.32Å; L154-V172 HydrophobicContact CD1-CG1 3.43Å; L154-V172 VanDerWaalsContact CD1-CG1 3.43Å; L154-V172 HydrophobicContact CD1-CG2 3.86Å
155T85.1Confident82.8Confident54 Ų5443.9 Ų43.933%0.33125%0.254SS..EExtended strand (participates in β ladder)trans-128.2135176.9-54.90000109.5T43 V44 L138T43-T155 HydrophobicContact CG2-CG2 3.3Å; V44-T155 CarbonylContact O-C 3.6Å; V44-T155 WeakPolarHBondContact O-CA 3.43Å; L138-T155 HydrophobicContact CD1-CG2 3.68Å
156V86.4Confident83.1Confident11 Ų1145.1 Ų45.17%0.06726%0.264CS..EExtended strand (participates in β ladder)trans-135.8137.2176.470.50000110.2V44 F46 A83 V85 I170V44-V156 HydrophobicContact CB-CG1 4.32Å; V44-V156 PolarHBondContact N-O 2.8Å; V44-V156 PolarHBondContact O-N 3.34Å; F46-V156 HydrophobicContact CD1-CG1 4.3Å; F46-V156 HydrophobicContact CE1-CB 4.21Å; F46-V156 HydrophobicContact CE1-CG1 3.8Å; A83-V156 HydrophobicContact CB-CB 4.22Å; V85-V156 HydrophobicContact CB-CG2 3.76Å; V85-V156 HydrophobicContact CG1-CG2 3.83Å; V156-I170 HydrophobicContact CG1-CD1 4.21Å
157S85.9Confident83.8Confident39 Ų3948.2 Ų48.227%0.27327%0.273SS..EExtended strand (participates in β ladder)trans-97135.8178-179.20000110.9V85 D159V85-S157 WeakPolarHBondContact CG1-O 3.45Å; S157-D159 VanDerWaalsContact CB-OD1 3.27Å; S157-D159 WeakPolarHBondContact CB-OD1 3.34Å; S157-D159 PolarHBondContact OG-OD1 2.7Å
158L86.6Confident84.6Confident0 Ų043.2 Ų43.20%024%0.242CC..  trans-99.212.3179.5-55.1-179.1000113.1L38 Y39 L40 G41 E42 V44 V85 R160 L161 A168 L219L38-L158 HydrophobicContact CB-CD1 3.93Å; L38-L158 HydrophobicContact CD1-CD1 4.11Å; Y39-L158 WeakPolarHBondContact O-CD1 3.32Å; L40-L158 WeakPolarHBondContact CD1-O 3.35Å; G41-L158 PolarHBondContact N-O 3.47Å; E42-L158 HydrophobicContact CB-CD1 4.46Å; E42-L158 WeakPolarHBondContact O-CB 3.4Å; E42-L158 WeakPolarHBondContact O-CG 3.37Å; E42-L158 PolarHBondContact O-N 2.96Å; V44-L158 HydrophobicContact CG2-CD1 3.84Å; V44-L158 HydrophobicContact CG2-CG 4.21Å; V85-L158 HydrophobicContact CB-CD2 4.36Å; V85-L158 HydrophobicContact CG1-CD2 4.36Å; V85-L158 HydrophobicContact CG2-CD2 3.72Å; L158-R160 VanDerWaalsContact C-N 3.34Å; L158-L161 HydrophobicContact CB-CD1 4.39Å; L158-L161 HydrophobicContact CD2-CD1 4.05Å; L158-A168 HydrophobicContact CD2-CB 4.46Å; L158-L219 HydrophobicContact CD1-CD2 3.91Å
159D81.6Confident85.2Confident53 Ų5343.4 Ų43.428%0.28324%0.239SC..THydrogen-bonded Turntrans-66.9-29.1178.964-33.9000114H125 S157 L161H125-D159 HydrophobicContact CB-CB 4.01Å; S157-D159 VanDerWaalsContact CB-OD1 3.27Å; S157-D159 WeakPolarHBondContact CB-OD1 3.34Å; S157-D159 PolarHBondContact OG-OD1 2.7Å; D159-L161 VanDerWaalsContact C-N 3.34Å
160R78.4Confident85.5Confident220 Ų22042.9 Ų42.983%0.8324%0.236SC*.THydrogen-bonded Turntrans-85.7-2.7-177.1-61.2-173.8-174.7-150.20.4114.5L158L158-R160 VanDerWaalsContact C-N 3.34Å
161L83.7Confident85.6Confident13 Ų1343.8 Ų43.87%0.06824%0.242CC..SBendtrans-80.9139.9-179.9-67.8178.6000110.5L40 V85 A87 L158 D159 A168 L219L40-L161 HydrophobicContact CD1-CB 3.55Å; L40-L161 HydrophobicContact CD1-CD1 4.44Å; V85-L161 HydrophobicContact CG2-CD1 3.98Å; V85-L161 HydrophobicContact CG2-CD2 4.3Å; V85-L161 HydrophobicContact CG2-CG 4.44Å; A87-L161 HydrophobicContact CB-CD2 4.45Å; L158-L161 HydrophobicContact CB-CD1 4.39Å; L158-L161 HydrophobicContact CD2-CD1 4.05Å; D159-L161 VanDerWaalsContact C-N 3.34Å; L161-A168 HydrophobicContact CD1-CB 3.88Å; L161-L219 HydrophobicContact CD1-CD1 3.81Å
162P83.6Confident85.7Confident79 Ų7943.8 Ų43.851%0.51324%0.242SC..PPolyproline II helixtrans-57.2141.9176.4-25.334000112.2G164 T165P162-G164 PolarHBondContact O-N 2.68Å; P162-T165 WeakPolarHBondContact O-CB 3.44Å; P162-T165 PolarHBondContact O-N 3.44Å; P162-T165 PolarHBondContact O-OG1 2.75Å
163P81.5Confident85.6Confident48 Ų4844.9 Ų44.931%0.31225%0.249SC..THydrogen-bonded Turntrans-54.3137.2171-20.228.8000111.6P121 L122P121-P163 HydrophobicContact CB-CB 4.21Å; P121-P163 HydrophobicContact CG-CB 4.15Å; L122-P163 VanDerWaalsContact C-CG 3.47Å; L122-P163 WeakPolarHBondContact O-CG 3.46Å
164G79.8Confident85.5Confident62 Ų6244.4 Ų44.464%0.63925%0.246SC*.THydrogen-bonded Turntrans84.43.3-179.100000115P162 P166P162-G164 PolarHBondContact O-N 2.68Å; G164-P166 VanDerWaalsContact O-CD 3.26Å; G164-P166 WeakPolarHBondContact O-CD 3.34Å
165T85.6Confident85.2Confident18 Ų1847.6 Ų47.611%0.1126%0.257CS..  trans-60.8117.4170.9-60.20000109.7A87 P162 K167 L219A87-T165 HydrophobicContact CB-CG2 3.93Å; P162-T165 WeakPolarHBondContact O-CB 3.44Å; P162-T165 PolarHBondContact O-N 3.44Å; P162-T165 PolarHBondContact O-OG1 2.75Å; T165-K167 WeakPolarHBondContact CG2-O 3.11Å; T165-L219 HydrophobicContact CG2-CD1 4.07Å; T165-L219 WeakPolarHBondContact O-CB 3.17Å; T165-L219 WeakPolarHBondContact O-CD1 3.41Å
166P86.6Confident84.7Confident87 Ų8749.7 Ų49.757%0.56526%0.262SS*.  trans-83.4-22.1-17531.9-35000113.1G164 L219G164-P166 VanDerWaalsContact O-CD 3.26Å; G164-P166 WeakPolarHBondContact O-CD 3.34Å; P166-L219 PolarHBondContact O-N 3.23Å
167K90.5Very high83.8Confident100 Ų10058.2 Ų58.244%0.43529%0.293SS..EExtended strand (participates in β ladder)trans-140.3136.9-178.6-60.3-172.5-179.4179.90111.2G88 T165 L216 L217G88-K167 WeakPolarHBondContact CA-O 3.16Å; G88-K167 PolarHBondContact N-O 3.2Å; T165-K167 WeakPolarHBondContact CG2-O 3.11Å; K167-L216 HydrophobicContact CB-CD1 3.78Å; K167-L216 HydrophobicContact CB-CD2 4.49Å; K167-L216 HydrophobicContact CB-CG 4.07Å; K167-L216 HydrophobicContact CD-CD1 4.44Å; K167-L216 HydrophobicContact CD-CD2 3.62Å; K167-L216 HydrophobicContact CD-CG 3.98Å; K167-L217 CarbonylContact C-O 3.55Å; K167-L217 VanDerWaalsContact CA-O 3.24Å; K167-L217 WeakPolarHBondContact CA-O 3.46Å
168A90Very high82.8Confident0 Ų060.4 Ų60.40%030%0.299CS..EExtended strand (participates in β ladder)trans-105.5128.2173.400000110.2V85 L158 L161 L216 L217 L219V85-A168 HydrophobicContact CG2-CB 4.04Å; L158-A168 HydrophobicContact CD2-CB 4.46Å; L161-A168 HydrophobicContact CD1-CB 3.88Å; A168-L216 WeakPolarHBondContact O-CA 3.19Å; A168-L217 PolarHBondContact N-O 3.12Å; A168-L217 PolarHBondContact O-N 3.15Å; A168-L219 HydrophobicContact CB-CD1 4Å; A168-L219 HydrophobicContact CB-CD2 3.92Å; A168-L219 HydrophobicContact CB-CG 3.99Å
169K90.8Very high81.4Confident85 Ų8566.6 Ų66.637%0.3734%0.336SS..EExtended strand (participates in β ladder)trans-93.8110.1170.3-176-178.5-179.3-179.50108.6V85 S86 V171 S214 T215 L216V85-K169 WeakPolarHBondContact CA-O 3.29Å; S86-K169 PolarHBondContact N-O 2.59Å; S86-K169 PolarHBondContact O-N 3.25Å; S86-K169 PolarHBondContact OG-O 2.7Å; K169-V171 HydrophobicContact CD-CG2 4.28Å; K169-V171 HydrophobicContact CG-CG2 4.08Å; K169-S214 WeakPolarHBondContact CE-OG 3.32Å; K169-T215 CarbonylContact C-O 3.59Å; K169-T215 WeakPolarHBondContact CA-O 3.45Å; K169-L216 HydrophobicContact CB-CD1 4.06Å
170I89.1Confident80.3Confident0 Ų068.8 Ų68.80%035%0.345CS..EExtended strand (participates in β ladder)trans-92.9124.2174.2-59.9174.8000107.4F11 L38 F46 V85 V156 S214 T215 L217F11-I170 HydrophobicContact CE1-CD1 3.54Å; F11-I170 HydrophobicContact CZ-CD1 3.88Å; L38-I170 HydrophobicContact CD1-CD1 4.32Å; F46-I170 HydrophobicContact CE1-CG2 4.09Å; F46-I170 HydrophobicContact CE2-CG2 4.35Å; F46-I170 HydrophobicContact CZ-CG2 3.7Å; V85-I170 HydrophobicContact CG2-CG1 4.27Å; V156-I170 HydrophobicContact CG1-CD1 4.21Å; I170-S214 CarbonylContact O-C 3.55Å; I170-S214 WeakPolarHBondContact O-CA 3.5Å; I170-T215 HydrophobicContact CB-CG2 4.12Å; I170-T215 PolarHBondContact N-O 2.65Å; I170-T215 PolarHBondContact O-N 3.11Å; I170-L217 HydrophobicContact CD1-CD1 3.88Å
171V87.9Confident79.5Confident20 Ų2060.8 Ų60.812%0.12133%0.325CS..EExtended strand (participates in β ladder)trans-117127.7178.5-1750000107.9A83 S84 K169 V213A83-V171 CarbonylContact C-O 3.54Å; A83-V171 WeakPolarHBondContact CA-O 3.43Å; S84-V171 PolarHBondContact N-O 3.04Å; S84-V171 PolarHBondContact O-N 3.32Å; K169-V171 HydrophobicContact CD-CG2 4.28Å; K169-V171 HydrophobicContact CG-CG2 4.08Å; V171-V213 CarbonylContact C-O 3.56Å; V171-V213 WeakPolarHBondContact CA-O 3.47Å
172V87.4Confident78.4Confident0 Ų063.7 Ų63.70%035%0.345CS..EExtended strand (participates in β ladder)trans-110.2122.6171.1-173.30000108.5M9 F46 L48 A81 L82 A83 L154 V174 Q212 V213M9-V172 HydrophobicContact SD-CG2 3.86Å; F46-V172 HydrophobicContact CE2-CG2 3.64Å; F46-V172 HydrophobicContact CZ-CG2 3.69Å; L48-V172 HydrophobicContact CD2-CB 4.13Å; L48-V172 HydrophobicContact CD2-CG1 3.49Å; L48-V172 VanDerWaalsContact CD2-CG1 3.49Å; A81-V172 HydrophobicContact CB-CG1 4.05Å; L82-V172 WeakPolarHBondContact O-CA 3.48Å; A83-V172 HydrophobicContact CB-CG2 4.31Å; L154-V172 HydrophobicContact CD1-CB 4.32Å; L154-V172 HydrophobicContact CD1-CG1 3.43Å; L154-V172 VanDerWaalsContact CD1-CG1 3.43Å; L154-V172 HydrophobicContact CD1-CG2 3.86Å; V172-V174 HydrophobicContact CG1-CG2 4.31Å; V172-Q212 WeakPolarHBondContact O-CA 3.28Å; V172-V213 PolarHBondContact N-O 2.86Å; V172-V213 PolarHBondContact O-N 2.81Å
173T85.2Confident77.5Confident29 Ų2964.4 Ų64.418%0.17834%0.342CS..EExtended strand (participates in β ladder)trans-97124.4170.3-54.10000107.8A81 L82 W175 A211 Q212A81-T173 VanDerWaalsContact CA-O 3.32Å; A81-T173 WeakPolarHBondContact CA-O 3.25Å; L82-T173 PolarHBondContact N-O 2.77Å; L82-T173 PolarHBondContact O-N 3.01Å; T173-W175 HydrophobicContact CG2-CE3 4.13Å; T173-W175 VanDerWaalsContact O-CE3 3.29Å; T173-W175 WeakPolarHBondContact O-CZ3 3.35Å; T173-A211 CarbonylContact C-O 3.52Å; T173-A211 WeakPolarHBondContact CA-O 3.4Å; T173-Q212 HydrophobicContact CG2-CG 4.07Å; T173-Q212 PolarHBondContact OG1-NE2 2.88Å
174V83.9Confident76.8Confident0 Ų062.8 Ų62.80%033%0.331CS..EExtended strand (participates in β ladder)trans-108.7131.2174.8-174.40000107.9L48 L50 L79 A80 A81 V172 K210 A211L48-V174 HydrophobicContact CD2-CG2 3.37Å; L50-V174 HydrophobicContact CD2-CG1 4.21Å; L79-V174 HydrophobicContact CD1-CG1 4.4Å; L79-V174 HydrophobicContact CD2-CG1 4.15Å; A80-V174 CarbonylContact O-C 3.51Å; A80-V174 WeakPolarHBondContact O-CA 3.47Å; A81-V174 HydrophobicContact CB-CG2 4.14Å; V172-V174 HydrophobicContact CG1-CG2 4.31Å; V174-K210 CarbonylContact O-C 3.6Å; V174-K210 WeakPolarHBondContact O-CA 3.43Å; V174-A211 PolarHBondContact N-O 3.33Å; V174-A211 PolarHBondContact O-N 3.36Å
175W79.1Confident76.1Confident82 Ų8267 Ų6731%0.31133%0.327SS..EExtended strand (participates in β ladder)trans-138.6160.4176.465.899000112.3L79 A80 L82 T173 R177 F209 K210L79-W175 WeakPolarHBondContact CA-O 3.5Å; A80-W175 HydrophobicContact CB-CD2 4.27Å; A80-W175 HydrophobicContact CB-CZ2 3.96Å; A80-W175 PolarHBondContact N-O 3.26Å; A80-W175 PolarHBondContact O-N 3.09Å; L82-W175 HydrophobicContact CB-CH2 3.5Å; L82-W175 VanDerWaalsContact CB-CH2 3.5Å; L82-W175 HydrophobicContact CB-CZ3 3.53Å; T173-W175 HydrophobicContact CG2-CE3 4.13Å; T173-W175 VanDerWaalsContact O-CE3 3.29Å; T173-W175 WeakPolarHBondContact O-CZ3 3.35Å; W175-R177 PolarHBondContact O-N 2.94Å; W175-F209 WeakPolarHBondContact CA-O 3.46Å; W175-F209 WeakPolarHBondContact CB-O 3.33Å; W175-K210 HydrophobicContact CB-CG 3.97Å
176K75.9Confident75.3Confident97 Ų9772.3 Ų72.342%0.42236%0.355SS..EExtended strand (participates in β ladder)trans-76.8122.9169-170178.2-179.1-1780108.1A78 E178 F209A78-K176 HydrophobicContact CB-CG 4.13Å; A78-K176 CarbonylContact O-C 3.59Å; A78-K176 WeakPolarHBondContact O-CA 3.28Å; K176-E178 VanDerWaalsContact C-N 3.31Å; K176-E178 PolarHBondContact O-N 2.83Å; K176-F209 HydrophobicContact CB-CB 3.86Å; K176-F209 PolarHBondContact N-O 2.95Å
177R67.4Low74.6Confident191 Ų19172.3 Ų72.372%0.72135%0.348SS*.  trans-63.294170.2-167.2177.6-170.2174.82.7107.6A78 A80 W175A78-R177 WeakPolarHBondContact O-CA 2.98Å; A78-R177 VanDerWaalsContact O-CB 3.27Å; A78-R177 WeakPolarHBondContact O-CB 3.25Å; A78-R177 PolarHBondContact O-N 2.71Å; A80-R177 HydrophobicContact CB-CB 4.44Å; W175-R177 PolarHBondContact O-N 2.94Å
178E63.9Low73.7Confident85 Ų8569 Ų6940%0.39734%0.342SS..PPolyproline II helixtrans-70.3148.7170.1-65.7-173.4167.100109K176 E180 A208K176-E178 VanDerWaalsContact C-N 3.31Å; K176-E178 PolarHBondContact O-N 2.83Å; E178-E180 PolarHBondContact O-N 2.9Å; E178-A208 HydrophobicContact CG-CB 4.42Å; E178-A208 WeakPolarHBondContact OE1-CA 3.4Å; E178-A208 WeakPolarHBondContact OE1-CB 3.24Å
179V57.3Low72.8Confident129 Ų12973 Ų7378%0.78236%0.357SS*.PPolyproline II helixtrans-65.6116.6169.8178.30000106A181V179-A181 PolarHBondContact O-N 2.83Å
180E58Low72Confident100 Ų10075.2 Ų75.247%0.46737%0.373SS..PPolyproline II helixtrans-48.8131176.2-75.4-174.9152.900109.4E178E178-E180 PolarHBondContact O-N 2.9Å
181A62.2Low71.3Confident51 Ų5182 Ų8242%0.42140%0.398SS..PPolyproline II helixtrans-53136.7175.500000108.5V179 E183 V184 R185V179-A181 PolarHBondContact O-N 2.83Å; A181-E183 PolarHBondContact O-N 2.89Å; A181-V184 HydrophobicContact CB-CG2 4.32Å; A181-V184 WeakPolarHBondContact O-CB 3.38Å; A181-V184 PolarHBondContact O-N 3.23Å; A181-R185 PolarHBondContact O-N 3.11Å
182P61.1Low70.7Confident75 Ų7581.3 Ų81.349%0.48739%0.394SS..Hα-helixtrans-54.5-31.9-175.621.2-32.4000112.1V184 R185 D186P182-V184 PolarHBondContact O-N 2.82Å; P182-R185 PolarHBondContact O-N 2.98Å; P182-D186 WeakPolarHBondContact O-CB 3.39Å; P182-D186 PolarHBondContact O-N 2.85Å
183E64.6Low70.2Confident93 Ų9384.6 Ų84.644%0.43541%0.411SS..Hα-helixtrans-59.5-40175-57.9179.9-174.100113.4A181 Q187 R196A181-E183 PolarHBondContact O-N 2.89Å; E183-Q187 VanDerWaalsContact O-CB 3.29Å; E183-Q187 WeakPolarHBondContact O-CB 3.49Å; E183-Q187 PolarHBondContact O-N 2.87Å; E183-R196 IonicContact OE2-CZ 3.57Å; E183-R196 IonicContact OE2-NH1 3.78Å; E183-R196 PolarHBondContact OE2-NH1 2.88Å; E183-R196 IonicContact OE2-NH2 2.73Å
184V66.4Low70Confident14 Ų1489.9 Ų89.99%0.08543%0.434CS..Hα-helixtrans-72.6-40.4178.8175.50000110.8A181 P182 G188 Y189 L192A181-V184 HydrophobicContact CB-CG2 4.32Å; A181-V184 WeakPolarHBondContact O-CB 3.38Å; A181-V184 PolarHBondContact O-N 3.23Å; P182-V184 PolarHBondContact O-N 2.82Å; V184-G188 WeakPolarHBondContact O-CA 3.47Å; V184-G188 PolarHBondContact O-N 2.88Å; V184-Y189 HydrophobicContact CG1-CD1 4.11Å; V184-Y189 HydrophobicContact CG1-CD2 3.65Å; V184-Y189 HydrophobicContact CG1-CE1 3.77Å; V184-Y189 HydrophobicContact CG1-CE2 3.26Å; V184-Y189 HydrophobicContact CG1-CG 4.05Å; V184-Y189 HydrophobicContact CG2-CE1 4.25Å; V184-L192 HydrophobicContact CB-CD1 4.16Å; V184-L192 HydrophobicContact CG2-CD1 3.62Å
185R65.3Low69.7Low150 Ų15094.5 Ų94.557%0.56646%0.462SS*.Hα-helixtrans-65.7-38.6177.3177.7171.450-148.2-13.9112.3A181 P182A181-R185 PolarHBondContact O-N 3.11Å; P182-R185 PolarHBondContact O-N 2.98Å
186D69.1Low69.6Low130 Ų13096.4 Ų96.470%0.69547%0.469SS*.Hα-helixtrans-85.8-31-175.5-65.6-14.5000113.1P182P182-D186 WeakPolarHBondContact O-CB 3.39Å; P182-D186 PolarHBondContact O-N 2.85Å
187Q70.6Confident69.4Low88 Ų8894.3 Ų94.341%0.41147%0.467SS..Hα-helixtrans-112.8-18.6-174.1-55.8-172.913.400114.3E183 R191 L192E183-Q187 VanDerWaalsContact O-CB 3.29Å; E183-Q187 WeakPolarHBondContact O-CB 3.49Å; E183-Q187 PolarHBondContact O-N 2.87Å; Q187-R191 WeakPolarHBondContact O-CB 3.48Å; Q187-L192 HydrophobicContact CB-CG 4.38Å
188G72.4Confident69.5Low30 Ų3089 Ų8931%0.30946%0.457SS..Hα-helixtrans73.9147.8-176.200000113.9V184 L190 R191 L192V184-G188 WeakPolarHBondContact O-CA 3.47Å; V184-G188 PolarHBondContact O-N 2.88Å; G188-L190 PolarHBondContact O-N 2.78Å; G188-R191 PolarHBondContact O-N 3.42Å; G188-L192 PolarHBondContact O-N 2.84Å
189Y71.1Confident69.5Low84 Ų8487 Ų8733%0.32946%0.46SS..Hα-helixtrans-55.5-36.2179.8-75-79.3000113.5V184 L192 L193 F202V184-Y189 HydrophobicContact CG1-CD1 4.11Å; V184-Y189 HydrophobicContact CG1-CD2 3.65Å; V184-Y189 HydrophobicContact CG1-CE1 3.77Å; V184-Y189 HydrophobicContact CG1-CE2 3.26Å; V184-Y189 HydrophobicContact CG1-CG 4.05Å; V184-Y189 HydrophobicContact CG2-CE1 4.25Å; Y189-L192 PolarHBondContact O-N 2.76Å; Y189-L193 WeakPolarHBondContact O-CB 3.47Å; Y189-L193 VanDerWaalsContact O-CG 3.23Å; Y189-L193 WeakPolarHBondContact O-CG 3.31Å; Y189-L193 PolarHBondContact O-N 2.81Å; Y189-F202 HydrophobicContact CD1-CE1 4.19Å; Y189-F202 HydrophobicContact CD1-CZ 4.47Å; Y189-F202 HydrophobicContact CE1-CE1 4.09Å
190L74.8Confident69.9Low132 Ų13286.7 Ų86.769%0.69145%0.449SS*.Hα-helixtrans-63.9-44-177.8-171.4122.3000112.1G188 L193 Q194G188-L190 PolarHBondContact O-N 2.78Å; L190-L193 PolarHBondContact O-N 2.81Å; L190-Q194 VanDerWaalsContact O-CG 3.23Å; L190-Q194 WeakPolarHBondContact O-CG 3.36Å; L190-Q194 PolarHBondContact O-N 3.39Å
191R73.1Confident70.2Confident143 Ų14383 Ų8354%0.5443%0.434SS..Hα-helixtrans-71.7-35.1179.5-159.3-161.8-169.9-170.33.4111.8Q187 G188 Q194 T195Q187-R191 WeakPolarHBondContact O-CB 3.48Å; G188-R191 PolarHBondContact O-N 3.42Å; R191-Q194 PolarHBondContact O-N 2.9Å; R191-T195 WeakPolarHBondContact O-CG2 2.95Å; R191-T195 PolarHBondContact O-N 3.31Å; R191-T195 PolarHBondContact O-OG1 2.99Å
192L76.1Confident70.3Confident4 Ų484.2 Ų84.22%0.02143%0.43CS..Hα-helixtrans-66.9-40.2175.8-71.8170.5000111.9V184 Q187 G188 Y189 Q194 T195 R196 T201V184-L192 HydrophobicContact CB-CD1 4.16Å; V184-L192 HydrophobicContact CG2-CD1 3.62Å; Q187-L192 HydrophobicContact CB-CG 4.38Å; G188-L192 PolarHBondContact O-N 2.84Å; Y189-L192 PolarHBondContact O-N 2.76Å; L192-Q194 VanDerWaalsContact C-N 3.3Å; L192-Q194 PolarHBondContact O-N 2.99Å; L192-T195 PolarHBondContact O-N 3.26Å; L192-T195 PolarHBondContact O-OG1 3.33Å; L192-R196 WeakPolarHBondContact O-CB 3.41Å; L192-R196 PolarHBondContact O-N 2.84Å; L192-T201 HydrophobicContact CB-CG2 4.31Å
193L76.8Confident70.2Confident69 Ų6988.7 Ų88.736%0.36144%0.437SS..Hα-helixtrans-74.2-19.3177-68.2171.1000113.9Y189 L190 P198 T201 F202Y189-L193 WeakPolarHBondContact O-CB 3.47Å; Y189-L193 VanDerWaalsContact O-CG 3.23Å; Y189-L193 WeakPolarHBondContact O-CG 3.31Å; Y189-L193 PolarHBondContact O-N 2.81Å; L190-L193 PolarHBondContact O-N 2.81Å; L193-P198 HydrophobicContact CD2-CB 4.17Å; L193-P198 HydrophobicContact CD2-CG 4.3Å; L193-T201 HydrophobicContact CD2-CG2 4.39Å; L193-F202 HydrophobicContact CD1-CE2 4.43Å; L193-F202 HydrophobicContact CD1-CZ 4.24Å; L193-F202 HydrophobicContact CD2-CD2 4.47Å; L193-F202 HydrophobicContact CD2-CE2 3.55Å; L193-F202 HydrophobicContact CD2-CZ 3.99Å
194Q80.6Confident69.6Low141 Ų14187 Ų8766%0.65945%0.445SS*.Hα-helixtrans-79.6-22.2171.9-74.8171.2-12.600112.8L190 R191 L192L190-Q194 VanDerWaalsContact O-CG 3.23Å; L190-Q194 WeakPolarHBondContact O-CG 3.36Å; L190-Q194 PolarHBondContact O-N 3.39Å; R191-Q194 PolarHBondContact O-N 2.9Å; L192-Q194 VanDerWaalsContact C-N 3.3Å; L192-Q194 PolarHBondContact O-N 2.99Å
195T78.1Confident69Low97 Ų9789.3 Ų89.360%0.59546%0.455SS*.Hα-helixtrans-114.7-19-171.8530000113.9R191 L192R191-T195 WeakPolarHBondContact O-CG2 2.95Å; R191-T195 PolarHBondContact O-N 3.31Å; R191-T195 PolarHBondContact O-OG1 2.99Å; L192-T195 PolarHBondContact O-N 3.26Å; L192-T195 PolarHBondContact O-OG1 3.33Å
196R76.4Confident68.1Low122 Ų12289.6 Ų89.646%0.4646%0.462SS..SBendtrans-127.2156.5177.5-69.6-176.3175.6162.50.5111.3E183 L192E183-R196 IonicContact OE2-CZ 3.57Å; E183-R196 IonicContact OE2-NH1 3.78Å; E183-R196 PolarHBondContact OE2-NH1 2.88Å; E183-R196 IonicContact OE2-NH2 2.73Å; L192-R196 WeakPolarHBondContact O-CB 3.41Å; L192-R196 PolarHBondContact O-N 2.84Å
197S73.1Confident67.1Low52 Ų5288.1 Ų88.136%0.36446%0.462SS..  trans-68139.817474.10000110.4G199 E200 T201S197-G199 PolarHBondContact O-N 3.04Å; S197-G199 VanDerWaalsContact O-N 3.14Å; S197-E200 PolarHBondContact O-N 2.84Å; S197-E200 VanDerWaalsContact OG-CG 3.23Å; S197-E200 WeakPolarHBondContact OG-CG 3.33Å; S197-E200 PolarHBondContact OG-OE2 2.9Å; S197-T201 PolarHBondContact O-N 3.26Å; S197-T201 PolarHBondContact O-OG1 3.33Å
198P68.8Low66.3Low80 Ų8084.6 Ų84.652%0.51945%0.448SS..Hα-helixtrans-55.9-34.6179.8-25.833.2000112.7L193 E200 T201 F202L193-P198 HydrophobicContact CD2-CB 4.17Å; L193-P198 HydrophobicContact CD2-CG 4.3Å; P198-E200 PolarHBondContact O-N 3.05Å; P198-T201 PolarHBondContact O-N 3.42Å; P198-F202 HydrophobicContact CB-CD2 4.36Å; P198-F202 HydrophobicContact CB-CE2 4.45Å; P198-F202 WeakPolarHBondContact O-CD2 3.47Å; P198-F202 PolarHBondContact O-N 2.85Å; P198-F202 VanDerWaalsContact O-N 3.12Å
199G64.2Low65.6Low44 Ų4486.3 Ų86.345%0.45445%0.447SS..Hα-helixtrans-71.3-9.4179.300000115.3S197 R203S197-G199 PolarHBondContact O-N 3.04Å; S197-G199 VanDerWaalsContact O-N 3.14Å; G199-R203 WeakPolarHBondContact O-CB 3.39Å; G199-R203 PolarHBondContact O-NE 2.94Å
200E65.4Low65.5Low121 Ų12188.7 Ų88.757%0.56546%0.459SS*.Hα-helixtrans-102.2-40.5173.5-71.4165.8155.600110.9S197 P198 F202 R203S197-E200 PolarHBondContact O-N 2.84Å; S197-E200 VanDerWaalsContact OG-CG 3.23Å; S197-E200 WeakPolarHBondContact OG-CG 3.33Å; S197-E200 PolarHBondContact OG-OE2 2.9Å; P198-E200 PolarHBondContact O-N 3.05Å; E200-F202 VanDerWaalsContact C-N 3.29Å; E200-F202 PolarHBondContact O-N 3.46Å; E200-R203 PolarHBondContact O-N 3.15Å
201T65.3Low65.7Low23 Ų2382.6 Ų82.614%0.14143%0.428CS..Hα-helixtrans-59.9-38.5175.4-51.90000112L192 L193 S197 P198L192-T201 HydrophobicContact CB-CG2 4.31Å; L193-T201 HydrophobicContact CD2-CG2 4.39Å; S197-T201 PolarHBondContact O-N 3.26Å; S197-T201 PolarHBondContact O-OG1 3.33Å; P198-T201 PolarHBondContact O-N 3.42Å
202F62.2Low66.2Low77 Ų7782.2 Ų82.234%0.33843%0.432SS..THydrogen-bonded Turntrans-101.13.1-177.9-59.3-64.3000114.3Y189 L193 P198 E200 E205Y189-F202 HydrophobicContact CD1-CE1 4.19Å; Y189-F202 HydrophobicContact CD1-CZ 4.47Å; Y189-F202 HydrophobicContact CE1-CE1 4.09Å; L193-F202 HydrophobicContact CD1-CE2 4.43Å; L193-F202 HydrophobicContact CD1-CZ 4.24Å; L193-F202 HydrophobicContact CD2-CD2 4.47Å; L193-F202 HydrophobicContact CD2-CE2 3.55Å; L193-F202 HydrophobicContact CD2-CZ 3.99Å; P198-F202 HydrophobicContact CB-CD2 4.36Å; P198-F202 HydrophobicContact CB-CE2 4.45Å; P198-F202 WeakPolarHBondContact O-CD2 3.47Å; P198-F202 PolarHBondContact O-N 2.85Å; P198-F202 VanDerWaalsContact O-N 3.12Å; E200-F202 VanDerWaalsContact C-N 3.29Å; E200-F202 PolarHBondContact O-N 3.46Å; F202-E205 WeakPolarHBondContact CD1-OE2 3.45Å; F202-E205 PolarHBondContact O-N 3.29Å
203R59.2Low66.7Low169 Ų16983.1 Ų83.164%0.63844%0.438SS*.THydrogen-bonded Turntrans-71-34.3-179.2-150.8-178.9-79.7-146.91.6112.4G199 E200 E205G199-R203 WeakPolarHBondContact O-CB 3.39Å; G199-R203 PolarHBondContact O-NE 2.94Å; E200-R203 PolarHBondContact O-N 3.15Å; R203-E205 VanDerWaalsContact C-N 3.33Å
204G53.1Low67.2Low58 Ų5883.1 Ų83.160%0.59844%0.443SS*.G310 helixtrans-73-2217700000114.1Q206 S207G204-Q206 VanDerWaalsContact C-N 3.34Å; G204-S207 PolarHBondContact O-OG 3.03Å
205E52.7Low67.6Low62 Ų6278.4 Ų78.429%0.2942%0.424SS..G310 helixtrans-87.91.1-179.9-66.9-177.517500113.4F202 R203 S207 A208F202-E205 WeakPolarHBondContact CD1-OE2 3.45Å; F202-E205 PolarHBondContact O-N 3.29Å; R203-E205 VanDerWaalsContact C-N 3.33Å; E205-S207 PolarHBondContact O-N 3.2Å; E205-A208 VanDerWaalsContact O-CB 3.28Å; E205-A208 WeakPolarHBondContact O-CB 3.29Å; E205-A208 PolarHBondContact O-N 2.87Å; E205-A208 VanDerWaalsContact O-N 3.15Å
206Q48.2Very low68.2Low156 Ų15678 Ų7873%0.72942%0.418SS*.G310 helixtrans-70-18.3177.8-66.1-175.514.800112.8G204 A208G204-Q206 VanDerWaalsContact C-N 3.34Å; Q206-A208 VanDerWaalsContact C-N 3.29Å
207S46.2Very low68.8Low98 Ų9873 Ų7369%0.68540%0.401SS*.G310 helixtrans-81.7-4.6172.354.90000113.9G204 E205 F209G204-S207 PolarHBondContact O-OG 3.03Å; E205-S207 PolarHBondContact O-N 3.2Å; S207-F209 PolarHBondContact O-N 2.84Å; S207-F209 VanDerWaalsContact O-N 3.09Å
208A55.5Low69.6Low15 Ų1573.9 Ų73.912%0.12440%0.404CS..SBendtrans-69111.2179.100000110.2E178 E205 Q206 K210E178-A208 HydrophobicContact CG-CB 4.42Å; E178-A208 WeakPolarHBondContact OE1-CA 3.4Å; E178-A208 WeakPolarHBondContact OE1-CB 3.24Å; E205-A208 VanDerWaalsContact O-CB 3.28Å; E205-A208 WeakPolarHBondContact O-CB 3.29Å; E205-A208 PolarHBondContact O-N 2.87Å; E205-A208 VanDerWaalsContact O-N 3.15Å; Q206-A208 VanDerWaalsContact C-N 3.29Å; A208-K210 WeakPolarHBondContact O-CG 3.17Å; A208-K210 PolarHBondContact O-N 2.88Å
209F56Low70.6Confident65 Ų6570.5 Ų70.529%0.28538%0.381SS..  trans-40.1116.4173.6-175.9-87.8000111.6M1 L79 W175 K176 S207 A211M1-F209 HydrophobicContact CB-CE1 3.95Å; M1-F209 HydrophobicContact CB-CE2 3.96Å; M1-F209 HydrophobicContact CB-CZ 3.24Å; M1-F209 HydrophobicContact CG-CD1 4.39Å; M1-F209 HydrophobicContact CG-CD2 4.46Å; M1-F209 HydrophobicContact CG-CE1 3.39Å; M1-F209 HydrophobicContact CG-CE2 3.49Å; M1-F209 VanDerWaalsContact CG-CE2 3.49Å; M1-F209 HydrophobicContact CG-CZ 2.93Å; M1-F209 VanDerWaalsContact N-CE2 3.25Å; M1-F209 VanDerWaalsContact N-CZ 3.34Å; L79-F209 HydrophobicContact CD2-CD1 4.36Å; W175-F209 WeakPolarHBondContact CA-O 3.46Å; W175-F209 WeakPolarHBondContact CB-O 3.33Å; K176-F209 HydrophobicContact CB-CB 3.86Å; K176-F209 PolarHBondContact N-O 2.95Å; S207-F209 PolarHBondContact O-N 2.84Å; S207-F209 VanDerWaalsContact O-N 3.09Å; F209-A211 HydrophobicContact CE1-CB 4.45Å; F209-A211 HydrophobicContact CZ-CB 4.5Å
