A0A096MU02_PAPAN Loading...

POC1 centriolar protein homolog B

Plays an important role in centriole assembly and/or stability and ciliogenesis. Involved in early steps of centriole duplication, as well as in the later steps of centriole length control. Acts in concert with POC1A to ensure centriole integrity and proper mitotic spindle formation. Required for primary cilia formation, ciliary length and also cell proliferation. Required for retinal integrity. Acts as a positive regulator of centriole elongation.

AlphaFold DB (A0A2K5YHQ6), UniProt , Accession A0A096MU02, Species PAPAN (Papio anubis, Olive baboon), Gene POC1B, Length 478 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
1M32.7Very low63.7Low246 Ų246103.5 Ų103.5100%1.21261%0.609SS**  0119.70-61.3169-176.700106.3
2A31.3Very low65.9Low103 Ų103103.8 Ų103.885%0.85159%0.592SS**PPolyproline II helixtrans-75.4134.1164.400000107.3
3S39.3Very low67.9Low100 Ų100106.7 Ų106.770%0.69959%0.589SS**PPolyproline II helixtrans-62.6136.5164.744.60000108.4T5S3-T5 PolarHBondContact O-N 3.35Å
4A42.7Very low69.5Low94 Ų94101.1 Ų101.178%0.77756%0.556SS**PPolyproline II helixtrans-56.2124.6165.700000107.9E6A4-E6 PolarHBondContact O-N 3.07Å
5T56.7Low70.9Confident98 Ų98102.7 Ų102.760%0.60156%0.555SS**  trans-75.893.1-176.246.70000108.7S3 N300S3-T5 PolarHBondContact O-N 3.35Å; T5-N300 PolarHBondContact O-ND2 3.05Å
6E64.8Low71.9Confident147 Ų14798.5 Ų98.569%0.68754%0.544SS*.  trans-42.2142.9179-59.3176.5146.900111.7A4 N300A4-E6 PolarHBondContact O-N 3.07Å; E6-N300 WeakPolarHBondContact O-CB 3.37Å; E6-N300 PolarHBondContact O-ND2 3.23Å
7D81.5Confident73.2Confident94 Ų9493.4 Ų93.450%0.50352%0.515SS..  trans-59.8153.4178.6-71-49000112.2V9 Y264D7-V9 WeakPolarHBondContact O-CG2 3.48Å; D7-V9 PolarHBondContact O-N 3.29Å; D7-Y264 HydrophobicContact CB-CE1 4.31Å; D7-Y264 WeakPolarHBondContact OD1-CE1 3.49Å; D7-Y264 VanDerWaalsContact OD1-CZ 3.27Å; D7-Y264 PolarHBondContact OD1-OH 3.27Å
8P83.8Confident74.3Confident12 Ų1297.9 Ų97.98%0.07853%0.529CS..  trans-60.6107.4-173.123.2-35000113.3Y264 L266 F285 R298P8-Y264 HydrophobicContact CG-CD1 4.28Å; P8-Y264 HydrophobicContact CG-CD2 3.84Å; P8-Y264 HydrophobicContact CG-CE1 4.31Å; P8-Y264 HydrophobicContact CG-CE2 3.87Å; P8-Y264 HydrophobicContact CG-CG 4.05Å; P8-L266 HydrophobicContact CG-CD1 4.43Å; P8-L266 HydrophobicContact CG-CD2 4.14Å; P8-F285 HydrophobicContact CB-CE1 4.25Å; P8-R298 VanDerWaalsContact CA-O 3.29Å; P8-R298 WeakPolarHBondContact CA-O 3.34Å; P8-R298 WeakPolarHBondContact CB-O 3.18Å
9V88.1Confident75.4Confident84 Ų8494.3 Ų94.351%0.50951%0.513SS..  trans-90.8141.6-174.2-167.90000111.9D7 E11 W297 R298D7-V9 WeakPolarHBondContact O-CG2 3.48Å; D7-V9 PolarHBondContact O-N 3.29Å; V9-E11 PolarHBondContact O-N 3.23Å; V9-W297 CarbonylContact O-C 3.56Å; V9-W297 WeakPolarHBondContact O-CA 3.31Å; V9-R298 PolarHBondContact O-N 2.97Å
10L90.9Very high76.4Confident66 Ų6690.3 Ų90.335%0.34649%0.493SS..EExtended strand (participates in β ladder)trans-69.9110.3166.2-179.270.2000110.2L295 W297L10-L295 HydrophobicContact CD1-CB 3.74Å; L10-L295 HydrophobicContact CD1-CD2 4.09Å; L10-L295 HydrophobicContact CD1-CG 4.34Å; L10-W297 HydrophobicContact CB-CD2 4.37Å; L10-W297 HydrophobicContact CB-CE3 3.87Å; L10-W297 HydrophobicContact CB-CH2 4.44Å; L10-W297 HydrophobicContact CB-CZ3 3.91Å; L10-W297 HydrophobicContact CD1-CD2 4Å; L10-W297 HydrophobicContact CD1-CE3 4.34Å; L10-W297 HydrophobicContact CD1-CG 4.42Å; L10-W297 HydrophobicContact CD1-CZ2 4.25Å
11E88.7Confident77.4Confident94 Ų9486 Ų8644%0.43947%0.47SS..EExtended strand (participates in β ladder)trans-76.4-46.7175.7-65.2-158.8148.500112.2V9 L296 R298V9-E11 PolarHBondContact O-N 3.23Å; E11-L296 PolarHBondContact N-O 3.38Å; E11-R298 HydrophobicContact CG-CB 3.92Å
12R90Very high80.5Confident108 Ų10875.5 Ų75.541%0.40842%0.42SS..EExtended strand (participates in β ladder)trans-153.7152.8-169.4-62.3-173.8-175.1163.78.4111F14 F47 L296R12-F14 HydrophobicContact CB-CZ 4.47Å; R12-F47 PolarHBondContact NH1-O 2.89Å; R12-L296 HydrophobicContact CB-CB 4.44Å; R12-L296 PolarHBondContact N-O 3.02Å; R12-L296 PolarHBondContact O-N 2.83Å
13Y91.6Very high83.5Confident141 Ų14171.4 Ų71.455%0.55339%0.385SS*.EExtended strand (participates in β ladder)trans-116.5150.1161.566.8-91000110.3K15 V294Y13-K15 HydrophobicContact CD2-CD 4.22Å; Y13-K15 HydrophobicContact CD2-CG 4.17Å; Y13-K15 HydrophobicContact CE2-CD 4.06Å; Y13-K15 HydrophobicContact CE2-CG 4.41Å; Y13-V294 CarbonylContact C-O 3.55Å; Y13-V294 VanDerWaalsContact CA-O 3.27Å; Y13-V294 WeakPolarHBondContact CA-O 3.4Å
14F91.1Very high86.3Confident29 Ų2966.9 Ų66.913%0.12735%0.353CS..EExtended strand (participates in β ladder)trans-118.8137.5172-50.9-81.3000110.2R12 W45 F47 V294 L296R12-F14 HydrophobicContact CB-CZ 4.47Å; F14-W45 HydrophobicContact CB-CD2 4.03Å; F14-W45 HydrophobicContact CB-CE3 3.8Å; F14-W45 HydrophobicContact CB-CH2 3.88Å; F14-W45 HydrophobicContact CB-CZ2 4.07Å; F14-W45 HydrophobicContact CB-CZ3 3.73Å; F14-W45 HydrophobicContact CD1-CD2 4.16Å; F14-W45 AromaticContact CD1-CE3 3.6Å; F14-W45 HydrophobicContact CD1-CE3 3.6Å; F14-W45 HydrophobicContact CD1-CZ3 4.11Å; F14-W45 HydrophobicContact CE1-CE3 4.4Å; F14-W45 HydrophobicContact CG-CD2 4.03Å; F14-W45 AromaticContact CG-CE3 3.84Å; F14-W45 HydrophobicContact CG-CE3 3.84Å; F14-W45 HydrophobicContact CG-CZ3 4.25Å; F14-F47 HydrophobicContact CE2-CE1 4.2Å; F14-F47 HydrophobicContact CZ-CD1 4.01Å; F14-F47 HydrophobicContact CZ-CE1 4.02Å; F14-V294 HydrophobicContact CB-CB 4.09Å; F14-V294 HydrophobicContact CB-CG2 4.41Å; F14-V294 HydrophobicContact CD2-CB 4.06Å; F14-V294 HydrophobicContact CD2-CG1 4.13Å; F14-V294 PolarHBondContact N-O 2.97Å; F14-V294 PolarHBondContact O-N 2.98Å; F14-L296 HydrophobicContact CE2-CB 4.02Å; F14-L296 HydrophobicContact CE2-CD2 4.15Å; F14-L296 HydrophobicContact CZ-CD2 4.26Å
15K89.8Confident88.9Confident124 Ų12462.9 Ų62.954%0.53932%0.318SS..  trans-127.5140.4173.6-72.5177.2177.1171.60108.6Y13 Q293Y13-K15 HydrophobicContact CD2-CD 4.22Å; Y13-K15 HydrophobicContact CD2-CG 4.17Å; Y13-K15 HydrophobicContact CE2-CD 4.06Å; Y13-K15 HydrophobicContact CE2-CG 4.41Å; K15-Q293 VanDerWaalsContact CE-CD 3.44Å; K15-Q293 HydrophobicContact CG-CG 4.42Å
16G87.5Confident90.7Very high36 Ų3658.2 Ų58.237%0.37129%0.29SS..  trans161.6-21.9-178.600000115.2
17H93.9Very high92.1Very high11 Ų1151.3 Ų51.35%0.05126%0.258CS..  trans-67.9154.1160.9-80.9-64.2000110.3T35 S37 D39 F41H17-T35 PolarHBondContact CD2-OG1 2.84Å; H17-T35 PolarHBondContact NE2-OG1 3.37Å; H17-S37 VanDerWaalsContact CE1-CB 3.44Å; H17-S37 WeakPolarHBondContact CE1-CB 3.43Å; H17-S37 WeakPolarHBondContact ND1-CB 3.33Å; H17-D39 WeakPolarHBondContact CA-OD2 3.19Å; H17-D39 VanDerWaalsContact CB-OD2 3.25Å; H17-D39 WeakPolarHBondContact CB-OD2 3.46Å; H17-D39 IonicContact CE1-OD1 2.75Å; H17-D39 IonicContact CG-OD2 2.85Å; H17-D39 IonicContact ND1-OD1 2.71Å; H17-D39 PolarHBondContact ND1-OD1 3.09Å; H17-D39 IonicContact ND1-OD2 3.38Å; H17-D39 PolarHBondContact ND1-OD2 2.8Å; H17-F41 AromaticContact CE1-CD2 3.98Å; H17-F41 AromaticContact CE1-CE2 3.95Å; H17-F41 AromaticContact ND1-CD2 3.9Å; H17-F41 AromaticContact ND1-CE2 3.47Å; H17-F41 WeakPolarHBondContact ND1-CE2 3.11Å
18K93.4Very high92.5Very high176 Ų17647.7 Ų47.777%0.76524%0.239SC*.SBendtrans-101.8-8.3179.5-68.7-170.9172.8-165.90113.7D39K18-D39 HydrophobicContact CB-CB 4Å; K18-D39 PolarHBondContact N-OD2 2.9Å
19A95.4Very high92.6Very high28 Ų2851 Ų5123%0.23126%0.257CS..SBendtrans-149.2178.2-174.300000110.7I21 S37 W38 D39A19-I21 PolarHBondContact O-N 3.31Å; A19-S37 PolarHBondContact O-OG 3.43Å; A19-W38 HydrophobicContact CB-CB 3.8Å; A19-D39 HydrophobicContact CB-CB 4.25Å
20A95.5Very high92.5Very high14 Ų1448.7 Ų48.712%0.11625%0.249CC..  trans-52.8135.1-178.600000112.8S37 W38 F274A20-S37 WeakPolarHBondContact O-CA 3.31Å; A20-S37 PolarHBondContact O-OG 3.48Å; A20-W38 HydrophobicContact CB-CD2 4.41Å; A20-W38 HydrophobicContact CB-CG 4.44Å; A20-W38 PolarHBondContact O-N 3.34Å; A20-F274 HydrophobicContact CB-CD2 4.18Å; A20-F274 HydrophobicContact CB-CE2 3.8Å
21I97.1Very high92.4Very high0 Ų051.5 Ų51.50%026%0.259CS..EExtended strand (participates in β ladder)trans-84.8125.6179.1-53.5-167.9000108.5A19 A36 F274 T275 G289 Q293 V294A19-I21 PolarHBondContact O-N 3.31Å; I21-A36 CarbonylContact C-O 3.57Å; I21-A36 WeakPolarHBondContact CA-O 3.47Å; I21-A36 VanDerWaalsContact CG2-O 3.3Å; I21-A36 WeakPolarHBondContact CG2-O 3.47Å; I21-F274 WeakPolarHBondContact O-CB 3.5Å; I21-T275 HydrophobicContact CG2-CG2 4.15Å; I21-G289 PolarHBondContact N-O 2.74Å; I21-Q293 WeakPolarHBondContact CD1-O 3.24Å; I21-V294 HydrophobicContact CD1-CB 4.4Å; I21-V294 HydrophobicContact CD1-CG2 3.33Å
22T96.3Very high92.6Very high26 Ų2648.4 Ų48.416%0.1624%0.244CC..EExtended strand (participates in β ladder)trans-95.6-34.2-173.739.50000113.9A36 V62 V63 T275T22-A36 PolarHBondContact N-O 3.08Å; T22-A36 VanDerWaalsContact OG1-C 3.29Å; T22-A36 PolarHBondContact OG1-O 2.59Å; T22-V62 HydrophobicContact CG2-CG1 4.44Å; T22-V63 WeakPolarHBondContact CB-O 3.34Å; T22-V63 WeakPolarHBondContact CG2-O 3.26Å; T22-V63 PolarHBondContact OG1-O 3.03Å; T22-T275 WeakPolarHBondContact O-CB 3.49Å
23S96.3Very high92.8Very high17 Ų1743.3 Ų43.312%0.11923%0.225CC..EExtended strand (participates in β ladder)trans-160.8144.6-170.2174.20000109.8A36 S65 V66 T275S23-A36 PolarHBondContact O-N 2.86Å; S23-S65 WeakPolarHBondContact OG-CA 3.16Å; S23-V66 WeakPolarHBondContact O-CG1 3.34Å; S23-V66 PolarHBondContact OG-N 3.33Å; S23-V66 PolarHBondContact OG-O 3.07Å; S23-T275 WeakPolarHBondContact CA-OG1 3.23Å
24L96.6Very high93.1Very high6 Ų636.6 Ų36.63%0.03120%0.198CC..EExtended strand (participates in β ladder)trans-139.6151.6173.56490.6000110.2F26 L33 A34 T35 T275 S277 A286 S287L24-F26 HydrophobicContact CD1-CE2 4.49Å; L24-L33 HydrophobicContact CD1-CD1 4.13Å; L24-A34 VanDerWaalsContact CA-O 3.23Å; L24-A34 WeakPolarHBondContact CA-O 3.4Å; L24-T35 HydrophobicContact CB-CG2 3.89Å; L24-T275 HydrophobicContact CD2-CG2 3.75Å; L24-T275 HydrophobicContact CG-CG2 4.06Å; L24-T275 PolarHBondContact N-OG1 3.05Å; L24-S277 VanDerWaalsContact CD1-CB 3.43Å; L24-A286 HydrophobicContact CD1-CB 3.99Å; L24-A286 WeakPolarHBondContact CD1-O 3.3Å; L24-A286 HydrophobicContact CD2-CB 4.34Å; L24-S287 VanDerWaalsContact CD2-C 3.49Å
25D96.9Very high93.3Very high9 Ų935.2 Ų35.25%0.04819%0.192CC..EExtended strand (participates in β ladder)trans-148.1146172.6-17435.4000111.6L33 A34 Q67 F68 K280D25-L33 WeakPolarHBondContact O-CD1 3.38Å; D25-A34 PolarHBondContact N-O 2.69Å; D25-A34 PolarHBondContact O-N 2.88Å; D25-Q67 WeakPolarHBondContact OD2-CG 3.32Å; D25-F68 HydrophobicContact CB-CD2 4.32Å; D25-F68 WeakPolarHBondContact O-CE2 3.36Å; D25-F68 PolarHBondContact OD2-N 2.76Å; D25-K280 WeakPolarHBondContact OD1-CE 3.47Å; D25-K280 IonicContact OD1-NZ 2.67Å; D25-K280 PolarHBondContact OD1-NZ 3.25Å
26F95.4Very high93.7Very high0 Ų029.3 Ų29.30%017%0.167CC..EExtended strand (participates in β ladder)trans-87.9135.5177.4-79.1-98.7000111.3L24 L33 F47 S277 L284 A286 L296L24-F26 HydrophobicContact CD1-CE2 4.49Å; F26-L33 HydrophobicContact CD1-CD1 4.1Å; F26-L33 HydrophobicContact CD2-CD1 3.72Å; F26-L33 HydrophobicContact CE1-CD1 4.15Å; F26-L33 HydrophobicContact CE2-CD1 3.75Å; F26-L33 HydrophobicContact CG-CD1 3.9Å; F26-L33 HydrophobicContact CZ-CD1 3.99Å; F26-F47 HydrophobicContact CD1-CE2 4.12Å; F26-F47 HydrophobicContact CD1-CZ 4.12Å; F26-F47 AromaticContact CE1-CE2 3.92Å; F26-F47 HydrophobicContact CE1-CE2 3.92Å; F26-F47 AromaticContact CE1-CZ 3.7Å; F26-F47 HydrophobicContact CE1-CZ 3.7Å; F26-S277 WeakPolarHBondContact CE2-O 3.46Å; F26-L284 HydrophobicContact CE1-CB 4.18Å; F26-L284 HydrophobicContact CE1-CD1 4.45Å; F26-L284 HydrophobicContact CZ-CB 4.27Å; F26-A286 HydrophobicContact CE2-CB 3.67Å; F26-A286 HydrophobicContact CZ-CB 3.64Å; F26-L296 HydrophobicContact CE1-CD1 3.91Å; F26-L296 HydrophobicContact CZ-CD1 3.7Å
27S93.9Very high94.1Very high2 Ų227.6 Ų27.61%0.01415%0.149CC..  trans-58.1141.6169.658.60000111.4N29 G30 K31 Q32 F68S27-N29 PolarHBondContact O-N 3.07Å; S27-N29 PolarHBondContact OG-OD1 2.91Å; S27-G30 PolarHBondContact O-N 3.05Å; S27-K31 PolarHBondContact OG-N 3.4Å; S27-Q32 WeakPolarHBondContact CB-O 3.42Å; S27-Q32 PolarHBondContact N-O 2.92Å; S27-Q32 WeakPolarHBondContact OG-CA 3.32Å; S27-Q32 PolarHBondContact OG-N 2.83Å; S27-Q32 PolarHBondContact OG-O 2.86Å; S27-F68 VanDerWaalsContact N-CE2 3.34Å
28P89.3Confident94.2Very high18 Ų1832.7 Ų32.712%0.11717%0.168CC..THydrogen-bonded Turntrans-59.4-10.5178.5-27.635000115.8F68 S69 P70 Y306P28-F68 HydrophobicContact CG-CB 4.42Å; P28-S69 VanDerWaalsContact CG-O 3.23Å; P28-S69 WeakPolarHBondContact CG-O 3.4Å; P28-P70 WeakPolarHBondContact CB-O 3.32Å; P28-P70 WeakPolarHBondContact CG-O 3.22Å; P28-Y306 HydrophobicContact CB-CD1 4.27Å; P28-Y306 HydrophobicContact CB-CE1 3.56Å; P28-Y306 WeakPolarHBondContact O-CD1 2.94Å
29N86.8Confident94.2Very high83 Ų8325.3 Ų25.344%0.44414%0.137SC..THydrogen-bonded Turntrans-101.11.1178.367.143.4000113.8S27 K31S27-N29 PolarHBondContact O-N 3.07Å; S27-N29 PolarHBondContact OG-OD1 2.91Å; N29-K31 VanDerWaalsContact C-N 3.27Å; N29-K31 PolarHBondContact O-N 3.28Å; N29-K31 VanDerWaalsContact OD1-CB 3.31Å; N29-K31 WeakPolarHBondContact OD1-CB 3.43Å; N29-K31 PolarHBondContact OD1-N 3.12Å
30G85.3Confident94.2Very high34 Ų3426.1 Ų26.135%0.35114%0.139SC..SBendtrans71.75.6177.200000116S27 F47S27-G30 PolarHBondContact O-N 3.05Å; G30-F47 VanDerWaalsContact O-CD2 3.23Å; G30-F47 WeakPolarHBondContact O-CD2 3.13Å; G30-F47 WeakPolarHBondContact O-CE2 3.42Å
31K88.9Confident94.1Very high126 Ų12626.1 Ų26.155%0.54814%0.137SC..SBendtrans-107-11.8-169.7-64.3160.9-170.1-179.30114.3S27 N29 N46 F47S27-K31 PolarHBondContact OG-N 3.4Å; N29-K31 VanDerWaalsContact C-N 3.27Å; N29-K31 PolarHBondContact O-N 3.28Å; N29-K31 VanDerWaalsContact OD1-CB 3.31Å; N29-K31 WeakPolarHBondContact OD1-CB 3.43Å; N29-K31 PolarHBondContact OD1-N 3.12Å; K31-N46 WeakPolarHBondContact O-CA 3.18Å; K31-N46 PolarHBondContact O-OD1 3.33Å; K31-F47 PolarHBondContact O-N 3.47Å
32Q92.8Very high94Very high29 Ų2926.2 Ų26.214%0.13614%0.137CC..EExtended strand (participates in β ladder)trans-134.3151.9179.3-63.8171.7-3900111.2S27 L44 W45 N46 F68S27-Q32 WeakPolarHBondContact CB-O 3.42Å; S27-Q32 PolarHBondContact N-O 2.92Å; S27-Q32 WeakPolarHBondContact OG-CA 3.32Å; S27-Q32 PolarHBondContact OG-N 2.83Å; S27-Q32 PolarHBondContact OG-O 2.86Å; Q32-L44 HydrophobicContact CB-CD1 3.89Å; Q32-L44 HydrophobicContact CG-CD1 4.4Å; Q32-W45 WeakPolarHBondContact CA-O 3.31Å; Q32-W45 VanDerWaalsContact CB-O 3.31Å; Q32-W45 WeakPolarHBondContact CB-O 3.49Å; Q32-N46 HydrophobicContact CG-CB 4.45Å; Q32-F68 HydrophobicContact CB-CZ 4.43Å
33L95.4Very high94Very high0 Ų026.1 Ų26.10%014%0.135CC..EExtended strand (participates in β ladder)trans-126.7132.9172.5-179.373.4000107.9L24 D25 F26 T35 W45 F47 A286 V294L24-L33 HydrophobicContact CD1-CD1 4.13Å; D25-L33 WeakPolarHBondContact O-CD1 3.38Å; F26-L33 HydrophobicContact CD1-CD1 4.1Å; F26-L33 HydrophobicContact CD2-CD1 3.72Å; F26-L33 HydrophobicContact CE1-CD1 4.15Å; F26-L33 HydrophobicContact CE2-CD1 3.75Å; F26-L33 HydrophobicContact CG-CD1 3.9Å; F26-L33 HydrophobicContact CZ-CD1 3.99Å; L33-T35 HydrophobicContact CD2-CG2 4.23Å; L33-T35 HydrophobicContact CG-CG2 4.26Å; L33-W45 HydrophobicContact CB-CB 4.33Å; L33-W45 PolarHBondContact N-O 3.47Å; L33-W45 VanDerWaalsContact N-O 3.16Å; L33-W45 PolarHBondContact O-N 2.86Å; L33-F47 HydrophobicContact CB-CE1 3.88Å; L33-F47 HydrophobicContact CB-CZ 3.72Å; L33-A286 HydrophobicContact CD1-CB 4.17Å; L33-A286 HydrophobicContact CD2-CB 3.94Å; L33-V294 HydrophobicContact CD2-CG1 3.7Å
34A96.6Very high93.9Very high0 Ų025.3 Ų25.30%013%0.129CC..EExtended strand (participates in β ladder)trans-105.8138.1173.200000109.7L24 D25 M43 L44 V66 F68 L75L24-A34 VanDerWaalsContact CA-O 3.23Å; L24-A34 WeakPolarHBondContact CA-O 3.4Å; D25-A34 PolarHBondContact N-O 2.69Å; D25-A34 PolarHBondContact O-N 2.88Å; A34-M43 WeakPolarHBondContact CA-O 3.36Å; A34-L44 HydrophobicContact CB-CD1 4.29Å; A34-V66 HydrophobicContact CB-CG2 3.86Å; A34-F68 HydrophobicContact CB-CD2 4.34Å; A34-F68 HydrophobicContact CB-CE2 3.51Å; A34-F68 HydrophobicContact CB-CZ 3.86Å; A34-L75 HydrophobicContact CB-CD1 3.51Å; A34-L75 HydrophobicContact CB-CD2 3.92Å; A34-L75 HydrophobicContact CB-CG 4.35Å
35T97.3Very high93.8Very high0 Ų026 Ų260%013%0.132CC..EExtended strand (participates in β ladder)trans-131.4142178.858.40000111.4H17 L24 L33 L42 M43 W45 V294H17-T35 PolarHBondContact CD2-OG1 2.84Å; H17-T35 PolarHBondContact NE2-OG1 3.37Å; L24-T35 HydrophobicContact CB-CG2 3.89Å; L33-T35 HydrophobicContact CD2-CG2 4.23Å; L33-T35 HydrophobicContact CG-CG2 4.26Å; T35-L42 VanDerWaalsContact O-CA 3.27Å; T35-L42 WeakPolarHBondContact O-CA 3.36Å; T35-L42 WeakPolarHBondContact O-CB 3.45Å; T35-M43 PolarHBondContact N-O 3.36Å; T35-M43 PolarHBondContact O-N 2.97Å; T35-W45 PolarHBondContact OG1-NE1 2.81Å; T35-V294 HydrophobicContact CG2-CG1 4.32Å; T35-V294 HydrophobicContact CG2-CG2 3.84Å
36A96.6Very high93.6Very high0 Ų027.2 Ų27.20%014%0.138CC..EExtended strand (participates in β ladder)trans-115.8150.3176.900000110.5I21 T22 S23 L42 V63 V66I21-A36 CarbonylContact C-O 3.57Å; I21-A36 WeakPolarHBondContact CA-O 3.47Å; I21-A36 VanDerWaalsContact CG2-O 3.3Å; I21-A36 WeakPolarHBondContact CG2-O 3.47Å; T22-A36 PolarHBondContact N-O 3.08Å; T22-A36 VanDerWaalsContact OG1-C 3.29Å; T22-A36 PolarHBondContact OG1-O 2.59Å; S23-A36 PolarHBondContact O-N 2.86Å; A36-L42 HydrophobicContact CB-CD2 4.25Å; A36-V63 HydrophobicContact CB-CB 3.89Å; A36-V63 HydrophobicContact CB-CG1 3.5Å; A36-V66 HydrophobicContact CB-CB 4.01Å; A36-V66 HydrophobicContact CB-CG1 3.81Å
37S96.6Very high93.3Very high0 Ų028.6 Ų28.60%014%0.144CC..EExtended strand (participates in β ladder)trans-149.1166-171.9168.80000112.5H17 A19 A20 D39 V63H17-S37 VanDerWaalsContact CE1-CB 3.44Å; H17-S37 WeakPolarHBondContact CE1-CB 3.43Å; H17-S37 WeakPolarHBondContact ND1-CB 3.33Å; A19-S37 PolarHBondContact O-OG 3.43Å; A20-S37 WeakPolarHBondContact O-CA 3.31Å; A20-S37 PolarHBondContact O-OG 3.48Å; S37-D39 VanDerWaalsContact CB-OD1 3.31Å; S37-D39 WeakPolarHBondContact CB-OD1 3.31Å; S37-D39 PolarHBondContact O-N 2.85Å; S37-D39 PolarHBondContact OG-N 2.94Å; S37-D39 VanDerWaalsContact OG-N 3.17Å; S37-D39 PolarHBondContact OG-OD1 2.98Å; S37-D39 PolarHBondContact OG-OD2 3.02Å; S37-V63 PolarHBondContact O-N 2.91Å; S37-V63 VanDerWaalsContact O-N 3.14Å
38W95.7Very high92.9Very high118 Ų11835.1 Ų35.145%0.44717%0.172SC..THydrogen-bonded Turntrans-68.5-10.4170.2-68.420.9000113.1A19 A20 T40 V62A19-W38 HydrophobicContact CB-CB 3.8Å; A20-W38 HydrophobicContact CB-CD2 4.41Å; A20-W38 HydrophobicContact CB-CG 4.44Å; A20-W38 PolarHBondContact O-N 3.34Å; W38-T40 PolarHBondContact O-N 2.89Å; W38-V62 HydrophobicContact CB-CG1 4.33Å; W38-V62 HydrophobicContact CB-CG2 3.91Å; W38-V62 HydrophobicContact CD2-CG2 4.46Å; W38-V62 HydrophobicContact CG-CG1 3.86Å; W38-V62 HydrophobicContact CG-CG2 3.95Å
39D93.7Very high92.3Very high22 Ų2239 Ų3912%0.11820%0.197CC..THydrogen-bonded Turntrans-77.513.2175.361.731.3000115.3H17 K18 A19 S37 F41H17-D39 WeakPolarHBondContact CA-OD2 3.19Å; H17-D39 VanDerWaalsContact CB-OD2 3.25Å; H17-D39 WeakPolarHBondContact CB-OD2 3.46Å; H17-D39 IonicContact CE1-OD1 2.75Å; H17-D39 IonicContact CG-OD2 2.85Å; H17-D39 IonicContact ND1-OD1 2.71Å; H17-D39 PolarHBondContact ND1-OD1 3.09Å; H17-D39 IonicContact ND1-OD2 3.38Å; H17-D39 PolarHBondContact ND1-OD2 2.8Å; K18-D39 HydrophobicContact CB-CB 4Å; K18-D39 PolarHBondContact N-OD2 2.9Å; A19-D39 HydrophobicContact CB-CB 4.25Å; S37-D39 VanDerWaalsContact CB-OD1 3.31Å; S37-D39 WeakPolarHBondContact CB-OD1 3.31Å; S37-D39 PolarHBondContact O-N 2.85Å; S37-D39 PolarHBondContact OG-N 2.94Å; S37-D39 VanDerWaalsContact OG-N 3.17Å; S37-D39 PolarHBondContact OG-OD1 2.98Å; S37-D39 PolarHBondContact OG-OD2 3.02Å; D39-F41 HydrophobicContact CB-CD1 4.13Å; D39-F41 HydrophobicContact CB-CE1 3.74Å; D39-F41 HydrophobicContact CB-CZ 4.14Å; D39-F41 VanDerWaalsContact CG-CE1 3.41Å; D39-F41 WeakPolarHBondContact O-CD1 3.47Å; D39-F41 PolarHBondContact O-N 2.86Å; D39-F41 VanDerWaalsContact O-N 3.11Å; D39-F41 WeakPolarHBondContact OD1-CD1 3.2Å; D39-F41 WeakPolarHBondContact OD1-CD2 3.48Å; D39-F41 WeakPolarHBondContact OD1-CG 3.08Å; D39-F41 PolarHBondContact OD1-N 3.29Å; D39-F41 WeakPolarHBondContact OD2-CZ 3.48Å
40T94.7Very high91.8Very high44 Ų4444.3 Ų44.327%0.2722%0.219SC..SBendtrans62.45.2176.595.90000116.4W38 H59 D61W38-T40 PolarHBondContact O-N 2.89Å; T40-H59 PolarHBondContact OG1-O 2.97Å; T40-D61 WeakPolarHBondContact CB-O 3.38Å
41F94.1Very high91.7Very high15 Ų1544.5 Ų44.57%0.06622%0.218CC..EExtended strand (participates in β ladder)trans-118.6163.1173.460.9-103.5000112.5H17 D39 M43 R55 Y56 V57H17-F41 AromaticContact CE1-CD2 3.98Å; H17-F41 AromaticContact CE1-CE2 3.95Å; H17-F41 AromaticContact ND1-CD2 3.9Å; H17-F41 AromaticContact ND1-CE2 3.47Å; H17-F41 WeakPolarHBondContact ND1-CE2 3.11Å; D39-F41 HydrophobicContact CB-CD1 4.13Å; D39-F41 HydrophobicContact CB-CE1 3.74Å; D39-F41 HydrophobicContact CB-CZ 4.14Å; D39-F41 VanDerWaalsContact CG-CE1 3.41Å; D39-F41 WeakPolarHBondContact O-CD1 3.47Å; D39-F41 PolarHBondContact O-N 2.86Å; D39-F41 VanDerWaalsContact O-N 3.11Å; D39-F41 WeakPolarHBondContact OD1-CD1 3.2Å; D39-F41 WeakPolarHBondContact OD1-CD2 3.48Å; D39-F41 WeakPolarHBondContact OD1-CG 3.08Å; D39-F41 PolarHBondContact OD1-N 3.29Å; D39-F41 WeakPolarHBondContact OD2-CZ 3.48Å; F41-M43 HydrophobicContact CD2-CG 3.97Å; F41-M43 HydrophobicContact CE2-CE 4.22Å; F41-M43 HydrophobicContact CE2-CG 3.79Å; F41-M43 HydrophobicContact CE2-SD 3.94Å; F41-R55 HydrophobicContact CB-CG 4.1Å; F41-R55 HydrophobicContact CD1-CG 4.47Å; F41-R55 HydrophobicContact CD2-CG 3.51Å; F41-R55 HydrophobicContact CE2-CG 3.97Å; F41-R55 HydrophobicContact CG-CG 3.79Å; F41-Y56 WeakPolarHBondContact CA-O 3.33Å; F41-Y56 VanDerWaalsContact CB-O 3.28Å; F41-Y56 WeakPolarHBondContact CB-O 3.49Å; F41-V57 HydrophobicContact CB-CG2 4.12Å
42L95.4Very high91.6Very high1 Ų148.6 Ų48.61%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-104.9152169.3-60.498.6000110.2T35 A36 R55 Y56 V63 V66 L75 W87T35-L42 VanDerWaalsContact O-CA 3.27Å; T35-L42 WeakPolarHBondContact O-CA 3.36Å; T35-L42 WeakPolarHBondContact O-CB 3.45Å; A36-L42 HydrophobicContact CB-CD2 4.25Å; L42-R55 WeakPolarHBondContact O-CA 3.44Å; L42-Y56 PolarHBondContact N-O 3.18Å; L42-Y56 PolarHBondContact O-N 3.07Å; L42-V63 HydrophobicContact CD1-CG1 4.13Å; L42-V63 HydrophobicContact CD1-CG2 4.11Å; L42-V63 HydrophobicContact CD2-CG1 4.12Å; L42-V63 HydrophobicContact CG-CG1 4.07Å; L42-V63 HydrophobicContact CG-CG2 4.41Å; L42-V66 HydrophobicContact CD2-CB 3.7Å; L42-V66 HydrophobicContact CD2-CG2 3.46Å; L42-V66 VanDerWaalsContact CD2-CG2 3.46Å; L42-L75 HydrophobicContact CD2-CD2 4.47Å; L42-W87 HydrophobicContact CD1-CZ2 3.94Å
43M95.4Very high91.5Very high24 Ų2449 Ų4912%0.11824%0.237CC..EExtended strand (participates in β ladder)trans-118134.1169.2-65.6-173.611700110.5A34 T35 F41 W45 Y54A34-M43 WeakPolarHBondContact CA-O 3.36Å; T35-M43 PolarHBondContact N-O 3.36Å; T35-M43 PolarHBondContact O-N 2.97Å; F41-M43 HydrophobicContact CD2-CG 3.97Å; F41-M43 HydrophobicContact CE2-CE 4.22Å; F41-M43 HydrophobicContact CE2-CG 3.79Å; F41-M43 HydrophobicContact CE2-SD 3.94Å; M43-W45 HydrophobicContact CB-CZ2 3.86Å; M43-W45 HydrophobicContact CE-CH2 4.3Å; M43-W45 HydrophobicContact CG-CZ2 4.29Å; M43-W45 HydrophobicContact SD-CH2 3.75Å; M43-W45 HydrophobicContact SD-CZ2 3.44Å; M43-W45 WeakPolarHBondContact SD-CZ2 3.39Å; M43-Y54 CarbonylContact C-O 3.55Å; M43-Y54 WeakPolarHBondContact CA-O 3.43Å
44L95.4Very high91.4Very high1 Ų151.6 Ų51.61%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-108.7102.6173.2-178.263.3000108.7Q32 A34 A53 Y54 Y56 F68 P89Q32-L44 HydrophobicContact CB-CD1 3.89Å; Q32-L44 HydrophobicContact CG-CD1 4.4Å; A34-L44 HydrophobicContact CB-CD1 4.29Å; L44-A53 CarbonylContact O-C 3.59Å; L44-A53 VanDerWaalsContact O-CA 3.28Å; L44-A53 WeakPolarHBondContact O-CA 3.35Å; L44-Y54 HydrophobicContact CD2-CD2 4.4Å; L44-Y54 PolarHBondContact N-O 3.08Å; L44-Y54 PolarHBondContact O-N 3.38Å; L44-Y56 HydrophobicContact CB-CE2 4.02Å; L44-Y56 HydrophobicContact CD2-CE2 4.07Å; L44-Y56 WeakPolarHBondContact CD2-OH 3.32Å; L44-F68 HydrophobicContact CD1-CE1 4.36Å; L44-F68 HydrophobicContact CD1-CZ 3.68Å; L44-P89 HydrophobicContact CD2-CB 3.81Å
45W94.2Very high91.3Very high21 Ų2159 Ų598%0.0828%0.276CS..EExtended strand (participates in β ladder)trans-82.7155.2176.1-4891.1000110.2F14 Q32 L33 T35 M43 A53F14-W45 HydrophobicContact CB-CD2 4.03Å; F14-W45 HydrophobicContact CB-CE3 3.8Å; F14-W45 HydrophobicContact CB-CH2 3.88Å; F14-W45 HydrophobicContact CB-CZ2 4.07Å; F14-W45 HydrophobicContact CB-CZ3 3.73Å; F14-W45 HydrophobicContact CD1-CD2 4.16Å; F14-W45 AromaticContact CD1-CE3 3.6Å; F14-W45 HydrophobicContact CD1-CE3 3.6Å; F14-W45 HydrophobicContact CD1-CZ3 4.11Å; F14-W45 HydrophobicContact CE1-CE3 4.4Å; F14-W45 HydrophobicContact CG-CD2 4.03Å; F14-W45 AromaticContact CG-CE3 3.84Å; F14-W45 HydrophobicContact CG-CE3 3.84Å; F14-W45 HydrophobicContact CG-CZ3 4.25Å; Q32-W45 WeakPolarHBondContact CA-O 3.31Å; Q32-W45 VanDerWaalsContact CB-O 3.31Å; Q32-W45 WeakPolarHBondContact CB-O 3.49Å; L33-W45 HydrophobicContact CB-CB 4.33Å; L33-W45 PolarHBondContact N-O 3.47Å; L33-W45 VanDerWaalsContact N-O 3.16Å; L33-W45 PolarHBondContact O-N 2.86Å; T35-W45 PolarHBondContact OG1-NE1 2.81Å; M43-W45 HydrophobicContact CB-CZ2 3.86Å; M43-W45 HydrophobicContact CE-CH2 4.3Å; M43-W45 HydrophobicContact CG-CZ2 4.29Å; M43-W45 HydrophobicContact SD-CH2 3.75Å; M43-W45 HydrophobicContact SD-CZ2 3.44Å; M43-W45 WeakPolarHBondContact SD-CZ2 3.39Å; W45-A53 HydrophobicContact CD2-CB 4.07Å; W45-A53 HydrophobicContact CE3-CB 3.53Å; W45-A53 HydrophobicContact CZ3-CB 3.78Å
46N92.1Very high91.2Very high34 Ų3459.2 Ų59.218%0.18228%0.277CS..EExtended strand (participates in β ladder)trans-139.7123.3-178.2-176.5-22.5000108.3K31 Q32 K48 A51K31-N46 WeakPolarHBondContact O-CA 3.18Å; K31-N46 PolarHBondContact O-OD1 3.33Å; Q32-N46 HydrophobicContact CG-CB 4.45Å; N46-K48 VanDerWaalsContact C-N 3.26Å; N46-K48 PolarHBondContact O-N 2.96Å; N46-K48 WeakPolarHBondContact OD1-CB 3.29Å; N46-K48 PolarHBondContact OD1-N 2.9Å; N46-A51 HydrophobicContact CB-CB 3.82Å
47F88.8Confident91.1Very high29 Ų2963.1 Ų63.113%0.12730%0.301CS..  trans-77.6-10.7-169-54.9-37.3000114R12 F14 F26 G30 K31 L33 L284 L296R12-F47 PolarHBondContact NH1-O 2.89Å; F14-F47 HydrophobicContact CE2-CE1 4.2Å; F14-F47 HydrophobicContact CZ-CD1 4.01Å; F14-F47 HydrophobicContact CZ-CE1 4.02Å; F26-F47 HydrophobicContact CD1-CE2 4.12Å; F26-F47 HydrophobicContact CD1-CZ 4.12Å; F26-F47 AromaticContact CE1-CE2 3.92Å; F26-F47 HydrophobicContact CE1-CE2 3.92Å; F26-F47 AromaticContact CE1-CZ 3.7Å; F26-F47 HydrophobicContact CE1-CZ 3.7Å; G30-F47 VanDerWaalsContact O-CD2 3.23Å; G30-F47 WeakPolarHBondContact O-CD2 3.13Å; G30-F47 WeakPolarHBondContact O-CE2 3.42Å; K31-F47 PolarHBondContact O-N 3.47Å; L33-F47 HydrophobicContact CB-CE1 3.88Å; L33-F47 HydrophobicContact CB-CZ 3.72Å; F47-L284 HydrophobicContact CE2-CD1 4.32Å; F47-L296 HydrophobicContact CD1-CD2 4.1Å; F47-L296 HydrophobicContact CE1-CD1 4.4Å; F47-L296 HydrophobicContact CE1-CD2 3.79Å; F47-L296 HydrophobicContact CZ-CD1 4.11Å; F47-L296 HydrophobicContact CZ-CD2 4.16Å
48K86.9Confident90.8Very high139 Ų13964.1 Ų64.160%0.60431%0.311SS*.SBendtrans-56.5135.8173.6-73.2-171.4175-168.20110.8N46 H50 A51N46-K48 VanDerWaalsContact C-N 3.26Å; N46-K48 PolarHBondContact O-N 2.96Å; N46-K48 WeakPolarHBondContact OD1-CB 3.29Å; N46-K48 PolarHBondContact OD1-N 2.9Å; K48-H50 PolarHBondContact O-N 3.01Å; K48-A51 HydrophobicContact CB-CB 4.06Å; K48-A51 VanDerWaalsContact O-CB 3.25Å; K48-A51 WeakPolarHBondContact O-CB 3.47Å; K48-A51 PolarHBondContact O-N 2.86Å; K48-A51 VanDerWaalsContact O-N 3.13Å
49P76.4Confident90.8Very high99 Ų9958.8 Ų58.864%0.64329%0.291SS*.THydrogen-bonded Turntrans-51137.8174.9-27.835.3000112.3A51P49-A51 PolarHBondContact O-N 3.44Å; P49-A51 VanDerWaalsContact O-N 3.09Å
50H75.6Confident90.9Very high194 Ų19465.7 Ų65.790%0.89832%0.32SS*.THydrogen-bonded Turntrans59.810.9-179.6-48.995.2000116.1K48K48-H50 PolarHBondContact O-N 3.01Å
51A83.9Confident91Very high39 Ų3966.7 Ų66.732%0.32232%0.324SS..PPolyproline II helixtrans-72.5130.3174.100000111.3N46 K48 P49N46-A51 HydrophobicContact CB-CB 3.82Å; K48-A51 HydrophobicContact CB-CB 4.06Å; K48-A51 VanDerWaalsContact O-CB 3.25Å; K48-A51 WeakPolarHBondContact O-CB 3.47Å; K48-A51 PolarHBondContact O-N 2.86Å; K48-A51 VanDerWaalsContact O-N 3.13Å; P49-A51 PolarHBondContact O-N 3.44Å; P49-A51 VanDerWaalsContact O-N 3.09Å
52R85.6Confident91.1Very high211 Ų21166.5 Ų66.580%0.79632%0.323SS*.PPolyproline II helixtrans-75.5139172.4-62.8-177-177-179.4-0.4110.1
53A91.3Very high91.2Very high37 Ų3766.4 Ų66.431%0.30632%0.323SS..PPolyproline II helixtrans-67.9148.5165.100000110.7L44 W45L44-A53 CarbonylContact O-C 3.59Å; L44-A53 VanDerWaalsContact O-CA 3.28Å; L44-A53 WeakPolarHBondContact O-CA 3.35Å; W45-A53 HydrophobicContact CD2-CB 4.07Å; W45-A53 HydrophobicContact CE3-CB 3.53Å; W45-A53 HydrophobicContact CZ3-CB 3.78Å
54Y93Very high91.3Very high56 Ų5666 Ų6622%0.2232%0.322CS..EExtended strand (participates in β ladder)trans-104.8136.6173.9-54.1-54.4000110.3M43 L44 K91M43-Y54 CarbonylContact C-O 3.55Å; M43-Y54 WeakPolarHBondContact CA-O 3.43Å; L44-Y54 HydrophobicContact CD2-CD2 4.4Å; L44-Y54 PolarHBondContact N-O 3.08Å; L44-Y54 PolarHBondContact O-N 3.38Å; Y54-K91 HydrophobicContact CE1-CB 4.26Å; Y54-K91 HydrophobicContact CE1-CD 4.43Å; Y54-K91 HydrophobicContact CE1-CG 4.08Å; Y54-K91 HydrophobicContact CE2-CG 4.08Å; Y54-K91 WeakPolarHBondContact OH-CE 3.47Å
55R94.4Very high91.3Very high154 Ų15466.5 Ų66.558%0.58133%0.325SS*.EExtended strand (participates in β ladder)trans-103123.5177.6-175.6-17962.6154.5-1.3109.9F41 L42 V57F41-R55 HydrophobicContact CB-CG 4.1Å; F41-R55 HydrophobicContact CD1-CG 4.47Å; F41-R55 HydrophobicContact CD2-CG 3.51Å; F41-R55 HydrophobicContact CE2-CG 3.97Å; F41-R55 HydrophobicContact CG-CG 3.79Å; L42-R55 WeakPolarHBondContact O-CA 3.44Å; R55-V57 HydrophobicContact CG-CG2 4.05Å
56Y94.9Very high91.5Very high5 Ų565.7 Ų65.72%0.0232%0.323CS..EExtended strand (participates in β ladder)trans-106.6106.5-179.2-65.1-20.7000110.1F41 L42 L44 L75 W87 P89 D90 G93F41-Y56 WeakPolarHBondContact CA-O 3.33Å; F41-Y56 VanDerWaalsContact CB-O 3.28Å; F41-Y56 WeakPolarHBondContact CB-O 3.49Å; L42-Y56 PolarHBondContact N-O 3.18Å; L42-Y56 PolarHBondContact O-N 3.07Å; L44-Y56 HydrophobicContact CB-CE2 4.02Å; L44-Y56 HydrophobicContact CD2-CE2 4.07Å; L44-Y56 WeakPolarHBondContact CD2-OH 3.32Å; Y56-L75 HydrophobicContact CD2-CD2 4.43Å; Y56-L75 HydrophobicContact CE2-CD2 4.39Å; Y56-W87 HydrophobicContact CD2-CB 4.42Å; Y56-W87 HydrophobicContact CD2-CD2 4.3Å; Y56-W87 HydrophobicContact CD2-CE3 4.21Å; Y56-W87 HydrophobicContact CD2-CG 4.39Å; Y56-W87 HydrophobicContact CG-CD2 4.44Å; Y56-W87 AromaticContact CG-CE3 3.95Å; Y56-W87 HydrophobicContact CG-CE3 3.95Å; Y56-W87 HydrophobicContact CG-CZ3 4.35Å; Y56-P89 WeakPolarHBondContact OH-CA 3.44Å; Y56-D90 WeakPolarHBondContact CE1-O 3.2Å; Y56-D90 PolarHBondContact OH-N 3.1Å; Y56-D90 VanDerWaalsContact OH-N 3.08Å; Y56-D90 PolarHBondContact OH-O 3.11Å; Y56-G93 VanDerWaalsContact CD1-CA 3.5Å
57V93.8Very high91.7Very high83 Ų8365.4 Ų65.450%0.50332%0.32SS..EExtended strand (participates in β ladder)trans-104.3133.4-178.5-175.20000108.8F41 R55F41-V57 HydrophobicContact CB-CG2 4.12Å; R55-V57 HydrophobicContact CG-CG2 4.05Å
58G91.4Very high92.1Very high21 Ų2164.3 Ų64.322%0.21632%0.316CS..  trans172.4-27.5177.400000114.4R85G58-R85 PolarHBondContact O-NH1 2.98Å; G58-R85 PolarHBondContact O-NH2 2.84Å
59H95.8Very high92.4Very high6 Ų658 Ų583%0.02829%0.289CS..  trans-70140.7168.8-77-77.4000111.8T40 V63 S77 S79 D81 T83 R85T40-H59 PolarHBondContact OG1-O 2.97Å; H59-V63 HydrophobicContact CB-CG2 4.04Å; H59-S77 PolarHBondContact NE2-OG 3.11Å; H59-S79 WeakPolarHBondContact ND1-CB 3.44Å; H59-D81 WeakPolarHBondContact CA-OD2 3.27Å; H59-D81 IonicContact CE1-OD1 2.67Å; H59-D81 IonicContact CG-OD2 3.18Å; H59-D81 IonicContact ND1-OD1 3.31Å; H59-D81 PolarHBondContact ND1-OD1 2.99Å; H59-D81 IonicContact ND1-OD2 2.8Å; H59-D81 PolarHBondContact ND1-OD2 3.23Å; H59-D81 VanDerWaalsContact ND1-OD2 3.09Å; H59-T83 PolarHBondContact CE1-OG1 3.04Å; H59-T83 PolarHBondContact ND1-OG1 2.84Å; H59-R85 VanDerWaalsContact CA-NH1 3.34Å; H59-R85 PolarHBondContact CE1-NH1 2.75Å; H59-R85 VanDerWaalsContact CE1-NH1 3.33Å; H59-R85 VanDerWaalsContact CG-NH1 3.29Å; H59-R85 PolarHBondContact ND1-NH1 2.74Å
60K95.2Very high93.1Very high167 Ų16754.2 Ų54.273%0.72626%0.264SS*.SBendtrans-89.3-10.9-176.8-60.8176.9-178.5171.70113.2D81K60-D81 HydrophobicContact CB-CB 3.98Å; K60-D81 PolarHBondContact N-OD2 2.91Å
61D96.6Very high93.8Very high65 Ų6550.2 Ų50.235%0.34825%0.246SC..SBendtrans-151.9172.4-175-164.5-5.6000108.9T40 V63 S79 R80 D81T40-D61 WeakPolarHBondContact CB-O 3.38Å; D61-V63 PolarHBondContact O-N 3.03Å; D61-S79 PolarHBondContact O-OG 3.06Å; D61-R80 HydrophobicContact CB-CB 4.12Å; D61-R80 WeakPolarHBondContact OD2-CB 3.24Å; D61-D81 HydrophobicContact CB-CB 4.04Å
62V96.8Very high94.1Very high10 Ų1048.9 Ų48.96%0.06124%0.236CC..  trans-37124.9179.6171.10000112.7T22 W38 T64 S79 R80T22-V62 HydrophobicContact CG2-CG1 4.44Å; W38-V62 HydrophobicContact CB-CG1 4.33Å; W38-V62 HydrophobicContact CB-CG2 3.91Å; W38-V62 HydrophobicContact CD2-CG2 4.46Å; W38-V62 HydrophobicContact CG-CG1 3.86Å; W38-V62 HydrophobicContact CG-CG2 3.95Å; V62-T64 HydrophobicContact CG1-CG2 4.4Å; V62-S79 WeakPolarHBondContact O-CA 3.45Å; V62-S79 VanDerWaalsContact O-CB 3.3Å; V62-S79 WeakPolarHBondContact O-CB 3.39Å; V62-S79 PolarHBondContact O-OG 2.8Å; V62-R80 HydrophobicContact CB-CG 4.22Å; V62-R80 PolarHBondContact O-N 2.86Å
63V97.6Very high94.3Very high0 Ų044.3 Ų44.30%023%0.227CC..EExtended strand (participates in β ladder)trans-79.6126.3170.6-169.50000107.8T22 A36 S37 L42 H59 D61 A78T22-V63 WeakPolarHBondContact CB-O 3.34Å; T22-V63 WeakPolarHBondContact CG2-O 3.26Å; T22-V63 PolarHBondContact OG1-O 3.03Å; A36-V63 HydrophobicContact CB-CB 3.89Å; A36-V63 HydrophobicContact CB-CG1 3.5Å; S37-V63 PolarHBondContact O-N 2.91Å; S37-V63 VanDerWaalsContact O-N 3.14Å; L42-V63 HydrophobicContact CD1-CG1 4.13Å; L42-V63 HydrophobicContact CD1-CG2 4.11Å; L42-V63 HydrophobicContact CD2-CG1 4.12Å; L42-V63 HydrophobicContact CG-CG1 4.07Å; L42-V63 HydrophobicContact CG-CG2 4.41Å; H59-V63 HydrophobicContact CB-CG2 4.04Å; D61-V63 PolarHBondContact O-N 3.03Å; V63-A78 CarbonylContact C-O 3.6Å; V63-A78 WeakPolarHBondContact CA-O 3.29Å; V63-A78 WeakPolarHBondContact CG1-O 3.25Å
64T96.9Very high94.4Very high16 Ų1644.7 Ų44.710%0.09822%0.224CC..EExtended strand (participates in β ladder)trans-100.5-36.8-169.547.60000113.1V62 A78 R80 V105V62-T64 HydrophobicContact CG1-CG2 4.4Å; T64-A78 PolarHBondContact N-O 2.73Å; T64-A78 VanDerWaalsContact OG1-C 3.27Å; T64-A78 WeakPolarHBondContact OG1-CB 3.32Å; T64-A78 PolarHBondContact OG1-O 3.23Å; T64-R80 HydrophobicContact CG2-CG 3.97Å; T64-V105 WeakPolarHBondContact CB-O 3.18Å; T64-V105 WeakPolarHBondContact CG2-O 3.3Å; T64-V105 PolarHBondContact OG1-O 3.43Å
65S96.8Very high94.6Very high10 Ų1042.1 Ų42.17%0.0721%0.214CC..EExtended strand (participates in β ladder)trans-145.2150.1174.470.80000112.3S23 S77 A78 S107 V108S23-S65 WeakPolarHBondContact OG-CA 3.16Å; S65-S77 VanDerWaalsContact O-CA 3.26Å; S65-S77 WeakPolarHBondContact O-CA 3.22Å; S65-A78 PolarHBondContact O-N 3.4Å; S65-S107 WeakPolarHBondContact OG-CA 3.34Å; S65-V108 PolarHBondContact OG-N 3.26Å
66V97.3Very high94.7Very high4 Ų434.8 Ų34.82%0.02419%0.186CC..EExtended strand (participates in β ladder)trans-132.6143.3171.160.10000110.8S23 A34 A36 L42 L75 A76S23-V66 WeakPolarHBondContact O-CG1 3.34Å; S23-V66 PolarHBondContact OG-N 3.33Å; S23-V66 PolarHBondContact OG-O 3.07Å; A34-V66 HydrophobicContact CB-CG2 3.86Å; A36-V66 HydrophobicContact CB-CB 4.01Å; A36-V66 HydrophobicContact CB-CG1 3.81Å; L42-V66 HydrophobicContact CD2-CB 3.7Å; L42-V66 HydrophobicContact CD2-CG2 3.46Å; L42-V66 VanDerWaalsContact CD2-CG2 3.46Å; V66-L75 HydrophobicContact CG2-CD1 3.64Å; V66-L75 HydrophobicContact CG2-CD2 3.92Å; V66-L75 HydrophobicContact CG2-CG 3.77Å; V66-A76 WeakPolarHBondContact CA-O 3.36Å
67Q96.9Very high94.8Very high29 Ų2934.5 Ų34.514%0.13619%0.185CC..EExtended strand (participates in β ladder)trans-154.2142.6175.6-171.5163.8-35.600112.5D25 L75 A76 V108 D109 F110D25-Q67 WeakPolarHBondContact OD2-CG 3.32Å; Q67-L75 CarbonylContact O-C 3.56Å; Q67-L75 WeakPolarHBondContact O-CA 3.44Å; Q67-A76 PolarHBondContact N-O 2.67Å; Q67-A76 PolarHBondContact O-N 3.07Å; Q67-V108 PolarHBondContact OE1-O 3.18Å; Q67-D109 VanDerWaalsContact CD-OD1 3.27Å; Q67-D109 PolarHBondContact NE2-OD1 3.25Å; Q67-D109 PolarHBondContact OE1-OD1 2.85Å; Q67-F110 HydrophobicContact CG-CD2 4.31Å
68F96.3Very high94.9Very high6 Ų630.6 Ų30.63%0.02616%0.161CC..EExtended strand (participates in β ladder)trans-80.3147.8169.7-75.2-89.5000111.7D25 S27 P28 Q32 A34 L44 L75 P89 F110D25-F68 HydrophobicContact CB-CD2 4.32Å; D25-F68 WeakPolarHBondContact O-CE2 3.36Å; D25-F68 PolarHBondContact OD2-N 2.76Å; S27-F68 VanDerWaalsContact N-CE2 3.34Å; P28-F68 HydrophobicContact CG-CB 4.42Å; Q32-F68 HydrophobicContact CB-CZ 4.43Å; A34-F68 HydrophobicContact CB-CD2 4.34Å; A34-F68 HydrophobicContact CB-CE2 3.51Å; A34-F68 HydrophobicContact CB-CZ 3.86Å; L44-F68 HydrophobicContact CD1-CE1 4.36Å; L44-F68 HydrophobicContact CD1-CZ 3.68Å; F68-L75 HydrophobicContact CB-CD1 4.46Å; F68-L75 HydrophobicContact CD1-CD1 3.74Å; F68-L75 HydrophobicContact CD2-CD1 3.66Å; F68-L75 HydrophobicContact CE1-CD1 3.83Å; F68-L75 HydrophobicContact CE2-CD1 3.75Å; F68-L75 HydrophobicContact CG-CD1 3.67Å; F68-L75 HydrophobicContact CZ-CD1 3.84Å; F68-P89 HydrophobicContact CE1-CB 4.19Å; F68-F110 WeakPolarHBondContact O-CD2 3.46Å
69S94.4Very high95.2Very high7 Ų729.6 Ų29.65%0.04915%0.151CC..  trans-66.3151.1163.470.40000110.1P28 H71 G72 L74P28-S69 VanDerWaalsContact CG-O 3.23Å; P28-S69 WeakPolarHBondContact CG-O 3.4Å; S69-H71 PolarHBondContact O-N 3.25Å; S69-G72 PolarHBondContact O-N 2.9Å; S69-L74 PolarHBondContact N-O 3.41Å; S69-L74 PolarHBondContact OG-N 3.23Å; S69-L74 PolarHBondContact OG-O 3.22Å
70P91Very high95.3Very high18 Ų1833.2 Ų33.212%0.11716%0.164CC..THydrogen-bonded Turntrans-57.7-19.9-179.1-26.533.9000115P28 S111 A112 Y306P28-P70 WeakPolarHBondContact CB-O 3.32Å; P28-P70 WeakPolarHBondContact CG-O 3.22Å; P70-S111 VanDerWaalsContact CG-O 3.28Å; P70-S111 WeakPolarHBondContact CG-O 3.47Å; P70-A112 WeakPolarHBondContact CB-O 3.5Å; P70-A112 WeakPolarHBondContact CG-O 3.35Å; P70-Y306 PolarHBondContact O-OH 3.27Å; P70-Y306 VanDerWaalsContact O-OH 3.04Å
71H89.1Confident95.3Very high110 Ų11026.6 Ų26.651%0.50914%0.137SC..THydrogen-bonded Turntrans-88.9-14176.2-67.397.9000113.6S69 N73 D113S69-H71 PolarHBondContact O-N 3.25Å; H71-N73 PolarHBondContact O-N 3.43Å; H71-D113 PolarHBondContact CE1-O 3.36Å; H71-D113 VanDerWaalsContact CE1-O 3.27Å
72G90.1Very high95.3Very high11 Ų1130 Ų3011%0.11315%0.145CC..SBendtrans76.82.9-179.100000115S69 P89S69-G72 PolarHBondContact O-N 2.9Å; G72-P89 WeakPolarHBondContact O-CG 3.44Å
73N91.1Very high95.2Very high115 Ų11530 Ų3062%0.61515%0.145SC*.SBendtrans-80.7-17.3-177.3-65.6-18.6000113.6H71 P89H71-N73 PolarHBondContact O-N 3.43Å; N73-P89 WeakPolarHBondContact O-CD 3.32Å
74L93.8Very high95.2Very high46 Ų4630 Ų3024%0.24115%0.145CC..  trans-139.3151-177.4-67.7172.3000109.9S69 L86 W87 I88 F110S69-L74 PolarHBondContact N-O 3.41Å; S69-L74 PolarHBondContact OG-N 3.23Å; S69-L74 PolarHBondContact OG-O 3.22Å; L74-L86 HydrophobicContact CD1-CD1 4.44Å; L74-W87 WeakPolarHBondContact CA-O 3.42Å; L74-I88 HydrophobicContact CD2-CG1 4.45Å; L74-F110 HydrophobicContact CB-CZ 4.36Å
75L95.5Very high95.1Very high1 Ų129.4 Ų29.41%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-124.8123.9172.1-175.179.9000107.7A34 L42 Y56 V66 Q67 F68 L86 W87A34-L75 HydrophobicContact CB-CD1 3.51Å; A34-L75 HydrophobicContact CB-CD2 3.92Å; A34-L75 HydrophobicContact CB-CG 4.35Å; L42-L75 HydrophobicContact CD2-CD2 4.47Å; Y56-L75 HydrophobicContact CD2-CD2 4.43Å; Y56-L75 HydrophobicContact CE2-CD2 4.39Å; V66-L75 HydrophobicContact CG2-CD1 3.64Å; V66-L75 HydrophobicContact CG2-CD2 3.92Å; V66-L75 HydrophobicContact CG2-CG 3.77Å; Q67-L75 CarbonylContact O-C 3.56Å; Q67-L75 WeakPolarHBondContact O-CA 3.44Å; F68-L75 HydrophobicContact CB-CD1 4.46Å; F68-L75 HydrophobicContact CD1-CD1 3.74Å; F68-L75 HydrophobicContact CD2-CD1 3.66Å; F68-L75 HydrophobicContact CE1-CD1 3.83Å; F68-L75 HydrophobicContact CE2-CD1 3.75Å; F68-L75 HydrophobicContact CG-CD1 3.67Å; F68-L75 HydrophobicContact CZ-CD1 3.84Å; L75-L86 CarbonylContact O-C 3.56Å; L75-L86 WeakPolarHBondContact O-CA 3.32Å; L75-W87 HydrophobicContact CB-CB 4.29Å; L75-W87 PolarHBondContact N-O 3.1Å; L75-W87 PolarHBondContact O-N 2.98Å