210K69.6Low71.7Confident134 Ų13469.6 Ų69.658%0.58337%0.366SS*.EExtended strand (participates in β ladder)trans-135127.3-179.8-75.5165.6-169.2173.50111.2V174 W175 A208V174-K210 CarbonylContact O-C 3.6Å; V174-K210 WeakPolarHBondContact O-CA 3.43Å; W175-K210 HydrophobicContact CB-CG 3.97Å; A208-K210 WeakPolarHBondContact O-CG 3.17Å; A208-K210 PolarHBondContact O-N 2.88Å
211A79.1Confident72.7Confident4 Ų466.7 Ų66.73%0.03336%0.357CS..EExtended strand (participates in β ladder)trans-124.3142.117100000109.4Y7 T173 V174 F209Y7-A211 HydrophobicContact CE1-CB 4.36Å; Y7-A211 WeakPolarHBondContact OH-CB 3.3Å; T173-A211 CarbonylContact C-O 3.52Å; T173-A211 WeakPolarHBondContact CA-O 3.4Å; V174-A211 PolarHBondContact N-O 3.33Å; V174-A211 PolarHBondContact O-N 3.36Å; F209-A211 HydrophobicContact CE1-CB 4.45Å; F209-A211 HydrophobicContact CZ-CB 4.5Å
212Q83.3Confident73.9Confident135 Ų13566.1 Ų66.163%0.63135%0.354SS*.EExtended strand (participates in β ladder)trans-121.3127.8178.7-71.2-172.7-21.600110.7V172 T173V172-Q212 WeakPolarHBondContact O-CA 3.28Å; T173-Q212 HydrophobicContact CG2-CG 4.07Å; T173-Q212 PolarHBondContact OG1-NE2 2.88Å
213V86.8Confident75.3Confident24 Ų2462.8 Ų62.815%0.14534%0.34CS..EExtended strand (participates in β ladder)trans-117.8131.6176.7-163.40000107.2Y7 M9 L48 V171 V172Y7-V213 HydrophobicContact CD1-CG2 3.47Å; Y7-V213 VanDerWaalsContact CD1-CG2 3.47Å; Y7-V213 HydrophobicContact CD2-CG2 4.32Å; Y7-V213 HydrophobicContact CE1-CG2 4.18Å; Y7-V213 HydrophobicContact CG-CG2 3.54Å; M9-V213 HydrophobicContact CE-CB 4.2Å; M9-V213 HydrophobicContact CE-CG1 3.73Å; L48-V213 HydrophobicContact CD1-CB 4.48Å; L48-V213 HydrophobicContact CD1-CG2 4.33Å; V171-V213 CarbonylContact C-O 3.56Å; V171-V213 WeakPolarHBondContact CA-O 3.47Å; V172-V213 PolarHBondContact N-O 2.86Å; V172-V213 PolarHBondContact O-N 2.81Å
214S88.4Confident76.9Confident68 Ų6857.1 Ų57.148%0.47632%0.324SS..EExtended strand (participates in β ladder)trans-132.1148.9178.873.90000112.8K169 I170K169-S214 WeakPolarHBondContact CE-OG 3.32Å; I170-S214 CarbonylContact O-C 3.55Å; I170-S214 WeakPolarHBondContact O-CA 3.5Å
215T88.9Confident78.8Confident42 Ų4254.4 Ų54.426%0.25830%0.296SS..EExtended strand (participates in β ladder)trans-140.9153.2178.3-171.90000109.4M9 F11 K169 I170M9-T215 VanDerWaalsContact CE-CB 3.47Å; M9-T215 HydrophobicContact CE-CG2 3.45Å; M9-T215 VanDerWaalsContact CE-CG2 3.45Å; M9-T215 HydrophobicContact SD-CG2 3.75Å; F11-T215 HydrophobicContact CE2-CG2 3.68Å; F11-T215 HydrophobicContact CZ-CG2 3.6Å; K169-T215 CarbonylContact C-O 3.59Å; K169-T215 WeakPolarHBondContact CA-O 3.45Å; I170-T215 HydrophobicContact CB-CG2 4.12Å; I170-T215 PolarHBondContact N-O 2.65Å; I170-T215 PolarHBondContact O-N 3.11Å
216L90.6Very high80.7Confident88 Ų8856.4 Ų56.446%0.46130%0.301SS..EExtended strand (participates in β ladder)trans-117.8121.1-177.5-170.269.4000108.8K167 A168 K169K167-L216 HydrophobicContact CB-CD1 3.78Å; K167-L216 HydrophobicContact CB-CD2 4.49Å; K167-L216 HydrophobicContact CB-CG 4.07Å; K167-L216 HydrophobicContact CD-CD1 4.44Å; K167-L216 HydrophobicContact CD-CD2 3.62Å; K167-L216 HydrophobicContact CD-CG 3.98Å; A168-L216 WeakPolarHBondContact O-CA 3.19Å; K169-L216 HydrophobicContact CB-CD1 4.06Å
217L88.8Confident82.9Confident19 Ų1949.1 Ų49.110%0.09927%0.267CS..EExtended strand (participates in β ladder)trans-118.4145.2-179.6-65.2176.1000110.9F11 L38 K167 A168 I170F11-L217 HydrophobicContact CD1-CD1 3.73Å; F11-L217 HydrophobicContact CD2-CD1 3.94Å; F11-L217 HydrophobicContact CD2-CD2 4.45Å; F11-L217 HydrophobicContact CE1-CD1 3.63Å; F11-L217 HydrophobicContact CE2-CD1 3.86Å; F11-L217 HydrophobicContact CG-CD1 3.9Å; F11-L217 HydrophobicContact CZ-CD1 3.71Å; L38-L217 HydrophobicContact CD1-CB 4.06Å; L38-L217 HydrophobicContact CD1-CD1 3.38Å; L38-L217 HydrophobicContact CD1-CG 4.38Å; L38-L217 HydrophobicContact CG-CD1 4.15Å; K167-L217 CarbonylContact C-O 3.55Å; K167-L217 VanDerWaalsContact CA-O 3.24Å; K167-L217 WeakPolarHBondContact CA-O 3.46Å; A168-L217 PolarHBondContact N-O 3.12Å; A168-L217 PolarHBondContact O-N 3.15Å; I170-L217 HydrophobicContact CD1-CD1 3.88Å
218T90.3Very high85Confident70 Ų7048.9 Ų48.943%0.42925%0.251SS..EExtended strand (participates in β ladder)trans-76.8132.8177.5-55.40000110.2H37 L38H37-T218 VanDerWaalsContact CA-O 3.28Å; H37-T218 WeakPolarHBondContact CA-O 3.35Å; L38-T218 PolarHBondContact N-O 3.12Å
219L89Confident86.5Confident9 Ų950.9 Ų50.95%0.04726%0.258CS..EExtended strand (participates in β ladder)trans-99.2128.1173.3-63.3-175000110L38 L40 L158 L161 T165 P166 A168L38-L219 HydrophobicContact CB-CD2 3.83Å; L38-L219 CarbonylContact O-C 3.59Å; L38-L219 WeakPolarHBondContact O-CA 3.44Å; L40-L219 HydrophobicContact CD1-CD1 4.22Å; L158-L219 HydrophobicContact CD1-CD2 3.91Å; L161-L219 HydrophobicContact CD1-CD1 3.81Å; T165-L219 HydrophobicContact CG2-CD1 4.07Å; T165-L219 WeakPolarHBondContact O-CB 3.17Å; T165-L219 WeakPolarHBondContact O-CD1 3.41Å; P166-L219 PolarHBondContact O-N 3.23Å; A168-L219 HydrophobicContact CB-CD1 4Å; A168-L219 HydrophobicContact CB-CD2 3.92Å; A168-L219 HydrophobicContact CB-CG 3.99Å
220L87.6Confident87.8Confident25 Ų2551 Ų5113%0.13126%0.258CS..EExtended strand (participates in β ladder)trans-82.8137.3169.7-64.1-177000109.8H37 L38 Y39H37-L220 HydrophobicContact CB-CD1 4.38Å; H37-L220 HydrophobicContact CB-CG 4.12Å; H37-L220 WeakPolarHBondContact CD2-CD1 3.49Å; L38-L220 PolarHBondContact O-N 3.37Å; Y39-L220 HydrophobicContact CD1-CB 3.86Å; Y39-L220 HydrophobicContact CE1-CB 3.73Å; Y39-L220 HydrophobicContact CE1-CD1 3.84Å; Y39-L220 HydrophobicContact CE1-CG 4.4Å
221P86.3Confident88.1Confident59 Ų5948.5 Ų48.538%0.38325%0.254SS..PPolyproline II helixtrans-72.3157.8179.132.8-36000110.8S246P221-S246 VanDerWaalsContact CG-OG 3.28Å; P221-S246 WeakPolarHBondContact CG-OG 3.49Å
222P89.5Confident87.8Confident12 Ų1252 Ų528%0.07828%0.276CS..PPolyproline II helixtrans-68.6169.9175.232.7-37.5000111.5P121 V224 W343 T356P121-P222 HydrophobicContact CB-CG 4.45Å; P222-V224 PolarHBondContact O-N 2.71Å; P222-W343 HydrophobicContact CB-CZ2 3.85Å; P222-T356 HydrophobicContact CB-CG2 4.02Å; P222-T356 WeakPolarHBondContact CB-OG1 3.43Å; P222-T356 HydrophobicContact CG-CG2 3.95Å
223P91.8Very high87Confident7 Ų748.8 Ų48.85%0.04527%0.272CS..PPolyproline II helixtrans-57136.8180-24.235.2000112.1L225 V242 L243 I251 W343 Y358P223-L225 PolarHBondContact O-N 3.43Å; P223-V242 HydrophobicContact CB-CG1 3.98Å; P223-L243 CarbonylContact C-O 3.6Å; P223-I251 HydrophobicContact CB-CD1 3.83Å; P223-I251 HydrophobicContact CG-CD1 3.3Å; P223-W343 VanDerWaalsContact CD-CE2 3.47Å; P223-W343 HydrophobicContact CG-CD2 3.89Å; P223-W343 HydrophobicContact CG-CE3 4.23Å; P223-W343 HydrophobicContact CG-CG 4.03Å; P223-Y358 PolarHBondContact O-OH 2.82Å
224V92.2Very high86Confident49 Ų4948.8 Ų48.830%0.29728%0.277SS..EExtended strand (participates in β ladder)trans-74.8127.8-179171.20000109.9P222 R226 L243 S245P222-V224 PolarHBondContact O-N 2.71Å; V224-R226 HydrophobicContact CG1-CG 4.37Å; V224-L243 HydrophobicContact CB-CB 4.3Å; V224-L243 PolarHBondContact N-O 3.02Å; V224-L243 PolarHBondContact O-N 3.49Å; V224-S245 WeakPolarHBondContact CG2-OG 3.31Å
225L93.8Very high85.5Confident1 Ų151.2 Ų51.21%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-104.1132.7175.4-168.372.4000110.8C119 P223 L240 K241 V242 A339 V341 Y358 L360C119-L225 HydrophobicContact CB-CB 4.13Å; C119-L225 HydrophobicContact CB-CD2 4.19Å; C119-L225 HydrophobicContact CB-CG 4.3Å; C119-L225 WeakPolarHBondContact CB-O 3.4Å; C119-L225 PolarHBondContact N-O 2.8Å; P223-L225 PolarHBondContact O-N 3.43Å; L225-L240 HydrophobicContact CD1-CB 4.18Å; L225-L240 HydrophobicContact CD1-CD1 4.49Å; L225-L240 HydrophobicContact CD2-CD2 4.42Å; L225-K241 WeakPolarHBondContact CA-O 3.28Å; L225-V242 HydrophobicContact CD1-CG2 3.65Å; L225-A339 HydrophobicContact CD2-CB 3.42Å; L225-A339 VanDerWaalsContact CD2-CB 3.42Å; L225-V341 HydrophobicContact CD1-CG2 4.38Å; L225-Y358 HydrophobicContact CB-CD1 3.79Å; L225-Y358 HydrophobicContact CB-CD2 4.2Å; L225-Y358 HydrophobicContact CB-CE1 3.98Å; L225-Y358 HydrophobicContact CB-CE2 4.36Å; L225-Y358 HydrophobicContact CB-CG 3.92Å; L225-Y358 HydrophobicContact CD2-CD1 4.33Å; L225-Y358 HydrophobicContact CD2-CD2 3.71Å; L225-Y358 HydrophobicContact CD2-CE2 4.49Å; L225-Y358 HydrophobicContact CD2-CG 3.62Å; L225-Y358 HydrophobicContact CG-CG 4.42Å; L225-L360 HydrophobicContact CD2-CD2 3.9Å
226R93.6Very high85.2Confident105 Ų10551.4 Ų51.440%0.39628%0.277SS..EExtended strand (participates in β ladder)trans-124.5144.4168.5-51.8-177.7173.5172.3-1.8110.7F116 R117 V224 L240 K241F116-R226 HydrophobicContact CB-CB 3.92Å; F116-R226 HydrophobicContact CD1-CB 4.18Å; F116-R226 HydrophobicContact CG-CB 4.48Å; R117-R226 CarbonylContact O-C 3.44Å; R117-R226 WeakPolarHBondContact O-CA 3.31Å; R117-R226 WeakPolarHBondContact O-CB 3.32Å; V224-R226 HydrophobicContact CG1-CG 4.37Å; R226-L240 CarbonylContact O-C 3.48Å; R226-L240 WeakPolarHBondContact O-CA 3.4Å; R226-K241 HydrophobicContact CB-CB 4.28Å; R226-K241 PolarHBondContact N-O 2.77Å; R226-K241 PolarHBondContact O-N 2.82Å
227C92.9Very high85.1Confident2 Ų248.3 Ų48.31%0.01426%0.261CS..EExtended strand (participates in β ladder)trans-124139.2-175.1-1790000111.4R117 C119 T238 A239 L240 L360 P361R117-C227 PolarHBondContact N-O 2.87Å; R117-C227 PolarHBondContact O-N 2.9Å; C119-C227 WeakPolarHBondContact SG-CB 3.5Å; C227-T238 VanDerWaalsContact SG-CG2 3.58Å; C227-A239 WeakPolarHBondContact CA-O 3.25Å; C227-L240 HydrophobicContact CB-CD2 3.81Å; C227-L360 HydrophobicContact CB-CD2 3.92Å; C227-P361 HydrophobicContact CB-CG 4.47Å
228R90.5Very high85.2Confident93 Ų9347.6 Ų47.635%0.35126%0.257SS..EExtended strand (participates in β ladder)trans-132.6121.5168.8-177.6-179.6173.2-178.2-1.1109.3G114 F116 F230 A239G114-R228 PolarHBondContact O-NH1 2.82Å; F116-R228 HydrophobicContact CD1-CB 3.81Å; F116-R228 HydrophobicContact CE1-CB 3.91Å; F116-R228 HydrophobicContact CG-CB 4.14Å; F116-R228 HydrophobicContact CZ-CB 4.32Å; R228-F230 HydrophobicContact CG-CD1 4.25Å; R228-A239 PolarHBondContact N-O 3.38Å; R228-A239 PolarHBondContact O-N 3.36Å
229Q88.1Confident85.3Confident57 Ų5744.9 Ų44.927%0.26624%0.241SC..EExtended strand (participates in β ladder)trans-103.3140.5174.6-68.9168.6-9.600109.6L237 T238 P361 S362Q229-L237 WeakPolarHBondContact CA-O 3.42Å; Q229-T238 HydrophobicContact CG-CG2 3.97Å; Q229-P361 PolarHBondContact NE2-O 2.77Å; Q229-S362 PolarHBondContact OE1-O 2.93Å
230F82.3Confident85.5Confident67 Ų6744.4 Ų44.429%0.29424%0.239SC..EExtended strand (participates in β ladder)trans-157.9156.7178.356.8-80.8000110.6R228 V232 L237 A239 L316R228-F230 HydrophobicContact CG-CD1 4.25Å; F230-V232 HydrophobicContact CD2-CG2 3.57Å; F230-V232 HydrophobicContact CE2-CG2 3.77Å; F230-L237 HydrophobicContact CD2-CB 4.14Å; F230-L237 HydrophobicContact CD2-CD1 4.34Å; F230-L237 HydrophobicContact CE1-CB 4.21Å; F230-L237 HydrophobicContact CE2-CB 3.75Å; F230-L237 HydrophobicContact CE2-CD1 3.58Å; F230-L237 HydrophobicContact CE2-CG 4.29Å; F230-L237 HydrophobicContact CZ-CB 3.78Å; F230-L237 HydrophobicContact CZ-CD1 4.09Å; F230-L237 PolarHBondContact N-O 2.87Å; F230-L237 PolarHBondContact O-N 2.8Å; F230-L237 VanDerWaalsContact O-O 3.04Å; F230-A239 HydrophobicContact CE1-CB 3.97Å; F230-L316 HydrophobicContact CE1-CD1 4.27Å; F230-L316 HydrophobicContact CZ-CD1 3.87Å
231T76.3Confident85.7Confident82 Ų8244.6 Ų44.650%0.50324%0.239SC..EExtended strand (participates in β ladder)trans-115.1126.5-179.1-56.30000109.2K235 H236T231-K235 WeakPolarHBondContact CA-O 3.49Å; T231-H236 PolarHBondContact OG1-ND1 2.82Å
232V72.6Confident86Confident79 Ų7941.9 Ų41.948%0.47922%0.221SC..EExtended strand (participates in β ladder)trans-124.8121.8177.6-173.80000108.7F230 G234 K235 L237F230-V232 HydrophobicContact CD2-CG2 3.57Å; F230-V232 HydrophobicContact CE2-CG2 3.77Å; V232-G234 PolarHBondContact O-N 3.44Å; V232-K235 PolarHBondContact N-O 2.97Å; V232-K235 WeakPolarHBondContact O-CB 3.29Å; V232-K235 PolarHBondContact O-N 2.92Å; V232-L237 HydrophobicContact CB-CD1 4.31Å; V232-L237 HydrophobicContact CG2-CD1 4.04Å
233A66.6Low86.1Confident66 Ų6642.6 Ų42.655%0.54522%0.224SC..THydrogen-bonded Turntrans52.327.8-177.100000113.9K235 R569A233-K235 VanDerWaalsContact C-N 3.34Å; A233-R569 PolarHBondContact O-NH1 2.97Å
234G66.5Low86.1Confident25 Ų2542.4 Ų42.426%0.25822%0.223SC..THydrogen-bonded Turntrans78.38.6-175.900000115.9V232V232-G234 PolarHBondContact O-N 3.44Å
235K77.2Confident85.6Confident119 Ų11942 Ų4252%0.51722%0.222SC..EExtended strand (participates in β ladder)trans-89127.7164.9-63.7176.5177.2179.80108.6T231 V232 A233T231-K235 WeakPolarHBondContact CA-O 3.49Å; V232-K235 PolarHBondContact N-O 2.97Å; V232-K235 WeakPolarHBondContact O-CB 3.29Å; V232-K235 PolarHBondContact O-N 2.92Å; A233-K235 VanDerWaalsContact C-N 3.34Å
236H82.1Confident84.6Confident45 Ų4544.1 Ų44.121%0.20824%0.237CC..EExtended strand (participates in β ladder)trans-83.1118.3174.1-62.7-86000109.4T231 L319T231-H236 PolarHBondContact OG1-ND1 2.82Å; H236-L319 HydrophobicContact CB-CB 4.02Å; H236-L319 HydrophobicContact CB-CD2 4.19Å; H236-L319 PolarHBondContact O-N 2.87Å
237L88.4Confident83.4Confident24 Ų2439.5 Ų39.513%0.12622%0.221CC..EExtended strand (participates in β ladder)trans-113.8140.4179.8-62.9176.1000109.8Q229 F230 V232 L296 L316 F317 Q318Q229-L237 WeakPolarHBondContact CA-O 3.42Å; F230-L237 HydrophobicContact CD2-CB 4.14Å; F230-L237 HydrophobicContact CD2-CD1 4.34Å; F230-L237 HydrophobicContact CE1-CB 4.21Å; F230-L237 HydrophobicContact CE2-CB 3.75Å; F230-L237 HydrophobicContact CE2-CD1 3.58Å; F230-L237 HydrophobicContact CE2-CG 4.29Å; F230-L237 HydrophobicContact CZ-CB 3.78Å; F230-L237 HydrophobicContact CZ-CD1 4.09Å; F230-L237 PolarHBondContact N-O 2.87Å; F230-L237 PolarHBondContact O-N 2.8Å; F230-L237 VanDerWaalsContact O-O 3.04Å; V232-L237 HydrophobicContact CB-CD1 4.31Å; V232-L237 HydrophobicContact CG2-CD1 4.04Å; L237-L296 HydrophobicContact CD2-CD1 4.14Å; L237-L316 HydrophobicContact CB-CD1 4.27Å; L237-F317 CarbonylContact C-O 3.57Å; L237-F317 WeakPolarHBondContact CA-O 3.48Å; L237-Q318 HydrophobicContact CD2-CB 3.73Å; L237-Q318 HydrophobicContact CD2-CG 3.87Å
238T90.8Very high82.4Confident3 Ų347.1 Ų47.12%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-124.7115.8174.6-57.30000108.6C227 Q229 L240 I258 F317C227-T238 VanDerWaalsContact SG-CG2 3.58Å; Q229-T238 HydrophobicContact CG-CG2 3.97Å; T238-L240 HydrophobicContact CG2-CD2 4.2Å; T238-I258 HydrophobicContact CG2-CD1 3.74Å; T238-F317 PolarHBondContact N-O 2.79Å; T238-F317 PolarHBondContact O-N 2.84Å
239A92.3Very high81.9Confident13 Ų1343.9 Ų43.911%0.10725%0.245CC..EExtended strand (participates in β ladder)trans-94.5121.7171.300000109.5F116 C227 R228 F230 F315 L316F116-A239 HydrophobicContact CE1-CB 4.16Å; F116-A239 HydrophobicContact CZ-CB 4.31Å; C227-A239 WeakPolarHBondContact CA-O 3.25Å; R228-A239 PolarHBondContact N-O 3.38Å; R228-A239 PolarHBondContact O-N 3.36Å; F230-A239 HydrophobicContact CE1-CB 3.97Å; A239-F315 CarbonylContact C-O 3.6Å; A239-F315 WeakPolarHBondContact CA-O 3.28Å; A239-L316 HydrophobicContact CB-CD1 4.09Å
240L93.4Very high81.9Confident0 Ų045.1 Ų45.10%025%0.251CS..EExtended strand (participates in β ladder)trans-102.8127.9171.3-65.8-174000109.4L225 R226 C227 T238 I256 I258 N314 F315 F317 A339 L360L225-L240 HydrophobicContact CD1-CB 4.18Å; L225-L240 HydrophobicContact CD1-CD1 4.49Å; L225-L240 HydrophobicContact CD2-CD2 4.42Å; R226-L240 CarbonylContact O-C 3.48Å; R226-L240 WeakPolarHBondContact O-CA 3.4Å; C227-L240 HydrophobicContact CB-CD2 3.81Å; T238-L240 HydrophobicContact CG2-CD2 4.2Å; L240-I256 HydrophobicContact CD1-CG2 3.8Å; L240-I258 HydrophobicContact CD1-CD1 3.78Å; L240-I258 HydrophobicContact CD1-CG1 3.76Å; L240-I258 HydrophobicContact CD2-CD1 4.48Å; L240-I258 HydrophobicContact CG-CD1 4.06Å; L240-N314 CarbonylContact O-C 3.5Å; L240-N314 WeakPolarHBondContact O-CA 3.36Å; L240-F315 PolarHBondContact N-O 2.99Å; L240-F315 PolarHBondContact O-N 3.43Å; L240-F317 HydrophobicContact CB-CE2 4.33Å; L240-F317 HydrophobicContact CD1-CD2 4.21Å; L240-F317 HydrophobicContact CD1-CE2 3.75Å; L240-F317 HydrophobicContact CD1-CZ 4.39Å; L240-F317 HydrophobicContact CG-CD2 4.22Å; L240-F317 HydrophobicContact CG-CE2 4.11Å; L240-A339 HydrophobicContact CD1-CB 4.13Å; L240-L360 HydrophobicContact CD2-CD1 4.36Å; L240-L360 HydrophobicContact CD2-CD2 3.8Å
241K93Very high82.2Confident29 Ų2942 Ų4213%0.12624%0.237CC..EExtended strand (participates in β ladder)trans-107.6117.6173.8172.7178.3-76-1420108.1F116 L225 R226 E312 H313 N314F116-K241 HydrophobicContact CD1-CB 3.8Å; F116-K241 HydrophobicContact CE1-CB 3.62Å; F116-K241 HydrophobicContact CZ-CB 4.31Å; L225-K241 WeakPolarHBondContact CA-O 3.28Å; R226-K241 HydrophobicContact CB-CB 4.28Å; R226-K241 PolarHBondContact N-O 2.77Å; R226-K241 PolarHBondContact O-N 2.82Å; K241-E312 WeakPolarHBondContact CD-OE2 3.46Å; K241-E312 WeakPolarHBondContact CE-OE2 3.46Å; K241-E312 HydrophobicContact CG-CB 4.43Å; K241-E312 IonicContact NZ-OE1 3.39Å; K241-E312 PolarHBondContact NZ-OE1 2.84Å; K241-E312 IonicContact NZ-OE2 3.85Å; K241-E312 PolarHBondContact NZ-OE2 2.98Å; K241-H313 WeakPolarHBondContact CA-O 3.31Å; K241-N314 WeakPolarHBondContact CB-OD1 3.43Å; K241-N314 WeakPolarHBondContact CE-OD1 3.16Å
242V93Very high82.9Confident1 Ų139.2 Ų39.21%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-104124.5177.1-174.40000107.9P223 L225 I253 I256 L307 E312 H313 F315P223-V242 HydrophobicContact CB-CG1 3.98Å; L225-V242 HydrophobicContact CD1-CG2 3.65Å; V242-I253 HydrophobicContact CG1-CD1 4.15Å; V242-I256 HydrophobicContact CG2-CD1 3.74Å; V242-L307 HydrophobicContact CG1-CD2 4.11Å; V242-E312 VanDerWaalsContact O-CA 3.31Å; V242-E312 WeakPolarHBondContact O-CA 3.42Å; V242-H313 PolarHBondContact N-O 2.94Å; V242-H313 PolarHBondContact O-N 2.92Å; V242-F315 HydrophobicContact CB-CE2 4.11Å; V242-F315 HydrophobicContact CG2-CD2 3.85Å; V242-F315 HydrophobicContact CG2-CE2 3.72Å
243L91.5Very high83.8Confident27 Ų2735.5 Ų35.514%0.14120%0.199CC..EExtended strand (participates in β ladder)trans-122.5128.6-176.7171.769.9000109.8P223 V224 S245 E311 E312P223-L243 CarbonylContact C-O 3.6Å; V224-L243 HydrophobicContact CB-CB 4.3Å; V224-L243 PolarHBondContact N-O 3.02Å; V224-L243 PolarHBondContact O-N 3.49Å; L243-S245 PolarHBondContact O-N 3.08Å; L243-S245 VanDerWaalsContact O-N 3.16Å; L243-E311 WeakPolarHBondContact CD1-O 3.5Å; L243-E312 HydrophobicContact CD1-CB 4.1Å
244N90.8Very high84.9Confident3 Ų337.4 Ų37.42%0.01619%0.192CC..  trans-8577.8168.6-1775.9000110.3S247 E249 I251 L307 N308 L310 E311N244-S247 PolarHBondContact ND2-OG 3.16Å; N244-S247 VanDerWaalsContact OD1-CB 3.3Å; N244-S247 WeakPolarHBondContact OD1-CB 3.42Å; N244-S247 PolarHBondContact OD1-N 2.87Å; N244-S247 PolarHBondContact OD1-OG 2.8Å; N244-E249 PolarHBondContact ND2-O 2.94Å; N244-I251 HydrophobicContact CB-CD1 4Å; N244-I251 HydrophobicContact CB-CG1 4.27Å; N244-L307 HydrophobicContact CB-CD2 3.72Å; N244-L307 HydrophobicContact CB-CG 3.82Å; N244-L307 PolarHBondContact ND2-O 2.83Å; N244-L307 VanDerWaalsContact ND2-O 3.11Å; N244-N308 VanDerWaalsContact CB-O 3.32Å; N244-N308 WeakPolarHBondContact CB-O 3.16Å; N244-N308 PolarHBondContact ND2-O 3.11Å; N244-L310 VanDerWaalsContact O-CA 3.25Å; N244-L310 WeakPolarHBondContact O-CA 3.2Å; N244-L310 PolarHBondContact O-N 3.09Å; N244-E311 PolarHBondContact N-O 3.18Å; N244-E311 VanDerWaalsContact N-O 3.09Å
245S82.9Confident86Confident41 Ų4138.2 Ų38.229%0.28719%0.19SC..  trans-80.3-28.2-172.962.40000114.3V224 L243V224-S245 WeakPolarHBondContact CG2-OG 3.31Å; L243-S245 PolarHBondContact O-N 3.08Å; L243-S245 VanDerWaalsContact O-N 3.16Å
246S72.4Confident86.6Confident46 Ų4632.7 Ų32.732%0.32217%0.166SC..SBendtrans-126.7-17.2-160.2-53.40000113.7P221P221-S246 VanDerWaalsContact CG-OG 3.28Å; P221-S246 WeakPolarHBondContact CG-OG 3.49Å
247S67Low87Confident8 Ų836.1 Ų36.16%0.05618%0.178CC..  trans-79.2129.4172.784.60000108.1N244 E249 I251N244-S247 PolarHBondContact ND2-OG 3.16Å; N244-S247 VanDerWaalsContact OD1-CB 3.3Å; N244-S247 WeakPolarHBondContact OD1-CB 3.42Å; N244-S247 PolarHBondContact OD1-N 2.87Å; N244-S247 PolarHBondContact OD1-OG 2.8Å; S247-E249 PolarHBondContact O-N 3.17Å; S247-E249 VanDerWaalsContact O-N 3.16Å; S247-E249 PolarHBondContact OG-O 2.84Å; S247-I251 WeakPolarHBondContact OG-CG2 3.43Å
248Q72.4Confident87Confident161 Ų16135.1 Ų35.175%0.75217%0.172SC*.SBendtrans-73.47.5172.4-63.6-177-22.800111.4
249E81.2Confident86.8Confident26 Ų2636.5 Ų36.512%0.12118%0.179CC..SBendtrans-134.8164.1-163.8-56.4-173.9162.900109.7H37 N244 S247 K347H37-E249 IonicContact CE1-OE1 3.93Å; H37-E249 IonicContact NE2-OE1 3.59Å; N244-E249 PolarHBondContact ND2-O 2.94Å; S247-E249 PolarHBondContact O-N 3.17Å; S247-E249 VanDerWaalsContact O-N 3.16Å; S247-E249 PolarHBondContact OG-O 2.84Å; E249-K347 VanDerWaalsContact OE1-CD 3.3Å; E249-K347 WeakPolarHBondContact OE1-CD 3.49Å; E249-K347 VanDerWaalsContact OE1-CE 3.3Å; E249-K347 WeakPolarHBondContact OE1-CE 3.26Å; E249-K347 IonicContact OE1-NZ 2.95Å; E249-K347 PolarHBondContact OE1-NZ 2.9Å; E249-K347 WeakPolarHBondContact OE2-CD 3.42Å; E249-K347 IonicContact OE2-NZ 3.99Å
250E87.1Confident86.3Confident82 Ų8236.1 Ų36.138%0.38318%0.176SC..  trans-73.6137.6172-170.4-175.2169.300110P306 T345 P346E250-P306 HydrophobicContact CG-CB 4.4Å; E250-P306 WeakPolarHBondContact OE1-CB 3.39Å; E250-T345 PolarHBondContact O-OG1 3.48Å; E250-P346 WeakPolarHBondContact O-CD 3.4Å
251I89.7Confident85.6Confident1 Ų136.8 Ų36.81%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-116.1148.3172.367.9172.8000109.6P223 N244 S247 I253 P306 L307 W343 S344P223-I251 HydrophobicContact CB-CD1 3.83Å; P223-I251 HydrophobicContact CG-CD1 3.3Å; N244-I251 HydrophobicContact CB-CD1 4Å; N244-I251 HydrophobicContact CB-CG1 4.27Å; S247-I251 WeakPolarHBondContact OG-CG2 3.43Å; I251-I253 HydrophobicContact CD1-CD1 3.94Å; I251-I253 HydrophobicContact CG1-CD1 4.41Å; I251-P306 CarbonylContact O-C 3.59Å; I251-P306 WeakPolarHBondContact O-CA 3.21Å; I251-L307 HydrophobicContact CD1-CB 4.35Å; I251-L307 HydrophobicContact CD1-CD2 4.03Å; I251-L307 HydrophobicContact CG1-CB 3.72Å; I251-L307 HydrophobicContact CG1-CD2 4.32Å; I251-L307 HydrophobicContact CG1-CG 4.43Å; I251-L307 PolarHBondContact N-O 3.25Å; I251-L307 PolarHBondContact O-N 3.4Å; I251-W343 HydrophobicContact CB-CE3 4.47Å; I251-W343 HydrophobicContact CG2-CE3 4.32Å; I251-W343 HydrophobicContact CG2-CZ3 4.42Å; I251-S344 CarbonylContact C-O 3.58Å; I251-S344 WeakPolarHBondContact CA-O 3.34Å
252S90.1Very high84.5Confident24 Ų2438 Ų3817%0.16819%0.185CC..EExtended strand (participates in β ladder)trans-110.6121.7174.8-49.40000109.2W343 S344S252-W343 CarbonylContact O-C 3.55Å; S252-W343 WeakPolarHBondContact O-CA 3.26Å; S252-S344 PolarHBondContact N-O 2.71Å; S252-S344 PolarHBondContact O-N 2.78Å
253I90.8Very high83.3Confident2 Ų238.2 Ų38.21%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-87.8121.8173.6-52.5-57.1000108.6V242 I251 I256 F303 P304 C305 V341 W343V242-I253 HydrophobicContact CG1-CD1 4.15Å; I251-I253 HydrophobicContact CD1-CD1 3.94Å; I251-I253 HydrophobicContact CG1-CD1 4.41Å; I253-I256 HydrophobicContact CG2-CD1 3.93Å; I253-I256 HydrophobicContact CG2-CG1 3.75Å; I253-F303 HydrophobicContact CB-CE1 4.48Å; I253-F303 HydrophobicContact CG2-CE1 3.9Å; I253-F303 VanDerWaalsContact O-CD1 3.26Å; I253-F303 WeakPolarHBondContact O-CD1 3.41Å; I253-P304 CarbonylContact O-C 3.56Å; I253-P304 VanDerWaalsContact O-CA 3.25Å; I253-P304 WeakPolarHBondContact O-CA 3.31Å; I253-C305 PolarHBondContact N-O 2.87Å; I253-C305 PolarHBondContact O-N 2.54Å; I253-V341 HydrophobicContact CD1-CG1 4.19Å; I253-V341 HydrophobicContact CG2-CG1 4.32Å; I253-W343 HydrophobicContact CD1-CB 3.69Å
254W89.3Confident81.9Confident105 Ų10540.5 Ų40.540%0.39821%0.209SC..EExtended strand (participates in β ladder)trans-94-38.1-178.3-70.194.4000113.1F303 P304 Q342 S344W254-F303 WeakPolarHBondContact O-CB 3.33Å; W254-F303 WeakPolarHBondContact O-CD1 3.18Å; W254-F303 WeakPolarHBondContact O-CD2 3.42Å; W254-F303 WeakPolarHBondContact O-CG 3.48Å; W254-P304 HydrophobicContact CD2-CB 3.91Å; W254-P304 HydrophobicContact CE3-CB 3.72Å; W254-P304 HydrophobicContact CE3-CG 4.04Å; W254-P304 HydrophobicContact CH2-CB 4.14Å; W254-P304 HydrophobicContact CH2-CG 3.84Å; W254-P304 HydrophobicContact CZ2-CB 4.31Å; W254-P304 HydrophobicContact CZ2-CG 4.41Å; W254-P304 HydrophobicContact CZ3-CB 3.85Å; W254-P304 HydrophobicContact CZ3-CG 3.63Å; W254-Q342 HydrophobicContact CB-CB 4.19Å; W254-Q342 HydrophobicContact CB-CG 3.86Å; W254-Q342 HydrophobicContact CG-CG 4.48Å; W254-Q342 PolarHBondContact N-O 2.81Å; W254-S344 PolarHBondContact NE1-OG 2.97Å
255D89.8Confident80.7Confident42 Ų4243.6 Ų43.623%0.22523%0.23CC..EExtended strand (participates in β ladder)trans-159.8150.9-178.6-174.633.1000111R257 Q342D255-R257 VanDerWaalsContact OD2-CD 3.26Å; D255-R257 WeakPolarHBondContact OD2-CD 3.36Å; D255-R257 VanDerWaalsContact OD2-CG 3.31Å; D255-R257 WeakPolarHBondContact OD2-CG 3.49Å; D255-R257 IonicContact OD2-CZ 2.71Å; D255-R257 IonicContact OD2-NE 2.82Å; D255-R257 PolarHBondContact OD2-NE 2.81Å; D255-Q342 HydrophobicContact CB-CB 4.19Å; D255-Q342 PolarHBondContact N-O 3.28Å; D255-Q342 PolarHBondContact O-N 3.28Å