76A96.8Very high95.1Very high0 Ų029.2 Ų29.20%014%0.139CC..EExtended strand (participates in β ladder)trans-99.8144.7175.500000110.9V66 Q67 R85 L86 V108 F110 L117V66-A76 WeakPolarHBondContact CA-O 3.36Å; Q67-A76 PolarHBondContact N-O 2.67Å; Q67-A76 PolarHBondContact O-N 3.07Å; A76-R85 CarbonylContact C-O 3.59Å; A76-R85 WeakPolarHBondContact CA-O 3.35Å; A76-L86 HydrophobicContact CB-CD2 3.55Å; A76-V108 HydrophobicContact CB-CG1 3.71Å; A76-F110 HydrophobicContact CB-CD2 4.44Å; A76-F110 HydrophobicContact CB-CE2 3.48Å; A76-F110 VanDerWaalsContact CB-CE2 3.48Å; A76-F110 HydrophobicContact CB-CZ 3.77Å; A76-L117 HydrophobicContact CB-CD1 4.03Å; A76-L117 HydrophobicContact CB-CD2 4.45Å
77S97.3Very high95Very high0 Ų029 Ų290%014%0.138CC..EExtended strand (participates in β ladder)trans-138.8138.9174.1630000112.7H59 S65 V84 R85 W87H59-S77 PolarHBondContact NE2-OG 3.11Å; S65-S77 VanDerWaalsContact O-CA 3.26Å; S65-S77 WeakPolarHBondContact O-CA 3.22Å; S77-V84 CarbonylContact O-C 3.52Å; S77-V84 VanDerWaalsContact O-CA 3.22Å; S77-V84 WeakPolarHBondContact O-CA 3.41Å; S77-R85 PolarHBondContact N-O 2.67Å; S77-R85 PolarHBondContact O-N 3.11Å; S77-W87 PolarHBondContact OG-NE1 2.63Å
78A97.3Very high94.8Very high0 Ų031 Ų310%015%0.149CC..EExtended strand (participates in β ladder)trans-103.9158.3170.200000111.4V63 T64 S65 V84 V105 V108V63-A78 CarbonylContact C-O 3.6Å; V63-A78 WeakPolarHBondContact CA-O 3.29Å; V63-A78 WeakPolarHBondContact CG1-O 3.25Å; T64-A78 PolarHBondContact N-O 2.73Å; T64-A78 VanDerWaalsContact OG1-C 3.27Å; T64-A78 WeakPolarHBondContact OG1-CB 3.32Å; T64-A78 PolarHBondContact OG1-O 3.23Å; S65-A78 PolarHBondContact O-N 3.4Å; A78-V84 HydrophobicContact CB-CG2 4.29Å; A78-V105 HydrophobicContact CB-CB 3.7Å; A78-V105 HydrophobicContact CB-CG1 3.49Å; A78-V105 VanDerWaalsContact CB-CG1 3.49Å; A78-V108 HydrophobicContact CB-CG2 3.44Å; A78-V108 VanDerWaalsContact CB-CG2 3.44Å
79S97.4Very high94.6Very high0 Ų031.7 Ų31.70%015%0.153CC..EExtended strand (participates in β ladder)trans-148.7163.7176.5168.60000112H59 D61 V62 D81 R82 T83 V105H59-S79 WeakPolarHBondContact ND1-CB 3.44Å; D61-S79 PolarHBondContact O-OG 3.06Å; V62-S79 WeakPolarHBondContact O-CA 3.45Å; V62-S79 VanDerWaalsContact O-CB 3.3Å; V62-S79 WeakPolarHBondContact O-CB 3.39Å; V62-S79 PolarHBondContact O-OG 2.8Å; S79-D81 WeakPolarHBondContact CB-OD1 3.38Å; S79-D81 PolarHBondContact O-N 2.84Å; S79-D81 PolarHBondContact OG-N 3.26Å; S79-D81 PolarHBondContact OG-OD1 3.22Å; S79-R82 PolarHBondContact O-N 2.91Å; S79-T83 PolarHBondContact N-O 3Å; S79-V105 PolarHBondContact O-N 3.2Å; S79-V105 VanDerWaalsContact O-N 3.16Å
80R96.8Very high94.2Very high82 Ų8235.8 Ų35.831%0.30918%0.175SC..THydrogen-bonded Turntrans-63.2-15.7165.9-64.8-172.2-178.7156.90.7113.8D61 V62 T64 R82 P104D61-R80 HydrophobicContact CB-CB 4.12Å; D61-R80 WeakPolarHBondContact OD2-CB 3.24Å; V62-R80 HydrophobicContact CB-CG 4.22Å; V62-R80 PolarHBondContact O-N 2.86Å; T64-R80 HydrophobicContact CG2-CG 3.97Å; R80-R82 PolarHBondContact O-N 3Å; R80-P104 HydrophobicContact CB-CB 4.25Å; R80-P104 HydrophobicContact CB-CG 4.37Å; R80-P104 HydrophobicContact CG-CB 4.18Å
81D95.8Very high93.9Very high28 Ų2842.6 Ų42.615%0.1520%0.203CC..THydrogen-bonded Turntrans-684.9170.3802.4000114.3H59 K60 D61 S79 T83 R85H59-D81 WeakPolarHBondContact CA-OD2 3.27Å; H59-D81 IonicContact CE1-OD1 2.67Å; H59-D81 IonicContact CG-OD2 3.18Å; H59-D81 IonicContact ND1-OD1 3.31Å; H59-D81 PolarHBondContact ND1-OD1 2.99Å; H59-D81 IonicContact ND1-OD2 2.8Å; H59-D81 PolarHBondContact ND1-OD2 3.23Å; H59-D81 VanDerWaalsContact ND1-OD2 3.09Å; K60-D81 HydrophobicContact CB-CB 3.98Å; K60-D81 PolarHBondContact N-OD2 2.91Å; D61-D81 HydrophobicContact CB-CB 4.04Å; S79-D81 WeakPolarHBondContact CB-OD1 3.38Å; S79-D81 PolarHBondContact O-N 2.84Å; S79-D81 PolarHBondContact OG-N 3.26Å; S79-D81 PolarHBondContact OG-OD1 3.22Å; D81-T83 PolarHBondContact O-N 3.32Å; D81-T83 WeakPolarHBondContact OD1-CB 3.41Å; D81-T83 PolarHBondContact OD1-N 2.91Å; D81-T83 PolarHBondContact OD1-OG1 2.97Å; D81-T83 PolarHBondContact OD2-OG1 2.87Å; D81-R85 IonicContact OD1-NH1 2.7Å; D81-R85 IonicContact OD2-CZ 3.83Å; D81-R85 IonicContact OD2-NH1 3.31Å; D81-R85 PolarHBondContact OD2-NH1 2.87Å; D81-R85 IonicContact OD2-NH2 3.84Å
82R95.7Very high93.6Very high138 Ų13847.4 Ų47.452%0.52122%0.216SC..SBendtrans70.54.5175.5-38.8-178.3-171.2-175.910114S79 R80 A100 T102S79-R82 PolarHBondContact O-N 2.91Å; R80-R82 PolarHBondContact O-N 3Å; R82-A100 PolarHBondContact O-N 2.94Å; R82-T102 VanDerWaalsContact CD-O 3.31Å; R82-T102 WeakPolarHBondContact CD-O 3.48Å; R82-T102 PolarHBondContact NH1-O 3.3Å
83T95.8Very high93.3Very high9 Ų947.5 Ų47.56%0.05522%0.217CC..EExtended strand (participates in β ladder)trans-101.5156.9177.675.20000112.1H59 S79 D81 R85 E97 F98H59-T83 PolarHBondContact CE1-OG1 3.04Å; H59-T83 PolarHBondContact ND1-OG1 2.84Å; S79-T83 PolarHBondContact N-O 3Å; D81-T83 PolarHBondContact O-N 3.32Å; D81-T83 WeakPolarHBondContact OD1-CB 3.41Å; D81-T83 PolarHBondContact OD1-N 2.91Å; D81-T83 PolarHBondContact OD1-OG1 2.97Å; D81-T83 PolarHBondContact OD2-OG1 2.87Å; T83-R85 PolarHBondContact OG1-NH1 3.28Å; T83-E97 HydrophobicContact CG2-CG 4.12Å; T83-F98 CarbonylContact C-O 3.53Å; T83-F98 WeakPolarHBondContact CA-O 3.41Å; T83-F98 VanDerWaalsContact CB-O 3.32Å; T83-F98 WeakPolarHBondContact CB-O 3.24Å
84V96.5Very high93.3Very high1 Ų148.5 Ų48.51%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-115.1131.2161.9174.10000107.7S77 A78 F98 A100 V105 V108 L117 T119S77-V84 CarbonylContact O-C 3.52Å; S77-V84 VanDerWaalsContact O-CA 3.22Å; S77-V84 WeakPolarHBondContact O-CA 3.41Å; A78-V84 HydrophobicContact CB-CG2 4.29Å; V84-F98 HydrophobicContact CB-CD2 4.47Å; V84-F98 HydrophobicContact CG1-CD2 4.41Å; V84-F98 PolarHBondContact N-O 3.22Å; V84-F98 PolarHBondContact O-N 3.11Å; V84-A100 HydrophobicContact CB-CB 4.39Å; V84-A100 HydrophobicContact CG2-CB 3.92Å; V84-V105 HydrophobicContact CG2-CB 4.43Å; V84-V105 HydrophobicContact CG2-CG1 3.92Å; V84-V105 HydrophobicContact CG2-CG2 4.27Å; V84-V108 HydrophobicContact CG1-CG2 4.15Å; V84-V108 HydrophobicContact CG2-CG2 4.09Å; V84-L117 HydrophobicContact CG1-CD2 4.03Å; V84-T119 HydrophobicContact CG2-CG2 3.86Å
85R95.9Very high93.3Very high3 Ų350.7 Ų50.71%0.01122%0.223CC..EExtended strand (participates in β ladder)trans-111.6138176.4-71.4-175.8174.2851.3110.8G58 H59 A76 S77 D81 T83 W87 F95 S96 E97G58-R85 PolarHBondContact O-NH1 2.98Å; G58-R85 PolarHBondContact O-NH2 2.84Å; H59-R85 VanDerWaalsContact CA-NH1 3.34Å; H59-R85 PolarHBondContact CE1-NH1 2.75Å; H59-R85 VanDerWaalsContact CE1-NH1 3.33Å; H59-R85 VanDerWaalsContact CG-NH1 3.29Å; H59-R85 PolarHBondContact ND1-NH1 2.74Å; A76-R85 CarbonylContact C-O 3.59Å; A76-R85 WeakPolarHBondContact CA-O 3.35Å; S77-R85 PolarHBondContact N-O 2.67Å; S77-R85 PolarHBondContact O-N 3.11Å; D81-R85 IonicContact OD1-NH1 2.7Å; D81-R85 IonicContact OD2-CZ 3.83Å; D81-R85 IonicContact OD2-NH1 3.31Å; D81-R85 PolarHBondContact OD2-NH1 2.87Å; D81-R85 IonicContact OD2-NH2 3.84Å; T83-R85 PolarHBondContact OG1-NH1 3.28Å; R85-W87 HydrophobicContact CB-CZ2 4.11Å; R85-F95 HydrophobicContact CB-CD2 4.46Å; R85-F95 HydrophobicContact CG-CD2 4.03Å; R85-F95 HydrophobicContact CG-CE2 4.45Å; R85-S96 CarbonylContact C-O 3.59Å; R85-S96 VanDerWaalsContact CA-O 3.24Å; R85-S96 WeakPolarHBondContact CA-O 3.3Å; R85-E97 HydrophobicContact CG-CB 4.2Å; R85-E97 HydrophobicContact CG-CG 4.29Å; R85-E97 IonicContact CZ-OE2 3.5Å; R85-E97 VanDerWaalsContact CZ-OE2 3.31Å; R85-E97 IonicContact NE-OE2 2.87Å; R85-E97 PolarHBondContact NE-OE2 3.37Å; R85-E97 IonicContact NH2-OE1 3.54Å; R85-E97 PolarHBondContact NH2-OE1 2.86Å; R85-E97 IonicContact NH2-OE2 2.7Å; R85-E97 PolarHBondContact NH2-OE2 3.38Å
86L95.7Very high93.1Very high5 Ų552.6 Ų52.63%0.02624%0.237CC..EExtended strand (participates in β ladder)trans-103.6115.2169.7-64.6-172.8000109.1L74 L75 A76 F95 S96 F98 F110 L117 M131L74-L86 HydrophobicContact CD1-CD1 4.44Å; L75-L86 CarbonylContact O-C 3.56Å; L75-L86 WeakPolarHBondContact O-CA 3.32Å; A76-L86 HydrophobicContact CB-CD2 3.55Å; L86-F95 CarbonylContact O-C 3.48Å; L86-F95 WeakPolarHBondContact O-CA 3.37Å; L86-F95 WeakPolarHBondContact O-CB 3.4Å; L86-S96 PolarHBondContact N-O 2.87Å; L86-S96 PolarHBondContact O-N 2.78Å; L86-F98 HydrophobicContact CD1-CE2 3.58Å; L86-F98 HydrophobicContact CD1-CZ 3.48Å; L86-F98 VanDerWaalsContact CD1-CZ 3.48Å; L86-F98 HydrophobicContact CD2-CE2 4.3Å; L86-F98 HydrophobicContact CG-CE2 3.56Å; L86-F98 HydrophobicContact CG-CZ 3.79Å; L86-F110 HydrophobicContact CD2-CZ 4.17Å; L86-L117 HydrophobicContact CD2-CD2 4.39Å; L86-M131 HydrophobicContact CD1-CE 4.46Å; L86-M131 HydrophobicContact CD1-SD 3.75Å; L86-M131 HydrophobicContact CD2-SD 4.24Å
87W95.4Very high92.8Very high1 Ų156.4 Ų56.40%0.00426%0.255CS..EExtended strand (participates in β ladder)trans-99.7145.2178-47.279.1000110.7L42 Y56 L74 L75 S77 R85 K94 F95L42-W87 HydrophobicContact CD1-CZ2 3.94Å; Y56-W87 HydrophobicContact CD2-CB 4.42Å; Y56-W87 HydrophobicContact CD2-CD2 4.3Å; Y56-W87 HydrophobicContact CD2-CE3 4.21Å; Y56-W87 HydrophobicContact CD2-CG 4.39Å; Y56-W87 HydrophobicContact CG-CD2 4.44Å; Y56-W87 AromaticContact CG-CE3 3.95Å; Y56-W87 HydrophobicContact CG-CE3 3.95Å; Y56-W87 HydrophobicContact CG-CZ3 4.35Å; L74-W87 WeakPolarHBondContact CA-O 3.42Å; L75-W87 HydrophobicContact CB-CB 4.29Å; L75-W87 PolarHBondContact N-O 3.1Å; L75-W87 PolarHBondContact O-N 2.98Å; S77-W87 PolarHBondContact OG-NE1 2.63Å; R85-W87 HydrophobicContact CB-CZ2 4.11Å; W87-K94 WeakPolarHBondContact CA-O 3.41Å; W87-F95 HydrophobicContact CD2-CB 3.79Å; W87-F95 HydrophobicContact CD2-CG 4.5Å; W87-F95 HydrophobicContact CE3-CB 3.65Å; W87-F95 AromaticContact CE3-CD1 3.82Å; W87-F95 HydrophobicContact CE3-CD1 3.82Å; W87-F95 HydrophobicContact CE3-CG 4.11Å; W87-F95 HydrophobicContact CG-CB 4.27Å; W87-F95 HydrophobicContact CH2-CB 4.44Å; W87-F95 AromaticContact CH2-CD1 3.66Å; W87-F95 HydrophobicContact CH2-CD1 3.66Å; W87-F95 HydrophobicContact CH2-CE1 4.08Å; W87-F95 HydrophobicContact CH2-CG 4.13Å; W87-F95 HydrophobicContact CZ2-CD1 4.47Å; W87-F95 HydrophobicContact CZ3-CB 4Å; W87-F95 AromaticContact CZ3-CD1 3.28Å; W87-F95 HydrophobicContact CZ3-CD1 3.28Å; W87-F95 AromaticContact CZ3-CE1 3.99Å; W87-F95 HydrophobicContact CZ3-CE1 3.99Å; W87-F95 AromaticContact CZ3-CG 3.91Å; W87-F95 HydrophobicContact CZ3-CG 3.91Å
88I94.1Very high92.3Very high71 Ų7157.2 Ų57.236%0.36426%0.258SS..  trans-85126.3161.9-54.8177.3000106.9L74 D90 K94L74-I88 HydrophobicContact CD2-CG1 4.45Å; I88-D90 HydrophobicContact CG2-CB 4.03Å; I88-D90 PolarHBondContact O-N 3.41Å; I88-K94 HydrophobicContact CD1-CB 4.3Å; I88-K94 PolarHBondContact N-O 2.91Å
89P91Very high92Very high19 Ų1965.9 Ų65.912%0.12330%0.296CS..SBendtrans-7547.6-175.130.5-34.5000113.6L44 Y56 F68 G72 N73L44-P89 HydrophobicContact CD2-CB 3.81Å; Y56-P89 WeakPolarHBondContact OH-CA 3.44Å; F68-P89 HydrophobicContact CE1-CB 4.19Å; G72-P89 WeakPolarHBondContact O-CG 3.44Å; N73-P89 WeakPolarHBondContact O-CD 3.32Å
90D87.3Confident91.4Very high94 Ų9466 Ų6650%0.50330%0.297SS..SBendtrans-106.1164.7-175.2-118.3-26.1000111.7Y56 I88 R92 G93Y56-D90 WeakPolarHBondContact CE1-O 3.2Å; Y56-D90 PolarHBondContact OH-N 3.1Å; Y56-D90 VanDerWaalsContact OH-N 3.08Å; Y56-D90 PolarHBondContact OH-O 3.11Å; I88-D90 HydrophobicContact CG2-CB 4.03Å; I88-D90 PolarHBondContact O-N 3.41Å; D90-R92 PolarHBondContact O-N 3.43Å; D90-G93 PolarHBondContact O-N 2.74Å; D90-G93 VanDerWaalsContact O-N 3.13Å
91K84.7Confident91.2Very high161 Ų16162.8 Ų62.870%0.729%0.285SS*.THydrogen-bonded Turntrans-56.8-20.8175.7-50.6-165-178.1178.30114.2Y54Y54-K91 HydrophobicContact CE1-CB 4.26Å; Y54-K91 HydrophobicContact CE1-CD 4.43Å; Y54-K91 HydrophobicContact CE1-CG 4.08Å; Y54-K91 HydrophobicContact CE2-CG 4.08Å; Y54-K91 WeakPolarHBondContact OH-CE 3.47Å
92R82.7Confident91.1Very high211 Ų21165.8 Ų65.880%0.79631%0.305SS*.THydrogen-bonded Turntrans-91.8-14.2-176.4-60-170-170.9-156.46.1114.2D90 K94D90-R92 PolarHBondContact O-N 3.43Å; R92-K94 VanDerWaalsContact C-N 3.26Å; R92-K94 HydrophobicContact CB-CG 4.49Å; R92-K94 PolarHBondContact O-N 2.87Å
93G82.1Confident91.2Very high12 Ų1260.1 Ų60.112%0.12429%0.288CS..  trans53.437.1179.500000115.1Y56 D90Y56-G93 VanDerWaalsContact CD1-CA 3.5Å; D90-G93 PolarHBondContact O-N 2.74Å; D90-G93 VanDerWaalsContact O-N 3.13Å
94K91.5Very high91.2Very high137 Ų13760.9 Ų60.960%0.59629%0.293SS*.  trans-62.1138175.6-74.8-171.7172.8-170.80109.8W87 I88 R92W87-K94 WeakPolarHBondContact CA-O 3.41Å; I88-K94 HydrophobicContact CD1-CB 4.3Å; I88-K94 PolarHBondContact N-O 2.91Å; R92-K94 VanDerWaalsContact C-N 3.26Å; R92-K94 HydrophobicContact CB-CG 4.49Å; R92-K94 PolarHBondContact O-N 2.87Å
95F93.3Very high91.3Very high91 Ų9160.8 Ų60.840%0.39929%0.292SS..EExtended strand (participates in β ladder)trans-134.1159.4175.967.3-92.4000114.5R85 L86 W87 E97R85-F95 HydrophobicContact CB-CD2 4.46Å; R85-F95 HydrophobicContact CG-CD2 4.03Å; R85-F95 HydrophobicContact CG-CE2 4.45Å; L86-F95 CarbonylContact O-C 3.48Å; L86-F95 WeakPolarHBondContact O-CA 3.37Å; L86-F95 WeakPolarHBondContact O-CB 3.4Å; W87-F95 HydrophobicContact CD2-CB 3.79Å; W87-F95 HydrophobicContact CD2-CG 4.5Å; W87-F95 HydrophobicContact CE3-CB 3.65Å; W87-F95 AromaticContact CE3-CD1 3.82Å; W87-F95 HydrophobicContact CE3-CD1 3.82Å; W87-F95 HydrophobicContact CE3-CG 4.11Å; W87-F95 HydrophobicContact CG-CB 4.27Å; W87-F95 HydrophobicContact CH2-CB 4.44Å; W87-F95 AromaticContact CH2-CD1 3.66Å; W87-F95 HydrophobicContact CH2-CD1 3.66Å; W87-F95 HydrophobicContact CH2-CE1 4.08Å; W87-F95 HydrophobicContact CH2-CG 4.13Å; W87-F95 HydrophobicContact CZ2-CD1 4.47Å; W87-F95 HydrophobicContact CZ3-CB 4Å; W87-F95 AromaticContact CZ3-CD1 3.28Å; W87-F95 HydrophobicContact CZ3-CD1 3.28Å; W87-F95 AromaticContact CZ3-CE1 3.99Å; W87-F95 HydrophobicContact CZ3-CE1 3.99Å; W87-F95 AromaticContact CZ3-CG 3.91Å; W87-F95 HydrophobicContact CZ3-CG 3.91Å; F95-E97 HydrophobicContact CD2-CB 4.45Å; F95-E97 HydrophobicContact CE2-CB 4.36Å
96S91.8Very high91.3Very high41 Ų4163.2 Ų63.229%0.28730%0.302SS..EExtended strand (participates in β ladder)trans-109.2151.8160.9-170.50000108.9R85 L86 Q134R85-S96 CarbonylContact C-O 3.59Å; R85-S96 VanDerWaalsContact CA-O 3.24Å; R85-S96 WeakPolarHBondContact CA-O 3.3Å; L86-S96 PolarHBondContact N-O 2.87Å; L86-S96 PolarHBondContact O-N 2.78Å; S96-Q134 PolarHBondContact OG-OE1 3.03Å
97E91.8Very high91.4Very high81 Ų8163.2 Ų63.238%0.37930%0.302SS..EExtended strand (participates in β ladder)trans-124.4127.4-174.6178.8178.8149.200111.5T83 R85 F95T83-E97 HydrophobicContact CG2-CG 4.12Å; R85-E97 HydrophobicContact CG-CB 4.2Å; R85-E97 HydrophobicContact CG-CG 4.29Å; R85-E97 IonicContact CZ-OE2 3.5Å; R85-E97 VanDerWaalsContact CZ-OE2 3.31Å; R85-E97 IonicContact NE-OE2 2.87Å; R85-E97 PolarHBondContact NE-OE2 3.37Å; R85-E97 IonicContact NH2-OE1 3.54Å; R85-E97 PolarHBondContact NH2-OE1 2.86Å; R85-E97 IonicContact NH2-OE2 2.7Å; R85-E97 PolarHBondContact NH2-OE2 3.38Å; F95-E97 HydrophobicContact CD2-CB 4.45Å; F95-E97 HydrophobicContact CE2-CB 4.36Å
98F87Confident91.5Very high17 Ų1763.3 Ų63.38%0.07530%0.302CS..EExtended strand (participates in β ladder)trans-113.2124.9175.6-49.8-33.5000110.2T83 V84 L86 A100 M131 Q134T83-F98 CarbonylContact C-O 3.53Å; T83-F98 WeakPolarHBondContact CA-O 3.41Å; T83-F98 VanDerWaalsContact CB-O 3.32Å; T83-F98 WeakPolarHBondContact CB-O 3.24Å; V84-F98 HydrophobicContact CB-CD2 4.47Å; V84-F98 HydrophobicContact CG1-CD2 4.41Å; V84-F98 PolarHBondContact N-O 3.22Å; V84-F98 PolarHBondContact O-N 3.11Å; L86-F98 HydrophobicContact CD1-CE2 3.58Å; L86-F98 HydrophobicContact CD1-CZ 3.48Å; L86-F98 VanDerWaalsContact CD1-CZ 3.48Å; L86-F98 HydrophobicContact CD2-CE2 4.3Å; L86-F98 HydrophobicContact CG-CE2 3.56Å; L86-F98 HydrophobicContact CG-CZ 3.79Å; F98-A100 VanDerWaalsContact C-N 3.28Å; F98-A100 PolarHBondContact O-N 2.81Å; F98-M131 HydrophobicContact CE2-CE 4.22Å; F98-Q134 HydrophobicContact CE1-CB 3.71Å; F98-Q134 HydrophobicContact CE1-CG 4.23Å; F98-Q134 HydrophobicContact CZ-CB 3.67Å; F98-Q134 HydrophobicContact CZ-CG 3.85Å
99K89.7Confident91.7Very high181 Ų18160.5 Ų60.579%0.78729%0.288SS*.EExtended strand (participates in β ladder)trans-75.785.2162.5-67.6179.1-177.21740108.1
100A84.2Confident91.9Very high3 Ų360 Ų603%0.02528%0.284CS..  trans-76.1-44.6-169.900000112.3R82 V84 F98 V105 K127 W129R82-A100 PolarHBondContact O-N 2.94Å; V84-A100 HydrophobicContact CB-CB 4.39Å; V84-A100 HydrophobicContact CG2-CB 3.92Å; F98-A100 VanDerWaalsContact C-N 3.28Å; F98-A100 PolarHBondContact O-N 2.81Å; A100-V105 HydrophobicContact CB-CG2 4.42Å; A100-K127 VanDerWaalsContact O-CD 3.27Å; A100-K127 WeakPolarHBondContact O-CD 3.34Å; A100-W129 VanDerWaalsContact CA-CZ2 3.46Å; A100-W129 HydrophobicContact CB-CH2 4.28Å; A100-W129 HydrophobicContact CB-CZ2 3.69Å
101H94.3Very high92.3Very high14 Ų1455.5 Ų55.57%0.06526%0.26CS..  trans-135.5164-165.6-76.5-86.1000112.6A103 V105 T119 S121 D123 S125H101-A103 WeakPolarHBondContact CB-O 3.48Å; H101-V105 HydrophobicContact CB-CG2 3.99Å; H101-T119 PolarHBondContact NE2-O 3.31Å; H101-T119 PolarHBondContact NE2-OG1 3Å; H101-S121 WeakPolarHBondContact CB-OG 3.37Å; H101-S121 VanDerWaalsContact CE1-CB 3.46Å; H101-S121 WeakPolarHBondContact CE1-CB 3.39Å; H101-S121 WeakPolarHBondContact ND1-CB 3.48Å; H101-D123 WeakPolarHBondContact CA-OD2 3.27Å; H101-D123 WeakPolarHBondContact CB-OD2 3.48Å; H101-D123 IonicContact CE1-OD1 3.85Å; H101-D123 IonicContact CG-OD2 3.09Å; H101-D123 VanDerWaalsContact ND1-CG 3.28Å; H101-D123 IonicContact ND1-OD1 3.25Å; H101-D123 PolarHBondContact ND1-OD1 2.87Å; H101-D123 IonicContact ND1-OD2 3.73Å; H101-D123 PolarHBondContact ND1-OD2 2.7Å; H101-S125 PolarHBondContact CE1-OG 3.15Å; H101-S125 PolarHBondContact ND1-OG 3.4Å
102T93.8Very high92.5Very high91 Ų9148.6 Ų48.656%0.55823%0.233SC*.SBendtrans-84-14.9177.761.60000113R82 D123R82-T102 VanDerWaalsContact CD-O 3.31Å; R82-T102 WeakPolarHBondContact CD-O 3.48Å; R82-T102 PolarHBondContact NH1-O 3.3Å; T102-D123 PolarHBondContact N-OD2 2.95Å; T102-D123 VanDerWaalsContact OG1-CB 3.28Å; T102-D123 WeakPolarHBondContact OG1-CB 3.49Å; T102-D123 PolarHBondContact OG1-OD2 3.05Å
103A96.2Very high92.8Very high20 Ų2039.6 Ų39.617%0.16520%0.201CC..SBendtrans-132.9176.6179.200000110.9H101 V105 S121 E122 D123H101-A103 WeakPolarHBondContact CB-O 3.48Å; A103-V105 PolarHBondContact O-N 3.32Å; A103-S121 PolarHBondContact O-OG 2.93Å; A103-E122 HydrophobicContact CB-CB 4.17Å; A103-D123 HydrophobicContact CB-CB 3.83Å
104P97.1Very high93.3Very high24 Ų2439.7 Ų39.716%0.15620%0.202CC..  trans-49.9133.6178.8-3642.4000115.2R80 S121 E122R80-P104 HydrophobicContact CB-CB 4.25Å; R80-P104 HydrophobicContact CB-CG 4.37Å; R80-P104 HydrophobicContact CG-CB 4.18Å; P104-S121 WeakPolarHBondContact O-CA 3.25Å; P104-S121 PolarHBondContact O-OG 2.59Å; P104-E122 HydrophobicContact CB-CB 4.42Å; P104-E122 HydrophobicContact CB-CG 4.24Å; P104-E122 WeakPolarHBondContact CB-OE2 3.29Å; P104-E122 VanDerWaalsContact CG-OE2 3.23Å; P104-E122 WeakPolarHBondContact CG-OE2 3.41Å; P104-E122 PolarHBondContact O-N 2.91Å
105V97.8Very high93.3Very high0 Ų038.5 Ų38.50%020%0.199CC..EExtended strand (participates in β ladder)trans-87.4134.2174.6-168.10000108.8T64 A78 S79 V84 A100 H101 A103 A120T64-V105 WeakPolarHBondContact CB-O 3.18Å; T64-V105 WeakPolarHBondContact CG2-O 3.3Å; T64-V105 PolarHBondContact OG1-O 3.43Å; A78-V105 HydrophobicContact CB-CB 3.7Å; A78-V105 HydrophobicContact CB-CG1 3.49Å; A78-V105 VanDerWaalsContact CB-CG1 3.49Å; S79-V105 PolarHBondContact O-N 3.2Å; S79-V105 VanDerWaalsContact O-N 3.16Å; V84-V105 HydrophobicContact CG2-CB 4.43Å; V84-V105 HydrophobicContact CG2-CG1 3.92Å; V84-V105 HydrophobicContact CG2-CG2 4.27Å; A100-V105 HydrophobicContact CB-CG2 4.42Å; H101-V105 HydrophobicContact CB-CG2 3.99Å; A103-V105 PolarHBondContact O-N 3.32Å; V105-A120 CarbonylContact C-O 3.56Å; V105-A120 VanDerWaalsContact CG1-O 3.3Å; V105-A120 WeakPolarHBondContact CG1-O 3.36Å
106R96.9Very high93.4Very high54 Ų5437.5 Ų37.520%0.20419%0.194CC..EExtended strand (participates in β ladder)trans-108.7-36-172.2-64-53-60.4-111.3-4.6114.5A120 E122R106-A120 PolarHBondContact N-O 2.91Å; R106-E122 VanDerWaalsContact CD-OE1 3.31Å; R106-E122 WeakPolarHBondContact CD-OE1 3.23Å; R106-E122 HydrophobicContact CG-CG 3.9Å; R106-E122 IonicContact CZ-OE1 3.02Å; R106-E122 IonicContact NE-OE1 3.41Å; R106-E122 IonicContact NH1-OE1 2.84Å; R106-E122 PolarHBondContact NH1-OE1 3.3Å
107S96.9Very high93.6Very high5 Ų535.6 Ų35.64%0.03518%0.181CC..EExtended strand (participates in β ladder)trans-140.3157.6172.880.70000112.4S65 T119 A120 C149 A150S65-S107 WeakPolarHBondContact OG-CA 3.34Å; S107-T119 WeakPolarHBondContact O-CA 3.49Å; S107-A120 PolarHBondContact N-O 2.79Å; S107-A120 PolarHBondContact O-N 2.8Å; S107-A120 WeakPolarHBondContact OG-CB 3.32Å; S107-C149 WeakPolarHBondContact OG-CA 3.22Å; S107-A150 PolarHBondContact OG-N 2.99Å
108V97.4Very high93.8Very high2 Ų231.7 Ų31.71%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-130.1147.4169-175.70000107.9S65 Q67 A76 A78 V84 L117 A118 T119S65-V108 PolarHBondContact OG-N 3.26Å; Q67-V108 PolarHBondContact OE1-O 3.18Å; A76-V108 HydrophobicContact CB-CG1 3.71Å; A78-V108 HydrophobicContact CB-CG2 3.44Å; A78-V108 VanDerWaalsContact CB-CG2 3.44Å; V84-V108 HydrophobicContact CG1-CG2 4.15Å; V84-V108 HydrophobicContact CG2-CG2 4.09Å; V108-L117 HydrophobicContact CG1-CD1 3.51Å; V108-L117 HydrophobicContact CG1-CD2 3.75Å; V108-L117 HydrophobicContact CG1-CG 3.63Å; V108-A118 CarbonylContact C-O 3.52Å; V108-A118 WeakPolarHBondContact CA-O 3.48Å; V108-T119 HydrophobicContact CG2-CG2 4.45Å
109D97.4Very high94.3Very high12 Ų1230.9 Ų30.96%0.06416%0.159CC..EExtended strand (participates in β ladder)trans-148.8138.3172.7-167.760.6000111.6Q67 L117 A118 K151 F152Q67-D109 VanDerWaalsContact CD-OD1 3.27Å; Q67-D109 PolarHBondContact NE2-OD1 3.25Å; Q67-D109 PolarHBondContact OE1-OD1 2.85Å; D109-L117 CarbonylContact O-C 3.55Å; D109-L117 VanDerWaalsContact O-CA 3.31Å; D109-L117 WeakPolarHBondContact O-CA 3.34Å; D109-A118 PolarHBondContact N-O 2.69Å; D109-A118 PolarHBondContact O-N 3.37Å; D109-K151 HydrophobicContact CB-CD 3.78Å; D109-K151 WeakPolarHBondContact OD1-CD 3.37Å; D109-K151 IonicContact OD1-NZ 3.76Å; D109-K151 PolarHBondContact OD1-NZ 3.4Å; D109-F152 PolarHBondContact OD2-N 2.88Å
110F96.5Very high94.7Very high8 Ų822.3 Ų22.34%0.03512%0.122CC..EExtended strand (participates in β ladder)trans-92.6138171.9-78.1-86.3000110.5Q67 F68 L74 A76 L86 L117 M131Q67-F110 HydrophobicContact CG-CD2 4.31Å; F68-F110 WeakPolarHBondContact O-CD2 3.46Å; L74-F110 HydrophobicContact CB-CZ 4.36Å; A76-F110 HydrophobicContact CB-CD2 4.44Å; A76-F110 HydrophobicContact CB-CE2 3.48Å; A76-F110 VanDerWaalsContact CB-CE2 3.48Å; A76-F110 HydrophobicContact CB-CZ 3.77Å; L86-F110 HydrophobicContact CD2-CZ 4.17Å; F110-L117 HydrophobicContact CB-CD1 4.47Å; F110-L117 HydrophobicContact CD1-CD1 3.51Å; F110-L117 HydrophobicContact CD2-CD1 3.74Å; F110-L117 HydrophobicContact CE1-CD1 3.57Å; F110-L117 HydrophobicContact CE2-CD1 3.8Å; F110-L117 HydrophobicContact CG-CD1 3.61Å; F110-L117 HydrophobicContact CZ-CD1 3.71Å; F110-M131 HydrophobicContact CD1-CG 4.26Å; F110-M131 HydrophobicContact CE1-CG 3.94Å; F110-M131 HydrophobicContact CE1-SD 3.81Å
111S94.8Very high95.3Very high1 Ų122.1 Ų22.11%0.00712%0.121CC..  trans-60.2155166.358.30000110.9P70 D113 G114 Q115 F116 F152P70-S111 VanDerWaalsContact CG-O 3.28Å; P70-S111 WeakPolarHBondContact CG-O 3.47Å; S111-D113 WeakPolarHBondContact CB-OD1 3.26Å; S111-D113 PolarHBondContact O-N 2.99Å; S111-D113 VanDerWaalsContact O-N 3.12Å; S111-D113 PolarHBondContact OG-OD1 3.37Å; S111-G114 WeakPolarHBondContact O-CA 3.34Å; S111-G114 PolarHBondContact O-N 2.96Å; S111-Q115 PolarHBondContact OG-N 3.49Å; S111-F116 PolarHBondContact N-O 3.21Å; S111-F116 WeakPolarHBondContact OG-CB 3.38Å; S111-F116 PolarHBondContact OG-N 2.8Å; S111-F116 PolarHBondContact OG-O 2.99Å; S111-F152 VanDerWaalsContact N-CD2 3.3Å
112A90.3Very high95.4Very high16 Ų1622.8 Ų22.813%0.13212%0.123CC..THydrogen-bonded Turntrans-63.2-21.1-173.300000114.9P70 P154 N313 L317P70-A112 WeakPolarHBondContact CB-O 3.5Å; P70-A112 WeakPolarHBondContact CG-O 3.35Å; A112-P154 WeakPolarHBondContact CB-O 3.48Å; A112-N313 HydrophobicContact CB-CB 4.15Å; A112-L317 HydrophobicContact CB-CD1 4.18Å
113D89Confident95.5Very high21 Ų2119.9 Ų19.911%0.11211%0.105CC..THydrogen-bonded Turntrans-86.5-11.4170.563-5.2000114H71 S111 Q115 L314 L317H71-D113 PolarHBondContact CE1-O 3.36Å; H71-D113 VanDerWaalsContact CE1-O 3.27Å; S111-D113 WeakPolarHBondContact CB-OD1 3.26Å; S111-D113 PolarHBondContact O-N 2.99Å; S111-D113 VanDerWaalsContact O-N 3.12Å; S111-D113 PolarHBondContact OG-OD1 3.37Å; D113-Q115 HydrophobicContact CB-CG 4.27Å; D113-Q115 PolarHBondContact O-N 3.27Å; D113-Q115 PolarHBondContact OD1-N 2.85Å; D113-Q115 WeakPolarHBondContact OD2-CB 3.23Å; D113-Q115 VanDerWaalsContact OD2-CD 3.28Å; D113-Q115 VanDerWaalsContact OD2-CG 3.26Å; D113-Q115 WeakPolarHBondContact OD2-CG 3.47Å; D113-Q115 PolarHBondContact OD2-NE2 3.02Å; D113-L314 HydrophobicContact CB-CD2 4.32Å; D113-L317 HydrophobicContact CB-CD1 3.94Å
114G90.8Very high95.5Very high15 Ų1523.6 Ų23.616%0.15512%0.117CC..SBendtrans70.99.9-173.900000115.2S111S111-G114 WeakPolarHBondContact O-CA 3.34Å; S111-G114 PolarHBondContact O-N 2.96Å
115Q92.1Very high95.4Very high111 Ų11122.5 Ų22.552%0.51911%0.11SC..SBendtrans-78.4-26.9179.1-67.1-170.367.800113S111 D113 M131S111-Q115 PolarHBondContact OG-N 3.49Å; D113-Q115 HydrophobicContact CB-CG 4.27Å; D113-Q115 PolarHBondContact O-N 3.27Å; D113-Q115 PolarHBondContact OD1-N 2.85Å; D113-Q115 WeakPolarHBondContact OD2-CB 3.23Å; D113-Q115 VanDerWaalsContact OD2-CD 3.28Å; D113-Q115 VanDerWaalsContact OD2-CG 3.26Å; D113-Q115 WeakPolarHBondContact OD2-CG 3.47Å; D113-Q115 PolarHBondContact OD2-NE2 3.02Å; Q115-M131 PolarHBondContact O-N 3.35Å
116F94.9Very high95.3Very high71 Ų7122.5 Ų22.531%0.31111%0.11SC..EExtended strand (participates in β ladder)trans-123.7156.2-176.3-52.5-77.6000112.3S111 V128 W129 L137 F152S111-F116 PolarHBondContact N-O 3.21Å; S111-F116 WeakPolarHBondContact OG-CB 3.38Å; S111-F116 PolarHBondContact OG-N 2.8Å; S111-F116 PolarHBondContact OG-O 2.99Å; F116-V128 HydrophobicContact CB-CG1 4.38Å; F116-W129 CarbonylContact C-O 3.53Å; F116-W129 VanDerWaalsContact CA-O 3.24Å; F116-W129 WeakPolarHBondContact CA-O 3.25Å; F116-L137 HydrophobicContact CD1-CD1 3.59Å; F116-L137 HydrophobicContact CE1-CD1 3.58Å; F116-F152 HydrophobicContact CB-CE2 4.27Å; F116-F152 HydrophobicContact CB-CZ 3.74Å
117L96.5Very high95.3Very high0 Ų020.4 Ų20.40%010%0.102CC..EExtended strand (participates in β ladder)trans-131.1130.4174-162.581.6000108.7A76 V84 L86 V108 D109 F110 T119 V128 W129 M131A76-L117 HydrophobicContact CB-CD1 4.03Å; A76-L117 HydrophobicContact CB-CD2 4.45Å; V84-L117 HydrophobicContact CG1-CD2 4.03Å; L86-L117 HydrophobicContact CD2-CD2 4.39Å; V108-L117 HydrophobicContact CG1-CD1 3.51Å; V108-L117 HydrophobicContact CG1-CD2 3.75Å; V108-L117 HydrophobicContact CG1-CG 3.63Å; D109-L117 CarbonylContact O-C 3.55Å; D109-L117 VanDerWaalsContact O-CA 3.31Å; D109-L117 WeakPolarHBondContact O-CA 3.34Å; F110-L117 HydrophobicContact CB-CD1 4.47Å; F110-L117 HydrophobicContact CD1-CD1 3.51Å; F110-L117 HydrophobicContact CD2-CD1 3.74Å; F110-L117 HydrophobicContact CE1-CD1 3.57Å; F110-L117 HydrophobicContact CE2-CD1 3.8Å; F110-L117 HydrophobicContact CG-CD1 3.61Å; F110-L117 HydrophobicContact CZ-CD1 3.71Å; L117-T119 HydrophobicContact CD2-CG2 4.11Å; L117-T119 HydrophobicContact CG-CG2 4.47Å; L117-V128 WeakPolarHBondContact O-CA 3.32Å; L117-W129 HydrophobicContact CB-CB 4.29Å; L117-W129 PolarHBondContact N-O 2.86Å; L117-W129 PolarHBondContact O-N 2.94Å; L117-M131 HydrophobicContact CB-CE 3.45Å; L117-M131 VanDerWaalsContact CB-CE 3.45Å; L117-M131 HydrophobicContact CB-CG 4.28Å; L117-M131 HydrophobicContact CB-SD 3.78Å; L117-M131 HydrophobicContact CD1-SD 4.25Å; L117-M131 HydrophobicContact CD2-CE 3.95Å; L117-M131 HydrophobicContact CD2-SD 4.18Å; L117-M131 HydrophobicContact CG-CE 4.27Å; L117-M131 HydrophobicContact CG-SD 4.32Å
118A97Very high95.3Very high0 Ų020.2 Ų20.20%010%0.101CC..EExtended strand (participates in β ladder)trans-100.7137.7170.400000109V108 D109 K127 F152 I159V108-A118 CarbonylContact C-O 3.52Å; V108-A118 WeakPolarHBondContact CA-O 3.48Å; D109-A118 PolarHBondContact N-O 2.69Å; D109-A118 PolarHBondContact O-N 3.37Å; A118-K127 CarbonylContact C-O 3.56Å; A118-K127 WeakPolarHBondContact CA-O 3.45Å; A118-F152 HydrophobicContact CB-CD2 4.09Å; A118-F152 HydrophobicContact CB-CE2 3.59Å; A118-F152 HydrophobicContact CB-CZ 4.03Å; A118-I159 HydrophobicContact CB-CD1 4.34Å
119T97.4Very high95.2Very high0 Ų021 Ų210%010%0.104CC..EExtended strand (participates in β ladder)trans-129.9128.8178.262.70000109.2V84 H101 S107 V108 L117 I126 K127 W129V84-T119 HydrophobicContact CG2-CG2 3.86Å; H101-T119 PolarHBondContact NE2-O 3.31Å; H101-T119 PolarHBondContact NE2-OG1 3Å; S107-T119 WeakPolarHBondContact O-CA 3.49Å; V108-T119 HydrophobicContact CG2-CG2 4.45Å; L117-T119 HydrophobicContact CD2-CG2 4.11Å; L117-T119 HydrophobicContact CG-CG2 4.47Å; T119-I126 CarbonylContact O-C 3.56Å; T119-I126 VanDerWaalsContact O-CA 3.28Å; T119-I126 WeakPolarHBondContact O-CA 3.23Å; T119-K127 PolarHBondContact N-O 2.81Å; T119-K127 PolarHBondContact O-N 3.45Å; T119-K127 PolarHBondContact OG1-O 3.35Å; T119-W129 PolarHBondContact OG1-NE1 3.45Å
120A97.5Very high94.9Very high0 Ų021.5 Ų21.50%011%0.108CC..EExtended strand (participates in β ladder)trans-113.6144.5-179.200000111V105 R106 S107 I126 V147 A150V105-A120 CarbonylContact C-O 3.56Å; V105-A120 VanDerWaalsContact CG1-O 3.3Å; V105-A120 WeakPolarHBondContact CG1-O 3.36Å; R106-A120 PolarHBondContact N-O 2.91Å; S107-A120 PolarHBondContact N-O 2.79Å; S107-A120 PolarHBondContact O-N 2.8Å; S107-A120 WeakPolarHBondContact OG-CB 3.32Å; A120-I126 HydrophobicContact CB-CG1 4.45Å; A120-V147 HydrophobicContact CB-CB 4.12Å; A120-V147 HydrophobicContact CB-CG1 3.81Å; A120-A150 HydrophobicContact CB-CB 3.88Å
121S97.2Very high94.7Very high0 Ų021.9 Ų21.90%011%0.11CC..EExtended strand (participates in β ladder)trans-144.3159.1-167.4178.70000115H101 A103 P104 D123 K124 S125 V147H101-S121 WeakPolarHBondContact CB-OG 3.37Å; H101-S121 VanDerWaalsContact CE1-CB 3.46Å; H101-S121 WeakPolarHBondContact CE1-CB 3.39Å; H101-S121 WeakPolarHBondContact ND1-CB 3.48Å; A103-S121 PolarHBondContact O-OG 2.93Å; P104-S121 WeakPolarHBondContact O-CA 3.25Å; P104-S121 PolarHBondContact O-OG 2.59Å; S121-D123 WeakPolarHBondContact CB-OD1 3.32Å; S121-D123 PolarHBondContact O-N 2.99Å; S121-D123 PolarHBondContact OG-N 2.98Å; S121-D123 PolarHBondContact OG-OD1 3.23Å; S121-K124 PolarHBondContact O-N 2.9Å; S121-S125 PolarHBondContact N-O 2.88Å; S121-V147 PolarHBondContact O-N 2.74Å
122E96.8Very high94.1Very high27 Ų2731.6 Ų31.613%0.12615%0.148CC..THydrogen-bonded Turntrans-66.1-7.4166.1-65.5176.9-174.700112.3A103 P104 R106 K124 W146A103-E122 HydrophobicContact CB-CB 4.17Å; P104-E122 HydrophobicContact CB-CB 4.42Å; P104-E122 HydrophobicContact CB-CG 4.24Å; P104-E122 WeakPolarHBondContact CB-OE2 3.29Å; P104-E122 VanDerWaalsContact CG-OE2 3.23Å; P104-E122 WeakPolarHBondContact CG-OE2 3.41Å; P104-E122 PolarHBondContact O-N 2.91Å; R106-E122 VanDerWaalsContact CD-OE1 3.31Å; R106-E122 WeakPolarHBondContact CD-OE1 3.23Å; R106-E122 HydrophobicContact CG-CG 3.9Å; R106-E122 IonicContact CZ-OE1 3.02Å; R106-E122 IonicContact NE-OE1 3.41Å; R106-E122 IonicContact NH1-OE1 2.84Å; R106-E122 PolarHBondContact NH1-OE1 3.3Å; E122-K124 PolarHBondContact O-N 2.84Å; E122-W146 HydrophobicContact CB-CB 4.3Å; E122-W146 HydrophobicContact CB-CD2 4.06Å; E122-W146 HydrophobicContact CB-CG 3.79Å; E122-W146 HydrophobicContact CG-CB 4.03Å; E122-W146 HydrophobicContact CG-CD2 3.78Å; E122-W146 HydrophobicContact CG-CE3 4.15Å; E122-W146 HydrophobicContact CG-CG 3.76Å; E122-W146 PolarHBondContact O-NE1 3.42Å
123D95.1Very high93.6Very high31 Ų3139.7 Ų39.717%0.16618%0.175CC..THydrogen-bonded Turntrans-7910.2169.175.712.2000114.5H101 T102 A103 S121 S125H101-D123 WeakPolarHBondContact CA-OD2 3.27Å; H101-D123 WeakPolarHBondContact CB-OD2 3.48Å; H101-D123 IonicContact CE1-OD1 3.85Å; H101-D123 IonicContact CG-OD2 3.09Å; H101-D123 VanDerWaalsContact ND1-CG 3.28Å; H101-D123 IonicContact ND1-OD1 3.25Å; H101-D123 PolarHBondContact ND1-OD1 2.87Å; H101-D123 IonicContact ND1-OD2 3.73Å; H101-D123 PolarHBondContact ND1-OD2 2.7Å; T102-D123 PolarHBondContact N-OD2 2.95Å; T102-D123 VanDerWaalsContact OG1-CB 3.28Å; T102-D123 WeakPolarHBondContact OG1-CB 3.49Å; T102-D123 PolarHBondContact OG1-OD2 3.05Å; A103-D123 HydrophobicContact CB-CB 3.83Å; S121-D123 WeakPolarHBondContact CB-OD1 3.32Å; S121-D123 PolarHBondContact O-N 2.99Å; S121-D123 PolarHBondContact OG-N 2.98Å; S121-D123 PolarHBondContact OG-OD1 3.23Å; D123-S125 PolarHBondContact O-N 2.93Å; D123-S125 WeakPolarHBondContact OD1-CB 3.29Å; D123-S125 PolarHBondContact OD1-N 3.19Å; D123-S125 VanDerWaalsContact OD1-N 3.13Å; D123-S125 PolarHBondContact OD1-OG 2.83Å
124K95.6Very high93.4Very high97 Ų9742.7 Ų42.742%0.42219%0.189SC..SBendtrans68.44.9177.3-42.3-179176.9-165.50114.5S121 E122 T144S121-K124 PolarHBondContact O-N 2.9Å; E122-K124 PolarHBondContact O-N 2.84Å; K124-T144 WeakPolarHBondContact CD-O 3.3Å; K124-T144 VanDerWaalsContact CE-O 3.25Å; K124-T144 WeakPolarHBondContact CE-O 3.5Å; K124-T144 PolarHBondContact NZ-O 2.98Å
125S94.9Very high93.2Very high1 Ų145.5 Ų45.51%0.00719%0.194CC..EExtended strand (participates in β ladder)trans-108.115817878.90000113H101 S121 D123H101-S125 PolarHBondContact CE1-OG 3.15Å; H101-S125 PolarHBondContact ND1-OG 3.4Å; S121-S125 PolarHBondContact N-O 2.88Å; D123-S125 PolarHBondContact O-N 2.93Å; D123-S125 WeakPolarHBondContact OD1-CB 3.29Å; D123-S125 PolarHBondContact OD1-N 3.19Å; D123-S125 VanDerWaalsContact OD1-N 3.13Å; D123-S125 PolarHBondContact OD1-OG 2.83Å
126I97.3Very high93.2Very high0 Ų040.5 Ų40.50%017%0.171CC..EExtended strand (participates in β ladder)trans-114.7128.1163.3-55.9132.4000106.9T119 A120 S139 L140 V147 A150 S161 W171T119-I126 CarbonylContact O-C 3.56Å; T119-I126 VanDerWaalsContact O-CA 3.28Å; T119-I126 WeakPolarHBondContact O-CA 3.23Å; A120-I126 HydrophobicContact CB-CG1 4.45Å; I126-S139 CarbonylContact O-C 3.56Å; I126-S139 WeakPolarHBondContact O-CA 3.47Å; I126-L140 HydrophobicContact CB-CB 4.3Å; I126-L140 PolarHBondContact N-O 2.98Å; I126-L140 VanDerWaalsContact N-O 3.12Å; I126-L140 PolarHBondContact O-N 3.21Å; I126-V147 HydrophobicContact CD1-CG1 4.2Å; I126-V147 HydrophobicContact CG1-CB 4.49Å; I126-V147 HydrophobicContact CG1-CG1 3.87Å; I126-V147 HydrophobicContact CG1-CG2 4.35Å; I126-A150 HydrophobicContact CG1-CB 4.18Å; I126-A150 HydrophobicContact CG2-CB 3.93Å; I126-S161 VanDerWaalsContact CD1-CB 3.42Å; I126-S161 VanDerWaalsContact CD1-OG 3.28Å; I126-S161 WeakPolarHBondContact CD1-OG 3.46Å; I126-W171 HydrophobicContact CD1-CZ2 3.99Å
127K96Very high93Very high10 Ų1039.2 Ų39.24%0.04317%0.167CC..EExtended strand (participates in β ladder)trans-113139.7-179.4-67-172.5-179.2-1580111.1A100 A118 T119 W129 F136 S139 E450A100-K127 VanDerWaalsContact O-CD 3.27Å; A100-K127 WeakPolarHBondContact O-CD 3.34Å; A118-K127 CarbonylContact C-O 3.56Å; A118-K127 WeakPolarHBondContact CA-O 3.45Å; T119-K127 PolarHBondContact N-O 2.81Å; T119-K127 PolarHBondContact O-N 3.45Å; T119-K127 PolarHBondContact OG1-O 3.35Å; K127-W129 HydrophobicContact CB-CZ2 4.04Å; K127-W129 HydrophobicContact CD-CZ2 4.11Å; K127-F136 HydrophobicContact CB-CD2 4.45Å; K127-F136 HydrophobicContact CB-CE2 4.09Å; K127-F136 HydrophobicContact CD-CD2 4.48Å; K127-F136 HydrophobicContact CD-CE2 3.94Å; K127-F136 HydrophobicContact CG-CE2 4.02Å; K127-S139 WeakPolarHBondContact CE-OG 3.38Å; K127-S139 WeakPolarHBondContact CG-OG 3.38Å; K127-E450 WeakPolarHBondContact CE-OE2 3.11Å; K127-E450 IonicContact NZ-OE1 3.79Å; K127-E450 PolarHBondContact NZ-OE1 2.78Å; K127-E450 IonicContact NZ-OE2 3.84Å; K127-E450 PolarHBondContact NZ-OE2 3.28Å
128V96.1Very high92.9Very high1 Ų140.6 Ų40.61%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-113.4132.5-179.5-175.80000109.9F116 L117 L137 Y138 F152 I159F116-V128 HydrophobicContact CB-CG1 4.38Å; L117-V128 WeakPolarHBondContact O-CA 3.32Å; V128-L137 HydrophobicContact CG1-CD1 4.45Å; V128-L137 WeakPolarHBondContact O-CB 3.42Å; V128-L137 PolarHBondContact O-N 3.4Å; V128-Y138 HydrophobicContact CB-CD2 4.13Å; V128-Y138 HydrophobicContact CB-CE1 4.26Å; V128-Y138 HydrophobicContact CB-CE2 3.74Å; V128-Y138 HydrophobicContact CG1-CE1 4.32Å; V128-Y138 HydrophobicContact CG1-CE2 4.45Å; V128-Y138 HydrophobicContact CG2-CD2 4.09Å; V128-Y138 HydrophobicContact CG2-CE2 3.43Å; V128-Y138 VanDerWaalsContact CG2-CE2 3.43Å; V128-Y138 PolarHBondContact N-O 2.87Å; V128-Y138 PolarHBondContact O-N 2.78Å; V128-F152 HydrophobicContact CG1-CZ 4.26Å; V128-I159 HydrophobicContact CG2-CD1 3.67Å
129W94.9Very high92.7Very high19 Ų1941.1 Ų41.17%0.07218%0.176CC..EExtended strand (participates in β ladder)trans-125.9142.6-171.8-50.678.2000110.2A100 F116 L117 T119 K127 M131 R135 F136A100-W129 VanDerWaalsContact CA-CZ2 3.46Å; A100-W129 HydrophobicContact CB-CH2 4.28Å; A100-W129 HydrophobicContact CB-CZ2 3.69Å; F116-W129 CarbonylContact C-O 3.53Å; F116-W129 VanDerWaalsContact CA-O 3.24Å; F116-W129 WeakPolarHBondContact CA-O 3.25Å; L117-W129 HydrophobicContact CB-CB 4.29Å; L117-W129 PolarHBondContact N-O 2.86Å; L117-W129 PolarHBondContact O-N 2.94Å; T119-W129 PolarHBondContact OG1-NE1 3.45Å; K127-W129 HydrophobicContact CB-CZ2 4.04Å; K127-W129 HydrophobicContact CD-CZ2 4.11Å; W129-M131 HydrophobicContact CB-CE 3.78Å; W129-R135 CarbonylContact C-O 3.54Å; W129-R135 WeakPolarHBondContact CA-O 3.47Å; W129-F136 HydrophobicContact CE3-CB 3.89Å; W129-F136 VanDerWaalsContact CE3-N 3.31Å; W129-F136 HydrophobicContact CH2-CB 4.07Å; W129-F136 HydrophobicContact CH2-CD2 4.21Å; W129-F136 HydrophobicContact CH2-CG 4.46Å; W129-F136 HydrophobicContact CZ2-CD2 4.16Å; W129-F136 HydrophobicContact CZ3-CB 3.63Å; W129-F136 HydrophobicContact CZ3-CD2 4.49Å; W129-F136 HydrophobicContact CZ3-CG 4.47Å
130S93.1Very high92.6Very high22 Ų2241.3 Ų41.315%0.15418%0.177CC..EExtended strand (participates in β ladder)trans-87125.9168.9179.10000110.2Q134 R135S130-Q134 CarbonylContact O-C 3.55Å; S130-Q134 WeakPolarHBondContact O-CA 3.46Å; S130-Q134 PolarHBondContact O-N 2.74Å; S130-R135 PolarHBondContact N-O 2.79Å; S130-R135 PolarHBondContact O-N 3.31Å; S130-R135 VanDerWaalsContact O-N 3.11Å
131M90.6Very high92.1Very high17 Ų1744.5 Ų44.58%0.08419%0.19CC..THydrogen-bonded Turntrans-76-29.8178.5-64.3-63.591.300113.1L86 F98 F110 Q115 L117 W129 R133 Q134L86-M131 HydrophobicContact CD1-CE 4.46Å; L86-M131 HydrophobicContact CD1-SD 3.75Å; L86-M131 HydrophobicContact CD2-SD 4.24Å; F98-M131 HydrophobicContact CE2-CE 4.22Å; F110-M131 HydrophobicContact CD1-CG 4.26Å; F110-M131 HydrophobicContact CE1-CG 3.94Å; F110-M131 HydrophobicContact CE1-SD 3.81Å; Q115-M131 PolarHBondContact O-N 3.35Å; L117-M131 HydrophobicContact CB-CE 3.45Å; L117-M131 VanDerWaalsContact CB-CE 3.45Å; L117-M131 HydrophobicContact CB-CG 4.28Å; L117-M131 HydrophobicContact CB-SD 3.78Å; L117-M131 HydrophobicContact CD1-SD 4.25Å; L117-M131 HydrophobicContact CD2-CE 3.95Å; L117-M131 HydrophobicContact CD2-SD 4.18Å; L117-M131 HydrophobicContact CG-CE 4.27Å; L117-M131 HydrophobicContact CG-SD 4.32Å; W129-M131 HydrophobicContact CB-CE 3.78Å; M131-R133 PolarHBondContact O-N 3.12Å; M131-Q134 PolarHBondContact O-N 3.26Å
132Y83.7Confident91.9Very high205 Ų20552.2 Ų52.280%0.80422%0.219SC*.THydrogen-bonded Turntrans-64.6-36.8178.6-177.5-99.2000113
133R78.4Confident91.7Very high185 Ų18551.5 Ų51.570%0.69822%0.215SC*.THydrogen-bonded Turntrans-108.22.1176.1-57.5-162-175.4-1522.2114.3M131 R135M131-R133 PolarHBondContact O-N 3.12Å; R133-R135 HydrophobicContact CB-CB 4.3Å; R133-R135 PolarHBondContact O-N 2.79Å
134Q85.8Confident91.7Very high84 Ų8454 Ų5439%0.39323%0.232SC..THydrogen-bonded Turntrans49.237.2-173.4-62.7-169.115.200113.8S96 F98 S130 M131S96-Q134 PolarHBondContact OG-OE1 3.03Å; F98-Q134 HydrophobicContact CE1-CB 3.71Å; F98-Q134 HydrophobicContact CE1-CG 4.23Å; F98-Q134 HydrophobicContact CZ-CB 3.67Å; F98-Q134 HydrophobicContact CZ-CG 3.85Å; S130-Q134 CarbonylContact O-C 3.55Å; S130-Q134 WeakPolarHBondContact O-CA 3.46Å; S130-Q134 PolarHBondContact O-N 2.74Å; M131-Q134 PolarHBondContact O-N 3.26Å