256I90.8Very high79.9Confident3 Ų343.9 Ų43.92%0.01523%0.226CC..EExtended strand (participates in β ladder)trans-137.5122.5173.9-56.1172.6000108.8L240 V242 I253 F303 F315 F317 V340 V341L240-I256 HydrophobicContact CD1-CG2 3.8Å; V242-I256 HydrophobicContact CG2-CD1 3.74Å; I253-I256 HydrophobicContact CG2-CD1 3.93Å; I253-I256 HydrophobicContact CG2-CG1 3.75Å; I256-F303 HydrophobicContact CB-CZ 4.5Å; I256-F303 HydrophobicContact CG1-CZ 4.24Å; I256-F315 HydrophobicContact CD1-CB 4.4Å; I256-F315 HydrophobicContact CD1-CD1 3.87Å; I256-F315 HydrophobicContact CD1-CD2 3.28Å; I256-F315 HydrophobicContact CD1-CE1 3.87Å; I256-F315 HydrophobicContact CD1-CE2 3.28Å; I256-F315 HydrophobicContact CD1-CG 3.58Å; I256-F315 HydrophobicContact CD1-CZ 3.58Å; I256-F317 HydrophobicContact CB-CZ 4.07Å; I256-F317 HydrophobicContact CG2-CE2 4.14Å; I256-F317 HydrophobicContact CG2-CZ 3.69Å; I256-F317 WeakPolarHBondContact O-CE1 3.3Å; I256-F317 WeakPolarHBondContact O-CZ 3.4Å; I256-V340 WeakPolarHBondContact CA-O 3.18Å; I256-V341 HydrophobicContact CG1-CG1 4.39Å; I256-V341 HydrophobicContact CG2-CG2 4.45Å
257R89.9Confident79.6Confident118 Ų11843.8 Ų43.845%0.44522%0.221SC..EExtended strand (participates in β ladder)trans-124.6144.1178.9-68.8179.5-75.4170.53.6111.2D255 A339 V340D255-R257 VanDerWaalsContact OD2-CD 3.26Å; D255-R257 WeakPolarHBondContact OD2-CD 3.36Å; D255-R257 VanDerWaalsContact OD2-CG 3.31Å; D255-R257 WeakPolarHBondContact OD2-CG 3.49Å; D255-R257 IonicContact OD2-CZ 2.71Å; D255-R257 IonicContact OD2-NE 2.82Å; D255-R257 PolarHBondContact OD2-NE 2.81Å; R257-A339 CarbonylContact O-C 3.55Å; R257-A339 VanDerWaalsContact O-CA 3.3Å; R257-A339 WeakPolarHBondContact O-CA 3.32Å; R257-V340 PolarHBondContact N-O 3.2Å; R257-V340 PolarHBondContact O-N 2.75Å
258I89.6Confident79.4Confident3 Ų347 Ų472%0.01524%0.242CC..EExtended strand (participates in β ladder)trans-110.4125.9169.6-61.1-179.9000107.4T238 L240 F293 F317 L337 I338 L360T238-I258 HydrophobicContact CG2-CD1 3.74Å; L240-I258 HydrophobicContact CD1-CD1 3.78Å; L240-I258 HydrophobicContact CD1-CG1 3.76Å; L240-I258 HydrophobicContact CD2-CD1 4.48Å; L240-I258 HydrophobicContact CG-CD1 4.06Å; I258-F293 HydrophobicContact CB-CB 3.79Å; I258-F293 HydrophobicContact CB-CD1 4.25Å; I258-F293 HydrophobicContact CB-CD2 4.44Å; I258-F293 HydrophobicContact CB-CG 3.92Å; I258-F293 HydrophobicContact CD1-CD1 4.38Å; I258-F293 HydrophobicContact CG2-CB 4.1Å; I258-F293 HydrophobicContact CG2-CD1 3.82Å; I258-F293 HydrophobicContact CG2-CD2 3.84Å; I258-F293 HydrophobicContact CG2-CE1 4.17Å; I258-F293 HydrophobicContact CG2-CE2 4.19Å; I258-F293 HydrophobicContact CG2-CG 3.64Å; I258-F293 HydrophobicContact CG2-CZ 4.34Å; I258-F317 HydrophobicContact CD1-CB 3.76Å; I258-F317 HydrophobicContact CD1-CD1 3.99Å; I258-F317 HydrophobicContact CD1-CD2 3.66Å; I258-F317 HydrophobicContact CD1-CE2 4.25Å; I258-F317 HydrophobicContact CD1-CG 3.52Å; I258-F317 HydrophobicContact CG1-CD1 4.13Å; I258-F317 HydrophobicContact CG1-CD2 4.32Å; I258-F317 HydrophobicContact CG1-CE1 4.3Å; I258-F317 HydrophobicContact CG1-CG 4.15Å; I258-F317 HydrophobicContact CG1-CZ 4.5Å; I258-L337 HydrophobicContact CG2-CB 4.43Å; I258-L337 HydrophobicContact CG2-CD1 4.22Å; I258-L337 HydrophobicContact CG2-CD2 4.45Å; I258-I338 CarbonylContact C-O 3.56Å; I258-I338 WeakPolarHBondContact CA-O 3.36Å; I258-L360 HydrophobicContact CD1-CD1 4.31Å; I258-L360 HydrophobicContact CG1-CD1 4.14Å; I258-L360 HydrophobicContact CG2-CD1 3.9Å
259L86.3Confident78.7Confident31 Ų3142.2 Ų42.216%0.16222%0.223CC..EExtended strand (participates in β ladder)trans-123.4140.1-178.4-56.9175.9000109.5M290 L337 I338 V340L259-M290 HydrophobicContact CB-CE 4.2Å; L259-M290 HydrophobicContact CD1-CE 4.07Å; L259-M290 HydrophobicContact CD2-CE 4.02Å; L259-M290 HydrophobicContact CG-CE 4.32Å; L259-L337 WeakPolarHBondContact O-CA 3.48Å; L259-I338 PolarHBondContact N-O 2.8Å; L259-I338 PolarHBondContact O-N 3Å; L259-V340 HydrophobicContact CD1-CG2 3.89Å
260P81.8Confident77.5Confident5 Ų544.6 Ų44.63%0.03224%0.236CC..EExtended strand (participates in β ladder)trans-67.4143.6167.330.9-34.6000110.5F262 V288 M290 V335 L337P260-F262 HydrophobicContact CB-CD1 4.32Å; P260-F262 HydrophobicContact CB-CE1 3.54Å; P260-F262 HydrophobicContact CB-CZ 3.76Å; P260-F262 HydrophobicContact CG-CE1 3.66Å; P260-F262 HydrophobicContact CG-CE2 4Å; P260-F262 HydrophobicContact CG-CZ 3.29Å; P260-V288 HydrophobicContact CB-CG1 4.26Å; P260-V288 HydrophobicContact CG-CG1 4.41Å; P260-M290 HydrophobicContact CG-SD 3.84Å; P260-V335 HydrophobicContact CB-CG1 3.72Å; P260-L337 HydrophobicContact CB-CD2 4.44Å
261N77.4Confident75.5Confident15 Ų1544.9 Ų44.98%0.0824%0.244CC..  trans-100.6114.8170.5-174.722.8000108.8N263 P336 I338N261-N263 PolarHBondContact ND2-O 3.22Å; N261-N263 PolarHBondContact OD1-N 3.03Å; N261-N263 PolarHBondContact OD1-O 3.45Å; N261-P336 HydrophobicContact CB-CB 4.22Å; N261-P336 HydrophobicContact CB-CG 4.27Å; N261-P336 PolarHBondContact N-O 2.87Å; N261-P336 VanDerWaalsContact O-CG 3.29Å; N261-P336 WeakPolarHBondContact O-CG 3.28Å; N261-I338 HydrophobicContact CB-CD1 3.57Å; N261-I338 HydrophobicContact CB-CG1 4.05Å
262F71.8Confident73.8Confident55 Ų5550.7 Ų50.724%0.24128%0.275CS..  trans-91.7-5.6180-55.7-50.5000113.6P260 L277 S285 M290P260-F262 HydrophobicContact CB-CD1 4.32Å; P260-F262 HydrophobicContact CB-CE1 3.54Å; P260-F262 HydrophobicContact CB-CZ 3.76Å; P260-F262 HydrophobicContact CG-CE1 3.66Å; P260-F262 HydrophobicContact CG-CE2 4Å; P260-F262 HydrophobicContact CG-CZ 3.29Å; F262-L277 HydrophobicContact CB-CD2 3.61Å; F262-L277 HydrophobicContact CD2-CD2 4.25Å; F262-L277 HydrophobicContact CG-CD2 4.38Å; F262-S285 WeakPolarHBondContact CD1-OG 3.28Å; F262-S285 WeakPolarHBondContact CE1-OG 3.49Å; F262-M290 HydrophobicContact CE2-CG 4.28Å; F262-M290 HydrophobicContact CE2-SD 3.79Å; F262-M290 HydrophobicContact CZ-SD 4.36Å
263N67.8Low72Confident4 Ų452 Ų522%0.02129%0.292CS..SBendtrans-105.3151.7-178.8-65.6-59.1000111.1N261 S265 L267 L276 L277 V278N261-N263 PolarHBondContact ND2-O 3.22Å; N261-N263 PolarHBondContact OD1-N 3.03Å; N261-N263 PolarHBondContact OD1-O 3.45Å; N263-S265 WeakPolarHBondContact CB-O 3.06Å; N263-S265 PolarHBondContact O-N 2.69Å; N263-L267 HydrophobicContact CB-CD1 4.36Å; N263-L267 HydrophobicContact CB-CG 4.47Å; N263-L276 PolarHBondContact ND2-O 2.8Å; N263-L276 PolarHBondContact OD1-O 2.83Å; N263-L277 WeakPolarHBondContact OD1-CA 3.3Å; N263-V278 PolarHBondContact OD1-N 3.05Å
264A61.5Low70.3Confident76 Ų7654.1 Ų54.163%0.62831%0.308SS*.SBendtrans-62.4-36.7175.600000111.5D279A264-D279 VanDerWaalsContact CB-OD2 3.28Å; A264-D279 WeakPolarHBondContact CB-OD2 3.36Å; A264-D279 PolarHBondContact N-OD2 3.2Å
265S65.3Low69Low67 Ų6751 Ų5147%0.46930%0.3SS..SBendtrans-108.5150171.154.50000111.6N263 L267N263-S265 WeakPolarHBondContact CB-O 3.06Å; N263-S265 PolarHBondContact O-N 2.69Å; S265-L267 PolarHBondContact O-N 2.75Å
266Y66.5Low67.6Low48 Ų4853.3 Ų53.319%0.18831%0.312CS..  trans-62.6122.9171.8172.9-108.8000110L122 L123 I338 H357L122-Y266 HydrophobicContact CB-CD1 4.49Å; L122-Y266 HydrophobicContact CD1-CD2 4.47Å; L122-Y266 HydrophobicContact CD1-CG 4.17Å; L123-Y266 HydrophobicContact CB-CE1 4.01Å; L123-Y266 HydrophobicContact CD2-CE1 3.96Å; Y266-I338 HydrophobicContact CD2-CD1 3.46Å; Y266-I338 VanDerWaalsContact CD2-CD1 3.46Å; Y266-I338 HydrophobicContact CD2-CG1 4.36Å; Y266-I338 HydrophobicContact CE2-CD1 3.85Å; Y266-H357 AromaticContact CZ-CD2 3.8Å; Y266-H357 PolarHBondContact OH-CD2 2.89Å; Y266-H357 PolarHBondContact OH-NE2 2.78Å
267L65.6Low66.4Low43 Ų4357.5 Ų57.523%0.22533%0.334CS..  trans-113131.6168.8-64.3178000108.3N263 S265 L276 V278N263-L267 HydrophobicContact CB-CD1 4.36Å; N263-L267 HydrophobicContact CB-CG 4.47Å; S265-L267 PolarHBondContact O-N 2.75Å; L267-L276 HydrophobicContact CD1-CB 4.34Å; L267-V278 HydrophobicContact CD1-CB 3.96Å; L267-V278 HydrophobicContact CD1-CG2 3.37Å
268P62.2Low64.9Low75 Ų7556.7 Ų56.749%0.48734%0.342SS..PPolyproline II helixtrans-60.9141.6176.924.2-30.8000110.1M270P268-M270 PolarHBondContact O-N 2.93Å
269V58.3Low63.3Low61 Ų6159.1 Ų59.137%0.3736%0.355SS..PPolyproline II helixtrans-64.8134.3174.5-1710000107.9G273 S274 V275V269-G273 WeakPolarHBondContact CG1-O 3.35Å; V269-S274 WeakPolarHBondContact CG1-O 2.86Å; V269-V275 HydrophobicContact CG1-CG2 4.29Å; V269-V275 HydrophobicContact CG2-CG2 4.33Å
270M57.1Low61.5Low77 Ų7765 Ų6538%0.37939%0.387SS..PPolyproline II helixtrans-63.6157.2175.5-68.3-131.856.800110.5P268 D272 G273 S274 L276P268-M270 PolarHBondContact O-N 2.93Å; M270-D272 WeakPolarHBondContact CB-OD1 3.46Å; M270-D272 PolarHBondContact O-N 3.37Å; M270-G273 WeakPolarHBondContact O-CA 3.32Å; M270-G273 PolarHBondContact O-N 3.34Å; M270-S274 VanDerWaalsContact CB-O 3.32Å; M270-S274 WeakPolarHBondContact CB-O 3.3Å; M270-S274 WeakPolarHBondContact CB-OG 3.42Å; M270-S274 PolarHBondContact N-O 2.82Å; M270-L276 HydrophobicContact CG-CD1 4.23Å; M270-L276 HydrophobicContact CG-CD2 4.29Å; M270-L276 HydrophobicContact CG-CG 3.82Å; M270-L276 HydrophobicContact SD-CD1 4.1Å; M270-L276 HydrophobicContact SD-CD2 3.8Å; M270-L276 HydrophobicContact SD-CG 3.9Å
271P44.6Very low59.9Low87 Ų8769.2 Ų69.257%0.56541%0.412SS*.THydrogen-bonded Turntrans-62.9-23.8-176.6-19.230.8000114.4T131 G273T131-P271 HydrophobicContact CG2-CB 3.69Å; T131-P271 HydrophobicContact CG2-CG 3.44Å; T131-P271 VanDerWaalsContact CG2-CG 3.44Å; T131-P271 WeakPolarHBondContact OG1-CB 3.23Å; P271-G273 PolarHBondContact O-N 2.91Å
272D52.7Low58.4Low123 Ų12372.5 Ų72.566%0.65844%0.435SS*.THydrogen-bonded Turntrans-78.31.4172.965.8-13.4000113M270 S274M270-D272 WeakPolarHBondContact CB-OD1 3.46Å; M270-D272 PolarHBondContact O-N 3.37Å; D272-S274 VanDerWaalsContact C-N 3.27Å; D272-S274 VanDerWaalsContact CG-OG 3.27Å; D272-S274 PolarHBondContact O-N 2.73Å; D272-S274 VanDerWaalsContact OD1-CB 3.29Å; D272-S274 WeakPolarHBondContact OD1-CB 3.27Å; D272-S274 PolarHBondContact OD1-N 3.41Å; D272-S274 PolarHBondContact OD1-OG 2.81Å; D272-S274 PolarHBondContact OD2-OG 3.13Å; D272-S274 VanDerWaalsContact OD2-OG 3.13Å
273G53Low57.3Low51 Ų5176.7 Ų76.753%0.52646%0.455SS..SBendtrans81.61.1-176.500000113.9V269 M270 P271V269-G273 WeakPolarHBondContact CG1-O 3.35Å; M270-G273 WeakPolarHBondContact O-CA 3.32Å; M270-G273 PolarHBondContact O-N 3.34Å; P271-G273 PolarHBondContact O-N 2.91Å
274S55.8Low56.5Low47 Ų4781.5 Ų81.533%0.32948%0.478SS..PPolyproline II helixtrans-75.3145.9176.772.30000111V269 M270 D272V269-S274 WeakPolarHBondContact CG1-O 2.86Å; M270-S274 VanDerWaalsContact CB-O 3.32Å; M270-S274 WeakPolarHBondContact CB-O 3.3Å; M270-S274 WeakPolarHBondContact CB-OG 3.42Å; M270-S274 PolarHBondContact N-O 2.82Å; D272-S274 VanDerWaalsContact C-N 3.27Å; D272-S274 VanDerWaalsContact CG-OG 3.27Å; D272-S274 PolarHBondContact O-N 2.73Å; D272-S274 VanDerWaalsContact OD1-CB 3.29Å; D272-S274 WeakPolarHBondContact OD1-CB 3.27Å; D272-S274 PolarHBondContact OD1-N 3.41Å; D272-S274 PolarHBondContact OD1-OG 2.81Å; D272-S274 PolarHBondContact OD2-OG 3.13Å; D272-S274 VanDerWaalsContact OD2-OG 3.13Å
275V60.9Low55.9Low40 Ų4079.3 Ų79.324%0.24246%0.458CS..PPolyproline II helixtrans-102.4121.1174.3-179.40000106.9V269 L277 M290V269-V275 HydrophobicContact CG1-CG2 4.29Å; V269-V275 HydrophobicContact CG2-CG2 4.33Å; V275-L277 HydrophobicContact CG1-CD2 4.27Å; V275-L277 PolarHBondContact O-N 3.06Å; V275-L277 VanDerWaalsContact O-N 3.15Å; V275-M290 HydrophobicContact CG2-CE 3.93Å
276L62Low55.4Low90 Ų9080.1 Ų80.147%0.47148%0.476SS..PPolyproline II helixtrans-63.3117170.6-70.3174.2000108.2N263 L267 M270 V278N263-L276 PolarHBondContact ND2-O 2.8Å; N263-L276 PolarHBondContact OD1-O 2.83Å; L267-L276 HydrophobicContact CD1-CB 4.34Å; M270-L276 HydrophobicContact CG-CD1 4.23Å; M270-L276 HydrophobicContact CG-CD2 4.29Å; M270-L276 HydrophobicContact CG-CG 3.82Å; M270-L276 HydrophobicContact SD-CD1 4.1Å; M270-L276 HydrophobicContact SD-CD2 3.8Å; M270-L276 HydrophobicContact SD-CG 3.9Å; L276-V278 HydrophobicContact CB-CG2 4.43Å
277L65.3Low55.1Low91 Ų9179.7 Ų79.748%0.47648%0.476SS..  trans-97.9104.1172.7-60.2176000106.7F262 N263 V275F262-L277 HydrophobicContact CB-CD2 3.61Å; F262-L277 HydrophobicContact CD2-CD2 4.25Å; F262-L277 HydrophobicContact CG-CD2 4.38Å; N263-L277 WeakPolarHBondContact OD1-CA 3.3Å; V275-L277 HydrophobicContact CG1-CD2 4.27Å; V275-L277 PolarHBondContact O-N 3.06Å; V275-L277 VanDerWaalsContact O-N 3.15Å
278V58Low55.3Low102 Ų10277.7 Ų77.762%0.61847%0.466SS*.  trans-97.2-29.4-175.4177.30000111N263 L267 L276N263-V278 PolarHBondContact OD1-N 3.05Å; L267-V278 HydrophobicContact CD1-CB 3.96Å; L267-V278 HydrophobicContact CD1-CG2 3.37Å; L276-V278 HydrophobicContact CB-CG2 4.43Å
279D55.7Low55.8Low53 Ų5377.2 Ų77.228%0.28346%0.464SS..  trans-100.9128.2-177.6-62.3-39000110.3A264 V281A264-D279 VanDerWaalsContact CB-OD2 3.28Å; A264-D279 WeakPolarHBondContact CB-OD2 3.36Å; A264-D279 PolarHBondContact N-OD2 3.2Å; D279-V281 HydrophobicContact CB-CB 3.91Å; D279-V281 HydrophobicContact CB-CG2 3.79Å; D279-V281 PolarHBondContact O-N 3.42Å
280N47.8Very low56.5Low156 Ų15677.6 Ų77.683%0.83446%0.463SS*.  trans-67.418.7165-76-37.5000112.4C282N280-C282 PolarHBondContact O-N 2.82Å; N280-C282 VanDerWaalsContact O-N 3.17Å
281V49.4Very low57.2Low92 Ų9276.5 Ų76.556%0.55847%0.471SS*.SBendtrans-83.398.1-174.8179.20000107.8D279D279-V281 HydrophobicContact CB-CB 3.91Å; D279-V281 HydrophobicContact CB-CG2 3.79Å; D279-V281 PolarHBondContact O-N 3.42Å
282C44.8Very low58.9Low85 Ų8572.7 Ų72.757%0.57445%0.447SS*.  trans68.369.5164.6-64.20000117.1N280 Q284N280-C282 PolarHBondContact O-N 2.82Å; N280-C282 VanDerWaalsContact O-N 3.17Å; C282-Q284 PolarHBondContact O-N 2.94Å
283H49Very low60.4Low142 Ų14267.6 Ų67.666%0.65742%0.419SS*.THydrogen-bonded Turntrans-67.844.4150.8-63.7-69.3000113
284Q50.6Low61.9Low106 Ų10666.5 Ų66.550%0.49540%0.403SS..THydrogen-bonded Turntrans-83.2-4157.6-66.9-174.76.800111.1C282 G286 L333C282-Q284 PolarHBondContact O-N 2.94Å; Q284-G286 VanDerWaalsContact C-N 3.26Å; Q284-G286 PolarHBondContact O-N 3.22Å; Q284-G286 VanDerWaalsContact O-N 3.08Å; Q284-L333 HydrophobicContact CB-CD1 4.01Å
285S50.4Low63.4Low30 Ų3068.4 Ų68.421%0.2140%0.403CS..THydrogen-bonded Turntrans-81.831.6-172.3-1660000116F262 E287F262-S285 WeakPolarHBondContact CD1-OG 3.28Å; F262-S285 WeakPolarHBondContact CE1-OG 3.49Å; S285-E287 PolarHBondContact O-N 3.35Å
286G53.2Low64.5Low83 Ų8368.9 Ų68.986%0.85640%0.404SS*.THydrogen-bonded Turntrans-70.6-15.4167.100000113.2Q284Q284-G286 VanDerWaalsContact C-N 3.26Å; Q284-G286 PolarHBondContact O-N 3.22Å; Q284-G286 VanDerWaalsContact O-N 3.08Å
287E60Low65.3Low39 Ų3970.5 Ų70.518%0.18242%0.419CS..SBendtrans-88.8-30.8-171.7-168.1179.1-145.400113.8S285 L333 R367S285-E287 PolarHBondContact O-N 3.35Å; E287-L333 HydrophobicContact CB-CD2 4.34Å; E287-L333 WeakPolarHBondContact OE2-CD2 3.3Å; E287-R367 IonicContact OE1-CZ 3.63Å; E287-R367 IonicContact OE1-NE 3.59Å; E287-R367 IonicContact OE1-NH2 3.15Å; E287-R367 PolarHBondContact OE1-NH2 3.19Å; E287-R367 VanDerWaalsContact OE1-NH2 3.15Å; E287-R367 IonicContact OE2-CZ 3.59Å; E287-R367 IonicContact OE2-NE 3.77Å; E287-R367 IonicContact OE2-NH2 2.65Å; E287-R367 PolarHBondContact OE2-NH2 3.47Å
288V69.9Low65.4Low1 Ų168.4 Ų68.41%0.00642%0.42CS..SBendtrans-117.5100.6-178.9-176.30000109.3P260 F293 L319 L333 V335 L365P260-V288 HydrophobicContact CB-CG1 4.26Å; P260-V288 HydrophobicContact CG-CG1 4.41Å; V288-F293 HydrophobicContact CG1-CE2 4.01Å; V288-L319 HydrophobicContact CG1-CD1 3.94Å; V288-L319 HydrophobicContact CG2-CD1 4.41Å; V288-L333 HydrophobicContact CG2-CD2 4.33Å; V288-V335 HydrophobicContact CB-CG2 4.49Å; V288-V335 HydrophobicContact CG2-CG2 4.16Å; V288-L365 HydrophobicContact CG2-CD1 3.76Å
289S73.6Confident65.3Low65 Ų6571.1 Ų71.146%0.45544%0.437SS..  trans-80.8166.517774.40000112.2G291 S292S289-G291 PolarHBondContact O-N 3.42Å; S289-G291 VanDerWaalsContact O-N 3.13Å; S289-G291 PolarHBondContact OG-N 2.79Å; S289-S292 PolarHBondContact N-OG 3.02Å; S289-S292 WeakPolarHBondContact O-CB 2.93Å; S289-S292 PolarHBondContact O-N 3.33Å; S289-S292 PolarHBondContact O-OG 3.22Å; S289-S292 PolarHBondContact OG-N 3.16Å; S289-S292 PolarHBondContact OG-OG 3.3Å
290M72.3Confident65.4Low70 Ų7073.8 Ų73.835%0.34546%0.46SS..THydrogen-bonded Turntrans-57.7-24.3172.8-66.2-64.5-80.800113.6L259 P260 F262 V275L259-M290 HydrophobicContact CB-CE 4.2Å; L259-M290 HydrophobicContact CD1-CE 4.07Å; L259-M290 HydrophobicContact CD2-CE 4.02Å; L259-M290 HydrophobicContact CG-CE 4.32Å; P260-M290 HydrophobicContact CG-SD 3.84Å; F262-M290 HydrophobicContact CE2-CG 4.28Å; F262-M290 HydrophobicContact CE2-SD 3.79Å; F262-M290 HydrophobicContact CZ-SD 4.36Å; V275-M290 HydrophobicContact CG2-CE 3.93Å
291G72.6Confident65.8Low54 Ų5468 Ų6856%0.55744%0.437SS*.THydrogen-bonded Turntrans-994.5178.400000114.7S289 F293S289-G291 PolarHBondContact O-N 3.42Å; S289-G291 VanDerWaalsContact O-N 3.13Å; S289-G291 PolarHBondContact OG-N 2.79Å; G291-F293 VanDerWaalsContact C-N 3.31Å; G291-F293 PolarHBondContact O-N 2.76Å
292S80.4Confident66.7Low7 Ų768.8 Ų68.85%0.04945%0.445CS..  trans-70.7-25.1-172.6-72.10000113.1S289 C294 L319 R320S289-S292 PolarHBondContact N-OG 3.02Å; S289-S292 WeakPolarHBondContact O-CB 2.93Å; S289-S292 PolarHBondContact O-N 3.33Å; S289-S292 PolarHBondContact O-OG 3.22Å; S289-S292 PolarHBondContact OG-N 3.16Å; S289-S292 PolarHBondContact OG-OG 3.3Å; S292-C294 PolarHBondContact O-N 3.17Å; S292-L319 CarbonylContact O-C 3.58Å; S292-L319 WeakPolarHBondContact O-CA 3.49Å; S292-R320 VanDerWaalsContact CB-O 3.28Å; S292-R320 WeakPolarHBondContact CB-O 3.3Å; S292-R320 PolarHBondContact O-N 3.37Å; S292-R320 PolarHBondContact OG-O 3.27Å
293F83.7Confident68.3Low16 Ų1667.1 Ų67.17%0.0743%0.428CS..EExtended strand (participates in β ladder)trans-89.3104.7175.5-71.4-91.3000110.9I258 V288 G291 L319 L337 V363I258-F293 HydrophobicContact CB-CB 3.79Å; I258-F293 HydrophobicContact CB-CD1 4.25Å; I258-F293 HydrophobicContact CB-CD2 4.44Å; I258-F293 HydrophobicContact CB-CG 3.92Å; I258-F293 HydrophobicContact CD1-CD1 4.38Å; I258-F293 HydrophobicContact CG2-CB 4.1Å; I258-F293 HydrophobicContact CG2-CD1 3.82Å; I258-F293 HydrophobicContact CG2-CD2 3.84Å; I258-F293 HydrophobicContact CG2-CE1 4.17Å; I258-F293 HydrophobicContact CG2-CE2 4.19Å; I258-F293 HydrophobicContact CG2-CG 3.64Å; I258-F293 HydrophobicContact CG2-CZ 4.34Å; V288-F293 HydrophobicContact CG1-CE2 4.01Å; G291-F293 VanDerWaalsContact C-N 3.31Å; G291-F293 PolarHBondContact O-N 2.76Å; F293-L319 HydrophobicContact CD1-CB 4.34Å; F293-L319 HydrophobicContact CD1-CD1 4.36Å; F293-L319 HydrophobicContact CD2-CD1 3.99Å; F293-L319 HydrophobicContact CE1-CB 4.05Å; F293-L319 HydrophobicContact CE1-CD1 4.05Å; F293-L319 HydrophobicContact CE2-CD1 3.63Å; F293-L319 HydrophobicContact CG-CD1 4.34Å; F293-L319 HydrophobicContact CZ-CB 4.44Å; F293-L319 HydrophobicContact CZ-CD1 3.66Å; F293-L319 HydrophobicContact CZ-CG 4.45Å; F293-L337 HydrophobicContact CD2-CD2 4.47Å; F293-L337 HydrophobicContact CE1-CD1 3.99Å; F293-L337 HydrophobicContact CE2-CD1 4.3Å; F293-L337 HydrophobicContact CE2-CD2 3.45Å; F293-L337 VanDerWaalsContact CE2-CD2 3.45Å; F293-L337 HydrophobicContact CZ-CD1 3.57Å; F293-L337 HydrophobicContact CZ-CD2 3.53Å; F293-L337 HydrophobicContact CZ-CG 4.22Å; F293-V363 HydrophobicContact CZ-CG1 4.27Å
294C84Confident70Confident28 Ų2863.3 Ų63.319%0.18942%0.416CS..EExtended strand (participates in β ladder)trans-99127.7178.2-70.30000110.5S292 L296 F317 Q318 R320S292-C294 PolarHBondContact O-N 3.17Å; C294-L296 PolarHBondContact O-N 3.23Å; C294-F317 CarbonylContact O-C 3.58Å; C294-F317 WeakPolarHBondContact O-CA 3.48Å; C294-Q318 PolarHBondContact N-O 3.01Å; C294-Q318 PolarHBondContact O-N 2.83Å; C294-R320 HydrophobicContact CB-CG 4.31Å; C294-R320 WeakPolarHBondContact SG-CD 3.24Å
295R87.8Confident71.6Confident86 Ų8659.2 Ų59.233%0.32540%0.399SS..EExtended strand (participates in β ladder)trans-64.3130.9169.3-168.817569.3134.31.6109.3F317R295-F317 HydrophobicContact CB-CD1 3.94Å; R295-F317 HydrophobicContact CB-CE1 3.67Å; R295-F317 HydrophobicContact CB-CZ 4.22Å; R295-F317 HydrophobicContact CG-CD1 4.49Å; R295-F317 HydrophobicContact CG-CE1 4.06Å; R295-F317 HydrophobicContact CG-CZ 4.11Å
296L84.9Confident73.5Confident51 Ų5160.8 Ų60.827%0.26741%0.409SS..PPolyproline II helixtrans-79.7134.9172.4-67.1-179.9000109.3L237 C294 G298 L316 Q318L237-L296 HydrophobicContact CD2-CD1 4.14Å; C294-L296 PolarHBondContact O-N 3.23Å; L296-G298 PolarHBondContact O-N 2.83Å; L296-L316 HydrophobicContact CB-CB 4.5Å; L296-L316 HydrophobicContact CD1-CD2 3.65Å; L296-L316 HydrophobicContact CD1-CG 3.9Å; L296-L316 PolarHBondContact N-O 3.2Å; L296-Q318 HydrophobicContact CD1-CB 4.29Å; L296-Q318 HydrophobicContact CD2-CB 4.07Å; L296-Q318 HydrophobicContact CG-CB 4.17Å
297P77.8Confident75.1Confident123 Ų12356.9 Ų56.980%0.79937%0.368SS*.PPolyproline II helixtrans-63.8126.9178.826-32.4000109.5
298G66.6Low76.5Confident48 Ų4859 Ų5950%0.49538%0.38SS..PPolyproline II helixtrans-94.4154.6171.500000110.9L296 S300 G301L296-G298 PolarHBondContact O-N 2.83Å; G298-S300 PolarHBondContact O-N 2.81Å; G298-G301 PolarHBondContact O-N 3.27Å
299T57.1Low77.4Confident159 Ų15961.4 Ų61.498%0.97540%0.401SS*.THydrogen-bonded Turntrans-64-19.1177.947.80000113.6
300S57.7Low78Confident108 Ų10864.6 Ų64.676%0.75541%0.412SS*.THydrogen-bonded Turntrans-108.72.7-179.548.40000114.3G298 C302G298-S300 PolarHBondContact O-N 2.81Å; S300-C302 PolarHBondContact O-N 3.47Å
301G55.5Low78.9Confident34 Ų3464.5 Ų64.535%0.35141%0.41SS..  trans-98.263.9-152.400000117.7G298G298-G301 PolarHBondContact O-N 3.27Å
302C68Low79.7Confident109 Ų10966.1 Ų66.174%0.73640%0.404SS*.PPolyproline II helixtrans-91.5130.3159.8-70.40000109.5S300 P304S300-C302 PolarHBondContact O-N 3.47Å; C302-P304 CarbonylContact O-C 3.59Å
303F78.6Confident80.2Confident51 Ų5168.1 Ų68.122%0.22441%0.412CS..SBendtrans-82.5146.5164.8-74.1-56.4000109I253 W254 I256 C305 F315I253-F303 HydrophobicContact CB-CE1 4.48Å; I253-F303 HydrophobicContact CG2-CE1 3.9Å; I253-F303 VanDerWaalsContact O-CD1 3.26Å; I253-F303 WeakPolarHBondContact O-CD1 3.41Å; W254-F303 WeakPolarHBondContact O-CB 3.33Å; W254-F303 WeakPolarHBondContact O-CD1 3.18Å; W254-F303 WeakPolarHBondContact O-CD2 3.42Å; W254-F303 WeakPolarHBondContact O-CG 3.48Å; I256-F303 HydrophobicContact CB-CZ 4.5Å; I256-F303 HydrophobicContact CG1-CZ 4.24Å; F303-C305 HydrophobicContact CD1-CB 4.18Å; F303-C305 HydrophobicContact CE1-CB 4.5Å; F303-F315 AromaticContact CE1-CE1 3.93Å; F303-F315 HydrophobicContact CE1-CE1 3.93Å; F303-F315 HydrophobicContact CE1-CZ 4.42Å; F303-F315 HydrophobicContact CZ-CD1 4.49Å; F303-F315 HydrophobicContact CZ-CE1 4.08Å
304P84.3Confident80.5Confident62 Ų6271.8 Ų71.840%0.40343%0.433SS..SBendcis-72.6144.8-229.3-34.4000113.4I253 W254 C302I253-P304 CarbonylContact O-C 3.56Å; I253-P304 VanDerWaalsContact O-CA 3.25Å; I253-P304 WeakPolarHBondContact O-CA 3.31Å; W254-P304 HydrophobicContact CD2-CB 3.91Å; W254-P304 HydrophobicContact CE3-CB 3.72Å; W254-P304 HydrophobicContact CE3-CG 4.04Å; W254-P304 HydrophobicContact CH2-CB 4.14Å; W254-P304 HydrophobicContact CH2-CG 3.84Å; W254-P304 HydrophobicContact CZ2-CB 4.31Å; W254-P304 HydrophobicContact CZ2-CG 4.41Å; W254-P304 HydrophobicContact CZ3-CB 3.85Å; W254-P304 HydrophobicContact CZ3-CG 3.63Å; C302-P304 CarbonylContact O-C 3.59Å
305C85.8Confident80.8Confident19 Ų1971.4 Ų71.413%0.12843%0.428CS..EExtended strand (participates in β ladder)trans-108116179.4172.90000109.7I253 F303 H313I253-C305 PolarHBondContact N-O 2.87Å; I253-C305 PolarHBondContact O-N 2.54Å; F303-C305 HydrophobicContact CD1-CB 4.18Å; F303-C305 HydrophobicContact CE1-CB 4.5Å; C305-H313 PolarHBondContact SG-CD2 3.45Å; C305-H313 PolarHBondContact SG-NE2 3.29Å
306P88.9Confident81Confident64 Ų6470.2 Ų70.242%0.41643%0.428SS..EExtended strand (participates in β ladder)trans-71.6144.7176.328.6-32.6000111.6E250 I251E250-P306 HydrophobicContact CG-CB 4.4Å; E250-P306 WeakPolarHBondContact OE1-CB 3.39Å; I251-P306 CarbonylContact O-C 3.59Å; I251-P306 WeakPolarHBondContact O-CA 3.21Å
307L88.4Confident81.3Confident1 Ų168 Ų681%0.00542%0.416CS..EExtended strand (participates in β ladder)trans-137.8107.1178.7-167.171000109.3V242 N244 I251 E311 H313V242-L307 HydrophobicContact CG1-CD2 4.11Å; N244-L307 HydrophobicContact CB-CD2 3.72Å; N244-L307 HydrophobicContact CB-CG 3.82Å; N244-L307 PolarHBondContact ND2-O 2.83Å; N244-L307 VanDerWaalsContact ND2-O 3.11Å; I251-L307 HydrophobicContact CD1-CB 4.35Å; I251-L307 HydrophobicContact CD1-CD2 4.03Å; I251-L307 HydrophobicContact CG1-CB 3.72Å; I251-L307 HydrophobicContact CG1-CD2 4.32Å; I251-L307 HydrophobicContact CG1-CG 4.43Å; I251-L307 PolarHBondContact N-O 3.25Å; I251-L307 PolarHBondContact O-N 3.4Å; L307-E311 HydrophobicContact CD1-CB 3.76Å; L307-E311 HydrophobicContact CD1-CG 3.76Å; L307-E311 WeakPolarHBondContact CD1-O 3.37Å; L307-E311 HydrophobicContact CG-CB 4.17Å; L307-E311 WeakPolarHBondContact CG-O 3.49Å; L307-H313 HydrophobicContact CD1-CB 4.2Å; L307-H313 WeakPolarHBondContact CD1-ND1 3.5Å