135R86.6Confident91.7Very high74 Ų7454 Ų5428%0.27923%0.233SC..EExtended strand (participates in β ladder)trans-119.3144.2-171-160.3-167.176-168.23.6112.8W129 S130 R133 D458W129-R135 CarbonylContact C-O 3.54Å; W129-R135 WeakPolarHBondContact CA-O 3.47Å; S130-R135 PolarHBondContact N-O 2.79Å; S130-R135 PolarHBondContact O-N 3.31Å; S130-R135 VanDerWaalsContact O-N 3.11Å; R133-R135 HydrophobicContact CB-CB 4.3Å; R133-R135 PolarHBondContact O-N 2.79Å; R135-D458 WeakPolarHBondContact CD-OD2 3.38Å; R135-D458 WeakPolarHBondContact CG-OD2 3.16Å
136F92.1Very high91.8Very high6 Ų659.3 Ų59.33%0.02625%0.253CS..EExtended strand (participates in β ladder)trans-51.1143.7163-178.7-124.6000112.4K127 W129 Y138 S139 E450 Q451 T454K127-F136 HydrophobicContact CB-CD2 4.45Å; K127-F136 HydrophobicContact CB-CE2 4.09Å; K127-F136 HydrophobicContact CD-CD2 4.48Å; K127-F136 HydrophobicContact CD-CE2 3.94Å; K127-F136 HydrophobicContact CG-CE2 4.02Å; W129-F136 HydrophobicContact CE3-CB 3.89Å; W129-F136 VanDerWaalsContact CE3-N 3.31Å; W129-F136 HydrophobicContact CH2-CB 4.07Å; W129-F136 HydrophobicContact CH2-CD2 4.21Å; W129-F136 HydrophobicContact CH2-CG 4.46Å; W129-F136 HydrophobicContact CZ2-CD2 4.16Å; W129-F136 HydrophobicContact CZ3-CB 3.63Å; W129-F136 HydrophobicContact CZ3-CD2 4.49Å; W129-F136 HydrophobicContact CZ3-CG 4.47Å; F136-Y138 VanDerWaalsContact CE2-O 3.3Å; F136-Y138 WeakPolarHBondContact CE2-O 3.43Å; F136-S139 WeakPolarHBondContact CE2-OG 3.36Å; F136-S139 VanDerWaalsContact CZ-OG 3.25Å; F136-S139 WeakPolarHBondContact CZ-OG 3.36Å; F136-E450 HydrophobicContact CE1-CB 3.95Å; F136-Q451 HydrophobicContact CD1-CG 4.19Å; F136-Q451 HydrophobicContact CE1-CG 3.66Å; F136-T454 HydrophobicContact CB-CG2 4.25Å; F136-T454 HydrophobicContact CD1-CG2 4.36Å
137L91.4Very high91.8Very high44 Ų4459.3 Ų59.323%0.2325%0.253CS..EExtended strand (participates in β ladder)trans-118.4-59.4174.1-61.3178000111.4F116 V128 Q451F116-L137 HydrophobicContact CD1-CD1 3.59Å; F116-L137 HydrophobicContact CE1-CD1 3.58Å; V128-L137 HydrophobicContact CG1-CD1 4.45Å; V128-L137 WeakPolarHBondContact O-CB 3.42Å; V128-L137 PolarHBondContact O-N 3.4Å; L137-Q451 PolarHBondContact O-NE2 3.47Å
138Y93.5Very high91.8Very high30 Ų3060.8 Ų60.812%0.11826%0.258CS..EExtended strand (participates in β ladder)trans-159.1161.9-17958.9-101.4000111.8V128 F136 L140 T173 K176V128-Y138 HydrophobicContact CB-CD2 4.13Å; V128-Y138 HydrophobicContact CB-CE1 4.26Å; V128-Y138 HydrophobicContact CB-CE2 3.74Å; V128-Y138 HydrophobicContact CG1-CE1 4.32Å; V128-Y138 HydrophobicContact CG1-CE2 4.45Å; V128-Y138 HydrophobicContact CG2-CD2 4.09Å; V128-Y138 HydrophobicContact CG2-CE2 3.43Å; V128-Y138 VanDerWaalsContact CG2-CE2 3.43Å; V128-Y138 PolarHBondContact N-O 2.87Å; V128-Y138 PolarHBondContact O-N 2.78Å; F136-Y138 VanDerWaalsContact CE2-O 3.3Å; F136-Y138 WeakPolarHBondContact CE2-O 3.43Å; Y138-L140 HydrophobicContact CD2-CD2 4.09Å; Y138-L140 HydrophobicContact CD2-CG 4.18Å; Y138-L140 HydrophobicContact CE2-CD1 4.29Å; Y138-L140 HydrophobicContact CE2-CD2 3.93Å; Y138-L140 HydrophobicContact CE2-CG 4.02Å; Y138-T173 WeakPolarHBondContact OH-CA 3.21Å; Y138-T173 WeakPolarHBondContact OH-CB 3.22Å; Y138-T173 PolarHBondContact OH-O 3.46Å; Y138-K176 HydrophobicContact CD1-CD 3.8Å; Y138-K176 HydrophobicContact CD1-CG 3.89Å; Y138-K176 HydrophobicContact CD2-CB 4.47Å; Y138-K176 HydrophobicContact CD2-CD 4.42Å; Y138-K176 HydrophobicContact CD2-CG 3.83Å; Y138-K176 HydrophobicContact CE1-CD 4.09Å; Y138-K176 HydrophobicContact CE1-CG 3.83Å; Y138-K176 HydrophobicContact CE2-CG 3.79Å; Y138-K176 HydrophobicContact CG-CD 3.96Å; Y138-K176 HydrophobicContact CG-CG 3.88Å
139S93.8Very high91.8Very high11 Ų1160.7 Ų60.78%0.07726%0.258CS..EExtended strand (participates in β ladder)trans-109.3151.1172-62.70000110.1I126 K127 F136 Y141 E450I126-S139 CarbonylContact O-C 3.56Å; I126-S139 WeakPolarHBondContact O-CA 3.47Å; K127-S139 WeakPolarHBondContact CE-OG 3.38Å; K127-S139 WeakPolarHBondContact CG-OG 3.38Å; F136-S139 WeakPolarHBondContact CE2-OG 3.36Å; F136-S139 VanDerWaalsContact CZ-OG 3.25Å; F136-S139 WeakPolarHBondContact CZ-OG 3.36Å; S139-Y141 VanDerWaalsContact CB-OH 3.23Å; S139-Y141 WeakPolarHBondContact CB-OH 3.24Å; S139-Y141 PolarHBondContact OG-OH 2.97Å; S139-Y141 VanDerWaalsContact OG-OH 3.05Å; S139-E450 PolarHBondContact OG-OE2 2.52Å
140L94.3Very high91.9Very high3 Ų359.8 Ų59.82%0.01626%0.255CS..EExtended strand (participates in β ladder)trans-115.1119.3171.2-59.3170.3000108I126 Y138 I159 W171 K176I126-L140 HydrophobicContact CB-CB 4.3Å; I126-L140 PolarHBondContact N-O 2.98Å; I126-L140 VanDerWaalsContact N-O 3.12Å; I126-L140 PolarHBondContact O-N 3.21Å; Y138-L140 HydrophobicContact CD2-CD2 4.09Å; Y138-L140 HydrophobicContact CD2-CG 4.18Å; Y138-L140 HydrophobicContact CE2-CD1 4.29Å; Y138-L140 HydrophobicContact CE2-CD2 3.93Å; Y138-L140 HydrophobicContact CE2-CG 4.02Å; L140-I159 HydrophobicContact CD1-CD1 4.11Å; L140-W171 HydrophobicContact CB-CD2 4.11Å; L140-W171 HydrophobicContact CB-CE3 3.86Å; L140-W171 HydrophobicContact CB-CH2 4.11Å; L140-W171 HydrophobicContact CB-CZ2 4.37Å; L140-W171 HydrophobicContact CB-CZ3 3.87Å; L140-W171 HydrophobicContact CD1-CB 3.85Å; L140-W171 HydrophobicContact CD1-CD2 3.97Å; L140-W171 HydrophobicContact CD1-CE3 4.24Å; L140-W171 HydrophobicContact CD1-CG 3.82Å; L140-W171 HydrophobicContact CD2-CD2 4.49Å; L140-W171 HydrophobicContact CD2-CE3 3.94Å; L140-W171 HydrophobicContact CD2-CZ3 4.45Å; L140-W171 HydrophobicContact CG-CD2 4.42Å; L140-W171 HydrophobicContact CG-CE3 4.23Å; L140-K176 HydrophobicContact CD2-CB 4.09Å
141Y87.8Confident92.1Very high68 Ų6859.7 Ų59.727%0.26725%0.252SS..EExtended strand (participates in β ladder)trans-126.4117.8-178.6-48.4-88.6000109.9S139 T443 E450S139-Y141 VanDerWaalsContact CB-OH 3.23Å; S139-Y141 WeakPolarHBondContact CB-OH 3.24Å; S139-Y141 PolarHBondContact OG-OH 2.97Å; S139-Y141 VanDerWaalsContact OG-OH 3.05Å; Y141-T443 HydrophobicContact CD1-CG2 4.4Å; Y141-T443 HydrophobicContact CD2-CG2 3.62Å; Y141-T443 HydrophobicContact CE2-CG2 4.21Å; Y141-T443 HydrophobicContact CG-CG2 3.72Å; Y141-E450 PolarHBondContact OH-OE2 3.48Å
142R91.3Very high92.4Very high161 Ų16159.6 Ų59.661%0.60825%0.251SS*.  trans-167.5-7.8163.2-74.9-147.7170.4-111.2-7.4112.6K169 W171R142-K169 HydrophobicContact CB-CD 4.33Å; R142-K169 WeakPolarHBondContact O-CE 3.13Å; R142-W171 HydrophobicContact CB-CH2 3.7Å; R142-W171 HydrophobicContact CB-CZ3 4.32Å; R142-W171 HydrophobicContact CG-CH2 4.23Å; R142-W171 HydrophobicContact CG-CZ3 4.38Å
143H94.4Very high92.9Very high12 Ų1250 Ų506%0.05621%0.213CC..  trans-69.9140.7170.4-79.7-63.7000110.7V147 S161 S163 D165 T167 K169H143-V147 HydrophobicContact CB-CG2 3.98Å; H143-S161 PolarHBondContact NE2-OG 3.33Å; H143-S163 VanDerWaalsContact CE1-CB 3.47Å; H143-S163 WeakPolarHBondContact CE1-CB 3.39Å; H143-S163 WeakPolarHBondContact ND1-CB 3.36Å; H143-D165 WeakPolarHBondContact CA-OD2 3.45Å; H143-D165 WeakPolarHBondContact CB-OD2 3.23Å; H143-D165 IonicContact CE1-OD1 3.09Å; H143-D165 IonicContact CG-OD2 3.82Å; H143-D165 IonicContact ND1-OD1 2.72Å; H143-D165 PolarHBondContact ND1-OD1 2.95Å; H143-D165 IonicContact ND1-OD2 3.71Å; H143-D165 PolarHBondContact ND1-OD2 2.86Å; H143-T167 PolarHBondContact CE1-OG1 3.39Å; H143-T167 PolarHBondContact ND1-OG1 2.79Å; H143-K169 WeakPolarHBondContact ND1-CE 3.19Å
144T93.7Very high93.5Very high83 Ų8341.9 Ų41.951%0.50919%0.185SC..SBendtrans-93.9-15.4-177.568.30000112.8K124 D165K124-T144 WeakPolarHBondContact CD-O 3.3Å; K124-T144 VanDerWaalsContact CE-O 3.25Å; K124-T144 WeakPolarHBondContact CE-O 3.5Å; K124-T144 PolarHBondContact NZ-O 2.98Å; T144-D165 PolarHBondContact N-OD2 2.73Å; T144-D165 WeakPolarHBondContact OG1-CB 3.33Å
145H95.7Very high93.6Very high98 Ų9839.7 Ų39.745%0.45418%0.176SC..SBendtrans-133.4-173.3179.6-69.177.3000110.7V147 S163 E164 D165H145-V147 PolarHBondContact O-N 3.17Å; H145-S163 PolarHBondContact O-OG 3.3Å; H145-E164 HydrophobicContact CB-CB 4.2Å; H145-D165 HydrophobicContact CB-CB 4.05Å
146W96.6Very high93.8Very high113 Ų11336.8 Ų36.843%0.42817%0.169SC..  trans-58134.4-175.9-62.4-15.1000112.3E122 S163 E164E122-W146 HydrophobicContact CB-CB 4.3Å; E122-W146 HydrophobicContact CB-CD2 4.06Å; E122-W146 HydrophobicContact CB-CG 3.79Å; E122-W146 HydrophobicContact CG-CB 4.03Å; E122-W146 HydrophobicContact CG-CD2 3.78Å; E122-W146 HydrophobicContact CG-CE3 4.15Å; E122-W146 HydrophobicContact CG-CG 3.76Å; E122-W146 PolarHBondContact O-NE1 3.42Å; W146-S163 VanDerWaalsContact O-CA 3.23Å; W146-S163 WeakPolarHBondContact O-CA 3.14Å; W146-S163 VanDerWaalsContact O-CB 3.28Å; W146-S163 WeakPolarHBondContact O-CB 3.41Å; W146-S163 PolarHBondContact O-OG 3.04Å; W146-E164 PolarHBondContact O-N 3.42Å; W146-E164 VanDerWaalsContact O-N 3.12Å
147V97.5Very high93.7Very high0 Ų040.6 Ų40.60%018%0.183CC..EExtended strand (participates in β ladder)trans-88.4122.7174.3-1650000108.3A120 S121 I126 H143 H145 C162A120-V147 HydrophobicContact CB-CB 4.12Å; A120-V147 HydrophobicContact CB-CG1 3.81Å; S121-V147 PolarHBondContact O-N 2.74Å; I126-V147 HydrophobicContact CD1-CG1 4.2Å; I126-V147 HydrophobicContact CG1-CB 4.49Å; I126-V147 HydrophobicContact CG1-CG1 3.87Å; I126-V147 HydrophobicContact CG1-CG2 4.35Å; H143-V147 HydrophobicContact CB-CG2 3.98Å; H145-V147 PolarHBondContact O-N 3.17Å; V147-C162 WeakPolarHBondContact CG1-O 3.18Å
148R96.1Very high93.9Very high40 Ų4040.4 Ų40.415%0.15118%0.182CC..EExtended strand (participates in β ladder)trans-95.7-37.3-168.5-70.8-66.2-59.8-82.2-20.8112.8C162 E164 N190R148-C162 PolarHBondContact N-O 3.18Å; R148-E164 WeakPolarHBondContact CD-OE1 3.39Å; R148-E164 HydrophobicContact CG-CG 3.74Å; R148-E164 IonicContact CZ-OE1 3.92Å; R148-E164 IonicContact NE-OE1 3.72Å; R148-E164 IonicContact NH1-OE1 2.74Å; R148-E164 PolarHBondContact NH1-OE1 3.42Å; R148-N190 PolarHBondContact NH2-OD1 2.77Å
149C96.9Very high94.1Very high0 Ų039 Ų390%018%0.176CC..EExtended strand (participates in β ladder)trans-147150171.3-164.80000110.4S107 S161 C162 F191 V192S107-C149 WeakPolarHBondContact OG-CA 3.22Å; C149-S161 CarbonylContact O-C 3.49Å; C149-S161 VanDerWaalsContact O-CA 3.23Å; C149-S161 WeakPolarHBondContact O-CA 3.38Å; C149-C162 VanDerWaalsContact CB-SG 3.58Å; C149-C162 PolarHBondContact O-N 2.78Å; C149-F191 HydrophobicContact CB-CD2 4.26Å; C149-V192 HydrophobicContact CB-CG1 4.26Å
150A97.5Very high94.2Very high0 Ų038.4 Ų38.40%017%0.173CC..EExtended strand (participates in β ladder)trans-140.4141162.800000110.3S107 A120 I126 I159 V160S107-A150 PolarHBondContact OG-N 2.99Å; A120-A150 HydrophobicContact CB-CB 3.88Å; I126-A150 HydrophobicContact CG1-CB 4.18Å; I126-A150 HydrophobicContact CG2-CB 3.93Å; A150-I159 HydrophobicContact CB-CG2 4.12Å; A150-V160 CarbonylContact C-O 3.53Å; A150-V160 WeakPolarHBondContact CA-O 3.24Å
151K97.1Very high94.3Very high20 Ų2038.3 Ų38.39%0.08717%0.172CC..EExtended strand (participates in β ladder)trans-137.1140.2-176.6-70.8-55.9-168.1-172.60111.4D109 I159 V160 V192 F194D109-K151 HydrophobicContact CB-CD 3.78Å; D109-K151 WeakPolarHBondContact OD1-CD 3.37Å; D109-K151 IonicContact OD1-NZ 3.76Å; D109-K151 PolarHBondContact OD1-NZ 3.4Å; K151-I159 CarbonylContact O-C 3.56Å; K151-I159 VanDerWaalsContact O-CA 3.27Å; K151-I159 WeakPolarHBondContact O-CA 3.38Å; K151-V160 HydrophobicContact CB-CG1 4.02Å; K151-V160 PolarHBondContact N-O 2.94Å; K151-V160 PolarHBondContact O-N 3.06Å; K151-V192 WeakPolarHBondContact CG-O 3.32Å; K151-F194 HydrophobicContact CB-CD2 4.43Å
152F96.7Very high94.7Very high15 Ų1535 Ų357%0.06616%0.159CC..EExtended strand (participates in β ladder)trans-74.6150.4167.3-77-77.7000111.2D109 S111 F116 A118 V128 L158 I159 T173 F194D109-F152 PolarHBondContact OD2-N 2.88Å; S111-F152 VanDerWaalsContact N-CD2 3.3Å; F116-F152 HydrophobicContact CB-CE2 4.27Å; F116-F152 HydrophobicContact CB-CZ 3.74Å; A118-F152 HydrophobicContact CB-CD2 4.09Å; A118-F152 HydrophobicContact CB-CE2 3.59Å; A118-F152 HydrophobicContact CB-CZ 4.03Å; V128-F152 HydrophobicContact CG1-CZ 4.26Å; F152-L158 CarbonylContact C-O 3.58Å; F152-L158 WeakPolarHBondContact CA-O 3.2Å; F152-I159 HydrophobicContact CD1-CD1 4.16Å; F152-I159 HydrophobicContact CD1-CG1 3.56Å; F152-I159 HydrophobicContact CE1-CD1 3.71Å; F152-I159 HydrophobicContact CE1-CG1 3.65Å; F152-I159 HydrophobicContact CG-CG1 4.23Å; F152-I159 HydrophobicContact CZ-CD1 4.15Å; F152-I159 HydrophobicContact CZ-CG1 4.39Å; F152-T173 HydrophobicContact CD1-CG2 4.23Å; F152-T173 HydrophobicContact CE1-CG2 3.97Å; F152-F194 VanDerWaalsContact O-CD2 3.23Å; F152-F194 WeakPolarHBondContact O-CD2 3.44Å
153S94.8Very high95Very high3 Ų327.4 Ų27.42%0.02113%0.13CC..  trans-68.1155.9164.655.60000111.4D155 G156 R157 L158 F194S153-D155 VanDerWaalsContact CB-OD1 3.27Å; S153-D155 WeakPolarHBondContact CB-OD1 3.35Å; S153-D155 PolarHBondContact O-N 2.9Å; S153-D155 PolarHBondContact OG-OD1 3.42Å; S153-G156 PolarHBondContact O-N 2.91Å; S153-G156 PolarHBondContact OG-N 3.06Å; S153-R157 PolarHBondContact OG-N 3.39Å; S153-L158 PolarHBondContact N-O 3.2Å; S153-L158 PolarHBondContact OG-N 3.01Å; S153-L158 PolarHBondContact OG-O 2.79Å; S153-F194 VanDerWaalsContact N-CE2 3.34Å
154P90.5Very high95Very high15 Ų1529.3 Ų29.310%0.09714%0.139CC..THydrogen-bonded Turntrans-59.8-12.2176.8-25.935000115.4A112 F194 N313A112-P154 WeakPolarHBondContact CB-O 3.48Å; P154-F194 HydrophobicContact CG-CB 4.43Å; P154-N313 VanDerWaalsContact O-CB 3.29Å; P154-N313 WeakPolarHBondContact O-CB 3.28Å
155D87.4Confident95Very high38 Ų3826.4 Ų26.420%0.20312%0.121CC..THydrogen-bonded Turntrans-106.5217570.8-9.3000114.1S153 R157 R316 L317S153-D155 VanDerWaalsContact CB-OD1 3.27Å; S153-D155 WeakPolarHBondContact CB-OD1 3.35Å; S153-D155 PolarHBondContact O-N 2.9Å; S153-D155 PolarHBondContact OG-OD1 3.42Å; D155-R157 HydrophobicContact CB-CG 4.37Å; D155-R157 PolarHBondContact O-N 3.19Å; D155-R157 VanDerWaalsContact O-N 3.13Å; D155-R157 PolarHBondContact OD1-N 3.27Å; D155-R157 VanDerWaalsContact OD2-CD 3.23Å; D155-R157 WeakPolarHBondContact OD2-CD 3.23Å; D155-R157 IonicContact OD2-NE 2.98Å; D155-R316 HydrophobicContact CB-CB 3.53Å; D155-L317 WeakPolarHBondContact O-CD2 3.14Å; D155-L317 WeakPolarHBondContact O-CG 3.47Å
156G89.9Confident94.9Very high13 Ų1325.7 Ų25.713%0.13412%0.116CC..SBendtrans690.1178.400000116.4S153 T173S153-G156 PolarHBondContact O-N 2.91Å; S153-G156 PolarHBondContact OG-N 3.06Å; G156-T173 WeakPolarHBondContact O-CG2 3.1Å; G156-T173 PolarHBondContact O-OG1 2.87Å
157R91Very high94.8Very high86 Ų8621 Ų2133%0.32510%0.1SC..SBendtrans-80.3-26.4-175.6-57.6-177.3-168.2-159-3.1113.1S153 D155 T173 R316S153-R157 PolarHBondContact OG-N 3.39Å; D155-R157 HydrophobicContact CB-CG 4.37Å; D155-R157 PolarHBondContact O-N 3.19Å; D155-R157 VanDerWaalsContact O-N 3.13Å; D155-R157 PolarHBondContact OD1-N 3.27Å; D155-R157 VanDerWaalsContact OD2-CD 3.23Å; D155-R157 WeakPolarHBondContact OD2-CD 3.23Å; D155-R157 IonicContact OD2-NE 2.98Å; R157-T173 PolarHBondContact O-N 3.39Å; R157-T173 PolarHBondContact O-OG1 2.57Å; R157-T173 VanDerWaalsContact O-OG1 3.09Å; R157-R316 PolarHBondContact NH2-O 2.93Å
158L95.1Very high94.7Very high39 Ų3921.6 Ų21.620%0.20410%0.103CC..EExtended strand (participates in β ladder)trans-122152.2-177.5-57175.3000111F152 S153 I170 W171 F194 V215F152-L158 CarbonylContact C-O 3.58Å; F152-L158 WeakPolarHBondContact CA-O 3.2Å; S153-L158 PolarHBondContact N-O 3.2Å; S153-L158 PolarHBondContact OG-N 3.01Å; S153-L158 PolarHBondContact OG-O 2.79Å; L158-I170 HydrophobicContact CB-CG2 4.21Å; L158-I170 HydrophobicContact CD1-CG2 3.99Å; L158-I170 HydrophobicContact CD2-CG2 3.99Å; L158-I170 HydrophobicContact CG-CG2 4.29Å; L158-W171 CarbonylContact C-O 3.6Å; L158-W171 WeakPolarHBondContact CA-O 3.27Å; L158-F194 HydrophobicContact CB-CZ 4.14Å; L158-V215 HydrophobicContact CD1-CG1 3.8Å
159I97.1Very high94.7Very high0 Ų020.6 Ų20.60%010%0.1CC..EExtended strand (participates in β ladder)trans-116.6134.3159.6-68165.3000106.9A118 V128 L140 A150 K151 F152 I170 W171 T173A118-I159 HydrophobicContact CB-CD1 4.34Å; V128-I159 HydrophobicContact CG2-CD1 3.67Å; L140-I159 HydrophobicContact CD1-CD1 4.11Å; A150-I159 HydrophobicContact CB-CG2 4.12Å; K151-I159 CarbonylContact O-C 3.56Å; K151-I159 VanDerWaalsContact O-CA 3.27Å; K151-I159 WeakPolarHBondContact O-CA 3.38Å; F152-I159 HydrophobicContact CD1-CD1 4.16Å; F152-I159 HydrophobicContact CD1-CG1 3.56Å; F152-I159 HydrophobicContact CE1-CD1 3.71Å; F152-I159 HydrophobicContact CE1-CG1 3.65Å; F152-I159 HydrophobicContact CG-CG1 4.23Å; F152-I159 HydrophobicContact CZ-CD1 4.15Å; F152-I159 HydrophobicContact CZ-CG1 4.39Å; I159-I170 CarbonylContact O-C 3.5Å; I159-I170 WeakPolarHBondContact O-CA 3.21Å; I159-W171 HydrophobicContact CB-CB 4.39Å; I159-W171 PolarHBondContact N-O 3.36Å; I159-W171 PolarHBondContact O-N 3.2Å; I159-T173 HydrophobicContact CD1-CG2 3.92Å; I159-T173 HydrophobicContact CG1-CG2 3.79Å
160V97.1Very high94.7Very high0 Ų020.7 Ų20.70%010%0.1CC..EExtended strand (participates in β ladder)trans-102.4141.9163.969.20000108.8A150 K151 I168 K169 I170 V192 F194 I201A150-V160 CarbonylContact C-O 3.53Å; A150-V160 WeakPolarHBondContact CA-O 3.24Å; K151-V160 HydrophobicContact CB-CG1 4.02Å; K151-V160 PolarHBondContact N-O 2.94Å; K151-V160 PolarHBondContact O-N 3.06Å; V160-I168 HydrophobicContact CG2-CG2 3.53Å; V160-K169 CarbonylContact C-O 3.59Å; V160-K169 WeakPolarHBondContact CA-O 3.2Å; V160-I170 HydrophobicContact CB-CG1 4.42Å; V160-I170 HydrophobicContact CG2-CG1 4.08Å; V160-V192 HydrophobicContact CB-CG2 4.43Å; V160-V192 HydrophobicContact CG1-CB 4.49Å; V160-V192 HydrophobicContact CG1-CG1 3.93Å; V160-V192 HydrophobicContact CG1-CG2 3.8Å; V160-V192 HydrophobicContact CG2-CG1 4.36Å; V160-V192 HydrophobicContact CG2-CG2 3.7Å; V160-F194 HydrophobicContact CB-CD2 4.44Å; V160-F194 HydrophobicContact CB-CE2 3.65Å; V160-F194 HydrophobicContact CB-CZ 3.83Å; V160-F194 HydrophobicContact CG1-CD2 3.67Å; V160-F194 HydrophobicContact CG1-CE2 3.33Å; V160-F194 HydrophobicContact CG1-CZ 3.98Å; V160-I201 HydrophobicContact CB-CG2 4.33Å; V160-I201 HydrophobicContact CG1-CG2 4.27Å; V160-I201 HydrophobicContact CG2-CD1 3.84Å; V160-I201 HydrophobicContact CG2-CG2 4.23Å
161S97.1Very high94.6Very high0 Ų020.9 Ų20.90%010%0.101CC..EExtended strand (participates in β ladder)trans-139.2146.8175.461.90000112.1I126 H143 C149 I168 K169 W171I126-S161 VanDerWaalsContact CD1-CB 3.42Å; I126-S161 VanDerWaalsContact CD1-OG 3.28Å; I126-S161 WeakPolarHBondContact CD1-OG 3.46Å; H143-S161 PolarHBondContact NE2-OG 3.33Å; C149-S161 CarbonylContact O-C 3.49Å; C149-S161 VanDerWaalsContact O-CA 3.23Å; C149-S161 WeakPolarHBondContact O-CA 3.38Å; S161-I168 CarbonylContact O-C 3.52Å; S161-I168 VanDerWaalsContact O-CA 3.23Å; S161-I168 WeakPolarHBondContact O-CA 3.33Å; S161-K169 PolarHBondContact N-O 3.18Å; S161-K169 PolarHBondContact O-N 3.16Å; S161-W171 PolarHBondContact OG-NE1 3.02Å
162C96.3Very high94.5Very high0 Ų021.4 Ų21.40%011%0.105CC..EExtended strand (participates in β ladder)trans-119.6146.517467.10000111.7V147 R148 C149 I168 A189 V192V147-C162 WeakPolarHBondContact CG1-O 3.18Å; R148-C162 PolarHBondContact N-O 3.18Å; C149-C162 VanDerWaalsContact CB-SG 3.58Å; C149-C162 PolarHBondContact O-N 2.78Å; C162-I168 HydrophobicContact CB-CG1 4.2Å; C162-A189 HydrophobicContact CB-CB 3.68Å; C162-A189 PolarHBondContact SG-O 2.91Å; C162-V192 HydrophobicContact CB-CB 4.28Å; C162-V192 HydrophobicContact CB-CG1 4.08Å
163S95.8Very high94.2Very high0 Ų022 Ų220%011%0.11CC..EExtended strand (participates in β ladder)trans-139.6160.1-177.1176.10000112H143 H145 W146 D165 K166 T167H143-S163 VanDerWaalsContact CE1-CB 3.47Å; H143-S163 WeakPolarHBondContact CE1-CB 3.39Å; H143-S163 WeakPolarHBondContact ND1-CB 3.36Å; H145-S163 PolarHBondContact O-OG 3.3Å; W146-S163 VanDerWaalsContact O-CA 3.23Å; W146-S163 WeakPolarHBondContact O-CA 3.14Å; W146-S163 VanDerWaalsContact O-CB 3.28Å; W146-S163 WeakPolarHBondContact O-CB 3.41Å; W146-S163 PolarHBondContact O-OG 3.04Å; S163-D165 WeakPolarHBondContact CB-OD1 3.16Å; S163-D165 PolarHBondContact O-N 2.96Å; S163-D165 PolarHBondContact OG-N 3.39Å; S163-K166 PolarHBondContact O-N 3.12Å; S163-T167 PolarHBondContact N-O 3.31Å