308N89.1Confident81.8Confident82 Ų8264 Ų6444%0.43939%0.386SS..  trans-68.7168178.2-65.4-71.2000111.8N244 L310 E311N244-N308 VanDerWaalsContact CB-O 3.32Å; N244-N308 WeakPolarHBondContact CB-O 3.16Å; N244-N308 PolarHBondContact ND2-O 3.11Å; N308-L310 PolarHBondContact O-N 3.36Å; N308-E311 HydrophobicContact CB-CB 4.13Å; N308-E311 VanDerWaalsContact CB-OE2 3.27Å; N308-E311 WeakPolarHBondContact CB-OE2 3.37Å; N308-E311 PolarHBondContact N-OE2 3.31Å; N308-E311 PolarHBondContact ND2-OE2 2.84Å; N308-E311 VanDerWaalsContact O-CB 3.23Å; N308-E311 WeakPolarHBondContact O-CB 3.44Å; N308-E311 PolarHBondContact O-N 2.85Å
309A87.9Confident82.7Confident52 Ų5262.4 Ų62.443%0.4337%0.366SS..THydrogen-bonded Turntrans-55.4130.317400000110.7E311A309-E311 PolarHBondContact O-N 2.87Å; A309-E311 VanDerWaalsContact O-N 3.17Å
310L87.7Confident83.8Confident132 Ų13262 Ų6269%0.69135%0.347SS*.THydrogen-bonded Turntrans64.35.3-176.5-49.8177.1000115.6N244 N308N244-L310 VanDerWaalsContact O-CA 3.25Å; N244-L310 WeakPolarHBondContact O-CA 3.2Å; N244-L310 PolarHBondContact O-N 3.09Å; N308-L310 PolarHBondContact O-N 3.36Å
311E90.2Very high84.2Confident68 Ų6858.9 Ų58.932%0.31833%0.332SS..  trans-77.7147.4175.5-166.2175.4-175.300111.1L243 N244 L307 N308 A309 H313L243-E311 WeakPolarHBondContact CD1-O 3.5Å; N244-E311 PolarHBondContact N-O 3.18Å; N244-E311 VanDerWaalsContact N-O 3.09Å; L307-E311 HydrophobicContact CD1-CB 3.76Å; L307-E311 HydrophobicContact CD1-CG 3.76Å; L307-E311 WeakPolarHBondContact CD1-O 3.37Å; L307-E311 HydrophobicContact CG-CB 4.17Å; L307-E311 WeakPolarHBondContact CG-O 3.49Å; N308-E311 HydrophobicContact CB-CB 4.13Å; N308-E311 VanDerWaalsContact CB-OE2 3.27Å; N308-E311 WeakPolarHBondContact CB-OE2 3.37Å; N308-E311 PolarHBondContact N-OE2 3.31Å; N308-E311 PolarHBondContact ND2-OE2 2.84Å; N308-E311 VanDerWaalsContact O-CB 3.23Å; N308-E311 WeakPolarHBondContact O-CB 3.44Å; N308-E311 PolarHBondContact O-N 2.85Å; A309-E311 PolarHBondContact O-N 2.87Å; A309-E311 VanDerWaalsContact O-N 3.17Å; E311-H313 IonicContact OE1-CE1 2.63Å; E311-H313 PolarHBondContact OE1-CE1 2.87Å; E311-H313 VanDerWaalsContact OE1-CE1 3.27Å; E311-H313 IonicContact OE1-ND1 3.69Å
312E89.7Confident84.1Confident88 Ų8859.8 Ų59.841%0.41134%0.341SS..EExtended strand (participates in β ladder)trans-124.4140176.459.2169.9-13700112.3K241 V242 L243K241-E312 WeakPolarHBondContact CD-OE2 3.46Å; K241-E312 WeakPolarHBondContact CE-OE2 3.46Å; K241-E312 HydrophobicContact CG-CB 4.43Å; K241-E312 IonicContact NZ-OE1 3.39Å; K241-E312 PolarHBondContact NZ-OE1 2.84Å; K241-E312 IonicContact NZ-OE2 3.85Å; K241-E312 PolarHBondContact NZ-OE2 2.98Å; V242-E312 VanDerWaalsContact O-CA 3.31Å; V242-E312 WeakPolarHBondContact O-CA 3.42Å; L243-E312 HydrophobicContact CD1-CB 4.1Å
313H90.4Very high83Confident49 Ų4964.1 Ų64.123%0.22735%0.35CS..EExtended strand (participates in β ladder)trans-123.6142.9172.2-81.664.2000110.7K241 V242 C305 L307 E311 F315K241-H313 WeakPolarHBondContact CA-O 3.31Å; V242-H313 PolarHBondContact N-O 2.94Å; V242-H313 PolarHBondContact O-N 2.92Å; C305-H313 PolarHBondContact SG-CD2 3.45Å; C305-H313 PolarHBondContact SG-NE2 3.29Å; L307-H313 HydrophobicContact CD1-CB 4.2Å; L307-H313 WeakPolarHBondContact CD1-ND1 3.5Å; E311-H313 IonicContact OE1-CE1 2.63Å; E311-H313 PolarHBondContact OE1-CE1 2.87Å; E311-H313 VanDerWaalsContact OE1-CE1 3.27Å; E311-H313 IonicContact OE1-ND1 3.69Å; H313-F315 HydrophobicContact CB-CE2 3.7Å; H313-F315 HydrophobicContact CB-CZ 3.94Å
314N90.8Very high81.3Confident94 Ų9469.9 Ų69.950%0.50338%0.378SS..EExtended strand (participates in β ladder)trans-110.3127.7-179.8-61.6-73.1000110.2L240 K241L240-N314 CarbonylContact O-C 3.5Å; L240-N314 WeakPolarHBondContact O-CA 3.36Å; K241-N314 WeakPolarHBondContact CB-OD1 3.43Å; K241-N314 WeakPolarHBondContact CE-OD1 3.16Å
315F90.4Very high79.6Confident19 Ų1970.6 Ų70.68%0.08338%0.383CS..EExtended strand (participates in β ladder)trans-118.5128.4179.3-58.3-88.7000109.1A239 L240 V242 I256 F303 H313 F317A239-F315 CarbonylContact C-O 3.6Å; A239-F315 WeakPolarHBondContact CA-O 3.28Å; L240-F315 PolarHBondContact N-O 2.99Å; L240-F315 PolarHBondContact O-N 3.43Å; V242-F315 HydrophobicContact CB-CE2 4.11Å; V242-F315 HydrophobicContact CG2-CD2 3.85Å; V242-F315 HydrophobicContact CG2-CE2 3.72Å; I256-F315 HydrophobicContact CD1-CB 4.4Å; I256-F315 HydrophobicContact CD1-CD1 3.87Å; I256-F315 HydrophobicContact CD1-CD2 3.28Å; I256-F315 HydrophobicContact CD1-CE1 3.87Å; I256-F315 HydrophobicContact CD1-CE2 3.28Å; I256-F315 HydrophobicContact CD1-CG 3.58Å; I256-F315 HydrophobicContact CD1-CZ 3.58Å; F303-F315 AromaticContact CE1-CE1 3.93Å; F303-F315 HydrophobicContact CE1-CE1 3.93Å; F303-F315 HydrophobicContact CE1-CZ 4.42Å; F303-F315 HydrophobicContact CZ-CD1 4.49Å; F303-F315 HydrophobicContact CZ-CE1 4.08Å; H313-F315 HydrophobicContact CB-CE2 3.7Å; H313-F315 HydrophobicContact CB-CZ 3.94Å; F315-F317 HydrophobicContact CB-CD2 4.48Å; F315-F317 HydrophobicContact CB-CE2 3.69Å; F315-F317 HydrophobicContact CB-CZ 4.42Å
316L91.4Very high77.9Confident62 Ų6273.1 Ų73.133%0.32540%0.399SS..EExtended strand (participates in β ladder)trans-105.6131.3-178.1-169.663.7000110.3F230 L237 A239 L296F230-L316 HydrophobicContact CE1-CD1 4.27Å; F230-L316 HydrophobicContact CZ-CD1 3.87Å; L237-L316 HydrophobicContact CB-CD1 4.27Å; A239-L316 HydrophobicContact CB-CD1 4.09Å; L296-L316 HydrophobicContact CB-CB 4.5Å; L296-L316 HydrophobicContact CD1-CD2 3.65Å; L296-L316 HydrophobicContact CD1-CG 3.9Å; L296-L316 PolarHBondContact N-O 3.2Å
317F90.6Very high75.7Confident3 Ų376.7 Ų76.71%0.01342%0.422CS..EExtended strand (participates in β ladder)trans-121141.1178.2-65.4-100.1000109.6L237 T238 L240 I256 I258 C294 R295 F315L237-F317 CarbonylContact C-O 3.57Å; L237-F317 WeakPolarHBondContact CA-O 3.48Å; T238-F317 PolarHBondContact N-O 2.79Å; T238-F317 PolarHBondContact O-N 2.84Å; L240-F317 HydrophobicContact CB-CE2 4.33Å; L240-F317 HydrophobicContact CD1-CD2 4.21Å; L240-F317 HydrophobicContact CD1-CE2 3.75Å; L240-F317 HydrophobicContact CD1-CZ 4.39Å; L240-F317 HydrophobicContact CG-CD2 4.22Å; L240-F317 HydrophobicContact CG-CE2 4.11Å; I256-F317 HydrophobicContact CB-CZ 4.07Å; I256-F317 HydrophobicContact CG2-CE2 4.14Å; I256-F317 HydrophobicContact CG2-CZ 3.69Å; I256-F317 WeakPolarHBondContact O-CE1 3.3Å; I256-F317 WeakPolarHBondContact O-CZ 3.4Å; I258-F317 HydrophobicContact CD1-CB 3.76Å; I258-F317 HydrophobicContact CD1-CD1 3.99Å; I258-F317 HydrophobicContact CD1-CD2 3.66Å; I258-F317 HydrophobicContact CD1-CE2 4.25Å; I258-F317 HydrophobicContact CD1-CG 3.52Å; I258-F317 HydrophobicContact CG1-CD1 4.13Å; I258-F317 HydrophobicContact CG1-CD2 4.32Å; I258-F317 HydrophobicContact CG1-CE1 4.3Å; I258-F317 HydrophobicContact CG1-CG 4.15Å; I258-F317 HydrophobicContact CG1-CZ 4.5Å; C294-F317 CarbonylContact O-C 3.58Å; C294-F317 WeakPolarHBondContact O-CA 3.48Å; R295-F317 HydrophobicContact CB-CD1 3.94Å; R295-F317 HydrophobicContact CB-CE1 3.67Å; R295-F317 HydrophobicContact CB-CZ 4.22Å; R295-F317 HydrophobicContact CG-CD1 4.49Å; R295-F317 HydrophobicContact CG-CE1 4.06Å; R295-F317 HydrophobicContact CG-CZ 4.11Å; F315-F317 HydrophobicContact CB-CD2 4.48Å; F315-F317 HydrophobicContact CB-CE2 3.69Å; F315-F317 HydrophobicContact CB-CZ 4.42Å
318Q89.2Confident73.8Confident39 Ų3979.8 Ų79.818%0.18245%0.454CS..EExtended strand (participates in β ladder)trans-113.6129.6172.8-176.7-174.4-8.600109.4L237 C294 L296 R320L237-Q318 HydrophobicContact CD2-CB 3.73Å; L237-Q318 HydrophobicContact CD2-CG 3.87Å; C294-Q318 PolarHBondContact N-O 3.01Å; C294-Q318 PolarHBondContact O-N 2.83Å; L296-Q318 HydrophobicContact CD1-CB 4.29Å; L296-Q318 HydrophobicContact CD2-CB 4.07Å; L296-Q318 HydrophobicContact CG-CB 4.17Å; Q318-R320 PolarHBondContact O-N 3.33Å
319L86.2Confident72Confident15 Ų1577.8 Ų77.88%0.07945%0.449CS..EExtended strand (participates in β ladder)trans-73.1115.6167.318068.3000109.3H236 V288 S292 F293 L365H236-L319 HydrophobicContact CB-CB 4.02Å; H236-L319 HydrophobicContact CB-CD2 4.19Å; H236-L319 PolarHBondContact O-N 2.87Å; V288-L319 HydrophobicContact CG1-CD1 3.94Å; V288-L319 HydrophobicContact CG2-CD1 4.41Å; S292-L319 CarbonylContact O-C 3.58Å; S292-L319 WeakPolarHBondContact O-CA 3.49Å; F293-L319 HydrophobicContact CD1-CB 4.34Å; F293-L319 HydrophobicContact CD1-CD1 4.36Å; F293-L319 HydrophobicContact CD2-CD1 3.99Å; F293-L319 HydrophobicContact CE1-CB 4.05Å; F293-L319 HydrophobicContact CE1-CD1 4.05Å; F293-L319 HydrophobicContact CE2-CD1 3.63Å; F293-L319 HydrophobicContact CG-CD1 4.34Å; F293-L319 HydrophobicContact CZ-CB 4.44Å; F293-L319 HydrophobicContact CZ-CD1 3.66Å; F293-L319 HydrophobicContact CZ-CG 4.45Å; L319-L365 HydrophobicContact CD2-CD1 4.06Å; L319-L365 HydrophobicContact CD2-CD2 3.54Å; L319-L365 HydrophobicContact CD2-CG 4.42Å
320R78.9Confident70.1Confident152 Ų15283.9 Ų83.957%0.57447%0.466SS*.  trans-93.694.5166.5-60.7-170.2-177.6172.2-1.6107.5S292 C294 Q318S292-R320 VanDerWaalsContact CB-O 3.28Å; S292-R320 WeakPolarHBondContact CB-O 3.3Å; S292-R320 PolarHBondContact O-N 3.37Å; S292-R320 PolarHBondContact OG-O 3.27Å; C294-R320 HydrophobicContact CB-CG 4.31Å; C294-R320 WeakPolarHBondContact SG-CD 3.24Å; Q318-R320 PolarHBondContact O-N 3.33Å
321G66Low68.6Low42 Ų4284.9 Ų84.943%0.43347%0.467SS..  trans-97.4155.1171.300000110.8E323G321-E323 PolarHBondContact O-N 3.15Å
322G53.9Low67.2Low52 Ų5283.7 Ų83.754%0.53647%0.473SS..  trans-60.2127.1168.100000109.6Q324G322-Q324 PolarHBondContact O-N 3.49Å
323E44.6Very low66.3Low201 Ų20180.3 Ų80.394%0.93946%0.458SS*.SBendtrans-66-7.4-174.1-157.6171.9-168.700113.2G321G321-E323 PolarHBondContact O-N 3.15Å
324Q43Very low65.7Low171 Ų17182.5 Ų82.580%0.79947%0.468SS*.SBendtrans-121.3119.4-171.3-157.2167.613.200111.6G322G322-Q324 PolarHBondContact O-N 3.49Å
325P48.5Very low65Low78 Ų7878.2 Ų78.251%0.50645%0.445SS..  trans-69.8140.5178.227.1-32.2000110.5
326P49.6Very low64.7Low71 Ų7179.4 Ų79.446%0.46146%0.455SS..  trans-61.8140.2169.123.1-30.2000110.2G328P326-G328 PolarHBondContact O-N 2.68Å; P326-G328 VanDerWaalsContact O-N 3.12Å
327P42.4Very low64.5Low139 Ų13976.5 Ų76.590%0.90344%0.44SS*.THydrogen-bonded Turntrans-63.6115.7-177.824.5-32000110.3
328G49.4Very low64.4Low67 Ų6777 Ų7769%0.69144%0.442SS*.THydrogen-bonded Turntrans113.7-3.6170.200000116.8P326 K330P326-G328 PolarHBondContact O-N 2.68Å; P326-G328 VanDerWaalsContact O-N 3.12Å; G328-K330 PolarHBondContact O-N 2.81Å
329A50.4Low64.5Low40 Ų4075.1 Ų75.133%0.33143%0.434SS..  trans-72102.2175.200000110.6
330K49.5Very low64.7Low179 Ų17974.7 Ų74.778%0.77843%0.432SS*.  trans-86.1126.3174.5-65.7-179.2179.9178.40107.5G328G328-K330 PolarHBondContact O-N 2.81Å
331E54.8Low65.3Low154 Ų15467.5 Ų67.572%0.7241%0.405SS*.SBendtrans80.3147.1173.8-62.7156.9-168.300115
332G61.7Low66.5Low43 Ų4367.3 Ų67.344%0.44339%0.392SS..PPolyproline II helixtrans-59.4155-17000000113.2L365G332-L365 VanDerWaalsContact CA-O 3.28Å; G332-L365 WeakPolarHBondContact CA-O 3.38Å
333L71.6Confident68.3Low16 Ų1665 Ų658%0.08437%0.367CS..EExtended strand (participates in β ladder)trans-96.1116.5-177.8-176.569.9000109.8Q284 E287 V288 V335 L365Q284-L333 HydrophobicContact CB-CD1 4.01Å; E287-L333 HydrophobicContact CB-CD2 4.34Å; E287-L333 WeakPolarHBondContact OE2-CD2 3.3Å; V288-L333 HydrophobicContact CG2-CD2 4.33Å; L333-V335 HydrophobicContact CD1-CG2 4.48Å; L333-V335 HydrophobicContact CD2-CG2 3.62Å; L333-V335 HydrophobicContact CG-CG2 3.63Å; L333-L365 HydrophobicContact CB-CB 4.3Å; L333-L365 HydrophobicContact CD2-CD1 4.32Å; L333-L365 PolarHBondContact N-O 3.29Å; L333-L365 VanDerWaalsContact N-O 3.11Å; L333-L365 PolarHBondContact O-N 2.93Å
334E76.4Confident70.5Confident95 Ų9556 Ų5644%0.44433%0.327SS..EExtended strand (participates in β ladder)trans-95116.8169.3-176161.5-154.600109.7S362 V363 R364E334-S362 WeakPolarHBondContact OE1-CB 2.96Å; E334-V363 CarbonylContact C-O 3.31Å; E334-V363 WeakPolarHBondContact CA-O 3.43Å; E334-R364 HydrophobicContact CB-CG 4.2Å; E334-R364 VanDerWaalsContact CD-NE 3.27Å; E334-R364 HydrophobicContact CG-CG 3.94Å; E334-R364 IonicContact OE1-CZ 3.61Å; E334-R364 IonicContact OE1-NE 2.99Å; E334-R364 PolarHBondContact OE1-NE 3.13Å; E334-R364 IonicContact OE1-NH2 3.31Å; E334-R364 PolarHBondContact OE1-NH2 2.96Å; E334-R364 IonicContact OE2-CZ 3.49Å; E334-R364 IonicContact OE2-NE 3.26Å; E334-R364 PolarHBondContact OE2-NE 2.67Å; E334-R364 IonicContact OE2-NH2 2.99Å; E334-R364 PolarHBondContact OE2-NH2 3.14Å
335V77.6Confident72.5Confident5 Ų548 Ų483%0.0329%0.29CS..EExtended strand (participates in β ladder)trans-113.5115.9-178.7-173.30000109.3P260 V288 L333 L337 S362 V363P260-V335 HydrophobicContact CB-CG1 3.72Å; V288-V335 HydrophobicContact CB-CG2 4.49Å; V288-V335 HydrophobicContact CG2-CG2 4.16Å; L333-V335 HydrophobicContact CD1-CG2 4.48Å; L333-V335 HydrophobicContact CD2-CG2 3.62Å; L333-V335 HydrophobicContact CG-CG2 3.63Å; V335-L337 HydrophobicContact CG1-CD2 4.15Å; V335-S362 CarbonylContact O-C 3.54Å; V335-S362 VanDerWaalsContact O-CA 3.3Å; V335-S362 WeakPolarHBondContact O-CA 3.31Å; V335-V363 HydrophobicContact CB-CG1 3.86Å; V335-V363 PolarHBondContact N-O 3.17Å; V335-V363 PolarHBondContact O-N 2.86Å
336P83.4Confident73.6Confident43 Ų4349 Ų4928%0.27930%0.296SS..EExtended strand (participates in β ladder)trans-69.6144.5172.319.1-14.5000110.1N261N261-P336 HydrophobicContact CB-CB 4.22Å; N261-P336 HydrophobicContact CB-CG 4.27Å; N261-P336 PolarHBondContact N-O 2.87Å; N261-P336 VanDerWaalsContact O-CG 3.29Å; N261-P336 WeakPolarHBondContact O-CG 3.28Å
337L86.1Confident74.6Confident2 Ų250.8 Ų50.81%0.0130%0.297CS..EExtended strand (participates in β ladder)trans-124.6151.4-172.6-61-179000111.9I258 L259 P260 F293 V335 L360 V363I258-L337 HydrophobicContact CG2-CB 4.43Å; I258-L337 HydrophobicContact CG2-CD1 4.22Å; I258-L337 HydrophobicContact CG2-CD2 4.45Å; L259-L337 WeakPolarHBondContact O-CA 3.48Å; P260-L337 HydrophobicContact CB-CD2 4.44Å; F293-L337 HydrophobicContact CD2-CD2 4.47Å; F293-L337 HydrophobicContact CE1-CD1 3.99Å; F293-L337 HydrophobicContact CE2-CD1 4.3Å; F293-L337 HydrophobicContact CE2-CD2 3.45Å; F293-L337 VanDerWaalsContact CE2-CD2 3.45Å; F293-L337 HydrophobicContact CZ-CD1 3.57Å; F293-L337 HydrophobicContact CZ-CD2 3.53Å; F293-L337 HydrophobicContact CZ-CG 4.22Å; V335-L337 HydrophobicContact CG1-CD2 4.15Å; L337-L360 HydrophobicContact CB-CB 3.75Å; L337-L360 HydrophobicContact CB-CD1 3.96Å; L337-L360 HydrophobicContact CB-CG 4.41Å; L337-L360 WeakPolarHBondContact O-CB 3.26Å; L337-L360 PolarHBondContact O-N 2.88Å; L337-V363 HydrophobicContact CD1-CB 4.01Å; L337-V363 HydrophobicContact CD1-CG1 3.96Å; L337-V363 HydrophobicContact CD2-CG1 4.17Å; L337-V363 HydrophobicContact CG-CG1 4.15Å
338I89.5Confident75.9Confident13 Ų1345 Ų457%0.06726%0.258CS..EExtended strand (participates in β ladder)trans-126.7136.6174.8-63.6155.4000108.4I258 L259 N261 Y266 V340 H357 Y358I258-I338 CarbonylContact C-O 3.56Å; I258-I338 WeakPolarHBondContact CA-O 3.36Å; L259-I338 PolarHBondContact N-O 2.8Å; L259-I338 PolarHBondContact O-N 3Å; N261-I338 HydrophobicContact CB-CD1 3.57Å; N261-I338 HydrophobicContact CB-CG1 4.05Å; Y266-I338 HydrophobicContact CD2-CD1 3.46Å; Y266-I338 VanDerWaalsContact CD2-CD1 3.46Å; Y266-I338 HydrophobicContact CD2-CG1 4.36Å; Y266-I338 HydrophobicContact CE2-CD1 3.85Å; I338-V340 HydrophobicContact CG2-CG2 4.44Å; I338-H357 HydrophobicContact CG2-CB 4.36Å; I338-Y358 CarbonylContact C-O 3.57Å; I338-Y358 VanDerWaalsContact CA-O 3.31Å; I338-Y358 WeakPolarHBondContact CA-O 3.49Å
339A91.1Very high76.4Confident0 Ų043.3 Ų43.30%024%0.235CC..EExtended strand (participates in β ladder)trans-101.4134.9166.800000110.1L225 L240 R257 H357 Y358 L360L225-A339 HydrophobicContact CD2-CB 3.42Å; L225-A339 VanDerWaalsContact CD2-CB 3.42Å; L240-A339 HydrophobicContact CD1-CB 4.13Å; R257-A339 CarbonylContact O-C 3.55Å; R257-A339 VanDerWaalsContact O-CA 3.3Å; R257-A339 WeakPolarHBondContact O-CA 3.32Å; A339-H357 CarbonylContact O-C 3.56Å; A339-H357 WeakPolarHBondContact O-CA 3.4Å; A339-Y358 PolarHBondContact N-O 2.93Å; A339-Y358 PolarHBondContact O-N 2.86Å; A339-L360 HydrophobicContact CB-CD1 3.84Å; A339-L360 HydrophobicContact CB-CD2 3.79Å; A339-L360 HydrophobicContact CB-CG 3.87Å
340V90.8Very high77.1Confident6 Ų644.5 Ų44.54%0.03623%0.233CC..EExtended strand (participates in β ladder)trans-110.7118.9171.6-172.30000107.6I256 R257 L259 I338 Y355I256-V340 WeakPolarHBondContact CA-O 3.18Å; R257-V340 PolarHBondContact N-O 3.2Å; R257-V340 PolarHBondContact O-N 2.75Å; L259-V340 HydrophobicContact CD1-CG2 3.89Å; I338-V340 HydrophobicContact CG2-CG2 4.44Å; V340-Y355 HydrophobicContact CG1-CD1 4.29Å
341V91.6Very high78Confident1 Ų136.3 Ų36.31%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-111.3119.1176.5-177.50000108.1L225 I253 I256 Y355 T356 Y358L225-V341 HydrophobicContact CD1-CG2 4.38Å; I253-V341 HydrophobicContact CD1-CG1 4.19Å; I253-V341 HydrophobicContact CG2-CG1 4.32Å; I256-V341 HydrophobicContact CG1-CG1 4.39Å; I256-V341 HydrophobicContact CG2-CG2 4.45Å; V341-Y355 WeakPolarHBondContact O-CA 3.25Å; V341-T356 PolarHBondContact N-O 2.82Å; V341-T356 PolarHBondContact O-N 2.83Å; V341-Y358 HydrophobicContact CB-CE2 3.96Å; V341-Y358 HydrophobicContact CG2-CD2 3.93Å; V341-Y358 HydrophobicContact CG2-CE2 3.64Å
342Q91.7Very high78.9Confident37 Ų3737 Ų3717%0.17320%0.201CC..EExtended strand (participates in β ladder)trans-95.2122.7170.7-173.5-174.3-4.800108.8W254 D255 S353 I354 Y355W254-Q342 HydrophobicContact CB-CB 4.19Å; W254-Q342 HydrophobicContact CB-CG 3.86Å; W254-Q342 HydrophobicContact CG-CG 4.48Å; W254-Q342 PolarHBondContact N-O 2.81Å; D255-Q342 HydrophobicContact CB-CB 4.19Å; D255-Q342 PolarHBondContact N-O 3.28Å; D255-Q342 PolarHBondContact O-N 3.28Å; Q342-S353 PolarHBondContact NE2-OG 3.22Å; Q342-I354 WeakPolarHBondContact CA-O 3.37Å; Q342-Y355 HydrophobicContact CB-CD1 3.9Å; Q342-Y355 HydrophobicContact CB-CE1 3.76Å; Q342-Y355 HydrophobicContact CG-CD1 3.96Å; Q342-Y355 HydrophobicContact CG-CE1 3.5Å; Q342-Y355 PolarHBondContact NE2-OH 3.21Å
343W91.3Very high80Confident3 Ų335.4 Ų35.41%0.01118%0.183CC..EExtended strand (participates in β ladder)trans-144.3159.4-17663-79.7000111.8Y39 P222 P223 I251 S252 I253 S353 I354 T356Y39-W343 AromaticContact CD1-CH2 3.6Å; Y39-W343 HydrophobicContact CD1-CH2 3.6Å; Y39-W343 AromaticContact CD1-CZ3 3.99Å; Y39-W343 HydrophobicContact CD1-CZ3 3.99Å; Y39-W343 HydrophobicContact CE1-CH2 4.27Å; Y39-W343 HydrophobicContact CE1-CZ3 4.27Å; Y39-W343 HydrophobicContact CG-CH2 4.06Å; Y39-W343 HydrophobicContact CG-CZ3 4.46Å; P222-W343 HydrophobicContact CB-CZ2 3.85Å; P223-W343 VanDerWaalsContact CD-CE2 3.47Å; P223-W343 HydrophobicContact CG-CD2 3.89Å; P223-W343 HydrophobicContact CG-CE3 4.23Å; P223-W343 HydrophobicContact CG-CG 4.03Å; I251-W343 HydrophobicContact CB-CE3 4.47Å; I251-W343 HydrophobicContact CG2-CE3 4.32Å; I251-W343 HydrophobicContact CG2-CZ3 4.42Å; S252-W343 CarbonylContact O-C 3.55Å; S252-W343 WeakPolarHBondContact O-CA 3.26Å; I253-W343 HydrophobicContact CD1-CB 3.69Å; W343-S353 CarbonylContact O-C 3.59Å; W343-S353 WeakPolarHBondContact O-CA 3.36Å; W343-I354 VanDerWaalsContact CD1-O 3.32Å; W343-I354 HydrophobicContact CD2-CB 4.38Å; W343-I354 HydrophobicContact CH2-CD1 3.85Å; W343-I354 HydrophobicContact CZ2-CB 4.05Å; W343-I354 HydrophobicContact CZ2-CD1 3.99Å; W343-I354 HydrophobicContact CZ2-CG2 3.81Å; W343-I354 HydrophobicContact CZ3-CD1 4.34Å; W343-I354 PolarHBondContact N-O 3.44Å; W343-I354 PolarHBondContact O-N 2.94Å; W343-T356 PolarHBondContact NE1-OG1 2.89Å
344S89.5Confident80.9Confident12 Ų1234.7 Ų34.78%0.08418%0.179CC..EExtended strand (participates in β ladder)trans-142.9166.6174.364.90000110.2I251 S252 W254 Q352I251-S344 CarbonylContact C-O 3.58Å; I251-S344 WeakPolarHBondContact CA-O 3.34Å; S252-S344 PolarHBondContact N-O 2.71Å; S252-S344 PolarHBondContact O-N 2.78Å; W254-S344 PolarHBondContact NE1-OG 2.97Å; S344-Q352 WeakPolarHBondContact CB-O 3.48Å
345T85Confident81.5Confident5 Ų532.4 Ų32.43%0.03117%0.167CC..  trans-122.7145.8162.9173.10000109.6Y39 E250 K347 L348Y39-T345 HydrophobicContact CD2-CG2 3.99Å; Y39-T345 HydrophobicContact CE2-CG2 3.47Å; Y39-T345 VanDerWaalsContact CE2-CG2 3.47Å; E250-T345 PolarHBondContact O-OG1 3.48Å; T345-K347 PolarHBondContact O-N 3.18Å; T345-L348 HydrophobicContact CG2-CD1 3.97Å; T345-L348 HydrophobicContact CG2-CD2 4.01Å; T345-L348 HydrophobicContact CG2-CG 3.5Å; T345-L348 VanDerWaalsContact CG2-CG 3.5Å; T345-L348 PolarHBondContact O-N 2.85Å
346P72.6Confident82Confident98 Ų9832.2 Ų32.264%0.63617%0.165SC*.THydrogen-bonded Turntrans-55.4-22-179.7-25.633.8000114E250E250-P346 WeakPolarHBondContact O-CD 3.4Å
347K69.7Low82.4Confident108 Ų10830.9 Ų30.947%0.4716%0.156SC..THydrogen-bonded Turntrans-89.94.8-179.3-56.7-166-163.4169.10114.4R35 E249 T345 P349R35-K347 PolarHBondContact NH1-O 2.81Å; E249-K347 VanDerWaalsContact OE1-CD 3.3Å; E249-K347 WeakPolarHBondContact OE1-CD 3.49Å; E249-K347 VanDerWaalsContact OE1-CE 3.3Å; E249-K347 WeakPolarHBondContact OE1-CE 3.26Å; E249-K347 IonicContact OE1-NZ 2.95Å; E249-K347 PolarHBondContact OE1-NZ 2.9Å; E249-K347 WeakPolarHBondContact OE2-CD 3.42Å; E249-K347 IonicContact OE2-NZ 3.99Å; T345-K347 PolarHBondContact O-N 3.18Å; K347-P349 WeakPolarHBondContact O-CD 3.06Å
348L69.7Low82.6Confident17 Ų1731 Ų319%0.08916%0.156CC..  trans-80.2101.4169.6-64.3173.1000109Y39 E42 T345 F350 T351 I354Y39-L348 HydrophobicContact CD2-CD2 3.91Å; E42-L348 HydrophobicContact CB-CD2 4.38Å; E42-L348 HydrophobicContact CG-CD2 3.79Å; E42-L348 WeakPolarHBondContact OE1-CD2 3.3Å; E42-L348 WeakPolarHBondContact OE2-CD2 3.39Å; T345-L348 HydrophobicContact CG2-CD1 3.97Å; T345-L348 HydrophobicContact CG2-CD2 4.01Å; T345-L348 HydrophobicContact CG2-CG 3.5Å; T345-L348 VanDerWaalsContact CG2-CG 3.5Å; T345-L348 PolarHBondContact O-N 2.85Å; L348-F350 VanDerWaalsContact C-N 3.26Å; L348-F350 PolarHBondContact O-N 2.91Å; L348-T351 WeakPolarHBondContact CB-O 3.39Å; L348-I354 HydrophobicContact CD1-CD1 3.8Å; L348-I354 HydrophobicContact CD1-CG1 4.18Å
349P61.1Low82.6Confident32 Ų3236.5 Ų36.521%0.20818%0.176CC..SBendtrans-77.3-20-173.1-0.118.1000111.9P15 K347P15-P349 HydrophobicContact CB-CB 4.35Å; P15-P349 HydrophobicContact CG-CB 3.74Å; K347-P349 WeakPolarHBondContact O-CD 3.06Å
350F64.8Low82.6Confident65 Ų6536.8 Ų36.829%0.28518%0.177SC..SBendtrans-126.4-19.9-167.5-53.1-70.9000113.5P15 R45 L348P15-F350 HydrophobicContact CB-CE1 4.46Å; R45-F350 HydrophobicContact CB-CD1 4.35Å; R45-F350 HydrophobicContact CB-CD2 3.97Å; R45-F350 HydrophobicContact CB-CE1 4.1Å; R45-F350 HydrophobicContact CB-CE2 3.69Å; R45-F350 HydrophobicContact CB-CG 4.29Å; R45-F350 HydrophobicContact CB-CZ 3.76Å; R45-F350 HydrophobicContact CG-CZ 4.47Å; L348-F350 VanDerWaalsContact C-N 3.26Å; L348-F350 PolarHBondContact O-N 2.91Å
351T68.2Low82.4Confident7 Ų738 Ų384%0.04319%0.185CC..  trans-110.6107.4-179-57.90000108.7T43 L348 S353 I354T43-T351 PolarHBondContact N-OG1 3.01Å; L348-T351 WeakPolarHBondContact CB-O 3.39Å; T351-S353 VanDerWaalsContact C-N 3.31Å; T351-S353 WeakPolarHBondContact CG2-O 3.21Å; T351-S353 PolarHBondContact O-N 2.94Å; T351-I354 HydrophobicContact CG2-CG1 3.83Å
352Q74.2Confident82Confident170 Ų17039.9 Ų39.979%0.79420%0.198SC*.SBendtrans-68.2-29.9-176.3-67.4-177-2.100112.9S344S344-Q352 WeakPolarHBondContact CB-O 3.48Å
353S85.1Confident81.4Confident9 Ų938.4 Ų38.46%0.06319%0.192CC..  trans-157.1161.7175.154.20000110.9P127 Q342 W343 T351P127-S353 WeakPolarHBondContact CD-O 3.46Å; Q342-S353 PolarHBondContact NE2-OG 3.22Å; W343-S353 CarbonylContact O-C 3.59Å; W343-S353 WeakPolarHBondContact O-CA 3.36Å; T351-S353 VanDerWaalsContact C-N 3.31Å; T351-S353 WeakPolarHBondContact CG2-O 3.21Å; T351-S353 PolarHBondContact O-N 2.94Å
354I88.8Confident80.7Confident0 Ų044 Ų440%021%0.213CC..EExtended strand (participates in β ladder)trans-126.4135.5175.6-61.7172.8000106.6T124 Q342 W343 L348 T351T124-I354 HydrophobicContact CG2-CG2 3.4Å; Q342-I354 WeakPolarHBondContact CA-O 3.37Å; W343-I354 VanDerWaalsContact CD1-O 3.32Å; W343-I354 HydrophobicContact CD2-CB 4.38Å; W343-I354 HydrophobicContact CH2-CD1 3.85Å; W343-I354 HydrophobicContact CZ2-CB 4.05Å; W343-I354 HydrophobicContact CZ2-CD1 3.99Å; W343-I354 HydrophobicContact CZ2-CG2 3.81Å; W343-I354 HydrophobicContact CZ3-CD1 4.34Å; W343-I354 PolarHBondContact N-O 3.44Å; W343-I354 PolarHBondContact O-N 2.94Å; L348-I354 HydrophobicContact CD1-CD1 3.8Å; L348-I354 HydrophobicContact CD1-CG1 4.18Å; T351-I354 HydrophobicContact CG2-CG1 3.83Å
355Y89.3Confident80Confident48 Ų4844 Ų4419%0.18821%0.212CC..EExtended strand (participates in β ladder)trans-104.2120.7175.5-62.2-89.6000109.2T124 H125 P127 V340 V341 Q342T124-Y355 VanDerWaalsContact CA-O 3.31Å; T124-Y355 WeakPolarHBondContact CA-O 3.38Å; H125-Y355 PolarHBondContact N-O 3.49Å; H125-Y355 PolarHBondContact O-N 3.29Å; P127-Y355 HydrophobicContact CB-CE2 4.14Å; P127-Y355 HydrophobicContact CG-CE2 4.48Å; V340-Y355 HydrophobicContact CG1-CD1 4.29Å; V341-Y355 WeakPolarHBondContact O-CA 3.25Å; Q342-Y355 HydrophobicContact CB-CD1 3.9Å; Q342-Y355 HydrophobicContact CB-CE1 3.76Å; Q342-Y355 HydrophobicContact CG-CD1 3.96Å; Q342-Y355 HydrophobicContact CG-CE1 3.5Å; Q342-Y355 PolarHBondContact NE2-OH 3.21Å