164E94.8Very high94Very high52 Ų5226.5 Ų26.524%0.24314%0.137CC..THydrogen-bonded Turntrans-66.6-6.2170.9-62-178.7171.700113H145 W146 R148 K166 F188H145-E164 HydrophobicContact CB-CB 4.2Å; W146-E164 PolarHBondContact O-N 3.42Å; W146-E164 VanDerWaalsContact O-N 3.12Å; R148-E164 WeakPolarHBondContact CD-OE1 3.39Å; R148-E164 HydrophobicContact CG-CG 3.74Å; R148-E164 IonicContact CZ-OE1 3.92Å; R148-E164 IonicContact NE-OE1 3.72Å; R148-E164 IonicContact NH1-OE1 2.74Å; R148-E164 PolarHBondContact NH1-OE1 3.42Å; E164-K166 PolarHBondContact O-N 3.26Å; E164-K166 VanDerWaalsContact O-N 3.12Å; E164-F188 HydrophobicContact CB-CG 4.5Å; E164-F188 HydrophobicContact CG-CD2 4.07Å; E164-F188 HydrophobicContact CG-CE2 4.19Å; E164-F188 HydrophobicContact CG-CG 4.35Å
165D93.8Very high94Very high23 Ų2330.7 Ų30.712%0.12316%0.159CC..THydrogen-bonded Turntrans-72.910.7167.771.213.1000114.3H143 T144 H145 S163 T167H143-D165 WeakPolarHBondContact CA-OD2 3.45Å; H143-D165 WeakPolarHBondContact CB-OD2 3.23Å; H143-D165 IonicContact CE1-OD1 3.09Å; H143-D165 IonicContact CG-OD2 3.82Å; H143-D165 IonicContact ND1-OD1 2.72Å; H143-D165 PolarHBondContact ND1-OD1 2.95Å; H143-D165 IonicContact ND1-OD2 3.71Å; H143-D165 PolarHBondContact ND1-OD2 2.86Å; T144-D165 PolarHBondContact N-OD2 2.73Å; T144-D165 WeakPolarHBondContact OG1-CB 3.33Å; H145-D165 HydrophobicContact CB-CB 4.05Å; S163-D165 WeakPolarHBondContact CB-OD1 3.16Å; S163-D165 PolarHBondContact O-N 2.96Å; S163-D165 PolarHBondContact OG-N 3.39Å; D165-T167 PolarHBondContact O-N 3Å; D165-T167 WeakPolarHBondContact OD1-CA 3.39Å; D165-T167 WeakPolarHBondContact OD1-CB 3.47Å; D165-T167 PolarHBondContact OD1-N 3.32Å; D165-T167 PolarHBondContact OD1-OG1 3.37Å; D165-T167 PolarHBondContact OD2-OG1 2.83Å
166K94.1Very high94.2Very high82 Ų8234.2 Ų34.236%0.35717%0.172SC..SBendtrans60.915.7-175.7-50.9-169.5170.6-171.20115.1S163 E164 D184 S185 V186 G187 F188S163-K166 PolarHBondContact O-N 3.12Å; E164-K166 PolarHBondContact O-N 3.26Å; E164-K166 VanDerWaalsContact O-N 3.12Å; K166-D184 VanDerWaalsContact CB-O 3.3Å; K166-D184 WeakPolarHBondContact CB-O 3.36Å; K166-D184 PolarHBondContact O-N 3.3Å; K166-S185 PolarHBondContact NZ-O 2.97Å; K166-V186 PolarHBondContact NZ-O 2.97Å; K166-G187 WeakPolarHBondContact CB-O 3.46Å; K166-G187 WeakPolarHBondContact CD-O 3.19Å; K166-G187 VanDerWaalsContact CG-O 3.24Å; K166-G187 WeakPolarHBondContact CG-O 3.3Å; K166-F188 HydrophobicContact CG-CB 4.28Å
167T94.7Very high94.2Very high16 Ų1640 Ų4010%0.09820%0.196CC..EExtended strand (participates in β ladder)trans-111148176.4740000113.9H143 S163 D165 K169 N181 F182H143-T167 PolarHBondContact CE1-OG1 3.39Å; H143-T167 PolarHBondContact ND1-OG1 2.79Å; S163-T167 PolarHBondContact N-O 3.31Å; D165-T167 PolarHBondContact O-N 3Å; D165-T167 WeakPolarHBondContact OD1-CA 3.39Å; D165-T167 WeakPolarHBondContact OD1-CB 3.47Å; D165-T167 PolarHBondContact OD1-N 3.32Å; D165-T167 PolarHBondContact OD1-OG1 3.37Å; D165-T167 PolarHBondContact OD2-OG1 2.83Å; T167-K169 WeakPolarHBondContact OG1-CE 3.28Å; T167-K169 PolarHBondContact OG1-NZ 3.27Å; T167-N181 WeakPolarHBondContact CB-OD1 3.49Å; T167-F182 CarbonylContact C-O 3.51Å; T167-F182 VanDerWaalsContact CA-O 3.25Å; T167-F182 WeakPolarHBondContact CA-O 3.45Å; T167-F182 WeakPolarHBondContact CB-O 3.47Å
168I95.9Very high94.3Very high12 Ų1237.6 Ų37.66%0.06219%0.192CC..EExtended strand (participates in β ladder)trans-113.9116167.7-56158.2000106.4V160 S161 C162 F182 A189 V192 I201 S203V160-I168 HydrophobicContact CG2-CG2 3.53Å; S161-I168 CarbonylContact O-C 3.52Å; S161-I168 VanDerWaalsContact O-CA 3.23Å; S161-I168 WeakPolarHBondContact O-CA 3.33Å; C162-I168 HydrophobicContact CB-CG1 4.2Å; I168-F182 HydrophobicContact CB-CB 4.31Å; I168-F182 HydrophobicContact CB-CD2 4.38Å; I168-F182 HydrophobicContact CG2-CD2 4.41Å; I168-F182 PolarHBondContact N-O 3Å; I168-F182 PolarHBondContact O-N 2.83Å; I168-A189 HydrophobicContact CD1-CB 4.23Å; I168-A189 HydrophobicContact CG1-CB 4.13Å; I168-V192 HydrophobicContact CG2-CG2 4.2Å; I168-I201 HydrophobicContact CG2-CD1 3.95Å; I168-S203 VanDerWaalsContact CD1-CB 3.41Å; I168-S203 WeakPolarHBondContact CD1-OG 3.37Å
169K95.8Very high94.1Very high18 Ų1839.6 Ų39.68%0.07821%0.206CC..EExtended strand (participates in β ladder)trans-107.8138.7-176.5-62.9-171.4-163.8-41.10110.4R142 H143 V160 S161 T167 W171 N181R142-K169 HydrophobicContact CB-CD 4.33Å; R142-K169 WeakPolarHBondContact O-CE 3.13Å; H143-K169 WeakPolarHBondContact ND1-CE 3.19Å; V160-K169 CarbonylContact C-O 3.59Å; V160-K169 WeakPolarHBondContact CA-O 3.2Å; S161-K169 PolarHBondContact N-O 3.18Å; S161-K169 PolarHBondContact O-N 3.16Å; T167-K169 WeakPolarHBondContact OG1-CE 3.28Å; T167-K169 PolarHBondContact OG1-NZ 3.27Å; K169-W171 HydrophobicContact CB-CZ2 4.11Å; K169-W171 HydrophobicContact CD-CH2 4.37Å; K169-W171 HydrophobicContact CD-CZ2 3.86Å; K169-N181 WeakPolarHBondContact CG-OD1 3.36Å; K169-N181 PolarHBondContact NZ-OD1 2.87Å
170I96.1Very high93.8Very high2 Ų241.5 Ų41.51%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-106.8129.5170.1-63.1-174.3000108.2L158 I159 V160 C178 V179 N180 F182 I201 V215L158-I170 HydrophobicContact CB-CG2 4.21Å; L158-I170 HydrophobicContact CD1-CG2 3.99Å; L158-I170 HydrophobicContact CD2-CG2 3.99Å; L158-I170 HydrophobicContact CG-CG2 4.29Å; I159-I170 CarbonylContact O-C 3.5Å; I159-I170 WeakPolarHBondContact O-CA 3.21Å; V160-I170 HydrophobicContact CB-CG1 4.42Å; V160-I170 HydrophobicContact CG2-CG1 4.08Å; I170-C178 CarbonylContact O-C 3.45Å; I170-C178 WeakPolarHBondContact O-CA 3.41Å; I170-V179 PolarHBondContact O-N 3.27Å; I170-N180 HydrophobicContact CB-CB 4.19Å; I170-N180 PolarHBondContact N-O 2.97Å; I170-N180 PolarHBondContact O-N 3.1Å; I170-F182 HydrophobicContact CD1-CE2 3.85Å; I170-F182 HydrophobicContact CG1-CE2 4.28Å; I170-I201 HydrophobicContact CD1-CD1 4.34Å; I170-V215 HydrophobicContact CD1-CB 4.37Å; I170-V215 HydrophobicContact CD1-CG1 3.88Å; I170-V215 HydrophobicContact CD1-CG2 4.06Å
171W95.8Very high93.6Very high5 Ų544.8 Ų44.82%0.01923%0.233CC..EExtended strand (participates in β ladder)trans-119.1139.8-175.9-4984000110.4I126 L140 R142 L158 I159 S161 K169 Q177 C178I126-W171 HydrophobicContact CD1-CZ2 3.99Å; L140-W171 HydrophobicContact CB-CD2 4.11Å; L140-W171 HydrophobicContact CB-CE3 3.86Å; L140-W171 HydrophobicContact CB-CH2 4.11Å; L140-W171 HydrophobicContact CB-CZ2 4.37Å; L140-W171 HydrophobicContact CB-CZ3 3.87Å; L140-W171 HydrophobicContact CD1-CB 3.85Å; L140-W171 HydrophobicContact CD1-CD2 3.97Å; L140-W171 HydrophobicContact CD1-CE3 4.24Å; L140-W171 HydrophobicContact CD1-CG 3.82Å; L140-W171 HydrophobicContact CD2-CD2 4.49Å; L140-W171 HydrophobicContact CD2-CE3 3.94Å; L140-W171 HydrophobicContact CD2-CZ3 4.45Å; L140-W171 HydrophobicContact CG-CD2 4.42Å; L140-W171 HydrophobicContact CG-CE3 4.23Å; R142-W171 HydrophobicContact CB-CH2 3.7Å; R142-W171 HydrophobicContact CB-CZ3 4.32Å; R142-W171 HydrophobicContact CG-CH2 4.23Å; R142-W171 HydrophobicContact CG-CZ3 4.38Å; L158-W171 CarbonylContact C-O 3.6Å; L158-W171 WeakPolarHBondContact CA-O 3.27Å; I159-W171 HydrophobicContact CB-CB 4.39Å; I159-W171 PolarHBondContact N-O 3.36Å; I159-W171 PolarHBondContact O-N 3.2Å; S161-W171 PolarHBondContact OG-NE1 3.02Å; K169-W171 HydrophobicContact CB-CZ2 4.11Å; K169-W171 HydrophobicContact CD-CH2 4.37Å; K169-W171 HydrophobicContact CD-CZ2 3.86Å; W171-Q177 VanDerWaalsContact CA-O 3.29Å; W171-Q177 WeakPolarHBondContact CA-O 3.36Å; W171-C178 HydrophobicContact CD2-CB 4.32Å; W171-C178 HydrophobicContact CE3-CB 3.8Å; W171-C178 HydrophobicContact CH2-CB 4.43Å; W171-C178 HydrophobicContact CZ3-CB 3.87Å
172D94.4Very high93.3Very high30 Ų3045.1 Ų45.116%0.1624%0.235CC..EExtended strand (participates in β ladder)trans-85.2125.2171.1179.2-22.3000109.8T174 N175 K176 Q177 V179D172-T174 VanDerWaalsContact C-N 3.28Å; D172-T174 PolarHBondContact O-N 3.3Å; D172-T174 WeakPolarHBondContact OD1-CA 3.44Å; D172-T174 WeakPolarHBondContact OD1-CB 3.29Å; D172-T174 PolarHBondContact OD1-N 2.91Å; D172-T174 PolarHBondContact OD1-OG1 2.7Å; D172-T174 PolarHBondContact OD2-OG1 3.2Å; D172-N175 HydrophobicContact CB-CB 4.18Å; D172-N175 PolarHBondContact OD1-N 3.2Å; D172-N175 VanDerWaalsContact OD1-N 3.13Å; D172-N175 PolarHBondContact OD2-ND2 2.9Å; D172-K176 WeakPolarHBondContact O-CA 3.38Å; D172-K176 PolarHBondContact O-N 3.12Å; D172-Q177 PolarHBondContact N-O 3.5Å; D172-V179 HydrophobicContact CB-CG2 3.71Å
173T91.3Very high92.9Very high27 Ų2749.1 Ų49.117%0.16626%0.263CS..THydrogen-bonded Turntrans-74-18-17861.80000113.6Y138 F152 G156 R157 I159Y138-T173 WeakPolarHBondContact OH-CA 3.21Å; Y138-T173 WeakPolarHBondContact OH-CB 3.22Å; Y138-T173 PolarHBondContact OH-O 3.46Å; F152-T173 HydrophobicContact CD1-CG2 4.23Å; F152-T173 HydrophobicContact CE1-CG2 3.97Å; G156-T173 WeakPolarHBondContact O-CG2 3.1Å; G156-T173 PolarHBondContact O-OG1 2.87Å; R157-T173 PolarHBondContact O-N 3.39Å; R157-T173 PolarHBondContact O-OG1 2.57Å; R157-T173 VanDerWaalsContact O-OG1 3.09Å; I159-T173 HydrophobicContact CD1-CG2 3.92Å; I159-T173 HydrophobicContact CG1-CG2 3.79Å
174T90.8Very high91.9Very high98 Ų9851.2 Ų51.260%0.60127%0.274SS*.THydrogen-bonded Turntrans-88.3-50.8177.471.50000111.3D172 K176D172-T174 VanDerWaalsContact C-N 3.28Å; D172-T174 PolarHBondContact O-N 3.3Å; D172-T174 WeakPolarHBondContact OD1-CA 3.44Å; D172-T174 WeakPolarHBondContact OD1-CB 3.29Å; D172-T174 PolarHBondContact OD1-N 2.91Å; D172-T174 PolarHBondContact OD1-OG1 2.7Å; D172-T174 PolarHBondContact OD2-OG1 3.2Å; T174-K176 WeakPolarHBondContact O-CE 3.47Å
175N89.3Confident90.5Very high104 Ų10453.6 Ų53.656%0.55630%0.296SS*.THydrogen-bonded Turntrans-80.3-20.9-180-74-58.8000113D172 Q177D172-N175 HydrophobicContact CB-CB 4.18Å; D172-N175 PolarHBondContact OD1-N 3.2Å; D172-N175 VanDerWaalsContact OD1-N 3.13Å; D172-N175 PolarHBondContact OD2-ND2 2.9Å; N175-Q177 VanDerWaalsContact C-N 3.29Å; N175-Q177 PolarHBondContact O-N 3.43Å
176K91.9Very high89.9Confident111 Ų11157.1 Ų57.148%0.48332%0.319SS..  trans59.835.3-177.4-59.4144.5-74.1177.40113.2Y138 L140 D172 T174Y138-K176 HydrophobicContact CD1-CD 3.8Å; Y138-K176 HydrophobicContact CD1-CG 3.89Å; Y138-K176 HydrophobicContact CD2-CB 4.47Å; Y138-K176 HydrophobicContact CD2-CD 4.42Å; Y138-K176 HydrophobicContact CD2-CG 3.83Å; Y138-K176 HydrophobicContact CE1-CD 4.09Å; Y138-K176 HydrophobicContact CE1-CG 3.83Å; Y138-K176 HydrophobicContact CE2-CG 3.79Å; Y138-K176 HydrophobicContact CG-CD 3.96Å; Y138-K176 HydrophobicContact CG-CG 3.88Å; L140-K176 HydrophobicContact CD2-CB 4.09Å; D172-K176 WeakPolarHBondContact O-CA 3.38Å; D172-K176 PolarHBondContact O-N 3.12Å; T174-K176 WeakPolarHBondContact O-CE 3.47Å
177Q90.1Very high89.5Confident134 Ų13453.4 Ų53.463%0.62630%0.304SS*.SBendtrans-124.8155.9179.8-64.3-17115.300111.2W171 D172 N175 V179W171-Q177 VanDerWaalsContact CA-O 3.29Å; W171-Q177 WeakPolarHBondContact CA-O 3.36Å; D172-Q177 PolarHBondContact N-O 3.5Å; N175-Q177 VanDerWaalsContact C-N 3.29Å; N175-Q177 PolarHBondContact O-N 3.43Å; Q177-V179 PolarHBondContact O-N 2.87Å
178C92.4Very high89.4Confident37 Ų3755.6 Ų55.625%0.2531%0.312CS..EExtended strand (participates in β ladder)trans-74.8117.9171.2-1770000108.5I170 W171 N180I170-C178 CarbonylContact O-C 3.45Å; I170-C178 WeakPolarHBondContact O-CA 3.41Å; W171-C178 HydrophobicContact CD2-CB 4.32Å; W171-C178 HydrophobicContact CE3-CB 3.8Å; W171-C178 HydrophobicContact CH2-CB 4.43Å; W171-C178 HydrophobicContact CZ3-CB 3.87Å; C178-N180 PolarHBondContact SG-O 3.39Å
179V91.8Very high89.3Confident80 Ų8055.4 Ų55.449%0.48531%0.312SS..EExtended strand (participates in β ladder)trans-87.2-57.1178.9-1790000110.1I170 D172 Q177I170-V179 PolarHBondContact O-N 3.27Å; D172-V179 HydrophobicContact CB-CG2 3.71Å; Q177-V179 PolarHBondContact O-N 2.87Å
180N90.9Very high89.2Confident41 Ų4155.4 Ų55.422%0.21931%0.313CS..EExtended strand (participates in β ladder)trans-122.5151.6-176.9-77-14.6000110.9I170 C178 V215 N218I170-N180 HydrophobicContact CB-CB 4.19Å; I170-N180 PolarHBondContact N-O 2.97Å; I170-N180 PolarHBondContact O-N 3.1Å; C178-N180 PolarHBondContact SG-O 3.39Å; N180-V215 PolarHBondContact ND2-O 3.25Å; N180-N218 VanDerWaalsContact CB-OD1 3.3Å; N180-N218 WeakPolarHBondContact CB-OD1 3.19Å; N180-N218 PolarHBondContact ND2-OD1 3.49Å
181N92.6Very high89.3Confident68 Ų6857.3 Ų57.336%0.36432%0.321SS..EExtended strand (participates in β ladder)trans-141.8110.2-178.2174.378.6000109.6T167 K169T167-N181 WeakPolarHBondContact CB-OD1 3.49Å; K169-N181 WeakPolarHBondContact CG-OD1 3.36Å; K169-N181 PolarHBondContact NZ-OD1 2.87Å
182F91.3Very high89.3Confident8 Ų857.1 Ų57.14%0.03532%0.32CS..EExtended strand (participates in β ladder)trans-91.5132.5168.7-50.5-80.1000108.5T167 I168 I170 I201 W213 N218T167-F182 CarbonylContact C-O 3.51Å; T167-F182 VanDerWaalsContact CA-O 3.25Å; T167-F182 WeakPolarHBondContact CA-O 3.45Å; T167-F182 WeakPolarHBondContact CB-O 3.47Å; I168-F182 HydrophobicContact CB-CB 4.31Å; I168-F182 HydrophobicContact CB-CD2 4.38Å; I168-F182 HydrophobicContact CG2-CD2 4.41Å; I168-F182 PolarHBondContact N-O 3Å; I168-F182 PolarHBondContact O-N 2.83Å; I170-F182 HydrophobicContact CD1-CE2 3.85Å; I170-F182 HydrophobicContact CG1-CE2 4.28Å; F182-I201 HydrophobicContact CD2-CD1 4.01Å; F182-I201 HydrophobicContact CE2-CD1 3.68Å; F182-W213 HydrophobicContact CB-CD2 4.43Å; F182-W213 HydrophobicContact CB-CE3 4.36Å; F182-W213 HydrophobicContact CB-CH2 4.28Å; F182-W213 HydrophobicContact CB-CZ2 4.33Å; F182-W213 HydrophobicContact CB-CZ3 4.29Å; F182-W213 AromaticContact CD1-CD2 3.72Å; F182-W213 HydrophobicContact CD1-CD2 3.72Å; F182-W213 AromaticContact CD1-CE3 3.19Å; F182-W213 HydrophobicContact CD1-CE3 3.19Å; F182-W213 HydrophobicContact CD1-CG 4.32Å; F182-W213 HydrophobicContact CD1-CH2 4.38Å; F182-W213 AromaticContact CD1-CZ3 3.58Å; F182-W213 HydrophobicContact CD1-CZ3 3.58Å; F182-W213 HydrophobicContact CE1-CB 4.07Å; F182-W213 HydrophobicContact CE1-CD2 4.07Å; F182-W213 AromaticContact CE1-CE3 3.56Å; F182-W213 HydrophobicContact CE1-CE3 3.56Å; F182-W213 HydrophobicContact CE1-CG 4.31Å; F182-W213 HydrophobicContact CE1-CZ3 4.31Å; F182-W213 HydrophobicContact CE2-CB 4.41Å; F182-W213 HydrophobicContact CG-CD2 4.03Å; F182-W213 AromaticContact CG-CE3 3.92Å; F182-W213 HydrophobicContact CG-CE3 3.92Å; F182-W213 HydrophobicContact CG-CG 4.49Å; F182-W213 HydrophobicContact CG-CZ3 4.27Å; F182-W213 HydrophobicContact CZ-CB 3.99Å; F182-N218 HydrophobicContact CE1-CB 4.45Å; F182-N218 WeakPolarHBondContact CE1-OD1 3.14Å; F182-N218 VanDerWaalsContact CZ-OD1 3.25Å; F182-N218 WeakPolarHBondContact CZ-OD1 3.19Å
183S86.6Confident89.4Confident84 Ų8457.2 Ų57.259%0.58732%0.321SS*.EExtended strand (participates in β ladder)trans-122.4128.5176.454.50000109.9
184D76.5Confident89.6Confident43 Ų4356.3 Ų56.323%0.2332%0.315CS..  trans-99.5145.6171.5-160.2-24.3000109.9K166 V186 K211K166-D184 VanDerWaalsContact CB-O 3.3Å; K166-D184 WeakPolarHBondContact CB-O 3.36Å; K166-D184 PolarHBondContact O-N 3.3Å; D184-V186 PolarHBondContact OD1-N 3.03Å; D184-K211 IonicContact OD1-NZ 2.67Å; D184-K211 IonicContact OD2-NZ 3.4Å; D184-K211 PolarHBondContact OD2-NZ 2.98Å
185S63.8Low89.8Confident102 Ų10252.4 Ų52.471%0.71329%0.29SS*.SBendtrans-90.6-30.217560.30000112K166K166-S185 PolarHBondContact NZ-O 2.97Å
186V81.4Confident89.8Confident98 Ų9849 Ų4959%0.59427%0.274SS*.SBendtrans-83.3-67.6-168.6-172.80000110.6K166 D184 D207K166-V186 PolarHBondContact NZ-O 2.97Å; D184-V186 PolarHBondContact OD1-N 3.03Å; V186-D207 HydrophobicContact CB-CB 4.42Å; V186-D207 HydrophobicContact CG1-CB 3.85Å
187G85.8Confident89.6Confident4 Ų445.5 Ų45.54%0.04126%0.263CS..  trans-111.6-171.6-177.700000114.8K166 S206K166-G187 WeakPolarHBondContact CB-O 3.46Å; K166-G187 WeakPolarHBondContact CD-O 3.19Å; K166-G187 VanDerWaalsContact CG-O 3.24Å; K166-G187 WeakPolarHBondContact CG-O 3.3Å; G187-S206 WeakPolarHBondContact CA-OG 3.49Å
188F92.1Very high89.6Confident62 Ų6240.3 Ų40.327%0.27225%0.246SC..  trans-118.9157.716358.5-99.8000109.8E164 K166 S206E164-F188 HydrophobicContact CB-CG 4.5Å; E164-F188 HydrophobicContact CG-CD2 4.07Å; E164-F188 HydrophobicContact CG-CE2 4.19Å; E164-F188 HydrophobicContact CG-CG 4.35Å; K166-F188 HydrophobicContact CG-CB 4.28Å; F188-S206 PolarHBondContact N-OG 2.92Å; F188-S206 WeakPolarHBondContact O-CB 3.47Å; F188-S206 PolarHBondContact O-N 3.47Å; F188-S206 PolarHBondContact O-OG 3.09Å
189A94.1Very high89.5Confident7 Ų740.7 Ų40.76%0.05825%0.247CC..EExtended strand (participates in β ladder)trans-89.2121179.300000111.7C162 I168 A204C162-A189 HydrophobicContact CB-CB 3.68Å; C162-A189 PolarHBondContact SG-O 2.91Å; I168-A189 HydrophobicContact CD1-CB 4.23Å; I168-A189 HydrophobicContact CG1-CB 4.13Å; A189-A204 CarbonylContact C-O 3.58Å; A189-A204 VanDerWaalsContact CA-O 3.24Å; A189-A204 WeakPolarHBondContact CA-O 3.44Å
190N95Very high89.6Confident18 Ų1837.5 Ų37.510%0.09623%0.228CC..EExtended strand (participates in β ladder)trans-70.1-36175.6-78.3-49.5000112.4R148 A204 V231R148-N190 PolarHBondContact NH2-OD1 2.77Å; N190-A204 PolarHBondContact N-O 3.24Å; N190-V231 WeakPolarHBondContact CB-O 3.44Å; N190-V231 PolarHBondContact ND2-O 2.82Å
191F96.6Very high89.8Confident43 Ų4335.6 Ų35.619%0.18922%0.218CC..EExtended strand (participates in β ladder)trans-148.6155.2-174.7-161.3-94.3000110.1C149 D193 S203 A204 N232 I234C149-F191 HydrophobicContact CB-CD2 4.26Å; F191-D193 HydrophobicContact CE1-CB 4.27Å; F191-S203 WeakPolarHBondContact O-CA 3.27Å; F191-A204 HydrophobicContact CB-CB 3.93Å; F191-A204 PolarHBondContact O-N 2.9Å; F191-N232 WeakPolarHBondContact CB-O 3.4Å; F191-I234 HydrophobicContact CD1-CB 4.46Å; F191-I234 VanDerWaalsContact CE1-O 3.26Å; F191-I234 WeakPolarHBondContact CE1-O 3.49Å
192V96.8Very high90Very high0 Ų032.3 Ų32.30%020%0.201CC..EExtended strand (participates in β ladder)trans-144.9144175.462.30000109.3C149 K151 V160 C162 I168 I201 A202C149-V192 HydrophobicContact CB-CG1 4.26Å; K151-V192 WeakPolarHBondContact CG-O 3.32Å; V160-V192 HydrophobicContact CB-CG2 4.43Å; V160-V192 HydrophobicContact CG1-CB 4.49Å; V160-V192 HydrophobicContact CG1-CG1 3.93Å; V160-V192 HydrophobicContact CG1-CG2 3.8Å; V160-V192 HydrophobicContact CG2-CG1 4.36Å; V160-V192 HydrophobicContact CG2-CG2 3.7Å; C162-V192 HydrophobicContact CB-CB 4.28Å; C162-V192 HydrophobicContact CB-CG1 4.08Å; I168-V192 HydrophobicContact CG2-CG2 4.2Å; V192-I201 HydrophobicContact CG2-CB 4.46Å; V192-A202 WeakPolarHBondContact CA-O 3.2Å; V192-A202 WeakPolarHBondContact CG2-O 3.44Å
193D96.6Very high90.2Very high33 Ų3332.2 Ų32.218%0.17620%0.201CC..EExtended strand (participates in β ladder)trans-141158.1178.4-162.613.9000110.9F191 I201 A202 F236F191-D193 HydrophobicContact CE1-CB 4.27Å; D193-I201 CarbonylContact O-C 3.5Å; D193-I201 VanDerWaalsContact O-CA 3.29Å; D193-I201 WeakPolarHBondContact O-CA 3.33Å; D193-A202 PolarHBondContact N-O 2.82Å; D193-A202 PolarHBondContact O-N 2.76Å; D193-F236 HydrophobicContact CB-CD2 4Å; D193-F236 HydrophobicContact CB-CE2 4.09Å
194F95.6Very high90.6Very high7 Ų728.2 Ų28.23%0.03117%0.173CC..EExtended strand (participates in β ladder)trans-98140.7173.2-84.2-83.6000110.7K151 F152 S153 P154 L158 V160 I201 V215 F236K151-F194 HydrophobicContact CB-CD2 4.43Å; F152-F194 VanDerWaalsContact O-CD2 3.23Å; F152-F194 WeakPolarHBondContact O-CD2 3.44Å; S153-F194 VanDerWaalsContact N-CE2 3.34Å; P154-F194 HydrophobicContact CG-CB 4.43Å; L158-F194 HydrophobicContact CB-CZ 4.14Å; V160-F194 HydrophobicContact CB-CD2 4.44Å; V160-F194 HydrophobicContact CB-CE2 3.65Å; V160-F194 HydrophobicContact CB-CZ 3.83Å; V160-F194 HydrophobicContact CG1-CD2 3.67Å; V160-F194 HydrophobicContact CG1-CE2 3.33Å; V160-F194 HydrophobicContact CG1-CZ 3.98Å; F194-I201 HydrophobicContact CD1-CG2 3.39Å; F194-I201 HydrophobicContact CD2-CG2 4.41Å; F194-I201 HydrophobicContact CE1-CG2 3.46Å; F194-I201 VanDerWaalsContact CE1-CG2 3.46Å; F194-I201 HydrophobicContact CE2-CG2 4.48Å; F194-I201 HydrophobicContact CG-CG2 3.9Å; F194-I201 HydrophobicContact CZ-CG2 4.03Å; F194-V215 HydrophobicContact CE1-CG2 4.07Å; F194-F236 VanDerWaalsContact C-CD2 3.5Å; F194-F236 VanDerWaalsContact C-CE2 3.41Å; F194-F236 VanDerWaalsContact O-CD2 3.27Å; F194-F236 WeakPolarHBondContact O-CD2 3.34Å
195N94.2Very high91.4Very high16 Ų1626.4 Ų26.49%0.08617%0.165CC..  trans-58.7137164.2-173.4-40.4000108.7S197 G198 C200 F236 G240N195-S197 PolarHBondContact O-N 3.38Å; N195-S197 WeakPolarHBondContact OD1-CB 3.37Å; N195-S197 PolarHBondContact OD1-N 2.84Å; N195-S197 PolarHBondContact OD1-OG 2.86Å; N195-S197 VanDerWaalsContact OD1-OG 3.1Å; N195-G198 PolarHBondContact O-N 2.83Å; N195-C200 HydrophobicContact CB-CB 4.26Å; N195-C200 PolarHBondContact N-O 3.4Å; N195-F236 HydrophobicContact CB-CD1 4Å; N195-F236 HydrophobicContact CB-CE1 3.63Å; N195-F236 HydrophobicContact CB-CE2 4.47Å; N195-F236 HydrophobicContact CB-CZ 3.89Å; N195-G240 PolarHBondContact ND2-O 2.94Å; N195-G240 VanDerWaalsContact ND2-O 3.08Å; N195-G240 WeakPolarHBondContact OD1-CA 3.39Å