356T89.7Confident79.1Confident0 Ų049.3 Ų49.30%024%0.24CC..EExtended strand (participates in β ladder)trans-114.1127.9171.8-52.10000110.5P121 L123 T124 P222 V341 W343 Y358P121-T356 HydrophobicContact CB-CG2 4.03Å; L123-T356 WeakPolarHBondContact O-CA 3.39Å; T124-T356 WeakPolarHBondContact CG2-OG1 3.47Å; T124-T356 WeakPolarHBondContact OG1-CG2 3.19Å; P222-T356 HydrophobicContact CB-CG2 4.02Å; P222-T356 WeakPolarHBondContact CB-OG1 3.43Å; P222-T356 HydrophobicContact CG-CG2 3.95Å; V341-T356 PolarHBondContact N-O 2.82Å; V341-T356 PolarHBondContact O-N 2.83Å; W343-T356 PolarHBondContact NE1-OG1 2.89Å; T356-Y358 WeakPolarHBondContact CB-OH 3.46Å; T356-Y358 HydrophobicContact CG2-CD2 4.18Å; T356-Y358 HydrophobicContact CG2-CE1 3.91Å; T356-Y358 HydrophobicContact CG2-CE2 3.46Å; T356-Y358 VanDerWaalsContact CG2-CE2 3.46Å; T356-Y358 WeakPolarHBondContact CG2-OH 3.4Å
357H89.8Confident78.9Confident16 Ų1647.4 Ų47.47%0.07422%0.221CC..EExtended strand (participates in β ladder)trans-98.4129177.8-6369.3000109.1P121 L122 L123 H125 Y266 I338 A339P121-H357 CarbonylContact C-O 3.52Å; P121-H357 WeakPolarHBondContact CA-O 3.45Å; L122-H357 PolarHBondContact N-O 3.45Å; L123-H357 HydrophobicContact CB-CB 4.27Å; L123-H357 PolarHBondContact O-N 2.71Å; H125-H357 AromaticContact CE1-CE1 3.2Å; H125-H357 PolarHBondContact CE1-CE1 2.92Å; H125-H357 AromaticContact CE1-ND1 3.76Å; H125-H357 AromaticContact ND1-CE1 3.93Å; Y266-H357 AromaticContact CZ-CD2 3.8Å; Y266-H357 PolarHBondContact OH-CD2 2.89Å; Y266-H357 PolarHBondContact OH-NE2 2.78Å; I338-H357 HydrophobicContact CG2-CB 4.36Å; A339-H357 CarbonylContact O-C 3.56Å; A339-H357 WeakPolarHBondContact O-CA 3.4Å
358Y90.8Very high78.9Confident4 Ų444 Ų442%0.01621%0.209CC..EExtended strand (participates in β ladder)trans-119.3140-179.4-61.3-91.3000110.8S120 P121 P223 L225 I338 A339 V341 T356 L360S120-Y358 WeakPolarHBondContact O-CA 3.39Å; P121-Y358 HydrophobicContact CB-CD1 4.15Å; P121-Y358 HydrophobicContact CB-CE1 3.97Å; P223-Y358 PolarHBondContact O-OH 2.82Å; L225-Y358 HydrophobicContact CB-CD1 3.79Å; L225-Y358 HydrophobicContact CB-CD2 4.2Å; L225-Y358 HydrophobicContact CB-CE1 3.98Å; L225-Y358 HydrophobicContact CB-CE2 4.36Å; L225-Y358 HydrophobicContact CB-CG 3.92Å; L225-Y358 HydrophobicContact CD2-CD1 4.33Å; L225-Y358 HydrophobicContact CD2-CD2 3.71Å; L225-Y358 HydrophobicContact CD2-CE2 4.49Å; L225-Y358 HydrophobicContact CD2-CG 3.62Å; L225-Y358 HydrophobicContact CG-CG 4.42Å; I338-Y358 CarbonylContact C-O 3.57Å; I338-Y358 VanDerWaalsContact CA-O 3.31Å; I338-Y358 WeakPolarHBondContact CA-O 3.49Å; A339-Y358 PolarHBondContact N-O 2.93Å; A339-Y358 PolarHBondContact O-N 2.86Å; V341-Y358 HydrophobicContact CB-CE2 3.96Å; V341-Y358 HydrophobicContact CG2-CD2 3.93Å; V341-Y358 HydrophobicContact CG2-CE2 3.64Å; T356-Y358 WeakPolarHBondContact CB-OH 3.46Å; T356-Y358 HydrophobicContact CG2-CD2 4.18Å; T356-Y358 HydrophobicContact CG2-CE1 3.91Å; T356-Y358 HydrophobicContact CG2-CE2 3.46Å; T356-Y358 VanDerWaalsContact CG2-CE2 3.46Å; T356-Y358 WeakPolarHBondContact CG2-OH 3.4Å; Y358-L360 PolarHBondContact O-N 2.96Å
359R90.3Very high79Confident128 Ų12845.3 Ų45.348%0.48322%0.219SC..EExtended strand (participates in β ladder)trans-74.8120.6168.9-166.7177-179.3108.7-0109.4C119 S120 L122C119-R359 VanDerWaalsContact CB-O 3.31Å; C119-R359 WeakPolarHBondContact CB-O 3.26Å; S120-R359 PolarHBondContact O-N 3.19Å; L122-R359 HydrophobicContact CD1-CB 3.91Å; L122-R359 HydrophobicContact CD2-CB 4.11Å; L122-R359 HydrophobicContact CG-CB 4.05Å
360L90.1Very high79.8Confident7 Ų743.8 Ų43.84%0.03721%0.209CC..EExtended strand (participates in β ladder)trans-96.6158.7172.4-61.6-178.1000110.5C119 L225 C227 L240 I258 L337 A339 Y358C119-L360 HydrophobicContact CB-CD2 4.28Å; C119-L360 VanDerWaalsContact SG-CD2 3.52Å; L225-L360 HydrophobicContact CD2-CD2 3.9Å; C227-L360 HydrophobicContact CB-CD2 3.92Å; L240-L360 HydrophobicContact CD2-CD1 4.36Å; L240-L360 HydrophobicContact CD2-CD2 3.8Å; I258-L360 HydrophobicContact CD1-CD1 4.31Å; I258-L360 HydrophobicContact CG1-CD1 4.14Å; I258-L360 HydrophobicContact CG2-CD1 3.9Å; L337-L360 HydrophobicContact CB-CB 3.75Å; L337-L360 HydrophobicContact CB-CD1 3.96Å; L337-L360 HydrophobicContact CB-CG 4.41Å; L337-L360 WeakPolarHBondContact O-CB 3.26Å; L337-L360 PolarHBondContact O-N 2.88Å; A339-L360 HydrophobicContact CB-CD1 3.84Å; A339-L360 HydrophobicContact CB-CD2 3.79Å; A339-L360 HydrophobicContact CB-CG 3.87Å; Y358-L360 PolarHBondContact O-N 2.96Å
361P87.4Confident80.7Confident30 Ų3041.3 Ų41.320%0.19520%0.2CC..EExtended strand (participates in β ladder)trans-56.9141.5166.3-21.433000111.2C227 Q229C227-P361 HydrophobicContact CB-CG 4.47Å; Q229-P361 PolarHBondContact NE2-O 2.77Å
362S82.9Confident81.4Confident41 Ų4141 Ų4129%0.28720%0.198SC..EExtended strand (participates in β ladder)trans-62.5135.5173.1-54.90000110.5Q229 E334 V335Q229-S362 PolarHBondContact OE1-O 2.93Å; E334-S362 WeakPolarHBondContact OE1-CB 2.96Å; V335-S362 CarbonylContact O-C 3.54Å; V335-S362 VanDerWaalsContact O-CA 3.3Å; V335-S362 WeakPolarHBondContact O-CA 3.31Å
363V79.6Confident81.9Confident7 Ų734.5 Ų34.54%0.04217%0.17CC..EExtended strand (participates in β ladder)trans-84.4128.7171.663.40000108.7F293 E334 V335 L337 L365F293-V363 HydrophobicContact CZ-CG1 4.27Å; E334-V363 CarbonylContact C-O 3.31Å; E334-V363 WeakPolarHBondContact CA-O 3.43Å; V335-V363 HydrophobicContact CB-CG1 3.86Å; V335-V363 PolarHBondContact N-O 3.17Å; V335-V363 PolarHBondContact O-N 2.86Å; L337-V363 HydrophobicContact CD1-CB 4.01Å; L337-V363 HydrophobicContact CD1-CG1 3.96Å; L337-V363 HydrophobicContact CD2-CG1 4.17Å; L337-V363 HydrophobicContact CG-CG1 4.15Å; V363-L365 HydrophobicContact CG2-CD2 3.89Å
364R75.5Confident81.8Confident119 Ų11934.8 Ų34.845%0.44917%0.173SC..EExtended strand (participates in β ladder)trans-98.8114.4171.8-67.1-177.7175.6-163.2-11.3108.7E334 D366E334-R364 HydrophobicContact CB-CG 4.2Å; E334-R364 VanDerWaalsContact CD-NE 3.27Å; E334-R364 HydrophobicContact CG-CG 3.94Å; E334-R364 IonicContact OE1-CZ 3.61Å; E334-R364 IonicContact OE1-NE 2.99Å; E334-R364 PolarHBondContact OE1-NE 3.13Å; E334-R364 IonicContact OE1-NH2 3.31Å; E334-R364 PolarHBondContact OE1-NH2 2.96Å; E334-R364 IonicContact OE2-CZ 3.49Å; E334-R364 IonicContact OE2-NE 3.26Å; E334-R364 PolarHBondContact OE2-NE 2.67Å; E334-R364 IonicContact OE2-NH2 2.99Å; E334-R364 PolarHBondContact OE2-NH2 3.14Å; R364-D366 PolarHBondContact O-N 2.79Å
365L74.4Confident81.6Confident13 Ų1338 Ų387%0.06820%0.195CC..EExtended strand (participates in β ladder)trans-90.785.1171.8-55.6-177.5000107.3V288 L319 G332 L333 V363 R367V288-L365 HydrophobicContact CG2-CD1 3.76Å; L319-L365 HydrophobicContact CD2-CD1 4.06Å; L319-L365 HydrophobicContact CD2-CD2 3.54Å; L319-L365 HydrophobicContact CD2-CG 4.42Å; G332-L365 VanDerWaalsContact CA-O 3.28Å; G332-L365 WeakPolarHBondContact CA-O 3.38Å; L333-L365 HydrophobicContact CB-CB 4.3Å; L333-L365 HydrophobicContact CD2-CD1 4.32Å; L333-L365 PolarHBondContact N-O 3.29Å; L333-L365 VanDerWaalsContact N-O 3.11Å; L333-L365 PolarHBondContact O-N 2.93Å; V363-L365 HydrophobicContact CG2-CD2 3.89Å; L365-R367 PolarHBondContact O-N 3Å
366D67.1Low81.3Confident116 Ų11637.3 Ų37.362%0.6220%0.197SC*.  trans-63.5127.5171.5-62.7-33.5000108.1R364 P368R364-D366 PolarHBondContact O-N 2.79Å; D366-P368 WeakPolarHBondContact O-CD 3.46Å
367R67.9Low80.9Confident59 Ų5945.8 Ų45.822%0.22324%0.237CC..  trans-104.978.2174.6-66.8-171-174.2167.55.9109.2E287 L365 C369E287-R367 IonicContact OE1-CZ 3.63Å; E287-R367 IonicContact OE1-NE 3.59Å; E287-R367 IonicContact OE1-NH2 3.15Å; E287-R367 PolarHBondContact OE1-NH2 3.19Å; E287-R367 VanDerWaalsContact OE1-NH2 3.15Å; E287-R367 IonicContact OE2-CZ 3.59Å; E287-R367 IonicContact OE2-NE 3.77Å; E287-R367 IonicContact OE2-NH2 2.65Å; E287-R367 PolarHBondContact OE2-NH2 3.47Å; L365-R367 PolarHBondContact O-N 3Å; R367-C369 PolarHBondContact O-N 2.68Å; R367-C369 VanDerWaalsContact O-N 3.13Å
368P69.3Low80.4Confident35 Ų3548 Ų4823%0.22725%0.254CS..  trans-59.4122.7175.526-34.4000108.6D366 F370 V371 K565 A567D366-P368 WeakPolarHBondContact O-CD 3.46Å; P368-F370 PolarHBondContact O-N 2.81Å; P368-V371 HydrophobicContact CB-CG2 3.94Å; P368-V371 HydrophobicContact CG-CG2 3.63Å; P368-V371 WeakPolarHBondContact O-CG2 3.29Å; P368-K565 CarbonylContact C-O 3.55Å; P368-K565 WeakPolarHBondContact CA-O 3.46Å; P368-A567 HydrophobicContact CB-CB 3.44Å; P368-A567 VanDerWaalsContact CB-CB 3.44Å; P368-A567 HydrophobicContact CG-CB 3.48Å; P368-A567 VanDerWaalsContact CG-CB 3.48Å
369C72.1Confident80Confident45 Ų4552 Ų5230%0.30428%0.281SS..SBendtrans-79-8.2178-57.40000111.5R367 N395 L396 K565R367-C369 PolarHBondContact O-N 2.68Å; R367-C369 VanDerWaalsContact O-N 3.13Å; C369-N395 HydrophobicContact CB-CB 4.47Å; C369-N395 CarbonylContact O-C 3.57Å; C369-N395 VanDerWaalsContact O-C 3.31Å; C369-N395 VanDerWaalsContact O-CA 3.24Å; C369-N395 WeakPolarHBondContact O-CA 3.44Å; C369-N395 WeakPolarHBondContact O-CB 3.34Å; C369-N395 PolarHBondContact O-N 3.03Å; C369-L396 HydrophobicContact CB-CB 3.86Å; C369-L396 HydrophobicContact CB-CD1 3.93Å; C369-L396 HydrophobicContact CB-CG 4.49Å; C369-L396 PolarHBondContact O-N 3.2Å; C369-L396 VanDerWaalsContact O-N 3.08Å; C369-K565 PolarHBondContact N-O 2.93Å
370F78.9Confident79.9Confident0 Ų046.5 Ų46.50%026%0.261CS..EExtended strand (participates in β ladder)trans-134.5115.2173.9-171.1-87.1000109.6P368 L392 L393 N394 L396 F399 L472 L474 F518 K565 I566 A567P368-F370 PolarHBondContact O-N 2.81Å; F370-L392 HydrophobicContact CD1-CD1 4.06Å; F370-L392 HydrophobicContact CE1-CD1 3.24Å; F370-L392 HydrophobicContact CE1-CD2 4.43Å; F370-L392 HydrophobicContact CE1-CG 4.17Å; F370-L392 HydrophobicContact CE2-CD1 4.07Å; F370-L392 HydrophobicContact CE2-CD2 4.04Å; F370-L392 HydrophobicContact CE2-CG 4.12Å; F370-L392 HydrophobicContact CZ-CD1 3.27Å; F370-L392 HydrophobicContact CZ-CD2 3.58Å; F370-L392 HydrophobicContact CZ-CG 3.7Å; F370-L393 CarbonylContact C-O 3.59Å; F370-L393 VanDerWaalsContact CA-O 3.31Å; F370-L393 WeakPolarHBondContact CA-O 3.32Å; F370-N394 HydrophobicContact CD2-CB 3.65Å; F370-N394 WeakPolarHBondContact CD2-OD1 3.02Å; F370-N394 HydrophobicContact CE2-CB 3.73Å; F370-L396 HydrophobicContact CB-CB 4.14Å; F370-L396 HydrophobicContact CB-CD2 4.37Å; F370-F399 HydrophobicContact CD2-CD2 4.18Å; F370-F399 AromaticContact CD2-CE2 3.46Å; F370-F399 HydrophobicContact CD2-CE2 3.46Å; F370-F399 VanDerWaalsContact CD2-CE2 3.46Å; F370-F399 HydrophobicContact CD2-CZ 4.23Å; F370-F399 AromaticContact CE2-CD2 3.69Å; F370-F399 HydrophobicContact CE2-CD2 3.69Å; F370-F399 AromaticContact CE2-CE2 3.41Å; F370-F399 HydrophobicContact CE2-CE2 3.41Å; F370-F399 VanDerWaalsContact CE2-CE2 3.41Å; F370-F399 HydrophobicContact CE2-CZ 4.29Å; F370-F399 HydrophobicContact CG-CE2 4.42Å; F370-F399 HydrophobicContact CZ-CE2 4.33Å; F370-L472 HydrophobicContact CE1-CD2 3.37Å; F370-L472 HydrophobicContact CZ-CD2 3.67Å; F370-L474 HydrophobicContact CE1-CD1 4.16Å; F370-L474 HydrophobicContact CE1-CD2 4.3Å; F370-L474 HydrophobicContact CE2-CD2 4.41Å; F370-L474 HydrophobicContact CZ-CD1 4.15Å; F370-L474 HydrophobicContact CZ-CD2 3.7Å; F370-F518 HydrophobicContact CE1-CZ 4.12Å; F370-K565 PolarHBondContact N-O 3.4Å; F370-I566 HydrophobicContact CB-CG1 4.19Å; F370-I566 HydrophobicContact CD1-CG2 4.04Å; F370-I566 CarbonylContact O-C 3.6Å; F370-I566 WeakPolarHBondContact O-CA 3.49Å; F370-A567 PolarHBondContact O-N 3.07Å
371V82.3Confident79.7Confident13 Ų1352.2 Ų52.28%0.07928%0.282CS..EExtended strand (participates in β ladder)trans-125.9125.6-171.6-172.90000110.5P368 T373 L392 L393 A567 R569P368-V371 HydrophobicContact CB-CG2 3.94Å; P368-V371 HydrophobicContact CG-CG2 3.63Å; P368-V371 WeakPolarHBondContact O-CG2 3.29Å; V371-T373 HydrophobicContact CG1-CG2 3.74Å; V371-L392 CarbonylContact O-C 3.57Å; V371-L392 WeakPolarHBondContact O-CA 3.46Å; V371-L393 HydrophobicContact CB-CB 4.4Å; V371-L393 PolarHBondContact N-O 2.81Å; V371-L393 PolarHBondContact O-N 2.92Å; V371-A567 CarbonylContact C-O 3.6Å; V371-A567 WeakPolarHBondContact CA-O 3.14Å; V371-R569 HydrophobicContact CG1-CG 4.4Å
372M84.1Confident79.7Confident1 Ų151.5 Ų51.51%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-103.2115166.3-171.3-178.6109.500109Y390 T391 L392 L404 M470 L472 A567 K568 R569M372-Y390 HydrophobicContact CE-CD1 3.75Å; M372-Y390 HydrophobicContact CE-CE1 3.82Å; M372-Y390 HydrophobicContact CG-CD1 4.46Å; M372-T391 CarbonylContact C-O 3.58Å; M372-T391 WeakPolarHBondContact CA-O 3.41Å; M372-L392 HydrophobicContact CB-CD1 3.97Å; M372-L392 HydrophobicContact CG-CD1 4.39Å; M372-L404 HydrophobicContact CE-CD1 4.07Å; M372-L404 HydrophobicContact SD-CD1 3.69Å; M372-M470 HydrophobicContact CE-CB 4.4Å; M372-L472 HydrophobicContact SD-CD1 4.25Å; M372-A567 PolarHBondContact N-O 3.09Å; M372-K568 HydrophobicContact CB-CG 4.43Å; M372-K568 HydrophobicContact CE-CD 3.73Å; M372-K568 HydrophobicContact CE-CG 3.75Å; M372-K568 HydrophobicContact SD-CD 4.46Å; M372-K568 HydrophobicContact SD-CG 4.45Å; M372-R569 PolarHBondContact O-N 3.36Å
373T84.6Confident79.7Confident34 Ų3456.8 Ų56.821%0.20929%0.292CS..EExtended strand (participates in β ladder)trans-106155.617166.10000109.9V371 Y390 T391 R569V371-T373 HydrophobicContact CG1-CG2 3.74Å; T373-Y390 CarbonylContact O-C 3.48Å; T373-Y390 VanDerWaalsContact O-CA 3.28Å; T373-Y390 WeakPolarHBondContact O-CA 3.12Å; T373-T391 PolarHBondContact N-O 2.91Å; T373-T391 PolarHBondContact O-N 2.9Å; T373-T391 WeakPolarHBondContact OG1-CB 3.39Å; T373-T391 PolarHBondContact OG1-O 3.4Å; T373-R569 HydrophobicContact CG2-CG 4.07Å
374A83.8Confident80.1Confident15 Ų1560.6 Ų60.612%0.12431%0.309CS..EExtended strand (participates in β ladder)trans-140.6128.5-179.600000108.6V388 T389 Y390 C571A374-V388 HydrophobicContact CB-CG1 4.08Å; A374-T389 CarbonylContact C-O 3.58Å; A374-T389 WeakPolarHBondContact CA-O 3.36Å; A374-Y390 HydrophobicContact CB-CD1 3.5Å; A374-Y390 VanDerWaalsContact CB-CD1 3.5Å; A374-Y390 HydrophobicContact CB-CE1 3.43Å; A374-Y390 VanDerWaalsContact CB-CE1 3.43Å; A374-Y390 HydrophobicContact CB-CG 4.32Å; A374-C571 HydrophobicContact CB-CB 3.5Å; A374-C571 VanDerWaalsContact CB-CB 3.5Å
375S83.5Confident80.7Confident66 Ų6663 Ų6346%0.46232%0.318SS..EExtended strand (participates in β ladder)trans-130.9140.4-179.256.90000109.9T389S375-T389 PolarHBondContact N-O 2.91Å; S375-T389 PolarHBondContact O-N 2.57Å; S375-T389 PolarHBondContact OG-O 3.32Å
376C83.3Confident81.4Confident35 Ų3563.1 Ų63.124%0.23632%0.318CS..EExtended strand (participates in β ladder)trans-144.4147.5179.8-174.40000108.9S378 F386 T387 V388 V573C376-S378 PolarHBondContact O-N 3.43Å; C376-F386 WeakPolarHBondContact SG-CD2 3.39Å; C376-T387 PolarHBondContact SG-O 3.25Å; C376-T387 VanDerWaalsContact SG-O 3.33Å; C376-V388 HydrophobicContact CB-CB 4.47Å; C376-V388 HydrophobicContact CB-CG1 4.42Å; C376-V388 HydrophobicContact CB-CG2 3.99Å; C376-V573 HydrophobicContact CB-CG2 3.86Å
377E81.1Confident82.4Confident178 Ų17861.1 Ų61.183%0.83231%0.31SS*.  trans-72.7119.7169.9-63.8-174.8171.500108.7V380E377-V380 WeakPolarHBondContact O-CG2 3.44Å
378S78.8Confident83.4Confident63 Ų6358.3 Ų58.344%0.44130%0.3SS..SBendtrans-131.4139.6-177.5172.50000108.5C376 L574C376-S378 PolarHBondContact O-N 3.43Å; S378-L574 PolarHBondContact OG-N 3.31Å
379P83.7Confident84.3Confident88 Ų8858.7 Ų58.757%0.57130%0.301SS*.SBendcis-82.2156.17.832.5-35.1000115L574 V576P379-L574 CarbonylContact C-O 3.54Å; P379-L574 VanDerWaalsContact CA-O 3.29Å; P379-L574 WeakPolarHBondContact CA-O 3.39Å; P379-L574 HydrophobicContact CB-CB 4.41Å; P379-L574 HydrophobicContact CB-CD2 4.33Å; P379-L574 HydrophobicContact CB-CG 4.41Å; P379-V576 HydrophobicContact CB-CG1 4.06Å; P379-V576 HydrophobicContact CB-CG2 4.31Å
380V86.5Confident84.9Confident12 Ų1256.5 Ų56.57%0.07329%0.287CS..EExtended strand (participates in β ladder)trans-115.7151.9178.5-176.50000110.4E377 E384 F386 V573 L574 V575 V576E377-V380 WeakPolarHBondContact O-CG2 3.44Å; V380-E384 HydrophobicContact CG1-CB 4.48Å; V380-F386 HydrophobicContact CB-CB 4.44Å; V380-F386 HydrophobicContact CB-CD1 4.38Å; V380-F386 HydrophobicContact CB-CG 4.41Å; V380-F386 HydrophobicContact CG1-CB 3.65Å; V380-F386 HydrophobicContact CG1-CD1 3.59Å; V380-F386 HydrophobicContact CG1-CE1 4.44Å; V380-F386 HydrophobicContact CG1-CG 3.8Å; V380-F386 HydrophobicContact CG2-CB 3.88Å; V380-F386 HydrophobicContact CG2-CD1 4.38Å; V380-F386 HydrophobicContact CG2-CD2 4.29Å; V380-F386 HydrophobicContact CG2-CG 3.94Å; V380-V573 HydrophobicContact CB-CG1 4.31Å; V380-V573 HydrophobicContact CG2-CG1 3.7Å; V380-L574 PolarHBondContact N-O 3.13Å; V380-V575 CarbonylContact O-C 3.53Å; V380-V575 VanDerWaalsContact O-CA 3.24Å; V380-V575 WeakPolarHBondContact O-CA 3.47Å; V380-V576 WeakPolarHBondContact O-CG2 3.31Å; V380-V576 PolarHBondContact O-N 3.26Å
381R86.3Confident85.3Confident127 Ų12758 Ų5848%0.47930%0.296SS..EExtended strand (participates in β ladder)trans-86.6149175.9-55.6-176.1-179.3102.8-4.7112.6E384 V576R381-E384 HydrophobicContact CB-CB 4.14Å; R381-E384 WeakPolarHBondContact CB-OE2 3.22Å; R381-E384 WeakPolarHBondContact CD-OE2 3.34Å; R381-E384 WeakPolarHBondContact CG-OE2 3.16Å; R381-E384 IonicContact NH1-OE2 3.37Å; R381-E384 PolarHBondContact NH1-OE2 3.26Å; R381-E384 WeakPolarHBondContact O-CB 3.39Å; R381-E384 PolarHBondContact O-N 2.9Å; R381-V576 WeakPolarHBondContact CA-O 3.5Å
382T87.2Confident85.5Confident15 Ų1557.4 Ų57.49%0.09229%0.292CS..THydrogen-bonded Turntrans-57.4143.9169.954.20000111.3E384 T461 V575 V576 P578T382-E384 PolarHBondContact O-N 2.78Å; T382-E384 VanDerWaalsContact O-N 3.09Å; T382-T461 HydrophobicContact CG2-CG2 3.4Å; T382-T461 VanDerWaalsContact CG2-CG2 3.4Å; T382-V575 HydrophobicContact CG2-CG1 3.68Å; T382-V576 PolarHBondContact N-O 2.99Å; T382-P578 WeakPolarHBondContact OG1-CD 3.44Å
383Y84.8Confident85.6Confident151 Ų15161 Ų6159%0.59231%0.311SS*.THydrogen-bonded Turntrans65.5-7.5-176.7-48.9-74.3000115.5Q457 A458 L459Y383-Q457 PolarHBondContact O-NE2 2.95Å; Y383-A458 PolarHBondContact N-O 3.41Å; Y383-L459 HydrophobicContact CD1-CD2 4.04Å; Y383-L459 HydrophobicContact CE1-CB 4.45Å; Y383-L459 HydrophobicContact CE1-CD2 4.18Å
384E87.3Confident85.6Confident87 Ų8759.4 Ų59.441%0.40730%0.301SS..  trans-76.7139.9173.5-164.1170.7172.200110.1V380 R381 T382V380-E384 HydrophobicContact CG1-CB 4.48Å; R381-E384 HydrophobicContact CB-CB 4.14Å; R381-E384 WeakPolarHBondContact CB-OE2 3.22Å; R381-E384 WeakPolarHBondContact CD-OE2 3.34Å; R381-E384 WeakPolarHBondContact CG-OE2 3.16Å; R381-E384 IonicContact NH1-OE2 3.37Å; R381-E384 PolarHBondContact NH1-OE2 3.26Å; R381-E384 WeakPolarHBondContact O-CB 3.39Å; R381-E384 PolarHBondContact O-N 2.9Å; T382-E384 PolarHBondContact O-N 2.78Å; T382-E384 VanDerWaalsContact O-N 3.09Å
385R87.8Confident85.4Confident170 Ų17063.2 Ų63.264%0.64232%0.32SS*.EExtended strand (participates in β ladder)trans-79.6129.6171.6-76.4-177.3179156.40108.6H435 F456 Q457R385-H435 PolarHBondContact NE-NE2 3.15Å; R385-F456 CarbonylContact C-O 3.51Å; R385-F456 WeakPolarHBondContact CA-O 3.08Å; R385-Q457 HydrophobicContact CG-CB 4.36Å
386F88.8Confident85.2Confident16 Ų1661.4 Ų61.47%0.0731%0.305CS..EExtended strand (participates in β ladder)trans-128.7154.4176.466.6-87.1000110.6C376 V380 V388 A455 F456 A458 L466 V573C376-F386 WeakPolarHBondContact SG-CD2 3.39Å; V380-F386 HydrophobicContact CB-CB 4.44Å; V380-F386 HydrophobicContact CB-CD1 4.38Å; V380-F386 HydrophobicContact CB-CG 4.41Å; V380-F386 HydrophobicContact CG1-CB 3.65Å; V380-F386 HydrophobicContact CG1-CD1 3.59Å; V380-F386 HydrophobicContact CG1-CE1 4.44Å; V380-F386 HydrophobicContact CG1-CG 3.8Å; V380-F386 HydrophobicContact CG2-CB 3.88Å; V380-F386 HydrophobicContact CG2-CD1 4.38Å; V380-F386 HydrophobicContact CG2-CD2 4.29Å; V380-F386 HydrophobicContact CG2-CG 3.94Å; F386-V388 HydrophobicContact CD2-CG2 4.18Å; F386-V388 HydrophobicContact CE2-CG2 3.86Å; F386-A455 WeakPolarHBondContact O-CA 3.45Å; F386-F456 HydrophobicContact CD1-CB 4.24Å; F386-F456 WeakPolarHBondContact CD1-O 2.79Å; F386-F456 HydrophobicContact CD2-CB 4.21Å; F386-F456 HydrophobicContact CE1-CB 3.7Å; F386-F456 HydrophobicContact CE2-CB 3.65Å; F386-F456 HydrophobicContact CE2-CD2 4.32Å; F386-F456 HydrophobicContact CE2-CG 4.29Å; F386-F456 HydrophobicContact CZ-CB 3.39Å; F386-F456 HydrophobicContact CZ-CG 4.27Å; F386-F456 PolarHBondContact N-O 3.27Å; F386-F456 PolarHBondContact O-N 2.94Å; F386-A458 HydrophobicContact CE1-CB 4.2Å; F386-L466 HydrophobicContact CE2-CD1 3.42Å; F386-L466 VanDerWaalsContact CE2-CD1 3.42Å; F386-L466 HydrophobicContact CZ-CD1 3.7Å; F386-V573 HydrophobicContact CE2-CB 4.49Å; F386-V573 HydrophobicContact CE2-CG1 4.1Å; F386-V573 HydrophobicContact CE2-CG2 4.17Å; F386-V573 HydrophobicContact CZ-CG1 4.3Å
387T89.1Confident85Confident73 Ų7362.2 Ų62.245%0.44831%0.305SS..EExtended strand (participates in β ladder)trans-110.4131.6-175.6-58.80000109.8C376 S453C376-T387 PolarHBondContact SG-O 3.25Å; C376-T387 VanDerWaalsContact SG-O 3.33Å; T387-S453 VanDerWaalsContact CG2-CB 3.47Å
388V87.8Confident85.2Confident0 Ų057.8 Ų57.80%029%0.287CS..EExtended strand (participates in β ladder)trans-104.1120.4168.8-176.10000107.8A374 C376 F386 Y390 S453 V454 F456 L466A374-V388 HydrophobicContact CB-CG1 4.08Å; C376-V388 HydrophobicContact CB-CB 4.47Å; C376-V388 HydrophobicContact CB-CG1 4.42Å; C376-V388 HydrophobicContact CB-CG2 3.99Å; F386-V388 HydrophobicContact CD2-CG2 4.18Å; F386-V388 HydrophobicContact CE2-CG2 3.86Å; V388-Y390 HydrophobicContact CB-CD2 4.38Å; V388-Y390 HydrophobicContact CB-CE2 3.75Å; V388-Y390 HydrophobicContact CG1-CD2 4.03Å; V388-Y390 HydrophobicContact CG1-CE1 4.32Å; V388-Y390 HydrophobicContact CG1-CE2 3.5Å; V388-Y390 WeakPolarHBondContact O-CD2 3.43Å; V388-S453 WeakPolarHBondContact O-CA 3.34Å; V388-V454 PolarHBondContact N-O 2.8Å; V388-V454 PolarHBondContact O-N 3.06Å; V388-F456 HydrophobicContact CB-CD2 4.12Å; V388-F456 HydrophobicContact CB-CE2 3.85Å; V388-F456 HydrophobicContact CG2-CD2 3.52Å; V388-F456 HydrophobicContact CG2-CE2 3.61Å; V388-L466 HydrophobicContact CG2-CD1 3.51Å
389T88.3Confident85.5Confident43 Ų4354.8 Ų54.826%0.26427%0.266SS..EExtended strand (participates in β ladder)trans-86.5117.5174.3-55.10000108.6A374 S375 T451 F452A374-T389 CarbonylContact C-O 3.58Å; A374-T389 WeakPolarHBondContact CA-O 3.36Å; S375-T389 PolarHBondContact N-O 2.91Å; S375-T389 PolarHBondContact O-N 2.57Å; S375-T389 PolarHBondContact OG-O 3.32Å; T389-T451 HydrophobicContact CG2-CG2 3.48Å; T389-T451 VanDerWaalsContact CG2-CG2 3.48Å; T389-F452 CarbonylContact C-O 3.59Å; T389-F452 WeakPolarHBondContact CA-O 3.23Å
390Y86.2Confident85.5Confident0 Ų054.4 Ų54.40%026%0.259CS..EExtended strand (participates in β ladder)trans-100.5130.5173.7-68.4-91000109.5M372 T373 A374 V388 L404 T451 F452 V454 F456 M470M372-Y390 HydrophobicContact CE-CD1 3.75Å; M372-Y390 HydrophobicContact CE-CE1 3.82Å; M372-Y390 HydrophobicContact CG-CD1 4.46Å; T373-Y390 CarbonylContact O-C 3.48Å; T373-Y390 VanDerWaalsContact O-CA 3.28Å; T373-Y390 WeakPolarHBondContact O-CA 3.12Å; A374-Y390 HydrophobicContact CB-CD1 3.5Å; A374-Y390 VanDerWaalsContact CB-CD1 3.5Å; A374-Y390 HydrophobicContact CB-CE1 3.43Å; A374-Y390 VanDerWaalsContact CB-CE1 3.43Å; A374-Y390 HydrophobicContact CB-CG 4.32Å; V388-Y390 HydrophobicContact CB-CD2 4.38Å; V388-Y390 HydrophobicContact CB-CE2 3.75Å; V388-Y390 HydrophobicContact CG1-CD2 4.03Å; V388-Y390 HydrophobicContact CG1-CE1 4.32Å; V388-Y390 HydrophobicContact CG1-CE2 3.5Å; V388-Y390 WeakPolarHBondContact O-CD2 3.43Å; Y390-L404 HydrophobicContact CD1-CD2 4.4Å; Y390-L404 HydrophobicContact CD2-CD2 4.36Å; Y390-L404 HydrophobicContact CE2-CD2 4.47Å; Y390-L404 HydrophobicContact CG-CD2 4.33Å; Y390-T451 WeakPolarHBondContact O-CA 3.45Å; Y390-F452 VanDerWaalsContact CB-CE2 3.44Å; Y390-F452 HydrophobicContact CD2-CD2 4.49Å; Y390-F452 AromaticContact CD2-CE2 3.98Å; Y390-F452 HydrophobicContact CD2-CE2 3.98Å; Y390-F452 AromaticContact CG-CE2 3.87Å; Y390-F452 HydrophobicContact CG-CE2 3.87Å; Y390-F452 HydrophobicContact CG-CZ 4.02Å; Y390-F452 PolarHBondContact N-O 3.22Å; Y390-F452 PolarHBondContact O-N 2.8Å; Y390-V454 HydrophobicContact CD2-CB 4.3Å; Y390-V454 HydrophobicContact CD2-CG2 3.83Å; Y390-V454 HydrophobicContact CE2-CB 3.95Å; Y390-V454 HydrophobicContact CE2-CG2 3.84Å; Y390-F456 HydrophobicContact CE2-CE2 4.19Å; Y390-M470 HydrophobicContact CE1-CG 4.34Å
391T86.6Confident85.4Confident32 Ų3254.5 Ų54.520%0.19626%0.261CS..EExtended strand (participates in β ladder)trans-118.8124.7176-54.20000109.2M372 T373 L393 L450M372-T391 CarbonylContact C-O 3.58Å; M372-T391 WeakPolarHBondContact CA-O 3.41Å; T373-T391 PolarHBondContact N-O 2.91Å; T373-T391 PolarHBondContact O-N 2.9Å; T373-T391 WeakPolarHBondContact OG1-CB 3.39Å; T373-T391 PolarHBondContact OG1-O 3.4Å; T391-L393 HydrophobicContact CG2-CD2 4.39Å; T391-L450 CarbonylContact C-O 3.53Å; T391-L450 WeakPolarHBondContact CA-O 3.21Å