196P90.5Very high92.8Very high33 Ų3323.4 Ų23.421%0.21414%0.144CC..THydrogen-bonded Turntrans-48.8-25.1170.5-30.434.8000114.7G198 F236 R316P196-G198 VanDerWaalsContact C-N 3.26Å; P196-G198 PolarHBondContact O-N 2.85Å; P196-F236 HydrophobicContact CG-CB 4.31Å; P196-R316 PolarHBondContact O-NH1 2.8Å
197S87.9Confident93.3Very high37 Ų3720 Ų2026%0.25912%0.122SC..THydrogen-bonded Turntrans-65.3-22.7171.874.80000114.2N195 T199 R316N195-S197 PolarHBondContact O-N 3.38Å; N195-S197 WeakPolarHBondContact OD1-CB 3.37Å; N195-S197 PolarHBondContact OD1-N 2.84Å; N195-S197 PolarHBondContact OD1-OG 2.86Å; N195-S197 VanDerWaalsContact OD1-OG 3.1Å; S197-T199 PolarHBondContact O-N 2.65Å; S197-T199 PolarHBondContact OG-N 3Å; S197-T199 VanDerWaalsContact OG-N 3.11Å; S197-T199 PolarHBondContact OG-OG1 2.86Å; S197-R316 VanDerWaalsContact O-CZ 3.3Å; S197-R316 PolarHBondContact O-NH1 2.89Å; S197-R316 PolarHBondContact O-NH2 3.48Å
198G89Confident93.7Very high26 Ų2623.2 Ų23.227%0.26814%0.136SC..SBendtrans71.84.6-171.700000114.9N195 P196N195-G198 PolarHBondContact O-N 2.83Å; P196-G198 VanDerWaalsContact C-N 3.26Å; P196-G198 PolarHBondContact O-N 2.85Å
199T90.3Very high93.7Very high44 Ų4420.6 Ų20.627%0.2713%0.125SC..SBendtrans-87.4-30.8-177.460.40000113.5S197 V215S197-T199 PolarHBondContact O-N 2.65Å; S197-T199 PolarHBondContact OG-N 3Å; S197-T199 VanDerWaalsContact OG-N 3.11Å; S197-T199 PolarHBondContact OG-OG1 2.86Å; T199-V215 WeakPolarHBondContact O-CB 3.25Å; T199-V215 PolarHBondContact O-N 2.87Å
200C93.4Very high93.8Very high14 Ų1420.3 Ų20.310%0.09512%0.123CC..EExtended strand (participates in β ladder)trans-130.5156.2-171.6-52.80000111.6N195 V212 W213N195-C200 HydrophobicContact CB-CB 4.26Å; N195-C200 PolarHBondContact N-O 3.4Å; C200-V212 HydrophobicContact CB-CG1 4.18Å; C200-W213 CarbonylContact C-O 3.52Å; C200-W213 WeakPolarHBondContact CA-O 3.28Å; C200-W213 WeakPolarHBondContact CB-O 3.43Å
201I95.7Very high93.8Very high0 Ų020.3 Ų20.30%012%0.122CC..EExtended strand (participates in β ladder)trans-117.3149.416755.1168.5000110.1V160 I168 I170 F182 V192 D193 F194 V212 W213 V215V160-I201 HydrophobicContact CB-CG2 4.33Å; V160-I201 HydrophobicContact CG1-CG2 4.27Å; V160-I201 HydrophobicContact CG2-CD1 3.84Å; V160-I201 HydrophobicContact CG2-CG2 4.23Å; I168-I201 HydrophobicContact CG2-CD1 3.95Å; I170-I201 HydrophobicContact CD1-CD1 4.34Å; F182-I201 HydrophobicContact CD2-CD1 4.01Å; F182-I201 HydrophobicContact CE2-CD1 3.68Å; V192-I201 HydrophobicContact CG2-CB 4.46Å; D193-I201 CarbonylContact O-C 3.5Å; D193-I201 VanDerWaalsContact O-CA 3.29Å; D193-I201 WeakPolarHBondContact O-CA 3.33Å; F194-I201 HydrophobicContact CD1-CG2 3.39Å; F194-I201 HydrophobicContact CD2-CG2 4.41Å; F194-I201 HydrophobicContact CE1-CG2 3.46Å; F194-I201 VanDerWaalsContact CE1-CG2 3.46Å; F194-I201 HydrophobicContact CE2-CG2 4.48Å; F194-I201 HydrophobicContact CG-CG2 3.9Å; F194-I201 HydrophobicContact CZ-CG2 4.03Å; I201-V212 CarbonylContact O-C 3.51Å; I201-V212 WeakPolarHBondContact O-CA 3.45Å; I201-W213 HydrophobicContact CD1-CB 4.34Å; I201-W213 HydrophobicContact CG1-CB 3.87Å; I201-W213 HydrophobicContact CG1-CG 4.4Å; I201-W213 PolarHBondContact N-O 2.85Å; I201-W213 PolarHBondContact O-N 3.41Å; I201-V215 HydrophobicContact CG2-CG2 3.93Å
202A95.9Very high93.7Very high0 Ų018.5 Ų18.50%011%0.114CC..EExtended strand (participates in β ladder)trans-118.1139.7168.800000110.3V192 D193 K211 V212 I234 F236 L243V192-A202 WeakPolarHBondContact CA-O 3.2Å; V192-A202 WeakPolarHBondContact CG2-O 3.44Å; D193-A202 PolarHBondContact N-O 2.82Å; D193-A202 PolarHBondContact O-N 2.76Å; A202-K211 WeakPolarHBondContact CA-O 3.4Å; A202-V212 HydrophobicContact CB-CG2 4.18Å; A202-I234 HydrophobicContact CB-CG2 4.24Å; A202-F236 HydrophobicContact CB-CE1 4.49Å; A202-F236 HydrophobicContact CB-CE2 3.6Å; A202-F236 HydrophobicContact CB-CZ 3.47Å; A202-F236 VanDerWaalsContact CB-CZ 3.47Å; A202-L243 HydrophobicContact CB-CD1 4.17Å; A202-L243 HydrophobicContact CB-CD2 4.05Å
203S95.6Very high93.6Very high5 Ų520.1 Ų20.14%0.03512%0.12CC..EExtended strand (participates in β ladder)trans-124.7133.1-179.1580000112.4I168 F191 K211I168-S203 VanDerWaalsContact CD1-CB 3.41Å; I168-S203 WeakPolarHBondContact CD1-OG 3.37Å; F191-S203 WeakPolarHBondContact O-CA 3.27Å; S203-K211 PolarHBondContact N-O 3.04Å; S203-K211 PolarHBondContact O-N 3.04Å; S203-K211 PolarHBondContact OG-O 2.84Å
204A95.4Very high93.5Very high0 Ų019.9 Ų19.90%012%0.119CC..EExtended strand (participates in β ladder)trans-89.6108.6179.800000110.6A189 N190 F191 V231 I234A189-A204 CarbonylContact C-O 3.58Å; A189-A204 VanDerWaalsContact CA-O 3.24Å; A189-A204 WeakPolarHBondContact CA-O 3.44Å; N190-A204 PolarHBondContact N-O 3.24Å; F191-A204 HydrophobicContact CB-CB 3.93Å; F191-A204 PolarHBondContact O-N 2.9Å; A204-V231 HydrophobicContact CB-CB 4.06Å; A204-V231 HydrophobicContact CB-CG1 3.87Å; A204-I234 HydrophobicContact CB-CD1 3.64Å; A204-I234 HydrophobicContact CB-CG1 3.84Å
205G93.9Very high93.3Very high6 Ų620.3 Ų20.36%0.06212%0.122CC..EExtended strand (participates in β ladder)trans-83.3140.9-174.800000114.4D207 Q208 T209 V231G205-D207 WeakPolarHBondContact CA-OD1 3.4Å; G205-D207 PolarHBondContact O-N 2.98Å; G205-Q208 PolarHBondContact O-N 2.9Å; G205-T209 WeakPolarHBondContact CA-O 3.43Å; G205-T209 PolarHBondContact N-O 2.64Å; G205-V231 PolarHBondContact O-N 3.01Å
206S93.3Very high93Very high39 Ų3929.2 Ų29.227%0.27316%0.155SC..THydrogen-bonded Turntrans-64.9-20164.271.70000112.4G187 F188 Q208G187-S206 WeakPolarHBondContact CA-OG 3.49Å; F188-S206 PolarHBondContact N-OG 2.92Å; F188-S206 WeakPolarHBondContact O-CB 3.47Å; F188-S206 PolarHBondContact O-N 3.47Å; F188-S206 PolarHBondContact O-OG 3.09Å; S206-Q208 PolarHBondContact O-N 2.97Å
207D91.7Very high93Very high27 Ų2731.7 Ų31.714%0.14417%0.169CC..THydrogen-bonded Turntrans-84.418.617967-12.3000113.7V186 G205 T209 K211V186-D207 HydrophobicContact CB-CB 4.42Å; V186-D207 HydrophobicContact CG1-CB 3.85Å; G205-D207 WeakPolarHBondContact CA-OD1 3.4Å; G205-D207 PolarHBondContact O-N 2.98Å; D207-T209 PolarHBondContact O-N 2.75Å; D207-T209 WeakPolarHBondContact OD1-CB 3.42Å; D207-T209 PolarHBondContact OD1-N 3.42Å; D207-T209 VanDerWaalsContact OD1-N 3.1Å; D207-T209 PolarHBondContact OD1-OG1 3.13Å; D207-T209 PolarHBondContact OD2-OG1 2.85Å; D207-T209 VanDerWaalsContact OD2-OG1 3.11Å; D207-K211 IonicContact OD2-NZ 3.41Å; D207-K211 PolarHBondContact OD2-NZ 3.06Å
208Q93.6Very high93.1Very high71 Ų7132.9 Ų32.933%0.33217%0.172SC..SBendtrans69.62.6-177.3-42.8167-3.800114.5G205 S206 S228 G229G205-Q208 PolarHBondContact O-N 2.9Å; S206-Q208 PolarHBondContact O-N 2.97Å; Q208-S228 PolarHBondContact NE2-O 3.13Å; Q208-G229 WeakPolarHBondContact CA-O 3.45Å
209T93.5Very high93.1Very high7 Ų738.1 Ų38.14%0.04319%0.188CC..EExtended strand (participates in β ladder)trans-95.5157.4-177.874.70000113.1G205 D207 K211 H223 Y224 Q225G205-T209 WeakPolarHBondContact CA-O 3.43Å; G205-T209 PolarHBondContact N-O 2.64Å; D207-T209 PolarHBondContact O-N 2.75Å; D207-T209 WeakPolarHBondContact OD1-CB 3.42Å; D207-T209 PolarHBondContact OD1-N 3.42Å; D207-T209 VanDerWaalsContact OD1-N 3.1Å; D207-T209 PolarHBondContact OD1-OG1 3.13Å; D207-T209 PolarHBondContact OD2-OG1 2.85Å; D207-T209 VanDerWaalsContact OD2-OG1 3.11Å; T209-K211 WeakPolarHBondContact OG1-CD 3.48Å; T209-K211 WeakPolarHBondContact OG1-CE 3.23Å; T209-K211 PolarHBondContact OG1-NZ 3.09Å; T209-K211 VanDerWaalsContact OG1-NZ 3.07Å; T209-H223 VanDerWaalsContact CG2-NE2 3.34Å; T209-H223 WeakPolarHBondContact CG2-NE2 3.49Å; T209-Y224 CarbonylContact C-O 3.53Å; T209-Y224 WeakPolarHBondContact CA-O 3.39Å; T209-Q225 HydrophobicContact CG2-CB 4.49Å
210V95.5Very high93.3Very high1 Ų139.7 Ų39.71%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-121126.7161.7176.20000108.6Y224 V231 I234 L243 T245V210-Y224 HydrophobicContact CG1-CD2 4.46Å; V210-Y224 PolarHBondContact N-O 2.96Å; V210-Y224 PolarHBondContact O-N 3.3Å; V210-V231 HydrophobicContact CG2-CB 4.39Å; V210-V231 HydrophobicContact CG2-CG1 4.04Å; V210-V231 HydrophobicContact CG2-CG2 4Å; V210-I234 HydrophobicContact CB-CD1 4.29Å; V210-I234 HydrophobicContact CG1-CD1 3.53Å; V210-I234 HydrophobicContact CG2-CD1 3.83Å; V210-L243 HydrophobicContact CG1-CD2 3.85Å; V210-T245 HydrophobicContact CG2-CG2 3.79Å
211K94.8Very high93.2Very high18 Ų1843.4 Ų43.48%0.07821%0.212CC..EExtended strand (participates in β ladder)trans-120.1128.4-174.3-76.5153.3179.7162.10109.2D184 A202 S203 D207 T209 W213 L220 H223D184-K211 IonicContact OD1-NZ 2.67Å; D184-K211 IonicContact OD2-NZ 3.4Å; D184-K211 PolarHBondContact OD2-NZ 2.98Å; A202-K211 WeakPolarHBondContact CA-O 3.4Å; S203-K211 PolarHBondContact N-O 3.04Å; S203-K211 PolarHBondContact O-N 3.04Å; S203-K211 PolarHBondContact OG-O 2.84Å; D207-K211 IonicContact OD2-NZ 3.41Å; D207-K211 PolarHBondContact OD2-NZ 3.06Å; T209-K211 WeakPolarHBondContact OG1-CD 3.48Å; T209-K211 WeakPolarHBondContact OG1-CE 3.23Å; T209-K211 PolarHBondContact OG1-NZ 3.09Å; T209-K211 VanDerWaalsContact OG1-NZ 3.07Å; K211-W213 HydrophobicContact CB-CZ2 4.38Å; K211-L220 HydrophobicContact CB-CD1 3.78Å; K211-L220 HydrophobicContact CG-CD1 4.02Å; K211-H223 WeakPolarHBondContact CE-CD2 3.37Å; K211-H223 WeakPolarHBondContact CE-NE2 3.45Å
212V95.3Very high93.1Very high4 Ų445.7 Ų45.72%0.02422%0.223CC..EExtended strand (participates in β ladder)trans-113.8127.8179.8-174.80000109.1C200 I201 A202 L221 Q222 Y224 L257C200-V212 HydrophobicContact CB-CG1 4.18Å; I201-V212 CarbonylContact O-C 3.51Å; I201-V212 WeakPolarHBondContact O-CA 3.45Å; A202-V212 HydrophobicContact CB-CG2 4.18Å; V212-L221 PolarHBondContact O-N 3.01Å; V212-Q222 HydrophobicContact CB-CB 4.2Å; V212-Q222 HydrophobicContact CG2-CB 4.44Å; V212-Q222 PolarHBondContact N-O 3.34Å; V212-Q222 PolarHBondContact O-N 2.96Å; V212-Y224 HydrophobicContact CG2-CD2 4.41Å; V212-Y224 HydrophobicContact CG2-CE2 3.94Å; V212-L257 HydrophobicContact CG2-CD2 4.27Å
213W94.8Very high93Very high35 Ų3550.3 Ų50.313%0.13324%0.244CC..EExtended strand (participates in β ladder)trans-123.9141.6-173-49.278.5000111.3F182 C200 I201 K211 K219 L220F182-W213 HydrophobicContact CB-CD2 4.43Å; F182-W213 HydrophobicContact CB-CE3 4.36Å; F182-W213 HydrophobicContact CB-CH2 4.28Å; F182-W213 HydrophobicContact CB-CZ2 4.33Å; F182-W213 HydrophobicContact CB-CZ3 4.29Å; F182-W213 AromaticContact CD1-CD2 3.72Å; F182-W213 HydrophobicContact CD1-CD2 3.72Å; F182-W213 AromaticContact CD1-CE3 3.19Å; F182-W213 HydrophobicContact CD1-CE3 3.19Å; F182-W213 HydrophobicContact CD1-CG 4.32Å; F182-W213 HydrophobicContact CD1-CH2 4.38Å; F182-W213 AromaticContact CD1-CZ3 3.58Å; F182-W213 HydrophobicContact CD1-CZ3 3.58Å; F182-W213 HydrophobicContact CE1-CB 4.07Å; F182-W213 HydrophobicContact CE1-CD2 4.07Å; F182-W213 AromaticContact CE1-CE3 3.56Å; F182-W213 HydrophobicContact CE1-CE3 3.56Å; F182-W213 HydrophobicContact CE1-CG 4.31Å; F182-W213 HydrophobicContact CE1-CZ3 4.31Å; F182-W213 HydrophobicContact CE2-CB 4.41Å; F182-W213 HydrophobicContact CG-CD2 4.03Å; F182-W213 AromaticContact CG-CE3 3.92Å; F182-W213 HydrophobicContact CG-CE3 3.92Å; F182-W213 HydrophobicContact CG-CG 4.49Å; F182-W213 HydrophobicContact CG-CZ3 4.27Å; F182-W213 HydrophobicContact CZ-CB 3.99Å; C200-W213 CarbonylContact C-O 3.52Å; C200-W213 WeakPolarHBondContact CA-O 3.28Å; C200-W213 WeakPolarHBondContact CB-O 3.43Å; I201-W213 HydrophobicContact CD1-CB 4.34Å; I201-W213 HydrophobicContact CG1-CB 3.87Å; I201-W213 HydrophobicContact CG1-CG 4.4Å; I201-W213 PolarHBondContact N-O 2.85Å; I201-W213 PolarHBondContact O-N 3.41Å; K211-W213 HydrophobicContact CB-CZ2 4.38Å; W213-K219 CarbonylContact C-O 3.59Å; W213-K219 WeakPolarHBondContact CA-O 3.35Å; W213-L220 HydrophobicContact CD2-CB 4.32Å; W213-L220 HydrophobicContact CD2-CD1 3.84Å; W213-L220 HydrophobicContact CE3-CB 3.77Å; W213-L220 HydrophobicContact CE3-CD1 4.13Å; W213-L220 VanDerWaalsContact CE3-N 3.34Å; W213-L220 HydrophobicContact CG-CD1 4.37Å; W213-L220 HydrophobicContact CH2-CB 4.29Å; W213-L220 HydrophobicContact CH2-CD1 4.19Å; W213-L220 HydrophobicContact CZ2-CD1 3.91Å; W213-L220 HydrophobicContact CZ3-CB 3.75Å; W213-L220 HydrophobicContact CZ3-CD1 4.3Å
214D93.6Very high92.9Very high28 Ų2850.9 Ų50.915%0.1525%0.246CC..EExtended strand (participates in β ladder)trans-79.8125.7169.4-170.2-55.1000109.9R216 V217 N218 K219 L221D214-R216 WeakPolarHBondContact OD1-CA 3.47Å; D214-R216 WeakPolarHBondContact OD1-CB 3.36Å; D214-R216 PolarHBondContact OD1-N 3.02Å; D214-V217 HydrophobicContact CB-CB 4.04Å; D214-V217 HydrophobicContact CB-CG2 4.4Å; D214-V217 PolarHBondContact OD1-N 2.97Å; D214-N218 VanDerWaalsContact O-CA 3.31Å; D214-N218 WeakPolarHBondContact O-CA 3.23Å; D214-N218 PolarHBondContact O-N 3.01Å; D214-K219 PolarHBondContact N-O 2.72Å; D214-L221 HydrophobicContact CB-CD1 3.95Å; D214-L221 HydrophobicContact CB-CD2 4.07Å; D214-L221 HydrophobicContact CB-CG 3.96Å
215V91.1Very high92.7Very high16 Ų1657.4 Ų57.410%0.09728%0.276CS..THydrogen-bonded Turntrans-71.7-31.6-177.7173.90000112.3L158 I170 N180 F194 T199 I201L158-V215 HydrophobicContact CD1-CG1 3.8Å; I170-V215 HydrophobicContact CD1-CB 4.37Å; I170-V215 HydrophobicContact CD1-CG1 3.88Å; I170-V215 HydrophobicContact CD1-CG2 4.06Å; N180-V215 PolarHBondContact ND2-O 3.25Å; F194-V215 HydrophobicContact CE1-CG2 4.07Å; T199-V215 WeakPolarHBondContact O-CB 3.25Å; T199-V215 PolarHBondContact O-N 2.87Å; I201-V215 HydrophobicContact CG2-CG2 3.93Å
216R89.1Confident92.5Very high203 Ų20358.4 Ų58.477%0.76628%0.282SS*.THydrogen-bonded Turntrans-86.8-43.1-176.5-58.5177.2176.3-174.7-2.1111.9D214 N218D214-R216 WeakPolarHBondContact OD1-CA 3.47Å; D214-R216 WeakPolarHBondContact OD1-CB 3.36Å; D214-R216 PolarHBondContact OD1-N 3.02Å; R216-N218 VanDerWaalsContact C-N 3.34Å
217V90.1Very high92.5Very high85 Ų8557 Ų5752%0.51527%0.271SS..THydrogen-bonded Turntrans-83.8-16.1-179.1-172.10000111.2D214 K219D214-V217 HydrophobicContact CB-CB 4.04Å; D214-V217 HydrophobicContact CB-CG2 4.4Å; D214-V217 PolarHBondContact OD1-N 2.97Å; V217-K219 VanDerWaalsContact C-N 3.33Å; V217-K219 HydrophobicContact CG1-CB 4.29Å; V217-K219 HydrophobicContact CG1-CD 3.86Å; V217-K219 HydrophobicContact CG1-CG 4.05Å; V217-K219 PolarHBondContact O-N 2.74Å
218N89.1Confident92.6Very high62 Ų6260.1 Ų60.133%0.33230%0.295SS..THydrogen-bonded Turntrans55.245.7-179.2-165.365.8000112.1N180 F182 D214 R216N180-N218 VanDerWaalsContact CB-OD1 3.3Å; N180-N218 WeakPolarHBondContact CB-OD1 3.19Å; N180-N218 PolarHBondContact ND2-OD1 3.49Å; F182-N218 HydrophobicContact CE1-CB 4.45Å; F182-N218 WeakPolarHBondContact CE1-OD1 3.14Å; F182-N218 VanDerWaalsContact CZ-OD1 3.25Å; F182-N218 WeakPolarHBondContact CZ-OD1 3.19Å; D214-N218 VanDerWaalsContact O-CA 3.31Å; D214-N218 WeakPolarHBondContact O-CA 3.23Å; D214-N218 PolarHBondContact O-N 3.01Å; R216-N218 VanDerWaalsContact C-N 3.34Å
219K90.6Very high92.6Very high135 Ų13557.3 Ų57.359%0.58729%0.285SS*.EExtended strand (participates in β ladder)trans-135.2152.4-178.6-73-174.8-173179.60111.9W213 D214 V217W213-K219 CarbonylContact C-O 3.59Å; W213-K219 WeakPolarHBondContact CA-O 3.35Å; D214-K219 PolarHBondContact N-O 2.72Å; V217-K219 VanDerWaalsContact C-N 3.33Å; V217-K219 HydrophobicContact CG1-CB 4.29Å; V217-K219 HydrophobicContact CG1-CD 3.86Å; V217-K219 HydrophobicContact CG1-CG 4.05Å; V217-K219 PolarHBondContact O-N 2.74Å
220L93.1Very high92.6Very high77 Ų7757.8 Ų57.840%0.40329%0.29SS..EExtended strand (participates in β ladder)trans-66.6128.2166.8-172.769000108.8K211 W213 Q222 H223K211-L220 HydrophobicContact CB-CD1 3.78Å; K211-L220 HydrophobicContact CG-CD1 4.02Å; W213-L220 HydrophobicContact CD2-CB 4.32Å; W213-L220 HydrophobicContact CD2-CD1 3.84Å; W213-L220 HydrophobicContact CE3-CB 3.77Å; W213-L220 HydrophobicContact CE3-CD1 4.13Å; W213-L220 VanDerWaalsContact CE3-N 3.34Å; W213-L220 HydrophobicContact CG-CD1 4.37Å; W213-L220 HydrophobicContact CH2-CB 4.29Å; W213-L220 HydrophobicContact CH2-CD1 4.19Å; W213-L220 HydrophobicContact CZ2-CD1 3.91Å; W213-L220 HydrophobicContact CZ3-CB 3.75Å; W213-L220 HydrophobicContact CZ3-CD1 4.3Å; L220-Q222 WeakPolarHBondContact CD1-O 3.44Å; L220-H223 HydrophobicContact CD2-CB 4.36Å
221L92.3Very high92.7Very high92 Ų9257.7 Ų57.748%0.48229%0.29SS..EExtended strand (participates in β ladder)trans-95.2-49.3173.7-66.9177.3000111V212 D214V212-L221 PolarHBondContact O-N 3.01Å; D214-L221 HydrophobicContact CB-CD1 3.95Å; D214-L221 HydrophobicContact CB-CD2 4.07Å; D214-L221 HydrophobicContact CB-CG 3.96Å
222Q92.7Very high92.8Very high49 Ų4958.2 Ų58.223%0.22929%0.294CS..EExtended strand (participates in β ladder)trans-139.1144.5-172-67.4161.6-3000110.9V212 L220 Y224 L257V212-Q222 HydrophobicContact CB-CB 4.2Å; V212-Q222 HydrophobicContact CG2-CB 4.44Å; V212-Q222 PolarHBondContact N-O 3.34Å; V212-Q222 PolarHBondContact O-N 2.96Å; L220-Q222 WeakPolarHBondContact CD1-O 3.44Å; Q222-Y224 HydrophobicContact CB-CD2 4.28Å; Q222-Y224 HydrophobicContact CB-CE2 3.57Å; Q222-Y224 HydrophobicContact CG-CE2 4.41Å; Q222-Y224 PolarHBondContact NE2-OH 2.81Å; Q222-Y224 PolarHBondContact OE1-OH 3.41Å; Q222-Y224 VanDerWaalsContact OE1-OH 3.09Å; Q222-L257 PolarHBondContact NE2-O 2.98Å
223H93.2Very high92.8Very high96 Ų9658.3 Ų58.344%0.44430%0.295SS..EExtended strand (participates in β ladder)trans-131.7116.9179.9175.8-103.4000109.7T209 K211 L220T209-H223 VanDerWaalsContact CG2-NE2 3.34Å; T209-H223 WeakPolarHBondContact CG2-NE2 3.49Å; K211-H223 WeakPolarHBondContact CE-CD2 3.37Å; K211-H223 WeakPolarHBondContact CE-NE2 3.45Å; L220-H223 HydrophobicContact CD2-CB 4.36Å
224Y93.7Very high92.9Very high18 Ų1856.8 Ų56.87%0.07129%0.289CS..EExtended strand (participates in β ladder)trans-120110.4-174.5-58.5-78.1000110.4T209 V210 V212 Q222 L255 D256 L257 G260T209-Y224 CarbonylContact C-O 3.53Å; T209-Y224 WeakPolarHBondContact CA-O 3.39Å; V210-Y224 HydrophobicContact CG1-CD2 4.46Å; V210-Y224 PolarHBondContact N-O 2.96Å; V210-Y224 PolarHBondContact O-N 3.3Å; V212-Y224 HydrophobicContact CG2-CD2 4.41Å; V212-Y224 HydrophobicContact CG2-CE2 3.94Å; Q222-Y224 HydrophobicContact CB-CD2 4.28Å; Q222-Y224 HydrophobicContact CB-CE2 3.57Å; Q222-Y224 HydrophobicContact CG-CE2 4.41Å; Q222-Y224 PolarHBondContact NE2-OH 2.81Å; Q222-Y224 PolarHBondContact OE1-OH 3.41Å; Q222-Y224 VanDerWaalsContact OE1-OH 3.09Å; Y224-L255 HydrophobicContact CD1-CD1 4.4Å; Y224-L255 HydrophobicContact CD1-CD2 3.97Å; Y224-L255 HydrophobicContact CD2-CD1 4.22Å; Y224-L255 HydrophobicContact CE1-CD2 4.18Å; Y224-L255 HydrophobicContact CG-CD1 4.1Å; Y224-L255 HydrophobicContact CG-CD2 4.44Å; Y224-D256 PolarHBondContact OH-O 3.37Å; Y224-L257 HydrophobicContact CE2-CD2 4.16Å; Y224-G260 WeakPolarHBondContact CE1-O 3.37Å
225Q92.8Very high93.1Very high136 Ų13655.9 Ų55.964%0.63629%0.285SS*.EExtended strand (participates in β ladder)trans-10286170.1-172.1177.3-0.500108.7T209T209-Q225 HydrophobicContact CG2-CB 4.49Å
226V88.3Confident93.3Very high28 Ų2855.6 Ų55.617%0.1728%0.282CS..  trans-112.1-20.3-167.2-1460000113.3K253 L255 L262V226-K253 HydrophobicContact CB-CD 4.12Å; V226-K253 HydrophobicContact CG1-CD 3.59Å; V226-K253 WeakPolarHBondContact O-CE 3.3Å; V226-K253 PolarHBondContact O-NZ 3.47Å; V226-L255 HydrophobicContact CG2-CD1 4.32Å; V226-L255 HydrophobicContact CG2-CD2 4.11Å; V226-L262 HydrophobicContact CG1-CB 4.4Å; V226-L262 HydrophobicContact CG1-CD1 4.05Å; V226-L262 HydrophobicContact CG1-CD2 3.79Å; V226-L262 HydrophobicContact CG1-CG 4.31Å
227H94.3Very high93.5Very high10 Ų1045.9 Ų45.95%0.04625%0.246CC..  trans-108.5157-173-79.9-70.1000111G229 V231 T245 S247 D249 T251H227-G229 WeakPolarHBondContact CB-O 3.31Å; H227-V231 HydrophobicContact CB-CG2 4.28Å; H227-T245 PolarHBondContact NE2-OG1 2.94Å; H227-S247 WeakPolarHBondContact CE1-CB 3.41Å; H227-S247 VanDerWaalsContact CG-CB 3.47Å; H227-S247 WeakPolarHBondContact ND1-CB 3.23Å; H227-S247 PolarHBondContact ND1-OG 3.11Å; H227-D249 WeakPolarHBondContact CA-OD2 3.31Å; H227-D249 WeakPolarHBondContact CB-OD2 3.43Å; H227-D249 IonicContact CG-OD2 2.9Å; H227-D249 IonicContact ND1-OD1 3.4Å; H227-D249 PolarHBondContact ND1-OD1 3.01Å; H227-D249 IonicContact ND1-OD2 3.36Å; H227-D249 PolarHBondContact ND1-OD2 3.27Å; H227-T251 PolarHBondContact CE1-OG1 3.37Å; H227-T251 VanDerWaalsContact CE1-OG1 3.25Å; H227-T251 PolarHBondContact ND1-OG1 3.08Å