392L86.7Confident85.4Confident0 Ų048.4 Ų48.40%024%0.238CC..EExtended strand (participates in β ladder)trans-110.1116.5179.6-174.274.3000109.5F370 V371 M372 V402 A449 L450 L472F370-L392 HydrophobicContact CD1-CD1 4.06Å; F370-L392 HydrophobicContact CE1-CD1 3.24Å; F370-L392 HydrophobicContact CE1-CD2 4.43Å; F370-L392 HydrophobicContact CE1-CG 4.17Å; F370-L392 HydrophobicContact CE2-CD1 4.07Å; F370-L392 HydrophobicContact CE2-CD2 4.04Å; F370-L392 HydrophobicContact CE2-CG 4.12Å; F370-L392 HydrophobicContact CZ-CD1 3.27Å; F370-L392 HydrophobicContact CZ-CD2 3.58Å; F370-L392 HydrophobicContact CZ-CG 3.7Å; V371-L392 CarbonylContact O-C 3.57Å; V371-L392 WeakPolarHBondContact O-CA 3.46Å; M372-L392 HydrophobicContact CB-CD1 3.97Å; M372-L392 HydrophobicContact CG-CD1 4.39Å; L392-V402 HydrophobicContact CD2-CG1 3.79Å; L392-V402 HydrophobicContact CD2-CG2 4.46Å; L392-A449 CarbonylContact O-C 3.39Å; L392-A449 VanDerWaalsContact O-CA 3.31Å; L392-A449 WeakPolarHBondContact O-CA 3.27Å; L392-L450 HydrophobicContact CB-CB 4.31Å; L392-L450 HydrophobicContact CD2-CD1 4.4Å; L392-L450 PolarHBondContact N-O 3.5Å; L392-L450 PolarHBondContact O-N 3.37Å; L392-L472 HydrophobicContact CD1-CD2 3.97Å
393L85.3Confident85.4Confident76 Ų7652.5 Ų52.540%0.39825%0.251SS..EExtended strand (participates in β ladder)trans-103.3119.8175-60.9173.2000108.6F370 V371 T391 A449F370-L393 CarbonylContact C-O 3.59Å; F370-L393 VanDerWaalsContact CA-O 3.31Å; F370-L393 WeakPolarHBondContact CA-O 3.32Å; V371-L393 HydrophobicContact CB-CB 4.4Å; V371-L393 PolarHBondContact N-O 2.81Å; V371-L393 PolarHBondContact O-N 2.92Å; T391-L393 HydrophobicContact CG2-CD2 4.39Å; L393-A449 HydrophobicContact CD2-CB 3.61Å
394N85.4Confident85.4Confident0 Ų045.3 Ų45.30%022%0.223CC..EExtended strand (participates in β ladder)trans-117.5102.9-179.6176.818.4000111.4F370 L396 Q397 F399 S444 R445 K446 G447 S448F370-N394 HydrophobicContact CD2-CB 3.65Å; F370-N394 WeakPolarHBondContact CD2-OD1 3.02Å; F370-N394 HydrophobicContact CE2-CB 3.73Å; N394-L396 PolarHBondContact OD1-N 3.27Å; N394-L396 VanDerWaalsContact OD1-N 3.1Å; N394-Q397 PolarHBondContact ND2-O 3.3Å; N394-Q397 PolarHBondContact OD1-N 3Å; N394-Q397 PolarHBondContact OD1-O 3.49Å; N394-F399 VanDerWaalsContact ND2-CD2 3.33Å; N394-F399 WeakPolarHBondContact ND2-CD2 3.34Å; N394-S444 WeakPolarHBondContact CB-OG 3.32Å; N394-S444 PolarHBondContact ND2-O 3.17Å; N394-S444 PolarHBondContact ND2-OG 3.34Å; N394-R445 PolarHBondContact ND2-O 3.38Å; N394-K446 CarbonylContact O-C 3.55Å; N394-G447 WeakPolarHBondContact O-CA 3.34Å; N394-G447 PolarHBondContact O-N 3.35Å; N394-S448 PolarHBondContact N-O 3.47Å; N394-S448 PolarHBondContact O-N 3.12Å
395N79.4Confident85.3Confident96 Ų9642.2 Ų42.251%0.51321%0.21SC..  trans-112.77.5169.9-67.6-29.1000112.6C369 K446 G447C369-N395 HydrophobicContact CB-CB 4.47Å; C369-N395 CarbonylContact O-C 3.57Å; C369-N395 VanDerWaalsContact O-C 3.31Å; C369-N395 VanDerWaalsContact O-CA 3.24Å; C369-N395 WeakPolarHBondContact O-CA 3.44Å; C369-N395 WeakPolarHBondContact O-CB 3.34Å; C369-N395 PolarHBondContact O-N 3.03Å; N395-K446 VanDerWaalsContact O-CE 3.29Å; N395-K446 WeakPolarHBondContact O-CE 3.14Å; N395-G447 WeakPolarHBondContact OD1-CA 3.48Å
396L79.4Confident85.2Confident27 Ų2735.4 Ų35.414%0.14119%0.185CC..SBendtrans-83.5-65.4-175.5-175.962.4000110.8C369 F370 N394 F399 L561 K565 I566C369-L396 HydrophobicContact CB-CB 3.86Å; C369-L396 HydrophobicContact CB-CD1 3.93Å; C369-L396 HydrophobicContact CB-CG 4.49Å; C369-L396 PolarHBondContact O-N 3.2Å; C369-L396 VanDerWaalsContact O-N 3.08Å; F370-L396 HydrophobicContact CB-CB 4.14Å; F370-L396 HydrophobicContact CB-CD2 4.37Å; N394-L396 PolarHBondContact OD1-N 3.27Å; N394-L396 VanDerWaalsContact OD1-N 3.1Å; L396-F399 HydrophobicContact CD2-CZ 4.24Å; L396-L561 HydrophobicContact CD2-CD2 4.18Å; L396-K565 HydrophobicContact CD1-CB 3.98Å; L396-K565 HydrophobicContact CD1-CD 3.8Å; L396-I566 HydrophobicContact CD2-CG1 4.26Å
397Q79.7Confident84.8Confident52 Ų5236.3 Ų36.324%0.24319%0.192CC..  trans-163.4174.9-17562.9178.557.700111.1N394 F399 F476 L561N394-Q397 PolarHBondContact ND2-O 3.3Å; N394-Q397 PolarHBondContact OD1-N 3Å; N394-Q397 PolarHBondContact OD1-O 3.49Å; Q397-F399 HydrophobicContact CG-CE1 3.99Å; Q397-F399 HydrophobicContact CG-CE2 4Å; Q397-F399 HydrophobicContact CG-CZ 3.65Å; Q397-F399 WeakPolarHBondContact O-CD2 3.12Å; Q397-F476 VanDerWaalsContact NE2-CG 3.3Å; Q397-L561 VanDerWaalsContact CD-CD2 3.48Å; Q397-L561 HydrophobicContact CG-CD2 4.41Å; Q397-L561 VanDerWaalsContact OE1-CD2 3.31Å
398D84.1Confident83.8Confident85 Ų8534.7 Ų34.746%0.45518%0.182SC..  trans-76.2127.9173.8-62.3-24.3000110.9F443 R445 K446D398-F443 HydrophobicContact CB-CE2 4.5Å; D398-F443 HydrophobicContact CB-CZ 4.31Å; D398-R445 WeakPolarHBondContact OD1-CA 3.38Å; D398-K446 PolarHBondContact OD1-N 3.26Å
399F85.3Confident82.5Confident0 Ų041.4 Ų41.40%021%0.213CC..EExtended strand (participates in β ladder)trans-108124173.1-65.5-74.6000109.9F370 N394 L396 Q397 A401 V402 F443 S444 L474 Q475 F476 L561F370-F399 HydrophobicContact CD2-CD2 4.18Å; F370-F399 AromaticContact CD2-CE2 3.46Å; F370-F399 HydrophobicContact CD2-CE2 3.46Å; F370-F399 VanDerWaalsContact CD2-CE2 3.46Å; F370-F399 HydrophobicContact CD2-CZ 4.23Å; F370-F399 AromaticContact CE2-CD2 3.69Å; F370-F399 HydrophobicContact CE2-CD2 3.69Å; F370-F399 AromaticContact CE2-CE2 3.41Å; F370-F399 HydrophobicContact CE2-CE2 3.41Å; F370-F399 VanDerWaalsContact CE2-CE2 3.41Å; F370-F399 HydrophobicContact CE2-CZ 4.29Å; F370-F399 HydrophobicContact CG-CE2 4.42Å; F370-F399 HydrophobicContact CZ-CE2 4.33Å; N394-F399 VanDerWaalsContact ND2-CD2 3.33Å; N394-F399 WeakPolarHBondContact ND2-CD2 3.34Å; L396-F399 HydrophobicContact CD2-CZ 4.24Å; Q397-F399 HydrophobicContact CG-CE1 3.99Å; Q397-F399 HydrophobicContact CG-CE2 4Å; Q397-F399 HydrophobicContact CG-CZ 3.65Å; Q397-F399 WeakPolarHBondContact O-CD2 3.12Å; F399-A401 VanDerWaalsContact C-N 3.35Å; F399-V402 HydrophobicContact CB-CG2 3.77Å; F399-V402 HydrophobicContact CG-CG2 4.34Å; F399-F443 WeakPolarHBondContact O-CD2 3.34Å; F399-F443 WeakPolarHBondContact O-CE2 3.22Å; F399-S444 PolarHBondContact N-O 3.18Å; F399-S444 PolarHBondContact O-N 3.18Å; F399-L474 HydrophobicContact CD1-CB 3.87Å; F399-L474 HydrophobicContact CD1-CD1 4.19Å; F399-L474 HydrophobicContact CD1-CD2 4.15Å; F399-L474 HydrophobicContact CD1-CG 4.31Å; F399-L474 HydrophobicContact CE1-CB 3.97Å; F399-L474 HydrophobicContact CE1-CD1 3.65Å; F399-L474 HydrophobicContact CE1-CD2 4.42Å; F399-L474 HydrophobicContact CE1-CG 4.24Å; F399-L474 HydrophobicContact CE2-CD1 4.45Å; F399-L474 HydrophobicContact CG-CD2 4.25Å; F399-L474 HydrophobicContact CZ-CD1 3.8Å; F399-Q475 CarbonylContact C-O 3.59Å; F399-Q475 WeakPolarHBondContact CA-O 3.47Å; F399-F476 HydrophobicContact CD1-CB 3.83Å; F399-F476 HydrophobicContact CD1-CD1 4.38Å; F399-F476 HydrophobicContact CD1-CG 4.44Å; F399-F476 HydrophobicContact CE1-CB 4.17Å; F399-F476 HydrophobicContact CE1-CD1 4.24Å; F399-F476 HydrophobicContact CE1-CG 4.38Å; F399-L561 HydrophobicContact CE1-CD1 4.25Å; F399-L561 HydrophobicContact CE1-CD2 4.18Å; F399-L561 HydrophobicContact CZ-CD2 4.37Å
400L84.2Confident80.9Confident81 Ų8145 Ų4542%0.42423%0.227SC..EExtended strand (participates in β ladder)trans-63.4-40.3176.9-67.3-178.3000112F443 Q475 T477L400-F443 HydrophobicContact CD2-CE2 4.27Å; L400-Q475 PolarHBondContact N-O 2.95Å; L400-T477 HydrophobicContact CD1-CG2 3.61Å; L400-T477 HydrophobicContact CD2-CG2 4.37Å; L400-T477 HydrophobicContact CG-CG2 4.13Å
401A83.8Confident79.1Confident13 Ų1346.3 Ų46.311%0.10724%0.238CC..EExtended strand (participates in β ladder)trans-148.6130.6175.200000111.3F399 G442 Q475F399-A401 VanDerWaalsContact C-N 3.35Å; A401-G442 CarbonylContact C-O 3.55Å; A401-G442 VanDerWaalsContact CA-O 3.31Å; A401-G442 WeakPolarHBondContact CA-O 3.23Å; A401-Q475 HydrophobicContact CB-CB 4.03Å; A401-Q475 HydrophobicContact CB-CG 4.28Å; A401-Q475 VanDerWaalsContact CB-OE1 3.29Å; A401-Q475 PolarHBondContact N-O 3.15Å; A401-Q475 PolarHBondContact O-N 3.2Å
402V85.9Confident77.4Confident0 Ų048.6 Ų48.60%025%0.246CC..EExtended strand (participates in β ladder)trans-112.3130.5170.6-175.50000108.6L392 F399 L441 G442 L472 L474L392-V402 HydrophobicContact CD2-CG1 3.79Å; L392-V402 HydrophobicContact CD2-CG2 4.46Å; F399-V402 HydrophobicContact CB-CG2 3.77Å; F399-V402 HydrophobicContact CG-CG2 4.34Å; V402-L441 HydrophobicContact CB-CB 4.19Å; V402-L441 HydrophobicContact CG1-CB 4.43Å; V402-L441 HydrophobicContact CG1-CD1 3.89Å; V402-L441 WeakPolarHBondContact O-CA 3.23Å; V402-L441 WeakPolarHBondContact O-CB 3.04Å; V402-L441 PolarHBondContact O-N 2.7Å; V402-G442 PolarHBondContact N-O 3.25Å; V402-G442 PolarHBondContact O-N 2.87Å; V402-L472 HydrophobicContact CG1-CD1 3.72Å; V402-L472 HydrophobicContact CG1-CD2 4.04Å; V402-L472 HydrophobicContact CG1-CG 4.01Å; V402-L474 HydrophobicContact CB-CD2 4.17Å; V402-L474 HydrophobicContact CG1-CD2 3.76Å; V402-L474 HydrophobicContact CG2-CD2 3.74Å
403R86.8Confident75.4Confident100 Ų10054 Ų5438%0.37729%0.291SS..EExtended strand (participates in β ladder)trans-132.6135.8177.6-51.8-178.6-177-165.11.1110.4N439 N440 L472 K473R403-N439 CarbonylContact C-O 3.49Å; R403-N439 VanDerWaalsContact CA-O 3.3Å; R403-N439 WeakPolarHBondContact CA-O 3.14Å; R403-N440 WeakPolarHBondContact CD-OD1 3.47Å; R403-N440 WeakPolarHBondContact CG-OD1 3.41Å; R403-L472 CarbonylContact O-C 3.56Å; R403-L472 WeakPolarHBondContact O-CA 3.46Å; R403-K473 HydrophobicContact CB-CB 4.33Å; R403-K473 PolarHBondContact N-O 3.14Å; R403-K473 PolarHBondContact O-N 3.1Å
404L85.3Confident73.7Confident1 Ų154 Ų541%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-104131.6169.9-165.175.2000109.4M372 Y390 N439 F452 V454 M470 K471 L472M372-L404 HydrophobicContact CE-CD1 4.07Å; M372-L404 HydrophobicContact SD-CD1 3.69Å; Y390-L404 HydrophobicContact CD1-CD2 4.4Å; Y390-L404 HydrophobicContact CD2-CD2 4.36Å; Y390-L404 HydrophobicContact CE2-CD2 4.47Å; Y390-L404 HydrophobicContact CG-CD2 4.33Å; L404-N439 HydrophobicContact CB-CB 4.41Å; L404-N439 PolarHBondContact N-O 3.23Å; L404-N439 PolarHBondContact O-N 3.28Å; L404-F452 HydrophobicContact CB-CE2 4.26Å; L404-F452 HydrophobicContact CB-CZ 4.31Å; L404-F452 HydrophobicContact CD2-CE2 3.48Å; L404-F452 VanDerWaalsContact CD2-CE2 3.48Å; L404-F452 HydrophobicContact CD2-CZ 3.8Å; L404-F452 HydrophobicContact CG-CE2 4.45Å; L404-V454 HydrophobicContact CD2-CG2 4.49Å; L404-M470 HydrophobicContact CD1-CB 4.15Å; L404-M470 HydrophobicContact CD2-CB 4.38Å; L404-M470 HydrophobicContact CD2-CE 4.23Å; L404-M470 HydrophobicContact CD2-CG 4.1Å; L404-M470 HydrophobicContact CD2-SD 3.62Å; L404-M470 HydrophobicContact CG-CB 4.4Å; L404-M470 HydrophobicContact CG-CG 4.48Å; L404-M470 HydrophobicContact CG-SD 3.78Å; L404-K471 CarbonylContact C-O 3.46Å; L404-L472 HydrophobicContact CB-CD1 4.19Å; L404-L472 HydrophobicContact CD1-CB 4.22Å; L404-L472 HydrophobicContact CD1-CD1 3.58Å
405V86.1Confident72.1Confident22 Ų2260.3 Ų60.313%0.13334%0.336CS..EExtended strand (participates in β ladder)trans-129.6121.9-176.2-166.90000109.6T407 P437 L438 K471 K473V405-T407 HydrophobicContact CB-CG2 4.4Å; V405-T407 HydrophobicContact CG1-CG2 3.78Å; V405-T407 PolarHBondContact O-N 3.29Å; V405-P437 CarbonylContact C-O 3.57Å; V405-P437 WeakPolarHBondContact CA-O 3.37Å; V405-L438 HydrophobicContact CG1-CD1 4.44Å; V405-L438 HydrophobicContact CG2-CD1 3.74Å; V405-K471 PolarHBondContact N-O 3.42Å; V405-K471 PolarHBondContact O-N 2.86Å; V405-K473 HydrophobicContact CG2-CD 4.03Å; V405-K473 HydrophobicContact CG2-CG 4.23Å
406W84.6Confident70.5Confident27 Ų2765.6 Ų65.610%0.10236%0.358CS..EExtended strand (participates in β ladder)trans-74.6115.8168.7179.6-106000109.4I432 C434 P437 F456 L466 H469 M470W406-I432 HydrophobicContact CH2-CG2 4.37Å; W406-I432 HydrophobicContact CZ2-CG2 4.33Å; W406-C434 HydrophobicContact CB-CB 4.25Å; W406-C434 HydrophobicContact CD2-CB 3.89Å; W406-C434 HydrophobicContact CG-CB 3.69Å; W406-P437 HydrophobicContact CB-CB 4.03Å; W406-P437 PolarHBondContact N-O 3.49Å; W406-F456 HydrophobicContact CD2-CE1 4.25Å; W406-F456 AromaticContact CE3-CE1 3.71Å; W406-F456 HydrophobicContact CE3-CE1 3.71Å; W406-F456 HydrophobicContact CE3-CZ 4.17Å; W406-F456 AromaticContact CH2-CE1 3.9Å; W406-F456 HydrophobicContact CH2-CE1 3.9Å; W406-F456 HydrophobicContact CZ2-CE1 4.45Å; W406-F456 AromaticContact CZ3-CE1 3.47Å; W406-F456 HydrophobicContact CZ3-CE1 3.47Å; W406-F456 VanDerWaalsContact CZ3-CE1 3.47Å; W406-F456 HydrophobicContact CZ3-CZ 4.01Å; W406-L466 HydrophobicContact CH2-CD2 4.06Å; W406-L466 HydrophobicContact CZ3-CD2 4.44Å; W406-L466 VanDerWaalsContact CZ3-O 3.3Å; W406-L466 WeakPolarHBondContact CZ3-O 3.4Å; W406-H469 HydrophobicContact CD2-CB 4.16Å; W406-H469 HydrophobicContact CE3-CB 3.78Å; W406-H469 HydrophobicContact CH2-CB 3.63Å; W406-H469 AromaticContact CH2-CD2 3.88Å; W406-H469 HydrophobicContact CZ2-CB 3.96Å; W406-H469 HydrophobicContact CZ3-CB 3.55Å; W406-M470 HydrophobicContact CB-CE 3.9Å; W406-M470 HydrophobicContact CB-SD 3.9Å; W406-M470 HydrophobicContact CD2-CE 4.33Å; W406-M470 HydrophobicContact CE3-CE 3.66Å; W406-M470 HydrophobicContact CE3-CG 3.81Å; W406-M470 HydrophobicContact CE3-SD 3.82Å; W406-M470 HydrophobicContact CG-CE 4.47Å; W406-M470 HydrophobicContact CZ3-CG 4.26Å
407T80.9Confident69.5Low35 Ų3567 Ų6722%0.21537%0.366CS..  trans-131.190.9176.559.10000109.2V405 E409 H469 K471V405-T407 HydrophobicContact CB-CG2 4.4Å; V405-T407 HydrophobicContact CG1-CG2 3.78Å; V405-T407 PolarHBondContact O-N 3.29Å; T407-E409 VanDerWaalsContact C-N 3.27Å; T407-E409 PolarHBondContact O-N 3.08Å; T407-H469 CarbonylContact C-O 3.55Å; T407-H469 PolarHBondContact N-O 3.46Å; T407-H469 PolarHBondContact OG1-O 3.41Å; T407-K471 HydrophobicContact CG2-CD 4.31Å; T407-K471 WeakPolarHBondContact OG1-CD 3.42Å; T407-K471 WeakPolarHBondContact OG1-CE 3.5Å; T407-K471 VanDerWaalsContact OG1-CG 3.24Å; T407-K471 WeakPolarHBondContact OG1-CG 3.22Å
408P69Low69Low38 Ų3867.5 Ų67.525%0.24737%0.374CS..THydrogen-bonded Turntrans-66.5-30.4-178.122.9-27.5000112H410 L429 H469P408-H410 PolarHBondContact O-N 2.8Å; P408-L429 HydrophobicContact CB-CB 4.49Å; P408-L429 HydrophobicContact CB-CD1 4.46Å; P408-L429 HydrophobicContact CB-CD2 3.73Å; P408-L429 HydrophobicContact CB-CG 4.45Å; P408-L429 WeakPolarHBondContact O-CD1 3.4Å; P408-H469 PolarHBondContact O-ND1 2.55Å
409E60.8Low68.3Low141 Ų14169.9 Ų69.966%0.65938%0.382SS*.THydrogen-bonded Turntrans-84.6-5.6-163-70.6-175.6148.900117.7T407T407-E409 VanDerWaalsContact C-N 3.27Å; T407-E409 PolarHBondContact O-N 3.08Å
410H52.8Low67.4Low118 Ų11876.5 Ų76.555%0.54641%0.414SS..  trans-132.437.9-159.4-69.8-1000116.5P408P408-H410 PolarHBondContact O-N 2.8Å
411A49.5Very low66.5Low28 Ų2877.8 Ų77.823%0.23142%0.417CS..SBendtrans-91-19.3177.400000114.9
412Q51.2Low65.7Low81 Ų8183.8 Ų83.838%0.37944%0.437SS..  trans-142.850.6-173-62.2-156.33.800115.3G414Q412-G414 PolarHBondContact O-N 2.74Å
413A45.1Very low64.7Low112 Ų11290.8 Ų90.893%0.92646%0.463SS*.THydrogen-bonded Turntrans-7132.2175.400000114.7
414G48.5Very low63.6Low76 Ų7689.1 Ų89.178%0.78447%0.471SS*.THydrogen-bonded Turntrans-1580.3-176.500000116.3Q412Q412-G414 PolarHBondContact O-N 2.74Å
415K51.3Low62.6Low133 Ų13393 Ų9358%0.57849%0.491SS*.SBendtrans-100.2124.7168.2-89.2-178.9172.8-178.60108.4L417K415-L417 VanDerWaalsContact C-N 3.31Å; K415-L417 HydrophobicContact CB-CG 4.48Å; K415-L417 PolarHBondContact O-N 3.17Å
416Q45.8Very low61.6Low207 Ų20795 Ų9597%0.96750%0.498SS*.  trans-67.394.1165.5-77.9-178.5-11.200107.6
417L58.3Low60.7Low57 Ų5795.2 Ų95.230%0.29851%0.505SS..  trans-84146.9168.9-67.1168.6000108.5K415 E421 M425K415-L417 VanDerWaalsContact C-N 3.31Å; K415-L417 HydrophobicContact CB-CG 4.48Å; K415-L417 PolarHBondContact O-N 3.17Å; L417-E421 HydrophobicContact CB-CB 4.3Å; L417-E421 HydrophobicContact CD2-CB 4.5Å; L417-E421 WeakPolarHBondContact CD2-OE2 3.38Å; L417-M425 HydrophobicContact CD1-CE 4.02Å; L417-M425 HydrophobicContact CD1-SD 4.31Å
418C69.6Low60Low63 Ų6395.8 Ų95.843%0.42651%0.514SS..  trans-65.7157.3172.277.90000109.9E420 E421 R422C418-E420 PolarHBondContact O-N 3.01Å; C418-E421 PolarHBondContact N-OE2 2.9Å; C418-E421 PolarHBondContact O-N 2.94Å; C418-E421 WeakPolarHBondContact SG-CG 3.35Å; C418-E421 PolarHBondContact SG-N 2.83Å; C418-R422 PolarHBondContact O-N 2.8Å
419E68.8Low59.9Low134 Ų13494.9 Ų94.963%0.62651%0.507SS*.Hα-helixtrans-57.8-32.5-178.6-80.2-143.8150.800113.6R422 R423E419-R422 PolarHBondContact O-N 2.9Å; E419-R423 WeakPolarHBondContact O-CB 3.29Å; E419-R423 PolarHBondContact O-N 3.36Å; E419-R423 IonicContact OE2-NH2 3.35Å; E419-R423 PolarHBondContact OE2-NH2 2.91Å
420E66.8Low60.4Low140 Ų14093 Ų9365%0.65450%0.501SS*.Hα-helixtrans-71-44.2179.8-66.8-178.6163.100111.8C418 R422 R423 A424C418-E420 PolarHBondContact O-N 3.01Å; E420-R422 VanDerWaalsContact C-N 3.3Å; E420-R422 PolarHBondContact O-N 2.88Å; E420-R423 PolarHBondContact O-N 3.03Å; E420-A424 WeakPolarHBondContact O-CB 3.48Å; E420-A424 PolarHBondContact O-N 2.91Å
421E66.5Low61.7Low107 Ų10787.5 Ų87.550%0.548%0.476SS..Hα-helixtrans-62.5-38.9172.8-77.7174.7161.300111.3L417 C418 A424 M425L417-E421 HydrophobicContact CB-CB 4.3Å; L417-E421 HydrophobicContact CD2-CB 4.5Å; L417-E421 WeakPolarHBondContact CD2-OE2 3.38Å; C418-E421 PolarHBondContact N-OE2 2.9Å; C418-E421 PolarHBondContact O-N 2.94Å; C418-E421 WeakPolarHBondContact SG-CG 3.35Å; C418-E421 PolarHBondContact SG-N 2.83Å; E421-A424 PolarHBondContact O-N 2.85Å; E421-M425 VanDerWaalsContact O-CB 3.26Å; E421-M425 WeakPolarHBondContact O-CB 3.43Å; E421-M425 PolarHBondContact O-N 2.86Å
422R65.6Low63.4Low140 Ų14086.9 Ų86.953%0.52847%0.469SS..Hα-helixtrans-64.7-41.5176-155.4-170.67577.4-1.4111.4C418 E419 E420 Q426C418-R422 PolarHBondContact O-N 2.8Å; E419-R422 PolarHBondContact O-N 2.9Å; E420-R422 VanDerWaalsContact C-N 3.3Å; E420-R422 PolarHBondContact O-N 2.88Å; R422-Q426 WeakPolarHBondContact O-CB 3.43Å; R422-Q426 PolarHBondContact O-N 2.94Å
423R65.3Low65Low146 Ų14685.8 Ų85.855%0.55147%0.467SS*.Hα-helixtrans-65.3-43.4174.2-95.3-175.9-95.7140.9-6112.2E419 E420 Q426 A427E419-R423 WeakPolarHBondContact O-CB 3.29Å; E419-R423 PolarHBondContact O-N 3.36Å; E419-R423 IonicContact OE2-NH2 3.35Å; E419-R423 PolarHBondContact OE2-NH2 2.91Å; E420-R423 PolarHBondContact O-N 3.03Å; R423-Q426 PolarHBondContact O-N 2.84Å; R423-A427 WeakPolarHBondContact O-CB 3.32Å; R423-A427 PolarHBondContact O-N 2.86Å
424A64Low66.9Low65 Ų6581.2 Ų81.254%0.53743%0.429SS..Hα-helixtrans-65.3-41.7177.800000112E420 E421 A427 A428E420-A424 WeakPolarHBondContact O-CB 3.48Å; E420-A424 PolarHBondContact O-N 2.91Å; E421-A424 PolarHBondContact O-N 2.85Å; A424-A427 PolarHBondContact O-N 2.94Å; A424-A428 PolarHBondContact O-N 3.29Å
425M64.3Low68.7Low84 Ų8480.9 Ų80.941%0.41441%0.407SS..Hα-helixtrans-66.5-41.5175.9-167.9173.673.200111.6L417 E421 A428 L429L417-M425 HydrophobicContact CD1-CE 4.02Å; L417-M425 HydrophobicContact CD1-SD 4.31Å; E421-M425 VanDerWaalsContact O-CB 3.26Å; E421-M425 WeakPolarHBondContact O-CB 3.43Å; E421-M425 PolarHBondContact O-N 2.86Å; M425-A428 PolarHBondContact O-N 3.11Å; M425-L429 WeakPolarHBondContact O-CG 3.38Å; M425-L429 PolarHBondContact O-N 2.89Å
426Q65.9Low70.2Confident64 Ų6477 Ų7730%0.29939%0.394SS..Hα-helixtrans-61.7-44.2173.7-170.365.443.700111.4R422 R423 A428 L429 D430R422-Q426 WeakPolarHBondContact O-CB 3.43Å; R422-Q426 PolarHBondContact O-N 2.94Å; R423-Q426 PolarHBondContact O-N 2.84Å; Q426-A428 VanDerWaalsContact C-N 3.28Å; Q426-A428 PolarHBondContact O-N 3.09Å; Q426-L429 WeakPolarHBondContact O-CB 3.35Å; Q426-L429 PolarHBondContact O-N 3.2Å; Q426-L429 VanDerWaalsContact O-N 3.13Å; Q426-D430 PolarHBondContact NE2-OD1 2.94Å; Q426-D430 PolarHBondContact O-N 3.22Å
427A64.3Low71.9Confident30 Ų3070.1 Ų70.125%0.24837%0.367CS..Hα-helixtrans-64.5-30.7176.900000113.4R423 A424 S431R423-A427 WeakPolarHBondContact O-CB 3.32Å; R423-A427 PolarHBondContact O-N 2.86Å; A424-A427 PolarHBondContact O-N 2.94Å; A427-S431 PolarHBondContact O-N 3.24Å
428A65.9Low73.1Confident47 Ų4771.8 Ų71.839%0.38838%0.376SS..Hα-helixtrans-72.5-37.4172.300000111.9A424 M425 Q426 S431A424-A428 PolarHBondContact O-N 3.29Å; M425-A428 PolarHBondContact O-N 3.11Å; Q426-A428 VanDerWaalsContact C-N 3.28Å; Q426-A428 PolarHBondContact O-N 3.09Å; A428-S431 PolarHBondContact O-N 2.68Å; A428-S431 PolarHBondContact O-OG 3.42Å
429L66.9Low73.7Confident20 Ų2070.3 Ų70.311%0.10536%0.364CS..Hα-helixtrans-67-43.4174.7-71.1175.9000112.3P408 M425 Q426 S431 I432 H469P408-L429 HydrophobicContact CB-CB 4.49Å; P408-L429 HydrophobicContact CB-CD1 4.46Å; P408-L429 HydrophobicContact CB-CD2 3.73Å; P408-L429 HydrophobicContact CB-CG 4.45Å; P408-L429 WeakPolarHBondContact O-CD1 3.4Å; M425-L429 WeakPolarHBondContact O-CG 3.38Å; M425-L429 PolarHBondContact O-N 2.89Å; Q426-L429 WeakPolarHBondContact O-CB 3.35Å; Q426-L429 PolarHBondContact O-N 3.2Å; Q426-L429 VanDerWaalsContact O-N 3.13Å; L429-S431 PolarHBondContact O-N 2.72Å; L429-S431 VanDerWaalsContact O-N 3.13Å; L429-I432 PolarHBondContact O-N 3.15Å; L429-H469 WeakPolarHBondContact CD2-CE1 3.19Å
430D71.6Confident74.4Confident102 Ų10268.7 Ų68.755%0.54536%0.359SS..THydrogen-bonded Turntrans-68-11178.5-62.2-18.4000112.3Q426Q426-D430 PolarHBondContact NE2-OD1 2.94Å; Q426-D430 PolarHBondContact O-N 3.22Å
431S80.8Confident75.1Confident2 Ų263.7 Ų63.71%0.01434%0.337CS..THydrogen-bonded Turntrans-86-5.2179.477.50000114.4A427 A428 L429 A458 L459 F464A427-S431 PolarHBondContact O-N 3.24Å; A428-S431 PolarHBondContact O-N 2.68Å; A428-S431 PolarHBondContact O-OG 3.42Å; L429-S431 PolarHBondContact O-N 2.72Å; L429-S431 VanDerWaalsContact O-N 3.13Å; S431-A458 CarbonylContact O-C 3.54Å; S431-A458 WeakPolarHBondContact O-CA 3.31Å; S431-L459 PolarHBondContact O-N 3.38Å; S431-F464 WeakPolarHBondContact OG-CE1 3.47Å; S431-F464 VanDerWaalsContact OG-CZ 3.25Å; S431-F464 WeakPolarHBondContact OG-CZ 3.35Å
432I84.5Confident75.9Confident15 Ų1560.1 Ų60.18%0.07733%0.329CS..EExtended strand (participates in β ladder)trans-126.6124179.4-50.9177.3000110.6W406 L429 F456 F464 L466W406-I432 HydrophobicContact CH2-CG2 4.37Å; W406-I432 HydrophobicContact CZ2-CG2 4.33Å; L429-I432 PolarHBondContact O-N 3.15Å; I432-F456 HydrophobicContact CG2-CD1 3.93Å; I432-F464 HydrophobicContact CD1-CB 3.49Å; I432-F464 VanDerWaalsContact CD1-CB 3.49Å; I432-F464 HydrophobicContact CD1-CD1 3.42Å; I432-F464 VanDerWaalsContact CD1-CD1 3.42Å; I432-F464 HydrophobicContact CD1-CD2 4.38Å; I432-F464 HydrophobicContact CD1-CE1 4.23Å; I432-F464 HydrophobicContact CD1-CG 3.5Å; I432-F464 VanDerWaalsContact CD1-CG 3.5Å; I432-F464 HydrophobicContact CG1-CB 4.47Å; I432-F464 HydrophobicContact CG1-CD1 3.82Å; I432-F464 HydrophobicContact CG1-CE1 4.15Å; I432-F464 HydrophobicContact CG1-CG 4.01Å; I432-L466 HydrophobicContact CD1-CD2 3.54Å; I432-L466 HydrophobicContact CG2-CD2 3.7Å
433V85.6Confident76.7Confident57 Ų5758 Ų5835%0.34532%0.324SS..EExtended strand (participates in β ladder)trans-102.7122.7174.2-176.90000109.4F456 Q457 L459V433-F456 CarbonylContact O-C 3.53Å; V433-F456 VanDerWaalsContact O-CA 3.26Å; V433-F456 WeakPolarHBondContact O-CA 3.41Å; V433-Q457 HydrophobicContact CB-CB 4.43Å; V433-Q457 PolarHBondContact N-O 3.46Å; V433-Q457 PolarHBondContact O-N 2.94Å; V433-L459 HydrophobicContact CG2-CD1 3.97Å; V433-L459 HydrophobicContact CG2-CD2 4.38Å; V433-L459 HydrophobicContact CG2-CG 4.19Å
434C85.4Confident77.6Confident17 Ų1751 Ų5112%0.11530%0.297CS..EExtended strand (participates in β ladder)trans-95.6115.9171.71790000109.5W406 T436 F456W406-C434 HydrophobicContact CB-CB 4.25Å; W406-C434 HydrophobicContact CD2-CB 3.89Å; W406-C434 HydrophobicContact CG-CB 3.69Å; C434-T436 VanDerWaalsContact C-N 3.34Å; C434-T436 VanDerWaalsContact SG-C 3.59Å; C434-F456 HydrophobicContact CB-CD1 3.89Å; C434-F456 HydrophobicContact CB-CE1 3.75Å
435H85.4Confident78.6Confident69 Ų6956 Ų5632%0.31930%0.302SS..SBendtrans-77.1-22.2-178.6-69.2-75.5000112.7R385 P437 A455 Q457R385-H435 PolarHBondContact NE-NE2 3.15Å; H435-P437 WeakPolarHBondContact O-CD 3Å; H435-A455 HydrophobicContact CB-CB 4.14Å; H435-A455 PolarHBondContact N-O 3.35Å; H435-Q457 WeakPolarHBondContact NE2-CB 3.41Å; H435-Q457 PolarHBondContact NE2-OE1 2.87Å
436T83.3Confident79.5Confident50 Ų5058.3 Ų58.331%0.30731%0.31SS..  trans-125.770.6179.7-25.40000110.9C434 L438 N439C434-T436 VanDerWaalsContact C-N 3.34Å; C434-T436 VanDerWaalsContact SG-C 3.59Å; T436-L438 VanDerWaalsContact C-N 3.28Å; T436-L438 PolarHBondContact O-N 3.41Å; T436-N439 PolarHBondContact O-ND2 2.94Å
437P80.8Confident80.3Confident63 Ų6358 Ų5841%0.40932%0.324SS..  trans-71.6-17.8-169.929.2-36.4000114.2V405 W406 H435V405-P437 CarbonylContact C-O 3.57Å; V405-P437 WeakPolarHBondContact CA-O 3.37Å; W406-P437 HydrophobicContact CB-CB 4.03Å; W406-P437 PolarHBondContact N-O 3.49Å; H435-P437 WeakPolarHBondContact O-CD 3Å
438L83.4Confident81.2Confident92 Ų9258 Ų5848%0.48232%0.322SS..EExtended strand (participates in β ladder)trans-129.9117.6177.2-178.468.4000109.8V405 T436V405-L438 HydrophobicContact CG1-CD1 4.44Å; V405-L438 HydrophobicContact CG2-CD1 3.74Å; T436-L438 VanDerWaalsContact C-N 3.28Å; T436-L438 PolarHBondContact O-N 3.41Å
439N82.4Confident82.3Confident32 Ų3258.9 Ų58.917%0.17133%0.33CS..EExtended strand (participates in β ladder)trans-119.8117.4174.8-80.7-76.8000110.3R403 L404 T436 L441R403-N439 CarbonylContact C-O 3.49Å; R403-N439 VanDerWaalsContact CA-O 3.3Å; R403-N439 WeakPolarHBondContact CA-O 3.14Å; L404-N439 HydrophobicContact CB-CB 4.41Å; L404-N439 PolarHBondContact N-O 3.23Å; L404-N439 PolarHBondContact O-N 3.28Å; T436-N439 PolarHBondContact O-ND2 2.94Å; N439-L441 HydrophobicContact CB-CD2 4.43Å
440N83.9Confident83.2Confident101 Ų10160.2 Ų60.254%0.5434%0.336SS..EExtended strand (participates in β ladder)trans-92.7100.7174.8-66.6-41.4000108.9R403 G442R403-N440 WeakPolarHBondContact CD-OD1 3.47Å; R403-N440 WeakPolarHBondContact CG-OD1 3.41Å; N440-G442 VanDerWaalsContact C-N 3.3Å
441L82.1Confident84Confident35 Ų3559.8 Ų59.818%0.18334%0.338CS..EExtended strand (participates in β ladder)trans-81.6-12.9-177.5-54174.8000112.5V402 N439 L450 F452V402-L441 HydrophobicContact CB-CB 4.19Å; V402-L441 HydrophobicContact CG1-CB 4.43Å; V402-L441 HydrophobicContact CG1-CD1 3.89Å; V402-L441 WeakPolarHBondContact O-CA 3.23Å; V402-L441 WeakPolarHBondContact O-CB 3.04Å; V402-L441 PolarHBondContact O-N 2.7Å; N439-L441 HydrophobicContact CB-CD2 4.43Å; L441-L450 HydrophobicContact CB-CD1 4.45Å; L441-F452 HydrophobicContact CD1-CD1 3.74Å; L441-F452 HydrophobicContact CD1-CE1 3.26Å; L441-F452 HydrophobicContact CD1-CE2 4.4Å; L441-F452 HydrophobicContact CD1-CG 4.49Å; L441-F452 HydrophobicContact CD1-CZ 3.63Å; L441-F452 HydrophobicContact CD2-CB 3.96Å; L441-F452 HydrophobicContact CD2-CD1 3.42Å; L441-F452 VanDerWaalsContact CD2-CD1 3.42Å; L441-F452 HydrophobicContact CD2-CD2 3.94Å; L441-F452 HydrophobicContact CD2-CE1 3.82Å; L441-F452 HydrophobicContact CD2-CE2 4.27Å; L441-F452 HydrophobicContact CD2-CG 3.49Å; L441-F452 VanDerWaalsContact CD2-CG 3.49Å; L441-F452 HydrophobicContact CD2-CZ 4.22Å; L441-F452 HydrophobicContact CG-CD1 4.24Å; L441-F452 HydrophobicContact CG-CE1 4.18Å
442G83.3Confident84.3Confident32 Ų3260.8 Ų60.833%0.3334%0.342SS..EExtended strand (participates in β ladder)trans74.2-143.4175.600000112.8A401 V402 N440A401-G442 CarbonylContact C-O 3.55Å; A401-G442 VanDerWaalsContact CA-O 3.31Å; A401-G442 WeakPolarHBondContact CA-O 3.23Å; V402-G442 PolarHBondContact N-O 3.25Å; V402-G442 PolarHBondContact O-N 2.87Å; N440-G442 VanDerWaalsContact C-N 3.3Å
443F82.6Confident84.4Confident95 Ų9563.4 Ų63.442%0.41736%0.362SS..EExtended strand (participates in β ladder)trans-76.3132.7-173.5-172.7-118.5000112D398 F399 L400 R445D398-F443 HydrophobicContact CB-CE2 4.5Å; D398-F443 HydrophobicContact CB-CZ 4.31Å; F399-F443 WeakPolarHBondContact O-CD2 3.34Å; F399-F443 WeakPolarHBondContact O-CE2 3.22Å; L400-F443 HydrophobicContact CD2-CE2 4.27Å; F443-R445 HydrophobicContact CD1-CG 3.76Å; F443-R445 HydrophobicContact CE1-CB 4.46Å; F443-R445 HydrophobicContact CE1-CG 3.14Å; F443-R445 HydrophobicContact CZ-CG 3.87Å
444S84.1Confident84.6Confident0 Ų060.7 Ų60.70%035%0.345CS..EExtended strand (participates in β ladder)trans-124.8113.1174.1176.60000110N394 F399 S448N394-S444 WeakPolarHBondContact CB-OG 3.32Å; N394-S444 PolarHBondContact ND2-O 3.17Å; N394-S444 PolarHBondContact ND2-OG 3.34Å; F399-S444 PolarHBondContact N-O 3.18Å; F399-S444 PolarHBondContact O-N 3.18Å; S444-S448 PolarHBondContact OG-OG 2.81Å
445R83.9Confident84.8Confident168 Ų16861.1 Ų61.163%0.63435%0.349SS*.  trans-78.7152.3175.9-65.4-179.1-167.1-159.5-5.4110.8N394 D398 F443 G447 S448N394-R445 PolarHBondContact ND2-O 3.38Å; D398-R445 WeakPolarHBondContact OD1-CA 3.38Å; F443-R445 HydrophobicContact CD1-CG 3.76Å; F443-R445 HydrophobicContact CE1-CB 4.46Å; F443-R445 HydrophobicContact CE1-CG 3.14Å; F443-R445 HydrophobicContact CZ-CG 3.87Å; R445-G447 PolarHBondContact O-N 2.8Å; R445-S448 PolarHBondContact N-OG 3.39Å; R445-S448 WeakPolarHBondContact O-CB 3.28Å; R445-S448 PolarHBondContact O-N 3.22Å; R445-S448 PolarHBondContact O-OG 2.63Å
446K84.3Confident85Confident134 Ų13457.8 Ų57.858%0.58333%0.334SS*.THydrogen-bonded Turntrans-57.9134.5164.8-174.2-179.8177.2178.40109.7N394 N395 D398N394-K446 CarbonylContact O-C 3.55Å; N395-K446 VanDerWaalsContact O-CE 3.29Å; N395-K446 WeakPolarHBondContact O-CE 3.14Å; D398-K446 PolarHBondContact OD1-N 3.26Å
447G81.1Confident85.3Confident58 Ų5857.4 Ų57.460%0.59833%0.329SS*.THydrogen-bonded Turntrans85.31.5-171.100000114.9N394 N395 R445N394-G447 WeakPolarHBondContact O-CA 3.34Å; N394-G447 PolarHBondContact O-N 3.35Å; N395-G447 WeakPolarHBondContact OD1-CA 3.48Å; R445-G447 PolarHBondContact O-N 2.8Å
448S85.1Confident85.7Confident30 Ų3054.4 Ų54.421%0.2131%0.309CS..EExtended strand (participates in β ladder)trans-90.6151.1-176.968.10000113.6N394 S444 R445N394-S448 PolarHBondContact N-O 3.47Å; N394-S448 PolarHBondContact O-N 3.12Å; S444-S448 PolarHBondContact OG-OG 2.81Å; R445-S448 PolarHBondContact N-OG 3.39Å; R445-S448 WeakPolarHBondContact O-CB 3.28Å; R445-S448 PolarHBondContact O-N 3.22Å; R445-S448 PolarHBondContact O-OG 2.63Å
449A87.5Confident85.8Confident65 Ų6552.8 Ų52.854%0.53730%0.301SS..EExtended strand (participates in β ladder)trans-119.3125.1168.100000109.1L392 L393L392-A449 CarbonylContact O-C 3.39Å; L392-A449 VanDerWaalsContact O-CA 3.31Å; L392-A449 WeakPolarHBondContact O-CA 3.27Å; L393-A449 HydrophobicContact CD2-CB 3.61Å
450L86.8Confident85.9Confident47 Ų4758.3 Ų58.325%0.24632%0.32CS..EExtended strand (participates in β ladder)trans-117.1121.8176.7-67.2173000109.3T391 L392 L441T391-L450 CarbonylContact C-O 3.53Å; T391-L450 WeakPolarHBondContact CA-O 3.21Å; L392-L450 HydrophobicContact CB-CB 4.31Å; L392-L450 HydrophobicContact CD2-CD1 4.4Å; L392-L450 PolarHBondContact N-O 3.5Å; L392-L450 PolarHBondContact O-N 3.37Å; L441-L450 HydrophobicContact CB-CD1 4.45Å
451T87.6Confident85.9Confident94 Ų9456.7 Ų56.758%0.57731%0.313SS*.EExtended strand (participates in β ladder)trans-112.9134.1177.2-52.90000109.4T389 Y390T389-T451 HydrophobicContact CG2-CG2 3.48Å; T389-T451 VanDerWaalsContact CG2-CG2 3.48Å; Y390-T451 WeakPolarHBondContact O-CA 3.45Å
452F86.7Confident86Confident23 Ų2356.4 Ų56.410%0.10132%0.319CS..EExtended strand (participates in β ladder)trans-150160.1179.559.6-84000111T389 Y390 L404 L441 V454T389-F452 CarbonylContact C-O 3.59Å; T389-F452 WeakPolarHBondContact CA-O 3.23Å; Y390-F452 VanDerWaalsContact CB-CE2 3.44Å; Y390-F452 HydrophobicContact CD2-CD2 4.49Å; Y390-F452 AromaticContact CD2-CE2 3.98Å; Y390-F452 HydrophobicContact CD2-CE2 3.98Å; Y390-F452 AromaticContact CG-CE2 3.87Å; Y390-F452 HydrophobicContact CG-CE2 3.87Å; Y390-F452 HydrophobicContact CG-CZ 4.02Å; Y390-F452 PolarHBondContact N-O 3.22Å; Y390-F452 PolarHBondContact O-N 2.8Å; L404-F452 HydrophobicContact CB-CE2 4.26Å; L404-F452 HydrophobicContact CB-CZ 4.31Å; L404-F452 HydrophobicContact CD2-CE2 3.48Å; L404-F452 VanDerWaalsContact CD2-CE2 3.48Å; L404-F452 HydrophobicContact CD2-CZ 3.8Å; L404-F452 HydrophobicContact CG-CE2 4.45Å; L441-F452 HydrophobicContact CD1-CD1 3.74Å; L441-F452 HydrophobicContact CD1-CE1 3.26Å; L441-F452 HydrophobicContact CD1-CE2 4.4Å; L441-F452 HydrophobicContact CD1-CG 4.49Å; L441-F452 HydrophobicContact CD1-CZ 3.63Å; L441-F452 HydrophobicContact CD2-CB 3.96Å; L441-F452 HydrophobicContact CD2-CD1 3.42Å; L441-F452 VanDerWaalsContact CD2-CD1 3.42Å; L441-F452 HydrophobicContact CD2-CD2 3.94Å; L441-F452 HydrophobicContact CD2-CE1 3.82Å; L441-F452 HydrophobicContact CD2-CE2 4.27Å; L441-F452 HydrophobicContact CD2-CG 3.49Å; L441-F452 VanDerWaalsContact CD2-CG 3.49Å; L441-F452 HydrophobicContact CD2-CZ 4.22Å; L441-F452 HydrophobicContact CG-CD1 4.24Å; L441-F452 HydrophobicContact CG-CE1 4.18Å; F452-V454 HydrophobicContact CD2-CG2 4.21Å; F452-V454 HydrophobicContact CE2-CG2 4.24Å
453S88.3Confident85.9Confident70 Ų7060.4 Ų60.449%0.4933%0.332SS..EExtended strand (participates in β ladder)trans-119.7133.5-172.5-73.50000110.7T387 V388T387-S453 VanDerWaalsContact CG2-CB 3.47Å; V388-S453 WeakPolarHBondContact O-CA 3.34Å
454V89.3Confident85.8Confident0 Ų057.1 Ų57.10%032%0.317CS..EExtended strand (participates in β ladder)trans-120.1127.9174.2-1760000108.8V388 Y390 L404 F452 F456 M470V388-V454 PolarHBondContact N-O 2.8Å; V388-V454 PolarHBondContact O-N 3.06Å; Y390-V454 HydrophobicContact CD2-CB 4.3Å; Y390-V454 HydrophobicContact CD2-CG2 3.83Å; Y390-V454 HydrophobicContact CE2-CB 3.95Å; Y390-V454 HydrophobicContact CE2-CG2 3.84Å; L404-V454 HydrophobicContact CD2-CG2 4.49Å; F452-V454 HydrophobicContact CD2-CG2 4.21Å; F452-V454 HydrophobicContact CE2-CG2 4.24Å; V454-F456 HydrophobicContact CB-CD2 4.45Å; V454-F456 HydrophobicContact CB-CE2 3.77Å; V454-F456 HydrophobicContact CB-CZ 4.32Å; V454-F456 HydrophobicContact CG1-CD2 4.2Å; V454-F456 HydrophobicContact CG1-CE1 4.49Å; V454-F456 HydrophobicContact CG1-CE2 3.6Å; V454-F456 HydrophobicContact CG1-CZ 3.81Å; V454-F456 WeakPolarHBondContact O-CD2 3.39Å; V454-M470 HydrophobicContact CB-CE 4.41Å; V454-M470 HydrophobicContact CG1-CE 3.78Å; V454-M470 HydrophobicContact CG2-CE 4.31Å
455A89.8Confident85.8Confident25 Ų2559.1 Ų59.121%0.20733%0.327CS..EExtended strand (participates in β ladder)trans-87.7133.1178.200000111F386 H435F386-A455 WeakPolarHBondContact O-CA 3.45Å; H435-A455 HydrophobicContact CB-CB 4.14Å; H435-A455 PolarHBondContact N-O 3.35Å
456F89.5Confident85.7Confident0 Ų051.1 Ų51.10%030%0.297CS..EExtended strand (participates in β ladder)trans-125.8161.2177.3-66.4-89.6000110.6R385 F386 V388 Y390 W406 I432 V433 C434 V454 L466 M470R385-F456 CarbonylContact C-O 3.51Å; R385-F456 WeakPolarHBondContact CA-O 3.08Å; F386-F456 HydrophobicContact CD1-CB 4.24Å; F386-F456 WeakPolarHBondContact CD1-O 2.79Å; F386-F456 HydrophobicContact CD2-CB 4.21Å; F386-F456 HydrophobicContact CE1-CB 3.7Å; F386-F456 HydrophobicContact CE2-CB 3.65Å; F386-F456 HydrophobicContact CE2-CD2 4.32Å; F386-F456 HydrophobicContact CE2-CG 4.29Å; F386-F456 HydrophobicContact CZ-CB 3.39Å; F386-F456 HydrophobicContact CZ-CG 4.27Å; F386-F456 PolarHBondContact N-O 3.27Å; F386-F456 PolarHBondContact O-N 2.94Å; V388-F456 HydrophobicContact CB-CD2 4.12Å; V388-F456 HydrophobicContact CB-CE2 3.85Å; V388-F456 HydrophobicContact CG2-CD2 3.52Å; V388-F456 HydrophobicContact CG2-CE2 3.61Å; Y390-F456 HydrophobicContact CE2-CE2 4.19Å; W406-F456 HydrophobicContact CD2-CE1 4.25Å; W406-F456 AromaticContact CE3-CE1 3.71Å; W406-F456 HydrophobicContact CE3-CE1 3.71Å; W406-F456 HydrophobicContact CE3-CZ 4.17Å; W406-F456 AromaticContact CH2-CE1 3.9Å; W406-F456 HydrophobicContact CH2-CE1 3.9Å; W406-F456 HydrophobicContact CZ2-CE1 4.45Å; W406-F456 AromaticContact CZ3-CE1 3.47Å; W406-F456 HydrophobicContact CZ3-CE1 3.47Å; W406-F456 VanDerWaalsContact CZ3-CE1 3.47Å; W406-F456 HydrophobicContact CZ3-CZ 4.01Å; I432-F456 HydrophobicContact CG2-CD1 3.93Å; V433-F456 CarbonylContact O-C 3.53Å; V433-F456 VanDerWaalsContact O-CA 3.26Å; V433-F456 WeakPolarHBondContact O-CA 3.41Å; C434-F456 HydrophobicContact CB-CD1 3.89Å; C434-F456 HydrophobicContact CB-CE1 3.75Å; V454-F456 HydrophobicContact CB-CD2 4.45Å; V454-F456 HydrophobicContact CB-CE2 3.77Å; V454-F456 HydrophobicContact CB-CZ 4.32Å; V454-F456 HydrophobicContact CG1-CD2 4.2Å; V454-F456 HydrophobicContact CG1-CE1 4.49Å; V454-F456 HydrophobicContact CG1-CE2 3.6Å; V454-F456 HydrophobicContact CG1-CZ 3.81Å; V454-F456 WeakPolarHBondContact O-CD2 3.39Å; F456-L466 HydrophobicContact CD1-CD2 4.02Å; F456-L466 HydrophobicContact CD2-CD1 4.21Å; F456-L466 HydrophobicContact CE1-CD2 4.15Å; F456-L466 HydrophobicContact CE2-CD1 4.4Å; F456-L466 HydrophobicContact CG-CD1 4.3Å; F456-L466 HydrophobicContact CG-CD2 4.41Å; F456-L466 HydrophobicContact CZ-CB 4.44Å; F456-M470 HydrophobicContact CE1-CE 4.03Å; F456-M470 HydrophobicContact CE2-CE 4.36Å; F456-M470 HydrophobicContact CZ-CE 3.42Å; F456-M470 VanDerWaalsContact CZ-CE 3.42Å
457Q89.4Confident85.3Confident41 Ų4144.9 Ų44.919%0.19227%0.27CS..EExtended strand (participates in β ladder)trans-142.9125.8172.7-175.51786.800108.7Y383 R385 V433 H435Y383-Q457 PolarHBondContact O-NE2 2.95Å; R385-Q457 HydrophobicContact CG-CB 4.36Å; V433-Q457 HydrophobicContact CB-CB 4.43Å; V433-Q457 PolarHBondContact N-O 3.46Å; V433-Q457 PolarHBondContact O-N 2.94Å; H435-Q457 WeakPolarHBondContact NE2-CB 3.41Å; H435-Q457 PolarHBondContact NE2-OE1 2.87Å
458A88.1Confident85Confident0 Ų045 Ų450%026%0.255CS..EExtended strand (participates in β ladder)trans-97127.7178.700000110.2Y383 F386 S431 F464 V575Y383-A458 PolarHBondContact N-O 3.41Å; F386-A458 HydrophobicContact CE1-CB 4.2Å; S431-A458 CarbonylContact O-C 3.54Å; S431-A458 WeakPolarHBondContact O-CA 3.31Å; A458-F464 HydrophobicContact CB-CE2 4.34Å; A458-V575 HydrophobicContact CB-CB 4.2Å; A458-V575 HydrophobicContact CB-CG1 3.77Å; A458-V575 HydrophobicContact CB-CG2 3.57Å
459L87Confident84.7Confident59 Ų5944.8 Ų44.831%0.30925%0.251SS..SBendtrans-91-13.6-179-54.8-177.9000112.5Y383 S431 V433Y383-L459 HydrophobicContact CD1-CD2 4.04Å; Y383-L459 HydrophobicContact CE1-CB 4.45Å; Y383-L459 HydrophobicContact CE1-CD2 4.18Å; S431-L459 PolarHBondContact O-N 3.38Å; V433-L459 HydrophobicContact CG2-CD1 3.97Å; V433-L459 HydrophobicContact CG2-CD2 4.38Å; V433-L459 HydrophobicContact CG2-CG 4.19Å
460R84.4Confident84.5Confident148 Ų14841.8 Ų41.856%0.55823%0.225SC*.SBendtrans-135157.3178.4-61.3-174.4177.6-177.1-0.5110.5F464 V575R460-F464 VanDerWaalsContact O-CE2 3.32Å; R460-F464 WeakPolarHBondContact O-CE2 3.43Å; R460-V575 WeakPolarHBondContact O-CG1 3.29Å
461T83.8Confident84.3Confident67 Ų6741.2 Ų41.241%0.41122%0.221SC..  trans-73.6152.3169.947.20000111.2T382 V575 V576 E577T382-T461 HydrophobicContact CG2-CG2 3.4Å; T382-T461 VanDerWaalsContact CG2-CG2 3.4Å; T461-V575 WeakPolarHBondContact CA-O 3.49Å; T461-V575 WeakPolarHBondContact CB-O 3.38Å; T461-V576 VanDerWaalsContact CG2-C 3.49Å; T461-E577 HydrophobicContact CG2-CB 4.28Å; T461-E577 HydrophobicContact CG2-CG 3.51Å; T461-E577 VanDerWaalsContact CG2-N 3.34Å
462G82.7Confident84.2Confident29 Ų2936.8 Ų36.830%0.29919%0.194SC..EExtended strand (participates in β ladder)trans147.3177.4179.800000113.5V575G462-V575 PolarHBondContact N-O 2.85Å; G462-V575 PolarHBondContact O-N 2.87Å
463L82.6Confident84.2Confident116 Ų11640.1 Ų40.161%0.60721%0.208SC*.EExtended strand (participates in β ladder)trans-97.7117.3172.6-175.370.6000108.9K572 L574L463-K572 HydrophobicContact CD1-CB 4.02Å; L463-K572 HydrophobicContact CD2-CD 4.38Å; L463-K572 HydrophobicContact CG-CB 4.42Å; L463-L574 HydrophobicContact CD1-CB 4.32Å
464F80.8Confident84.1Confident25 Ų2536.9 Ų36.911%0.1119%0.185CC..EExtended strand (participates in β ladder)trans-114.5134.3-176.2-63.4-71.9000112.5S431 I432 A458 R460 K572 V573 V575S431-F464 WeakPolarHBondContact OG-CE1 3.47Å; S431-F464 VanDerWaalsContact OG-CZ 3.25Å; S431-F464 WeakPolarHBondContact OG-CZ 3.35Å; I432-F464 HydrophobicContact CD1-CB 3.49Å; I432-F464 VanDerWaalsContact CD1-CB 3.49Å; I432-F464 HydrophobicContact CD1-CD1 3.42Å; I432-F464 VanDerWaalsContact CD1-CD1 3.42Å; I432-F464 HydrophobicContact CD1-CD2 4.38Å; I432-F464 HydrophobicContact CD1-CE1 4.23Å; I432-F464 HydrophobicContact CD1-CG 3.5Å; I432-F464 VanDerWaalsContact CD1-CG 3.5Å; I432-F464 HydrophobicContact CG1-CB 4.47Å; I432-F464 HydrophobicContact CG1-CD1 3.82Å; I432-F464 HydrophobicContact CG1-CE1 4.15Å; I432-F464 HydrophobicContact CG1-CG 4.01Å; A458-F464 HydrophobicContact CB-CE2 4.34Å; R460-F464 VanDerWaalsContact O-CE2 3.32Å; R460-F464 WeakPolarHBondContact O-CE2 3.43Å; F464-K572 CarbonylContact O-C 3.53Å; F464-K572 VanDerWaalsContact O-CA 3.29Å; F464-K572 WeakPolarHBondContact O-CA 3.27Å; F464-V573 PolarHBondContact N-O 2.81Å; F464-V573 PolarHBondContact O-N 3.35Å; F464-V575 HydrophobicContact CD2-CB 4.24Å; F464-V575 HydrophobicContact CD2-CG2 3.65Å; F464-V575 HydrophobicContact CE2-CB 4.04Å; F464-V575 HydrophobicContact CE2-CG2 3.88Å
465E83.5Confident83.8Confident43 Ų4339.9 Ų39.920%0.20120%0.199CC..EExtended strand (participates in β ladder)trans-100.383.7177.3-165.8-176.9140.100111.7S467 Q468 E570 C571 K572E465-S467 VanDerWaalsContact C-N 3.29Å; E465-S467 PolarHBondContact O-N 2.81Å; E465-Q468 HydrophobicContact CB-CB 4.5Å; E465-Q468 HydrophobicContact CG-CB 4.26Å; E465-Q468 WeakPolarHBondContact O-CB 3.45Å; E465-Q468 PolarHBondContact O-N 3.5Å; E465-Q468 VanDerWaalsContact O-N 3.15Å; E465-E570 WeakPolarHBondContact OE1-CG 3.27Å; E465-C571 CarbonylContact C-O 3.52Å; E465-C571 WeakPolarHBondContact CA-O 3.12Å; E465-K572 HydrophobicContact CB-CG 4.24Å; E465-K572 HydrophobicContact CG-CG 4.05Å; E465-K572 WeakPolarHBondContact OE2-CE 3.49Å; E465-K572 IonicContact OE2-NZ 3.7Å
466L80.8Confident83.4Confident0 Ų039 Ų390%019%0.191CC..Hα-helixtrans-66.2-31.9-173.3-60.2171.9000112.9F386 V388 W406 I432 F456 Q468 C571 V573F386-L466 HydrophobicContact CE2-CD1 3.42Å; F386-L466 VanDerWaalsContact CE2-CD1 3.42Å; F386-L466 HydrophobicContact CZ-CD1 3.7Å; V388-L466 HydrophobicContact CG2-CD1 3.51Å; W406-L466 HydrophobicContact CH2-CD2 4.06Å; W406-L466 HydrophobicContact CZ3-CD2 4.44Å; W406-L466 VanDerWaalsContact CZ3-O 3.3Å; W406-L466 WeakPolarHBondContact CZ3-O 3.4Å; I432-L466 HydrophobicContact CD1-CD2 3.54Å; I432-L466 HydrophobicContact CG2-CD2 3.7Å; F456-L466 HydrophobicContact CD1-CD2 4.02Å; F456-L466 HydrophobicContact CD2-CD1 4.21Å; F456-L466 HydrophobicContact CE1-CD2 4.15Å; F456-L466 HydrophobicContact CE2-CD1 4.4Å; F456-L466 HydrophobicContact CG-CD1 4.3Å; F456-L466 HydrophobicContact CG-CD2 4.41Å; F456-L466 HydrophobicContact CZ-CB 4.44Å; L466-Q468 PolarHBondContact O-N 3.14Å; L466-C571 PolarHBondContact N-O 3.01Å; L466-C571 VanDerWaalsContact N-O 3.13Å; L466-V573 HydrophobicContact CD1-CB 4.31Å; L466-V573 HydrophobicContact CD1-CG2 3.62Å; L466-V573 HydrophobicContact CG-CG2 4.44Å
467S76.1Confident82.3Confident2 Ų242.9 Ų42.91%0.01422%0.215CC..Hα-helixtrans-57.9-37.5175.347.40000111.5E465 H469 M470 K568 E570 C571E465-S467 VanDerWaalsContact C-N 3.29Å; E465-S467 PolarHBondContact O-N 2.81Å; S467-H469 VanDerWaalsContact C-N 3.27Å; S467-H469 PolarHBondContact O-N 2.91Å; S467-M470 PolarHBondContact O-N 2.85Å; S467-M470 VanDerWaalsContact O-N 3.13Å; S467-K568 WeakPolarHBondContact O-CE 3.44Å; S467-K568 PolarHBondContact O-NZ 2.86Å; S467-E570 VanDerWaalsContact OG-CA 3.25Å; S467-E570 WeakPolarHBondContact OG-CA 3.16Å; S467-C571 PolarHBondContact OG-N 3.32Å
468Q76.1Confident80.6Confident60 Ų6042.8 Ų42.828%0.2822%0.221SC..Hα-helixtrans-56.3-41.4-172.4-170.3179.73.500112.6E465 L466E465-Q468 HydrophobicContact CB-CB 4.5Å; E465-Q468 HydrophobicContact CG-CB 4.26Å; E465-Q468 WeakPolarHBondContact O-CB 3.45Å; E465-Q468 PolarHBondContact O-N 3.5Å; E465-Q468 VanDerWaalsContact O-N 3.15Å; L466-Q468 PolarHBondContact O-N 3.14Å
469H77.6Confident78.6Confident27 Ų2747.4 Ų47.413%0.12525%0.253CS..Hα-helixtrans-87.4-9-175.8-54.8-65.4000114.1W406 T407 P408 L429 S467W406-H469 HydrophobicContact CD2-CB 4.16Å; W406-H469 HydrophobicContact CE3-CB 3.78Å; W406-H469 HydrophobicContact CH2-CB 3.63Å; W406-H469 AromaticContact CH2-CD2 3.88Å; W406-H469 HydrophobicContact CZ2-CB 3.96Å; W406-H469 HydrophobicContact CZ3-CB 3.55Å; T407-H469 CarbonylContact C-O 3.55Å; T407-H469 PolarHBondContact N-O 3.46Å; T407-H469 PolarHBondContact OG1-O 3.41Å; P408-H469 PolarHBondContact O-ND1 2.55Å; L429-H469 WeakPolarHBondContact CD2-CE1 3.19Å; S467-H469 VanDerWaalsContact C-N 3.27Å; S467-H469 PolarHBondContact O-N 2.91Å
470M83.2Confident76.1Confident1 Ų150.4 Ų50.41%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-82.5118.3175.3-80.5-61.1-174.700111.9M372 Y390 L404 W406 V454 F456 S467 K568M372-M470 HydrophobicContact CE-CB 4.4Å; Y390-M470 HydrophobicContact CE1-CG 4.34Å; L404-M470 HydrophobicContact CD1-CB 4.15Å; L404-M470 HydrophobicContact CD2-CB 4.38Å; L404-M470 HydrophobicContact CD2-CE 4.23Å; L404-M470 HydrophobicContact CD2-CG 4.1Å; L404-M470 HydrophobicContact CD2-SD 3.62Å; L404-M470 HydrophobicContact CG-CB 4.4Å; L404-M470 HydrophobicContact CG-CG 4.48Å; L404-M470 HydrophobicContact CG-SD 3.78Å; W406-M470 HydrophobicContact CB-CE 3.9Å; W406-M470 HydrophobicContact CB-SD 3.9Å; W406-M470 HydrophobicContact CD2-CE 4.33Å; W406-M470 HydrophobicContact CE3-CE 3.66Å; W406-M470 HydrophobicContact CE3-CG 3.81Å; W406-M470 HydrophobicContact CE3-SD 3.82Å; W406-M470 HydrophobicContact CG-CE 4.47Å; W406-M470 HydrophobicContact CZ3-CG 4.26Å; V454-M470 HydrophobicContact CB-CE 4.41Å; V454-M470 HydrophobicContact CG1-CE 3.78Å; V454-M470 HydrophobicContact CG2-CE 4.31Å; F456-M470 HydrophobicContact CE1-CE 4.03Å; F456-M470 HydrophobicContact CE2-CE 4.36Å; F456-M470 HydrophobicContact CZ-CE 3.42Å; F456-M470 VanDerWaalsContact CZ-CE 3.42Å; S467-M470 PolarHBondContact O-N 2.85Å; S467-M470 VanDerWaalsContact O-N 3.13Å; M470-K568 WeakPolarHBondContact O-CE 3.35Å; M470-K568 PolarHBondContact O-NZ 3.02Å
471K84.4Confident73.6Confident35 Ų3548.8 Ų48.815%0.15229%0.285CS..EExtended strand (participates in β ladder)trans-102.9130.2175.7-67.3-169.1-176.4178.30110.7L404 V405 T407 F518L404-K471 CarbonylContact C-O 3.46Å; V405-K471 PolarHBondContact N-O 3.42Å; V405-K471 PolarHBondContact O-N 2.86Å; T407-K471 HydrophobicContact CG2-CD 4.31Å; T407-K471 WeakPolarHBondContact OG1-CD 3.42Å; T407-K471 WeakPolarHBondContact OG1-CE 3.5Å; T407-K471 VanDerWaalsContact OG1-CG 3.24Å; T407-K471 WeakPolarHBondContact OG1-CG 3.22Å; K471-F518 WeakPolarHBondContact CA-O 2.84Å
472L84.9Confident70.8Confident1 Ų153 Ų531%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-96.2132.6171.4-16179.7000109.2F370 M372 L392 V402 R403 L404 L474 S517 F518F370-L472 HydrophobicContact CE1-CD2 3.37Å; F370-L472 HydrophobicContact CZ-CD2 3.67Å; M372-L472 HydrophobicContact SD-CD1 4.25Å; L392-L472 HydrophobicContact CD1-CD2 3.97Å; V402-L472 HydrophobicContact CG1-CD1 3.72Å; V402-L472 HydrophobicContact CG1-CD2 4.04Å; V402-L472 HydrophobicContact CG1-CG 4.01Å; R403-L472 CarbonylContact O-C 3.56Å; R403-L472 WeakPolarHBondContact O-CA 3.46Å; L404-L472 HydrophobicContact CB-CD1 4.19Å; L404-L472 HydrophobicContact CD1-CB 4.22Å; L404-L472 HydrophobicContact CD1-CD1 3.58Å; L472-L474 HydrophobicContact CD2-CD2 3.76Å; L472-L474 HydrophobicContact CD2-CG 4.27Å; L472-L474 HydrophobicContact CG-CD2 4.22Å; L472-S517 WeakPolarHBondContact O-CA 3.49Å; L472-F518 HydrophobicContact CB-CD1 4.18Å; L472-F518 HydrophobicContact CB-CD2 4.03Å; L472-F518 HydrophobicContact CB-CE1 3.61Å; L472-F518 HydrophobicContact CB-CE2 3.43Å; L472-F518 VanDerWaalsContact CB-CE2 3.43Å; L472-F518 HydrophobicContact CB-CG 4.42Å; L472-F518 HydrophobicContact CB-CZ 3.27Å; L472-F518 HydrophobicContact CD2-CE1 3.61Å; L472-F518 HydrophobicContact CD2-CE2 4.07Å; L472-F518 HydrophobicContact CD2-CZ 3.18Å; L472-F518 HydrophobicContact CG-CE1 4.03Å; L472-F518 HydrophobicContact CG-CE2 4.37Å; L472-F518 HydrophobicContact CG-CZ 3.77Å; L472-F518 PolarHBondContact N-O 3.04Å; L472-F518 WeakPolarHBondContact O-CD1 3.36Å; L472-F518 PolarHBondContact O-N 3.47Å
473K86.3Confident68.3Low94 Ų9456.8 Ų56.841%0.40932%0.319SS..EExtended strand (participates in β ladder)trans-112.3126.7175-60.3-170174.7-1790108.8R403 V405 Q516R403-K473 HydrophobicContact CB-CB 4.33Å; R403-K473 PolarHBondContact N-O 3.14Å; R403-K473 PolarHBondContact O-N 3.1Å; V405-K473 HydrophobicContact CG2-CD 4.03Å; V405-K473 HydrophobicContact CG2-CG 4.23Å; K473-Q516 WeakPolarHBondContact CA-O 3.17Å
474L86.1Confident65.8Low1 Ų156.9 Ų56.91%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-116.2132.2-178.1-61.7-179.7000110.1F370 F399 V402 L472 S515 Q516 F518 I566F370-L474 HydrophobicContact CE1-CD1 4.16Å; F370-L474 HydrophobicContact CE1-CD2 4.3Å; F370-L474 HydrophobicContact CE2-CD2 4.41Å; F370-L474 HydrophobicContact CZ-CD1 4.15Å; F370-L474 HydrophobicContact CZ-CD2 3.7Å; F399-L474 HydrophobicContact CD1-CB 3.87Å; F399-L474 HydrophobicContact CD1-CD1 4.19Å; F399-L474 HydrophobicContact CD1-CD2 4.15Å; F399-L474 HydrophobicContact CD1-CG 4.31Å; F399-L474 HydrophobicContact CE1-CB 3.97Å; F399-L474 HydrophobicContact CE1-CD1 3.65Å; F399-L474 HydrophobicContact CE1-CD2 4.42Å; F399-L474 HydrophobicContact CE1-CG 4.24Å; F399-L474 HydrophobicContact CE2-CD1 4.45Å; F399-L474 HydrophobicContact CG-CD2 4.25Å; F399-L474 HydrophobicContact CZ-CD1 3.8Å; V402-L474 HydrophobicContact CB-CD2 4.17Å; V402-L474 HydrophobicContact CG1-CD2 3.76Å; V402-L474 HydrophobicContact CG2-CD2 3.74Å; L472-L474 HydrophobicContact CD2-CD2 3.76Å; L472-L474 HydrophobicContact CD2-CG 4.27Å; L472-L474 HydrophobicContact CG-CD2 4.22Å; L474-S515 WeakPolarHBondContact O-CA 3.29Å; L474-Q516 PolarHBondContact N-O 3.36Å; L474-Q516 PolarHBondContact O-N 3.16Å; L474-F518 HydrophobicContact CD1-CD1 4.38Å; L474-F518 HydrophobicContact CD1-CE1 3.6Å; L474-F518 HydrophobicContact CG-CE1 3.85Å; L474-I566 HydrophobicContact CD1-CD1 4.21Å
475Q83.3Confident63.6Low64 Ų6461.6 Ų61.630%0.29936%0.359SS..EExtended strand (participates in β ladder)trans-114.8130.4169.7-63.9-177-21.700108.9F399 L400 A401 R514F399-Q475 CarbonylContact C-O 3.59Å; F399-Q475 WeakPolarHBondContact CA-O 3.47Å; L400-Q475 PolarHBondContact N-O 2.95Å; A401-Q475 HydrophobicContact CB-CB 4.03Å; A401-Q475 HydrophobicContact CB-CG 4.28Å; A401-Q475 VanDerWaalsContact CB-OE1 3.29Å; A401-Q475 PolarHBondContact N-O 3.15Å; A401-Q475 PolarHBondContact O-N 3.2Å; Q475-R514 WeakPolarHBondContact CA-O 3.18Å
476F80.1Confident61.1Low6 Ų668.5 Ų68.53%0.02639%0.392CS..EExtended strand (participates in β ladder)trans-148.1159.1-177.159.5-78.4000111.4Q397 F399 R514 Q516 L561Q397-F476 VanDerWaalsContact NE2-CG 3.3Å; F399-F476 HydrophobicContact CD1-CB 3.83Å; F399-F476 HydrophobicContact CD1-CD1 4.38Å; F399-F476 HydrophobicContact CD1-CG 4.44Å; F399-F476 HydrophobicContact CE1-CB 4.17Å; F399-F476 HydrophobicContact CE1-CD1 4.24Å; F399-F476 HydrophobicContact CE1-CG 4.38Å; F476-R514 PolarHBondContact N-O 3.3Å; F476-Q516 HydrophobicContact CE1-CG 4.24Å; F476-L561 HydrophobicContact CD1-CD1 3.63Å; F476-L561 HydrophobicContact CD1-CD2 4.47Å; F476-L561 HydrophobicContact CD1-CG 4.16Å; F476-L561 HydrophobicContact CD2-CD2 4.39Å; F476-L561 HydrophobicContact CD2-CG 4.42Å; F476-L561 HydrophobicContact CE1-CD1 3.14Å; F476-L561 HydrophobicContact CE1-CD2 4.36Å; F476-L561 HydrophobicContact CE1-CG 3.59Å; F476-L561 HydrophobicContact CE2-CD1 4.34Å; F476-L561 HydrophobicContact CE2-CD2 4.23Å; F476-L561 HydrophobicContact CE2-CG 3.86Å; F476-L561 HydrophobicContact CG-CD1 4.44Å; F476-L561 HydrophobicContact CZ-CD1 3.56Å; F476-L561 HydrophobicContact CZ-CD2 4.23Å; F476-L561 HydrophobicContact CZ-CG 3.42Å; F476-L561 VanDerWaalsContact CZ-CG 3.42Å
477T66.7Low58.7Low82 Ų8273.3 Ų73.350%0.50343%0.432SS..  trans-85.9135.7168.4550000108.9L400 S479L400-T477 HydrophobicContact CD1-CG2 3.61Å; L400-T477 HydrophobicContact CD2-CG2 4.37Å; L400-T477 HydrophobicContact CG-CG2 4.13Å; T477-S479 PolarHBondContact O-N 2.82Å
478A54.6Low56.6Low38 Ų3884 Ų8431%0.31447%0.472SS..  trans-65122.7167.600000107.4V480 A559A478-V480 PolarHBondContact O-N 3.22Å; A478-A559 HydrophobicContact CB-CB 3.88Å
479S46.5Very low54.3Low97 Ų9787.2 Ų87.268%0.67850%0.498SS*.  trans-60.8110.3178.749.70000109.7T477 S481T477-S479 PolarHBondContact O-N 2.82Å; S479-S481 PolarHBondContact O-N 2.87Å
480V34.2Very low52.1Low123 Ų12394.6 Ų94.675%0.74554%0.537SS*.  trans-81.2109.9163.5-179.40000106A478 H482A478-V480 PolarHBondContact O-N 3.22Å; V480-H482 HydrophobicContact CG1-CB 4.41Å; V480-H482 PolarHBondContact O-N 2.86Å
481S31Very low49.6Very low113 Ų11399.4 Ų99.479%0.7957%0.571SS**SBendtrans-72.669.5168.453.80000109.4S479S479-S481 PolarHBondContact O-N 2.87Å
482H26.6Very low47.1Very low156 Ų156108.4 Ų108.472%0.72260%0.604SS**SBendtrans-165.9123.9160.5-106.5-72000109.1V480V480-H482 HydrophobicContact CG1-CB 4.41Å; V480-H482 PolarHBondContact O-N 2.86Å
483P28.5Very low44.4Very low109 Ų109117.5 Ų117.571%0.70864%0.643SS**PPolyproline II helixtrans-66.5139.5166.227.6-30.2000109.1
484P30.7Very low41.5Very low117 Ų117118.5 Ų118.576%0.7666%0.662SS**PPolyproline II helixtrans-66.5144.7172.123.3-23.6000109.6E486P484-E486 PolarHBondContact O-N 2.62Å
485P34.7Very low38.9Very low124 Ų124123.9 Ų123.981%0.80570%0.7SS**PPolyproline II helixtrans-62.5137.9178.926-32000109.9A487P485-A487 PolarHBondContact O-N 3Å; P485-A487 VanDerWaalsContact O-N 3.08Å
486E30.4Very low37.2Very low189 Ų189126.5 Ų126.588%0.88372%0.723SS**  trans-41.9111.2178.5-67.6172.7142.400112.2P484 R488P484-E486 PolarHBondContact O-N 2.62Å; E486-R488 PolarHBondContact O-N 3.31Å
487A31.7Very low34.6Very low101 Ų101132 Ų13284%0.83576%0.762SS**  trans-74.8107.1164.400000108P485P485-A487 PolarHBondContact O-N 3Å; P485-A487 VanDerWaalsContact O-N 3.08Å
488R31.2Very low32.8Very low227 Ų227133.6 Ų133.686%0.85778%0.776SS**PPolyproline II helixtrans-50.9145.4174.2-62.4178.6-175.6168.60.5111.3E486 L490E486-R488 PolarHBondContact O-N 3.31Å; R488-L490 PolarHBondContact O-N 2.77Å
489P28Very low32.3Very low127 Ų127137.6 Ų137.683%0.82580%0.799SS**PPolyproline II helixtrans-77.9118.317831.2-32.5000110.4
490L31.2Very low31.6Very low181 Ų181137.7 Ų137.795%0.94881%0.805SS**PPolyproline II helixtrans-88.5122.6162.9-74.9174.9000109.3R488R488-L490 PolarHBondContact O-N 2.77Å
491S30.3Very low31.7Very low103 Ų103137.7 Ų137.772%0.7281%0.805SS**PPolyproline II helixtrans-92.8142.8-175.4-154.70000111.4
492R33.1Very low32.2Very low224 Ų224144.3 Ų144.385%0.84581%0.813SS**  trans66.1114148-86.2-176.5179.6-168.60.1120.7
493K27.7Very low32.6Very low192 Ų192143.7 Ų143.784%0.83582%0.815SS**  167.513998.9-98.9169.1-178.4-176.50114
494S25.4Very low32.8Very low115 Ų115144.5 Ų144.580%0.80481%0.813SS**  trans54.9123.6147.457.90000122.8
495S30.5Very low33.2Very low114 Ų114144.4 Ų144.480%0.79781%0.81SS**  trans-61.7-178.6162-310000113.6
496P49Very low33.1Very low119 Ų119147 Ų14777%0.77381%0.811SS**  cis-138.6-172.5-3.237.7-15.9000115.3
497S25.3Very low33.1Very low121 Ų121149.1 Ų149.185%0.84681%0.811SS**  trans112.1142.4159.378.70000119.8
498S28.9Very low33.1Very low115 Ų115150.7 Ų150.780%0.80480%0.801SS**  trans-82.1-157.8-159.7-43.70000115.4
499P42.7Very low33.2Very low123 Ų123148.3 Ų148.380%0.79980%0.799SS**  -126.5124-71.532.2-13.4000112.2
500A33.4Very low33.3Very low98 Ų98146.8 Ų146.881%0.8180%0.797SS**  trans-176.9118.8157.300000108.5
501V35.6Very low33.4Very low123 Ų123142.8 Ų142.875%0.74579%0.785SS**  trans172.976.9134.6179.80000104.5D503 L504V501-D503 VanDerWaalsContact C-N 3.27Å; V501-D503 PolarHBondContact O-N 3.49Å; V501-L504 HydrophobicContact CG1-CB 4.46Å
502R40.9Very low33.8Very low253 Ų253145 Ų14596%0.95579%0.788SS**  trans-93.563169-157.3-173.9-160.6179.65107.1
503D36.1Very low34.1Very low142 Ų142136.7 Ų136.776%0.75977%0.771SS**SBendtrans-163.525.9174.7-132.6-1.9000116.6V501V501-D503 VanDerWaalsContact C-N 3.27Å; V501-D503 PolarHBondContact O-N 3.49Å
504L32.8Very low35.4Very low126 Ų126134 Ų13466%0.6676%0.756SS**SBendtrans-13218.8176.2-150.981.9000114.2V501V501-L504 HydrophobicContact CG1-CB 4.46Å
505V37.6Very low36.5Very low115 Ų115132.6 Ų132.670%0.69775%0.746SS**SBendtrans-106.2-19.7-179.6-176.60000112.5
506E32.3Very low37.8Very low178 Ų178130.2 Ų130.283%0.83272%0.722SS**SBendtrans-85-17.4-175.9-103.5178.3169.100115.5
507R32.3Very low37.6Very low234 Ų234128.4 Ų128.488%0.88371%0.712SS**SBendtrans-94.9-8.9178.3-77.3-168.4-157.2138.58.8116.1
508H31Very low38.9Very low135 Ų135124 Ų12463%0.62568%0.678SS**SBendtrans-95.7-2.4-178.2-80.9100.7000115
509Q32.7Very low39.7Very low176 Ų176120.1 Ų120.182%0.82265%0.651SS**SBendtrans-88-3.3176.3-76.9-173.43.300114.7
510A29.9Very low39.5Very low95 Ų95118.4 Ų118.479%0.78563%0.632SS**SBendtrans-94.10.2-171.500000116.1
511S34.4Very low39.4Very low98 Ų98120 Ų12069%0.68562%0.623SS**SBendtrans-1329.1-171.7810000118.7
512L37.4Very low39.2Very low150 Ų150120.9 Ų120.979%0.78562%0.619SS**SBendtrans-120.827.4-172.8-70.9172.7000116.6
513G40Very low38.5Very low48 Ų48113 Ų11350%0.49560%0.6SS.*  trans-140111.3173.600000113.1
514R54.8Low38Very low137 Ų137111.2 Ų111.252%0.51760%0.599SS.*EExtended strand (participates in β ladder)trans-74.8131.1164.8-70.3-175.5178.1178.31.8107.9Q475 F476Q475-R514 WeakPolarHBondContact CA-O 3.18Å; F476-R514 PolarHBondContact N-O 3.3Å
515S48.8Very low37.8Very low85 Ų85116 Ų11659%0.59461%0.608SS**EExtended strand (participates in β ladder)trans-118.3134.6178.870.20000110.7L474L474-S515 WeakPolarHBondContact O-CA 3.29Å
516Q58.3Low37.3Very low64 Ų64116.3 Ų116.330%0.29962%0.615SS.*EExtended strand (participates in β ladder)trans-127139.3172.8-68.6-169.88.200109.4K473 L474 F476K473-Q516 WeakPolarHBondContact CA-O 3.17Å; L474-Q516 PolarHBondContact N-O 3.36Å; L474-Q516 PolarHBondContact O-N 3.16Å; F476-Q516 HydrophobicContact CE1-CG 4.24Å
517S45.4Very low37.1Very low80 Ų80116.3 Ų116.356%0.55962%0.615SS**EExtended strand (participates in β ladder)trans-119134.7178.163.20000110.2L472L472-S517 WeakPolarHBondContact O-CA 3.49Å
518F52.3Low36.8Very low29 Ų29113.3 Ų113.313%0.12762%0.615CS.*EExtended strand (participates in β ladder)trans-125.6143.1179.859.9-100.3000113.3F370 K471 L472 L474 I566 K568F370-F518 HydrophobicContact CE1-CZ 4.12Å; K471-F518 WeakPolarHBondContact CA-O 2.84Å; L472-F518 HydrophobicContact CB-CD1 4.18Å; L472-F518 HydrophobicContact CB-CD2 4.03Å; L472-F518 HydrophobicContact CB-CE1 3.61Å; L472-F518 HydrophobicContact CB-CE2 3.43Å; L472-F518 VanDerWaalsContact CB-CE2 3.43Å; L472-F518 HydrophobicContact CB-CG 4.42Å; L472-F518 HydrophobicContact CB-CZ 3.27Å; L472-F518 HydrophobicContact CD2-CE1 3.61Å; L472-F518 HydrophobicContact CD2-CE2 4.07Å; L472-F518 HydrophobicContact CD2-CZ 3.18Å; L472-F518 HydrophobicContact CG-CE1 4.03Å; L472-F518 HydrophobicContact CG-CE2 4.37Å; L472-F518 HydrophobicContact CG-CZ 3.77Å; L472-F518 PolarHBondContact N-O 3.04Å; L472-F518 WeakPolarHBondContact O-CD1 3.36Å; L472-F518 PolarHBondContact O-N 3.47Å; L474-F518 HydrophobicContact CD1-CD1 4.38Å; L474-F518 HydrophobicContact CD1-CE1 3.6Å; L474-F518 HydrophobicContact CG-CE1 3.85Å; F518-I566 HydrophobicContact CE1-CG2 3.96Å; F518-I566 HydrophobicContact CE2-CG2 4.07Å; F518-I566 HydrophobicContact CZ-CG2 3.64Å; F518-K568 HydrophobicContact CE2-CD 4.49Å
519S45.4Very low36.6Very low33 Ų33115.3 Ų115.323%0.23163%0.627CS.*  trans-131.6165.2172.152.70000109.7Q521S519-Q521 VanDerWaalsContact C-N 3.29Å; S519-Q521 PolarHBondContact O-N 2.64Å
520H38.2Very low36.3Very low88 Ų88118.5 Ų118.541%0.40763%0.632SS.*  trans-6787.2176.6-166.8-83.5000109.8E570H520-E570 IonicContact NE2-OE1 3.9Å
521Q31.3Very low36.1Very low132 Ų132119.9 Ų119.962%0.61764%0.635SS**  trans-112.6130.1167.5-84-173.9-16.300107.8S519S519-Q521 VanDerWaalsContact C-N 3.29Å; S519-Q521 PolarHBondContact O-N 2.64Å
522Q32.3Very low35.8Very low140 Ų140118.4 Ų118.465%0.65464%0.636SS**PPolyproline II helixtrans-50.9150.4159.7-80.4-179.6-5300109.4S524Q522-S524 PolarHBondContact O-N 3.47Å; Q522-S524 VanDerWaalsContact O-N 3.16Å
523P25.4Very low35.2Very low87 Ų87116.7 Ų116.757%0.56564%0.636SS**PPolyproline II helixtrans-51.3124.5-175.918.6-30.3000110.8R525P523-R525 PolarHBondContact O-N 3.04Å
524S25.9Very low34.6Very low105 Ų105121.1 Ų121.173%0.73465%0.654SS**PPolyproline II helixtrans-72.5123.7176.841.20000109.5Q522 S526Q522-S524 PolarHBondContact O-N 3.47Å; Q522-S524 VanDerWaalsContact O-N 3.16Å; S524-S526 PolarHBondContact O-N 3.18Å
525R28.9Very low33.3Very low228 Ų228121.8 Ų121.886%0.8666%0.664SS**PPolyproline II helixtrans-53.1122.3167.8-74.7179.6167.1176.3-5108.9P523 H527P523-R525 PolarHBondContact O-N 3.04Å; R525-H527 PolarHBondContact O-N 2.69Å
526S26.7Very low32.2Very low120 Ų120125 Ų12584%0.83967%0.67SS**PPolyproline II helixtrans-64123.1174.847.50000109.8S524 L528S524-S526 PolarHBondContact O-N 3.18Å; S526-L528 PolarHBondContact O-N 3.27Å
527H27.5Very low30.8Very low179 Ų179133.4 Ų133.483%0.82970%0.699SS**PPolyproline II helixtrans-66.2123.3173.5-81.2-92.5000110R525 M529R525-H527 PolarHBondContact O-N 2.69Å; H527-M529 PolarHBondContact O-N 3.19Å; H527-M529 VanDerWaalsContact O-N 3.14Å
528L26.7Very low30.1Very low170 Ų170141 Ų14189%0.8972%0.716SS**  trans-57.5107.2170.3-153.584.4000109.4S526 R530S526-L528 PolarHBondContact O-N 3.27Å; L528-R530 PolarHBondContact O-N 3.02Å
529M26.5Very low28.8Very low177 Ų177144 Ų14487%0.87275%0.745SS**  trans-77.6107.8167.5-85.3-81.1121.900108.6H527 S531H527-M529 PolarHBondContact O-N 3.19Å; H527-M529 VanDerWaalsContact O-N 3.14Å; M529-S531 PolarHBondContact O-N 3.25Å
530R26.5Very low28.1Very low244 Ų244150.5 Ų150.592%0.92178%0.776SS**  trans-67.1115.2173.3-161.6-179.7-165.6-179.93.7108.7L528L528-R530 PolarHBondContact O-N 3.02Å
531S26.1Very low27.6Very low123 Ų123152.3 Ų152.386%0.8679%0.793SS**  trans-117.3116.2165.6-151.60000108.5M529M529-S531 PolarHBondContact O-N 3.25Å
532G26.5Very low27.8Very low68 Ų68151.5 Ų151.570%0.70180%0.799SS**  trans-82138.3-173.900000113.5
533S26.5Very low27.9Very low113 Ų113150.4 Ų150.479%0.7980%0.804SS**  trans38.5120.7131.7162.60000118.9
534V26Very low28Very low142 Ų142153 Ų15386%0.86182%0.818SS**  -155.3137.7114.7170.60000109.5
535M27.1Very low28Very low150 Ų150152.5 Ų152.574%0.73982%0.82SS**  trans-67148177.6-88.3169.264.700115.5
536E27.3Very low27.9Very low152 Ų152147.1 Ų147.171%0.7182%0.817SS**  62.4111.6128-157.2178.1-160.800120.5
537R29Very low28.6Very low241 Ų241147 Ų14791%0.90981%0.814SS**  -172.8156.8115.9-98.8176.2-171.8-157.13.1113.1
538R29.5Very low28.8Very low241 Ų241145.5 Ų145.591%0.90982%0.817SS**  trans-67.8163-157.5-70.6176.4175.6179.2-2.8117.4
539A25.6Very low28.8Very low90 Ų90140.8 Ų140.874%0.74481%0.81SS**  trans-42.8147.717100000117.1
540I30.1Very low28.9Very low171 Ų171143.6 Ų143.688%0.87781%0.811SS**  trans-154.9146.8135.1-80.9130.8000107.9
541T28Very low29Very low125 Ų125138 Ų13877%0.76781%0.806SS**  trans-55.2161-171.817.80000118.6
542P36.2Very low29.1Very low116 Ų116140 Ų14075%0.75381%0.806SS**  trans-90.4159.9-179.237.7-32.2000112.9
543P34.1Very low29.2Very low117 Ų117147.3 Ų147.376%0.7681%0.814SS**  -147.5141.8125.331.8-12.7000117
544V27.5Very low29.4Very low142 Ų142149.3 Ų149.386%0.86182%0.815SS**  trans48.8128.2130.7-169.40000121.8
545A25.3Very low29.5Very low94 Ų94147.6 Ų147.678%0.77781%0.807SS**  trans85.4112.2154.300000120
546S28Very low29.8Very low114 Ų114145.8 Ų145.880%0.79781%0.806SS**  trans-63.8160.5161.5-520000111.9
547P39.8Very low30Very low119 Ų119146.4 Ų146.477%0.77381%0.814SS**  -141.3147.486.621.70.6000116.4
548V32.3Very low30.5Very low146 Ų146143 Ų14389%0.88581%0.806SS**  trans56.781.5146.4-168.40000117.2
549G25.9Very low31.3Very low72 Ų72133.2 Ų133.274%0.74278%0.777SS**  trans-98.7135.416500000112.2
550R29.3Very low32.8Very low235 Ų235133.8 Ų133.889%0.88777%0.771SS**  trans-43138.3164.7-73.7172169177.4-4111.1L552R550-L552 PolarHBondContact O-N 3.27Å; R550-L552 VanDerWaalsContact O-N 3.13Å
551P29.5Very low34.3Very low126 Ų126126 Ų12682%0.81873%0.731SS**  trans-69.2115.1171.4-1.615.4000109Y553P551-Y553 PolarHBondContact O-N 2.88Å
552L28.7Very low36Very low166 Ų166122.1 Ų122.187%0.86971%0.709SS**  trans-61.9122.8159.6-72168.6000107.1R550 L554R550-L552 PolarHBondContact O-N 3.27Å; R550-L552 VanDerWaalsContact O-N 3.13Å; L552-L554 PolarHBondContact O-N 2.95Å
553Y28.3Very low37.2Very low221 Ų221121.5 Ų121.587%0.86770%0.699SS**  trans-53.4105.6173.6-124.9-101.5000108.9P551P551-Y553 PolarHBondContact O-N 2.88Å
554L29.2Very low38.4Very low155 Ų155123 Ų12381%0.81270%0.701SS**PPolyproline II helixtrans-64.6130.3158.4-81.1158.5000106.6L552L552-L554 PolarHBondContact O-N 2.95Å
555P28.3Very low40.4Very low107 Ų107119.8 Ų119.870%0.69568%0.675SS**PPolyproline II helixtrans-60.4132.9172.316.2-15.4000107.7D557P555-D557 PolarHBondContact O-N 3.31Å
556P33.8Very low42.7Very low111 Ų111116.7 Ų116.772%0.72165%0.645SS**PPolyproline II helixtrans-58.3133.4179.722.7-31.4000109.2K558P556-K558 PolarHBondContact O-N 3.16Å; P556-K558 VanDerWaalsContact O-N 3.16Å
557D32.5Very low45.1Very low165 Ų165112.6 Ų112.688%0.88262%0.618SS**  trans-44.5124171.9-99.4-37.5000109P555 A559P555-D557 PolarHBondContact O-N 3.31Å; D557-A559 PolarHBondContact O-N 2.95Å
558K39.7Very low47Very low170 Ų170108.6 Ų108.674%0.73959%0.589SS**  trans-58.9111.4178.2-70176-178.5173.60106.3P556 V560P556-K558 PolarHBondContact O-N 3.16Å; P556-K558 VanDerWaalsContact O-N 3.16Å; K558-V560 HydrophobicContact CB-CG2 4.06Å; K558-V560 WeakPolarHBondContact O-CG2 2.85Å; K558-V560 PolarHBondContact O-N 2.73Å
559A45.1Very low49Very low36 Ų36106.1 Ų106.130%0.29856%0.564SS.*  trans-61.288.7169.200000108.8A478 D557A478-A559 HydrophobicContact CB-CB 3.88Å; D557-A559 PolarHBondContact O-N 2.95Å
560V56.4Low51.3Low101 Ų101106.7 Ų106.761%0.61255%0.547SS*.  trans-93.3127.7174.6176.60000106K558 S562K558-V560 HydrophobicContact CB-CG2 4.06Å; K558-V560 WeakPolarHBondContact O-CG2 2.85Å; K558-V560 PolarHBondContact O-N 2.73Å; V560-S562 PolarHBondContact O-N 3.29Å
561L63.1Low53.5Low8 Ų895.9 Ų95.94%0.04251%0.507CS..  trans-54.1128.1170.3-75171.9000108.9L396 Q397 F399 F476 L563L396-L561 HydrophobicContact CD2-CD2 4.18Å; Q397-L561 VanDerWaalsContact CD-CD2 3.48Å; Q397-L561 HydrophobicContact CG-CD2 4.41Å; Q397-L561 VanDerWaalsContact OE1-CD2 3.31Å; F399-L561 HydrophobicContact CE1-CD1 4.25Å; F399-L561 HydrophobicContact CE1-CD2 4.18Å; F399-L561 HydrophobicContact CZ-CD2 4.37Å; F476-L561 HydrophobicContact CD1-CD1 3.63Å; F476-L561 HydrophobicContact CD1-CD2 4.47Å; F476-L561 HydrophobicContact CD1-CG 4.16Å; F476-L561 HydrophobicContact CD2-CD2 4.39Å; F476-L561 HydrophobicContact CD2-CG 4.42Å; F476-L561 HydrophobicContact CE1-CD1 3.14Å; F476-L561 HydrophobicContact CE1-CD2 4.36Å; F476-L561 HydrophobicContact CE1-CG 3.59Å; F476-L561 HydrophobicContact CE2-CD1 4.34Å; F476-L561 HydrophobicContact CE2-CD2 4.23Å; F476-L561 HydrophobicContact CE2-CG 3.86Å; F476-L561 HydrophobicContact CG-CD1 4.44Å; F476-L561 HydrophobicContact CZ-CD1 3.56Å; F476-L561 HydrophobicContact CZ-CD2 4.23Å; F476-L561 HydrophobicContact CZ-CG 3.42Å; F476-L561 VanDerWaalsContact CZ-CG 3.42Å; L561-L563 PolarHBondContact O-N 3.36Å
562S64Low56Low44 Ų4494.9 Ų94.931%0.30849%0.49SS..  trans-71.3100.3171.724.60000108.2V560 D564 K565V560-S562 PolarHBondContact O-N 3.29Å; S562-D564 PolarHBondContact O-N 3.14Å; S562-K565 WeakPolarHBondContact O-CB 3.29Å; S562-K565 PolarHBondContact O-N 3.19Å; S562-K565 VanDerWaalsContact OG-CD 3.29Å; S562-K565 WeakPolarHBondContact OG-CD 3.27Å; S562-K565 WeakPolarHBondContact OG-CE 3.34Å
563L59.7Low58.5Low102 Ų10287 Ų8753%0.53445%0.448SS..G310 helixtrans-58.4-29-179.8-67.5175.7000111.8L561 K565 I566L561-L563 PolarHBondContact O-N 3.36Å; L563-K565 PolarHBondContact O-N 2.84Å; L563-I566 HydrophobicContact CD2-CD1 4.43Å; L563-I566 PolarHBondContact O-N 3.24Å
564D60.5Low61.1Low149 Ų14980.2 Ų80.280%0.79743%0.427SS*.G310 helixtrans-62.6-14.5176-48-37.6000113.2S562S562-D564 PolarHBondContact O-N 3.14Å
565K70.1Confident63.7Low75 Ų7573 Ų7333%0.32639%0.389SS..G310 helixtrans-96.11.8176.7-57.8-172.5-173.5178.80113.4P368 C369 F370 L396 S562 L563P368-K565 CarbonylContact C-O 3.55Å; P368-K565 WeakPolarHBondContact CA-O 3.46Å; C369-K565 PolarHBondContact N-O 2.93Å; F370-K565 PolarHBondContact N-O 3.4Å; L396-K565 HydrophobicContact CD1-CB 3.98Å; L396-K565 HydrophobicContact CD1-CD 3.8Å; S562-K565 WeakPolarHBondContact O-CB 3.29Å; S562-K565 PolarHBondContact O-N 3.19Å; S562-K565 VanDerWaalsContact OG-CD 3.29Å; S562-K565 WeakPolarHBondContact OG-CD 3.27Å; S562-K565 WeakPolarHBondContact OG-CE 3.34Å; L563-K565 PolarHBondContact O-N 2.84Å
566I73.6Confident66.5Low29 Ų2970.5 Ų70.515%0.14937%0.372CS..EExtended strand (participates in β ladder)trans-111.6120.5-179-60.8177.6000108.7F370 L396 L474 F518 L563F370-I566 HydrophobicContact CB-CG1 4.19Å; F370-I566 HydrophobicContact CD1-CG2 4.04Å; F370-I566 CarbonylContact O-C 3.6Å; F370-I566 WeakPolarHBondContact O-CA 3.49Å; L396-I566 HydrophobicContact CD2-CG1 4.26Å; L474-I566 HydrophobicContact CD1-CD1 4.21Å; F518-I566 HydrophobicContact CE1-CG2 3.96Å; F518-I566 HydrophobicContact CE2-CG2 4.07Å; F518-I566 HydrophobicContact CZ-CG2 3.64Å; L563-I566 HydrophobicContact CD2-CD1 4.43Å; L563-I566 PolarHBondContact O-N 3.24Å
567A76.7Confident68.7Low28 Ų2872 Ų7223%0.23137%0.369CS..EExtended strand (participates in β ladder)trans-119.3140.8175.500000111.8P368 F370 V371 M372P368-A567 HydrophobicContact CB-CB 3.44Å; P368-A567 VanDerWaalsContact CB-CB 3.44Å; P368-A567 HydrophobicContact CG-CB 3.48Å; P368-A567 VanDerWaalsContact CG-CB 3.48Å; F370-A567 PolarHBondContact O-N 3.07Å; V371-A567 CarbonylContact C-O 3.6Å; V371-A567 WeakPolarHBondContact CA-O 3.14Å; M372-A567 PolarHBondContact N-O 3.09Å
568K79.4Confident70.6Confident34 Ų3467.4 Ų67.415%0.14835%0.349CS..EExtended strand (participates in β ladder)trans-126115.8173.2177.9177.1157.2-153.30108.5M372 S467 M470 F518M372-K568 HydrophobicContact CB-CG 4.43Å; M372-K568 HydrophobicContact CE-CD 3.73Å; M372-K568 HydrophobicContact CE-CG 3.75Å; M372-K568 HydrophobicContact SD-CD 4.46Å; M372-K568 HydrophobicContact SD-CG 4.45Å; S467-K568 WeakPolarHBondContact O-CE 3.44Å; S467-K568 PolarHBondContact O-NZ 2.86Å; M470-K568 WeakPolarHBondContact O-CE 3.35Å; M470-K568 PolarHBondContact O-NZ 3.02Å; F518-K568 HydrophobicContact CE2-CD 4.49Å
569R75.6Confident71.9Confident95 Ų9565.5 Ų65.536%0.35835%0.351SS..  trans-83.3143.6-177.3-57.9-164.2-177.8179.80.7110.9A233 V371 M372 T373A233-R569 PolarHBondContact O-NH1 2.97Å; V371-R569 HydrophobicContact CG1-CG 4.4Å; M372-R569 PolarHBondContact O-N 3.36Å; T373-R569 HydrophobicContact CG2-CG 4.07Å
570E73.7Confident72Confident83 Ų8376.7 Ų76.739%0.38839%0.393SS..  trans-69144.3177.1-63.9-179.6-166.800111.4E465 S467 H520 K572E465-E570 WeakPolarHBondContact OE1-CG 3.27Å; S467-E570 VanDerWaalsContact OG-CA 3.25Å; S467-E570 WeakPolarHBondContact OG-CA 3.16Å; H520-E570 IonicContact NE2-OE1 3.9Å; E570-K572 WeakPolarHBondContact OE2-CE 3.46Å; E570-K572 IonicContact OE2-NZ 2.83Å; E570-K572 PolarHBondContact OE2-NZ 3.48Å
571C76Confident72.8Confident8 Ų875.5 Ų75.55%0.05438%0.382CS..  trans-130115.3170.2179.40000108.7A374 E465 L466 S467A374-C571 HydrophobicContact CB-CB 3.5Å; A374-C571 VanDerWaalsContact CB-CB 3.5Å; E465-C571 CarbonylContact C-O 3.52Å; E465-C571 WeakPolarHBondContact CA-O 3.12Å; L466-C571 PolarHBondContact N-O 3.01Å; L466-C571 VanDerWaalsContact N-O 3.13Å; S467-C571 PolarHBondContact OG-N 3.32Å
572K82Confident73.3Confident105 Ų10579 Ų7946%0.45740%0.4SS..EExtended strand (participates in β ladder)trans-110.7131.1178.9-64.7-179.8-176.7165.80109L463 F464 E465 E570L463-K572 HydrophobicContact CD1-CB 4.02Å; L463-K572 HydrophobicContact CD2-CD 4.38Å; L463-K572 HydrophobicContact CG-CB 4.42Å; F464-K572 CarbonylContact O-C 3.53Å; F464-K572 VanDerWaalsContact O-CA 3.29Å; F464-K572 WeakPolarHBondContact O-CA 3.27Å; E465-K572 HydrophobicContact CB-CG 4.24Å; E465-K572 HydrophobicContact CG-CG 4.05Å; E465-K572 WeakPolarHBondContact OE2-CE 3.49Å; E465-K572 IonicContact OE2-NZ 3.7Å; E570-K572 WeakPolarHBondContact OE2-CE 3.46Å; E570-K572 IonicContact OE2-NZ 2.83Å; E570-K572 PolarHBondContact OE2-NZ 3.48Å
573V80.2Confident73.8Confident0 Ų080.9 Ų80.90%041%0.405CS..EExtended strand (participates in β ladder)trans-120.3125.8-179.3-178.30000108.4C376 V380 F386 F464 L466 V575C376-V573 HydrophobicContact CB-CG2 3.86Å; V380-V573 HydrophobicContact CB-CG1 4.31Å; V380-V573 HydrophobicContact CG2-CG1 3.7Å; F386-V573 HydrophobicContact CE2-CB 4.49Å; F386-V573 HydrophobicContact CE2-CG1 4.1Å; F386-V573 HydrophobicContact CE2-CG2 4.17Å; F386-V573 HydrophobicContact CZ-CG1 4.3Å; F464-V573 PolarHBondContact N-O 2.81Å; F464-V573 PolarHBondContact O-N 3.35Å; L466-V573 HydrophobicContact CD1-CB 4.31Å; L466-V573 HydrophobicContact CD1-CG2 3.62Å; L466-V573 HydrophobicContact CG-CG2 4.44Å; V573-V575 HydrophobicContact CG1-CG2 4.4Å
574L83.6Confident74.6Confident79 Ų7979.7 Ų79.741%0.41440%0.397SS..EExtended strand (participates in β ladder)trans-88120.2174.6179.565000109.1S378 P379 V380 L463 V576S378-L574 PolarHBondContact OG-N 3.31Å; P379-L574 CarbonylContact C-O 3.54Å; P379-L574 VanDerWaalsContact CA-O 3.29Å; P379-L574 WeakPolarHBondContact CA-O 3.39Å; P379-L574 HydrophobicContact CB-CB 4.41Å; P379-L574 HydrophobicContact CB-CD2 4.33Å; P379-L574 HydrophobicContact CB-CG 4.41Å; V380-L574 PolarHBondContact N-O 3.13Å; L463-L574 HydrophobicContact CD1-CB 4.32Å; L574-V576 HydrophobicContact CD2-CG1 4.34Å; L574-V576 HydrophobicContact CG-CG1 4.17Å
575V83.2Confident75.5Confident3 Ų375.4 Ų75.42%0.01837%0.372CS..EExtended strand (participates in β ladder)trans-106.2120.5177.7-176.40000109.6V380 T382 A458 R460 T461 G462 F464 V573V380-V575 CarbonylContact O-C 3.53Å; V380-V575 VanDerWaalsContact O-CA 3.24Å; V380-V575 WeakPolarHBondContact O-CA 3.47Å; T382-V575 HydrophobicContact CG2-CG1 3.68Å; A458-V575 HydrophobicContact CB-CB 4.2Å; A458-V575 HydrophobicContact CB-CG1 3.77Å; A458-V575 HydrophobicContact CB-CG2 3.57Å; R460-V575 WeakPolarHBondContact O-CG1 3.29Å; T461-V575 WeakPolarHBondContact CA-O 3.49Å; T461-V575 WeakPolarHBondContact CB-O 3.38Å; G462-V575 PolarHBondContact N-O 2.85Å; G462-V575 PolarHBondContact O-N 2.87Å; F464-V575 HydrophobicContact CD2-CB 4.24Å; F464-V575 HydrophobicContact CD2-CG2 3.65Å; F464-V575 HydrophobicContact CE2-CB 4.04Å; F464-V575 HydrophobicContact CE2-CG2 3.88Å; V573-V575 HydrophobicContact CG1-CG2 4.4Å
576V87.4Confident75.9Confident56 Ų5675.4 Ų75.434%0.33938%0.375SS..EExtended strand (participates in β ladder)trans-108.9158.4-176.7-62.50000111.3P379 V380 R381 T382 T461 L574P379-V576 HydrophobicContact CB-CG1 4.06Å; P379-V576 HydrophobicContact CB-CG2 4.31Å; V380-V576 WeakPolarHBondContact O-CG2 3.31Å; V380-V576 PolarHBondContact O-N 3.26Å; R381-V576 WeakPolarHBondContact CA-O 3.5Å; T382-V576 PolarHBondContact N-O 2.99Å; T461-V576 VanDerWaalsContact CG2-C 3.49Å; L574-V576 HydrophobicContact CD2-CG1 4.34Å; L574-V576 HydrophobicContact CG-CG1 4.17Å
577E81.3Confident76Confident142 Ų14278.7 Ų78.766%0.66439%0.391SS*.PPolyproline II helixtrans-61.9150174.5-70.3-163.4162.100110.5T461 V579T461-E577 HydrophobicContact CG2-CB 4.28Å; T461-E577 HydrophobicContact CG2-CG 3.51Å; T461-E577 VanDerWaalsContact CG2-N 3.34Å; E577-V579 PolarHBondContact O-N 2.95Å
578P71.4Confident76Confident69 Ų6982.6 Ų82.645%0.44840%0.404SS..PPolyproline II helixtrans-67.7122.6172.625.4-19.3000107.3T382 K580T382-P578 WeakPolarHBondContact OG1-CD 3.44Å; P578-K580 PolarHBondContact O-N 2.91Å; P578-K580 VanDerWaalsContact O-N 3.12Å
579V67.3Low75.7Confident129 Ų12986.7 Ų86.778%0.78243%0.425SS*.PPolyproline II helixtrans-60.1117.8172-175.30000106.7E577E577-V579 PolarHBondContact O-N 2.95Å
580K46.5Very low75.7Confident271 Ų27185.9 Ų85.9100%1.17843%0.431SS*.  trans-66.30178.4-80.3-176.1178175.90111.8P578P578-K580 PolarHBondContact O-N 2.91Å; P578-K580 VanDerWaalsContact O-N 3.12Å

Retrieved 580 of 580 residues in 1490.5 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).