228S93.4Very high93.5Very high92 Ų9242.7 Ų42.764%0.64323%0.227SC*.SBendtrans-99-13.7170.854.10000112Q208 D249Q208-S228 PolarHBondContact NE2-O 3.13Å; S228-D249 PolarHBondContact N-OD2 2.91Å; S228-D249 VanDerWaalsContact OG-CB 3.31Å; S228-D249 WeakPolarHBondContact OG-CB 3.38Å
229G93.7Very high93.5Very high12 Ų1241.4 Ų41.412%0.12422%0.222CC..SBendtrans-109.1164.1171.700000112.7Q208 H227 S247 D249Q208-G229 WeakPolarHBondContact CA-O 3.45Å; H227-G229 WeakPolarHBondContact CB-O 3.31Å; G229-S247 PolarHBondContact O-OG 2.95Å; G229-D249 PolarHBondContact N-OD2 3.49Å; G229-D249 VanDerWaalsContact N-OD2 3.15Å
230G94.4Very high93.4Very high16 Ų1635.3 Ų35.317%0.16520%0.198CC..  trans-63.8135.2172.500000111.2S248G230-S248 WeakPolarHBondContact O-CB 3.28Å; G230-S248 PolarHBondContact O-N 2.92Å; G230-S248 PolarHBondContact O-OG 3.49Å
231V96.8Very high93.3Very high0 Ų033.8 Ų33.80%019%0.19CC..EExtended strand (participates in β ladder)trans-80.5122.6-176.8-167.90000108.8N190 A204 G205 V210 H227 I234 A246N190-V231 WeakPolarHBondContact CB-O 3.44Å; N190-V231 PolarHBondContact ND2-O 2.82Å; A204-V231 HydrophobicContact CB-CB 4.06Å; A204-V231 HydrophobicContact CB-CG1 3.87Å; G205-V231 PolarHBondContact O-N 3.01Å; V210-V231 HydrophobicContact CG2-CB 4.39Å; V210-V231 HydrophobicContact CG2-CG1 4.04Å; V210-V231 HydrophobicContact CG2-CG2 4Å; H227-V231 HydrophobicContact CB-CG2 4.28Å; V231-I234 HydrophobicContact CG1-CG1 4.32Å; V231-A246 WeakPolarHBondContact CG1-O 3.47Å
232N96Very high93.3Very high29 Ų2931.6 Ų31.616%0.15518%0.176CC..EExtended strand (participates in β ladder)trans-92.5-37.2-171.5-69.8-44.2000113F191 A246 S248 V273F191-N232 WeakPolarHBondContact CB-O 3.4Å; N232-A246 PolarHBondContact N-O 2.95Å; N232-S248 PolarHBondContact ND2-N 2.83Å; N232-S248 PolarHBondContact ND2-OG 3.29Å; N232-S248 PolarHBondContact OD1-OG 3.42Å; N232-V273 PolarHBondContact ND2-O 2.77Å
233C96.4Very high93.5Very high6 Ų629.2 Ų29.24%0.04117%0.165CC..EExtended strand (participates in β ladder)trans-153.2155.4-174.4-173.20000110.9A246 F274C233-A246 HydrophobicContact CB-CB 4.42Å; C233-A246 PolarHBondContact N-O 2.74Å; C233-A246 PolarHBondContact O-N 2.78Å; C233-F274 WeakPolarHBondContact CB-O 3.25Å
234I96.9Very high93.6Very high2 Ų224.7 Ų24.71%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-139.1148.3-178.5-75.6177.2000108.4F191 A202 A204 V210 V231 L243 I244 T245F191-I234 HydrophobicContact CD1-CB 4.46Å; F191-I234 VanDerWaalsContact CE1-O 3.26Å; F191-I234 WeakPolarHBondContact CE1-O 3.49Å; A202-I234 HydrophobicContact CB-CG2 4.24Å; A204-I234 HydrophobicContact CB-CD1 3.64Å; A204-I234 HydrophobicContact CB-CG1 3.84Å; V210-I234 HydrophobicContact CB-CD1 4.29Å; V210-I234 HydrophobicContact CG1-CD1 3.53Å; V210-I234 HydrophobicContact CG2-CD1 3.83Å; V231-I234 HydrophobicContact CG1-CG1 4.32Å; I234-L243 HydrophobicContact CG2-CD1 3.47Å; I234-L243 VanDerWaalsContact CG2-CD1 3.47Å; I234-L243 HydrophobicContact CG2-CD2 4.09Å; I234-L243 HydrophobicContact CG2-CG 3.83Å; I234-I244 WeakPolarHBondContact CA-O 3.39Å; I234-T245 HydrophobicContact CG1-CG2 4.2Å
235S96.4Very high93.7Very high10 Ų1023.8 Ų23.87%0.0714%0.14CC..EExtended strand (participates in β ladder)trans-142.6132167.4-172.40000111.2I244 F278S235-I244 PolarHBondContact N-O 2.73Å; S235-I244 PolarHBondContact O-N 3.16Å; S235-F278 WeakPolarHBondContact O-CE2 3.49Å; S235-F278 PolarHBondContact OG-N 3.02Å
236F95.8Very high93.9Very high9 Ų917.3 Ų17.34%0.03911%0.11CC..EExtended strand (participates in β ladder)trans-76.1140.2170.1-75.3-92.3000111.9D193 F194 N195 P196 A202 L243 L257 F278D193-F236 HydrophobicContact CB-CD2 4Å; D193-F236 HydrophobicContact CB-CE2 4.09Å; F194-F236 VanDerWaalsContact C-CD2 3.5Å; F194-F236 VanDerWaalsContact C-CE2 3.41Å; F194-F236 VanDerWaalsContact O-CD2 3.27Å; F194-F236 WeakPolarHBondContact O-CD2 3.34Å; N195-F236 HydrophobicContact CB-CD1 4Å; N195-F236 HydrophobicContact CB-CE1 3.63Å; N195-F236 HydrophobicContact CB-CE2 4.47Å; N195-F236 HydrophobicContact CB-CZ 3.89Å; P196-F236 HydrophobicContact CG-CB 4.31Å; A202-F236 HydrophobicContact CB-CE1 4.49Å; A202-F236 HydrophobicContact CB-CE2 3.6Å; A202-F236 HydrophobicContact CB-CZ 3.47Å; A202-F236 VanDerWaalsContact CB-CZ 3.47Å; F236-L243 HydrophobicContact CB-CD1 4.37Å; F236-L243 HydrophobicContact CD1-CD1 3.58Å; F236-L243 HydrophobicContact CD2-CD1 3.8Å; F236-L243 HydrophobicContact CE1-CD1 3.73Å; F236-L243 HydrophobicContact CE2-CD1 3.93Å; F236-L243 HydrophobicContact CG-CD1 3.63Å; F236-L243 HydrophobicContact CZ-CD1 3.91Å; F236-L257 HydrophobicContact CD1-CD1 3.82Å; F236-L257 HydrophobicContact CE1-CD1 3.53Å; F236-F278 WeakPolarHBondContact O-CD2 3.35Å
237H94.5Very high94.4Very high0 Ų016 Ų160%010%0.102CC..  trans-66.1143.2166.4-175.9-108.1000109.9S239 G240 Y242 F278 G282 D302H237-S239 PolarHBondContact ND1-N 3.12Å; H237-S239 PolarHBondContact ND1-OG 2.77Å; H237-S239 PolarHBondContact O-N 2.91Å; H237-G240 PolarHBondContact O-N 2.94Å; H237-Y242 HydrophobicContact CB-CD2 4.21Å; H237-Y242 WeakPolarHBondContact CB-O 3.32Å; H237-Y242 PolarHBondContact N-O 3.43Å; H237-Y242 AromaticContact ND1-CD2 3.77Å; H237-F278 VanDerWaalsContact CA-CE2 3.49Å; H237-F278 HydrophobicContact CB-CD2 4.16Å; H237-F278 HydrophobicContact CB-CE1 4.16Å; H237-F278 HydrophobicContact CB-CE2 3.68Å; H237-F278 HydrophobicContact CB-CZ 3.65Å; H237-F278 AromaticContact CD2-CD1 3.7Å; H237-F278 AromaticContact CD2-CE1 3.49Å; H237-F278 VanDerWaalsContact CD2-CE1 3.49Å; H237-F278 WeakPolarHBondContact CD2-CE1 3.49Å; H237-F278 AromaticContact CD2-CZ 3.9Å; H237-F278 VanDerWaalsContact N-CE2 3.25Å; H237-G282 WeakPolarHBondContact NE2-CA 3.26Å; H237-D302 PolarHBondContact CE1-O 3.24Å; H237-D302 VanDerWaalsContact CE1-O 3.28Å
238P90.3Very high94.5Very high17 Ų1717.8 Ų17.811%0.1112%0.116CC..THydrogen-bonded Turntrans-61.1-14-176.2-2737.2000116.4S279 L304 L309P238-S279 WeakPolarHBondContact CG-O 3.25Å; P238-L304 HydrophobicContact CB-CD1 4.38Å; P238-L309 HydrophobicContact CB-CD1 3.58Å; P238-L309 WeakPolarHBondContact O-CD2 3.47Å
239S88.4Confident94.5Very high35 Ų3515.6 Ų15.625%0.24510%0.097CC..THydrogen-bonded Turntrans-73.9-24.717067.90000113.6H237 N241H237-S239 PolarHBondContact ND1-N 3.12Å; H237-S239 PolarHBondContact ND1-OG 2.77Å; H237-S239 PolarHBondContact O-N 2.91Å; S239-N241 PolarHBondContact OG-N 2.93Å
240G89.1Confident94.6Very high7 Ų715.5 Ų15.57%0.07210%0.096CC..SBendtrans86.9-1.2-173.400000115.1N195 H237N195-G240 PolarHBondContact ND2-O 2.94Å; N195-G240 VanDerWaalsContact ND2-O 3.08Å; N195-G240 WeakPolarHBondContact OD1-CA 3.39Å; H237-G240 PolarHBondContact O-N 2.94Å
241N90.1Very high94.6Very high46 Ų4615.5 Ų15.525%0.2469%0.093CC..SBendtrans-90.4-32.7-176.9-60.1-6.1000113.5S239 L257 L258S239-N241 PolarHBondContact OG-N 2.93Å; N241-L257 VanDerWaalsContact O-CB 3.22Å; N241-L257 WeakPolarHBondContact O-CB 3.4Å; N241-L257 WeakPolarHBondContact O-CG 3.41Å; N241-L257 PolarHBondContact O-N 3Å; N241-L258 HydrophobicContact CB-CD1 4.13Å; N241-L258 HydrophobicContact CB-CG 4.23Å
242Y93Very high94.6Very high45 Ų4515.7 Ų15.718%0.1769%0.094CC..EExtended strand (participates in β ladder)trans-114.7151-174.1-46.8-69.6000112H237 L255 D256 I263 F301H237-Y242 HydrophobicContact CB-CD2 4.21Å; H237-Y242 WeakPolarHBondContact CB-O 3.32Å; H237-Y242 PolarHBondContact N-O 3.43Å; H237-Y242 AromaticContact ND1-CD2 3.77Å; Y242-L255 WeakPolarHBondContact CA-O 3.4Å; Y242-D256 HydrophobicContact CD1-CB 4.47Å; Y242-I263 HydrophobicContact CD1-CD1 3.98Å; Y242-I263 HydrophobicContact CE1-CD1 4.08Å; Y242-F301 HydrophobicContact CD1-CD1 4.24Å; Y242-F301 HydrophobicContact CD1-CE1 4.11Å; Y242-F301 HydrophobicContact CD2-CB 3.89Å; Y242-F301 AromaticContact CD2-CD1 3.68Å; Y242-F301 HydrophobicContact CD2-CD1 3.68Å; Y242-F301 HydrophobicContact CD2-CD2 4.25Å; Y242-F301 HydrophobicContact CD2-CE1 4.29Å; Y242-F301 AromaticContact CD2-CG 3.66Å; Y242-F301 HydrophobicContact CD2-CG 3.66Å; Y242-F301 AromaticContact CE1-CD1 4Å; Y242-F301 HydrophobicContact CE1-CD1 4Å; Y242-F301 HydrophobicContact CE1-CE1 4.03Å; Y242-F301 HydrophobicContact CE2-CB 3.73Å; Y242-F301 AromaticContact CE2-CD1 3.42Å; Y242-F301 HydrophobicContact CE2-CD1 3.42Å; Y242-F301 VanDerWaalsContact CE2-CD1 3.42Å; Y242-F301 HydrophobicContact CE2-CE1 4.24Å; Y242-F301 AromaticContact CE2-CG 3.71Å; Y242-F301 HydrophobicContact CE2-CG 3.71Å; Y242-F301 HydrophobicContact CG-CD1 4.09Å; Y242-F301 HydrophobicContact CG-CE1 4.24Å; Y242-F301 HydrophobicContact CG-CG 4.28Å; Y242-F301 AromaticContact CZ-CD1 3.59Å
243L95.3Very high94.6Very high0 Ų015.9 Ų15.90%09%0.093CC..EExtended strand (participates in β ladder)trans-131.7130.2179.8-163.873.7000109.7A202 V210 I234 F236 T245 I254 L255 L257A202-L243 HydrophobicContact CB-CD1 4.17Å; A202-L243 HydrophobicContact CB-CD2 4.05Å; V210-L243 HydrophobicContact CG1-CD2 3.85Å; I234-L243 HydrophobicContact CG2-CD1 3.47Å; I234-L243 VanDerWaalsContact CG2-CD1 3.47Å; I234-L243 HydrophobicContact CG2-CD2 4.09Å; I234-L243 HydrophobicContact CG2-CG 3.83Å; F236-L243 HydrophobicContact CB-CD1 4.37Å; F236-L243 HydrophobicContact CD1-CD1 3.58Å; F236-L243 HydrophobicContact CD2-CD1 3.8Å; F236-L243 HydrophobicContact CE1-CD1 3.73Å; F236-L243 HydrophobicContact CE2-CD1 3.93Å; F236-L243 HydrophobicContact CG-CD1 3.63Å; F236-L243 HydrophobicContact CZ-CD1 3.91Å; L243-T245 HydrophobicContact CD2-CG2 4.44Å; L243-I254 WeakPolarHBondContact O-CA 3.38Å; L243-L255 HydrophobicContact CB-CB 4.36Å; L243-L255 PolarHBondContact N-O 3Å; L243-L255 PolarHBondContact O-N 2.54Å; L243-L257 HydrophobicContact CB-CD1 4.22Å; L243-L257 HydrophobicContact CB-CD2 4.01Å; L243-L257 HydrophobicContact CB-CG 4.19Å; L243-L257 HydrophobicContact CD2-CD2 4.23Å
244I96.1Very high94.5Very high0 Ų015.6 Ų15.60%09%0.091CC..EExtended strand (participates in β ladder)trans-105.1135.7169.2-58179.7000109.9I234 S235 K253 I254 V276 F278 F285I234-I244 WeakPolarHBondContact CA-O 3.39Å; S235-I244 PolarHBondContact N-O 2.73Å; S235-I244 PolarHBondContact O-N 3.16Å; I244-K253 WeakPolarHBondContact CA-O 3.44Å; I244-I254 HydrophobicContact CD1-CD1 3.82Å; I244-I254 HydrophobicContact CD1-CG1 4.15Å; I244-I254 HydrophobicContact CG1-CB 4.33Å; I244-I254 HydrophobicContact CG1-CD1 4.08Å; I244-I254 HydrophobicContact CG1-CG1 3.88Å; I244-I254 HydrophobicContact CG1-CG2 4Å; I244-V276 HydrophobicContact CB-CG2 4.3Å; I244-V276 HydrophobicContact CG2-CB 4.45Å; I244-V276 HydrophobicContact CG2-CG1 4.13Å; I244-V276 HydrophobicContact CG2-CG2 3.64Å; I244-F278 HydrophobicContact CB-CE2 4.13Å; I244-F278 HydrophobicContact CB-CZ 4.45Å; I244-F278 HydrophobicContact CD1-CD1 4.29Å; I244-F278 HydrophobicContact CD1-CD2 4.39Å; I244-F278 HydrophobicContact CD1-CE1 3.54Å; I244-F278 HydrophobicContact CD1-CE2 3.69Å; I244-F278 HydrophobicContact CD1-CZ 3.22Å; I244-F278 HydrophobicContact CG1-CD2 4.48Å; I244-F278 HydrophobicContact CG1-CE1 4.21Å; I244-F278 HydrophobicContact CG1-CE2 3.51Å; I244-F278 HydrophobicContact CG1-CZ 3.37Å; I244-F285 HydrophobicContact CD1-CB 4.11Å; I244-F285 HydrophobicContact CD1-CD1 3.85Å; I244-F285 HydrophobicContact CD1-CD2 3.75Å; I244-F285 HydrophobicContact CD1-CE1 4.17Å; I244-F285 HydrophobicContact CD1-CE2 4.09Å; I244-F285 HydrophobicContact CD1-CG 3.63Å; I244-F285 HydrophobicContact CD1-CZ 4.28Å
245T96.9Very high94.4Very high0 Ų015.6 Ų15.60%09%0.091CC..EExtended strand (participates in β ladder)trans-117137.3-17962.60000109.7V210 H227 I234 L243 L252 K253 L255V210-T245 HydrophobicContact CG2-CG2 3.79Å; H227-T245 PolarHBondContact NE2-OG1 2.94Å; I234-T245 HydrophobicContact CG1-CG2 4.2Å; L243-T245 HydrophobicContact CD2-CG2 4.44Å; T245-L252 WeakPolarHBondContact O-CA 3.31Å; T245-K253 PolarHBondContact N-O 2.95Å; T245-K253 PolarHBondContact O-N 3.03Å; T245-K253 WeakPolarHBondContact OG1-CB 3.34Å; T245-K253 PolarHBondContact OG1-O 2.95Å; T245-L255 HydrophobicContact CG2-CD1 3.89Å
246A97Very high94.2Very high0 Ų015.5 Ų15.50%09%0.09CC..EExtended strand (participates in β ladder)trans-117.7128.7176.500000110.6V231 N232 C233 L252 V273 V276V231-A246 WeakPolarHBondContact CG1-O 3.47Å; N232-A246 PolarHBondContact N-O 2.95Å; C233-A246 HydrophobicContact CB-CB 4.42Å; C233-A246 PolarHBondContact N-O 2.74Å; C233-A246 PolarHBondContact O-N 2.78Å; A246-L252 HydrophobicContact CB-CD2 3.8Å; A246-V273 HydrophobicContact CB-CB 4.15Å; A246-V273 HydrophobicContact CB-CG1 3.92Å; A246-V276 HydrophobicContact CB-CB 3.98Å; A246-V276 HydrophobicContact CB-CG1 3.71Å
247S97.3Very high93.9Very high0 Ų016 Ų160%09%0.093CC..EExtended strand (participates in β ladder)trans-124.2156.1-169.21780000114.4H227 G229 D249 G250 T251 V273H227-S247 WeakPolarHBondContact CE1-CB 3.41Å; H227-S247 VanDerWaalsContact CG-CB 3.47Å; H227-S247 WeakPolarHBondContact ND1-CB 3.23Å; H227-S247 PolarHBondContact ND1-OG 3.11Å; G229-S247 PolarHBondContact O-OG 2.95Å; S247-D249 WeakPolarHBondContact CB-OD1 3.46Å; S247-D249 WeakPolarHBondContact CB-OD2 3.42Å; S247-D249 PolarHBondContact O-N 2.97Å; S247-D249 PolarHBondContact OG-N 3.15Å; S247-D249 PolarHBondContact OG-OD1 2.91Å; S247-D249 PolarHBondContact OG-OD2 2.83Å; S247-G250 PolarHBondContact O-N 2.97Å; S247-T251 PolarHBondContact N-O 3.12Å; S247-V273 CarbonylContact C-O 3.58Å; S247-V273 PolarHBondContact O-N 2.63Å
248S96Very high93.6Very high48 Ų4821.8 Ų21.834%0.33612%0.123SC..THydrogen-bonded Turntrans-64.9-14.3170.9-52.90000113.7G230 N232 G250G230-S248 WeakPolarHBondContact O-CB 3.28Å; G230-S248 PolarHBondContact O-N 2.92Å; G230-S248 PolarHBondContact O-OG 3.49Å; N232-S248 PolarHBondContact ND2-N 2.83Å; N232-S248 PolarHBondContact ND2-OG 3.29Å; N232-S248 PolarHBondContact OD1-OG 3.42Å; S248-G250 PolarHBondContact O-N 2.97Å
249D94.9Very high93.4Very high45 Ų4527 Ų2724%0.24115%0.146CC..THydrogen-bonded Turntrans-76.2-3.6172.658.144.3000114.3H227 S228 G229 S247 T251H227-D249 WeakPolarHBondContact CA-OD2 3.31Å; H227-D249 WeakPolarHBondContact CB-OD2 3.43Å; H227-D249 IonicContact CG-OD2 2.9Å; H227-D249 IonicContact ND1-OD1 3.4Å; H227-D249 PolarHBondContact ND1-OD1 3.01Å; H227-D249 IonicContact ND1-OD2 3.36Å; H227-D249 PolarHBondContact ND1-OD2 3.27Å; S228-D249 PolarHBondContact N-OD2 2.91Å; S228-D249 VanDerWaalsContact OG-CB 3.31Å; S228-D249 WeakPolarHBondContact OG-CB 3.38Å; G229-D249 PolarHBondContact N-OD2 3.49Å; G229-D249 VanDerWaalsContact N-OD2 3.15Å; S247-D249 WeakPolarHBondContact CB-OD1 3.46Å; S247-D249 WeakPolarHBondContact CB-OD2 3.42Å; S247-D249 PolarHBondContact O-N 2.97Å; S247-D249 PolarHBondContact OG-N 3.15Å; S247-D249 PolarHBondContact OG-OD1 2.91Å; S247-D249 PolarHBondContact OG-OD2 2.83Å; D249-T251 VanDerWaalsContact C-N 3.31Å; D249-T251 WeakPolarHBondContact OD1-CB 3.33Å; D249-T251 PolarHBondContact OD1-N 2.81Å; D249-T251 PolarHBondContact OD1-OG1 3.26Å
250G94.2Very high93.3Very high10 Ų1027 Ų2710%0.10315%0.151CC..SBendtrans86.8-5.3179.400000114.6S247 S248 G271 V273S247-G250 PolarHBondContact O-N 2.97Å; S248-G250 PolarHBondContact O-N 2.97Å; G250-G271 VanDerWaalsContact CA-O 3.3Å; G250-G271 WeakPolarHBondContact CA-O 3.45Å; G250-V273 WeakPolarHBondContact O-CG2 3.23Å
251T95.9Very high93.3Very high17 Ų1733 Ų3310%0.10417%0.172CC..  trans-92.2149.2176.372.40000112.4H227 S247 D249 K253 T265 Q267H227-T251 PolarHBondContact CE1-OG1 3.37Å; H227-T251 VanDerWaalsContact CE1-OG1 3.25Å; H227-T251 PolarHBondContact ND1-OG1 3.08Å; S247-T251 PolarHBondContact N-O 3.12Å; D249-T251 VanDerWaalsContact C-N 3.31Å; D249-T251 WeakPolarHBondContact OD1-CB 3.33Å; D249-T251 PolarHBondContact OD1-N 2.81Å; D249-T251 PolarHBondContact OD1-OG1 3.26Å; T251-K253 WeakPolarHBondContact OG1-CE 3.39Å; T251-T265 HydrophobicContact CG2-CG2 4.17Å; T251-Q267 HydrophobicContact CG2-CG 4.28Å
252L96.4Very high93.4Very high3 Ų333.7 Ų33.72%0.01618%0.175CC..EExtended strand (participates in β ladder)trans-100.6143.2158.8-62.9168.3000108.1T245 A246 L266 V273 V276 F285T245-L252 WeakPolarHBondContact O-CA 3.31Å; A246-L252 HydrophobicContact CB-CD2 3.8Å; L252-L266 HydrophobicContact CB-CB 4.25Å; L252-L266 PolarHBondContact N-O 2.8Å; L252-L266 PolarHBondContact O-N 2.9Å; L252-V273 HydrophobicContact CD2-CG1 3.91Å; L252-V276 HydrophobicContact CD2-CB 4.13Å; L252-V276 HydrophobicContact CD2-CG2 4.12Å; L252-F285 HydrophobicContact CD1-CE2 4.16Å
253K95.6Very high93.3Very high33 Ų3334 Ų3414%0.14318%0.179CC..EExtended strand (participates in β ladder)trans-130.2143.3173.7-64.7-170.4-177-161.90111.5V226 I244 T245 T251 L262 Y264 T265V226-K253 HydrophobicContact CB-CD 4.12Å; V226-K253 HydrophobicContact CG1-CD 3.59Å; V226-K253 WeakPolarHBondContact O-CE 3.3Å; V226-K253 PolarHBondContact O-NZ 3.47Å; I244-K253 WeakPolarHBondContact CA-O 3.44Å; T245-K253 PolarHBondContact N-O 2.95Å; T245-K253 PolarHBondContact O-N 3.03Å; T245-K253 WeakPolarHBondContact OG1-CB 3.34Å; T245-K253 PolarHBondContact OG1-O 2.95Å; T251-K253 WeakPolarHBondContact OG1-CE 3.39Å; K253-L262 HydrophobicContact CB-CD1 3.79Å; K253-L262 HydrophobicContact CD-CD1 4.15Å; K253-L262 HydrophobicContact CD-CD2 4.42Å; K253-L262 HydrophobicContact CG-CD1 4.22Å; K253-Y264 WeakPolarHBondContact CA-O 3.4Å; K253-T265 HydrophobicContact CD-CG2 4.42Å; K253-T265 WeakPolarHBondContact CE-OG1 3.27Å; K253-T265 HydrophobicContact CG-CG2 4.18Å
254I95.3Very high93.2Very high0 Ų035.9 Ų35.90%019%0.187CC..EExtended strand (participates in β ladder)trans-116.1117.7-178.8-43.7-164.8000108.9L243 I244 I263 Y264 L266 F285 F301L243-I254 WeakPolarHBondContact O-CA 3.38Å; I244-I254 HydrophobicContact CD1-CD1 3.82Å; I244-I254 HydrophobicContact CD1-CG1 4.15Å; I244-I254 HydrophobicContact CG1-CB 4.33Å; I244-I254 HydrophobicContact CG1-CD1 4.08Å; I244-I254 HydrophobicContact CG1-CG1 3.88Å; I244-I254 HydrophobicContact CG1-CG2 4Å; I254-I263 PolarHBondContact O-N 3.21Å; I254-Y264 HydrophobicContact CB-CD2 4.3Å; I254-Y264 HydrophobicContact CD1-CD2 4.14Å; I254-Y264 HydrophobicContact CG1-CD2 4.49Å; I254-Y264 PolarHBondContact N-O 2.74Å; I254-Y264 PolarHBondContact O-N 2.9Å; I254-L266 HydrophobicContact CD1-CD1 4.02Å; I254-L266 HydrophobicContact CG1-CD1 4.47Å; I254-F285 HydrophobicContact CD1-CE1 4.36Å; I254-F285 HydrophobicContact CD1-CZ 4.23Å; I254-F301 HydrophobicContact CD1-CE2 4.22Å; I254-F301 HydrophobicContact CG2-CE2 3.89Å; I254-F301 HydrophobicContact CG2-CZ 3.77Å
255L94.1Very high93.1Very high2 Ų238.4 Ų38.41%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-107140.3-177.3-66.6161.4000110.4Y224 V226 Y242 L243 T245 R261 L262Y224-L255 HydrophobicContact CD1-CD1 4.4Å; Y224-L255 HydrophobicContact CD1-CD2 3.97Å; Y224-L255 HydrophobicContact CD2-CD1 4.22Å; Y224-L255 HydrophobicContact CE1-CD2 4.18Å; Y224-L255 HydrophobicContact CG-CD1 4.1Å; Y224-L255 HydrophobicContact CG-CD2 4.44Å; V226-L255 HydrophobicContact CG2-CD1 4.32Å; V226-L255 HydrophobicContact CG2-CD2 4.11Å; Y242-L255 WeakPolarHBondContact CA-O 3.4Å; L243-L255 HydrophobicContact CB-CB 4.36Å; L243-L255 PolarHBondContact N-O 3Å; L243-L255 PolarHBondContact O-N 2.54Å; T245-L255 HydrophobicContact CG2-CD1 3.89Å; L255-R261 WeakPolarHBondContact CA-O 3.4Å; L255-L262 HydrophobicContact CD2-CB 4.21Å; L255-L262 HydrophobicContact CD2-CD1 4.38Å
256D91.7Very high93Very high8 Ų839.2 Ų39.24%0.04321%0.207CC..EExtended strand (participates in β ladder)trans-86.8128.7160.8-177.317.1000109.9Y224 Y242 L258 E259 G260 R261 I263Y224-D256 PolarHBondContact OH-O 3.37Å; Y242-D256 HydrophobicContact CD1-CB 4.47Å; D256-L258 WeakPolarHBondContact OD1-CB 3.3Å; D256-L258 PolarHBondContact OD1-N 3.27Å; D256-E259 WeakPolarHBondContact OD2-CB 3.46Å; D256-E259 VanDerWaalsContact OD2-CG 3.31Å; D256-E259 WeakPolarHBondContact OD2-CG 3.15Å; D256-E259 PolarHBondContact OD2-N 3.4Å; D256-G260 CarbonylContact O-C 3.57Å; D256-G260 WeakPolarHBondContact O-CA 3.36Å; D256-G260 PolarHBondContact O-N 3.16Å; D256-G260 VanDerWaalsContact O-N 3.12Å; D256-R261 HydrophobicContact CB-CG 4.16Å; D256-R261 PolarHBondContact N-O 3.39Å; D256-R261 PolarHBondContact O-N 3.2Å; D256-I263 HydrophobicContact CB-CD1 4.11Å; D256-I263 HydrophobicContact CB-CG1 4.25Å
257L90.3Very high92.7Very high19 Ų1944.6 Ų44.610%0.09923%0.231CC..SBendtrans-89.8-14.3176.6-56.2175.8000112.5V212 Q222 Y224 F236 N241 L243V212-L257 HydrophobicContact CG2-CD2 4.27Å; Q222-L257 PolarHBondContact NE2-O 2.98Å; Y224-L257 HydrophobicContact CE2-CD2 4.16Å; F236-L257 HydrophobicContact CD1-CD1 3.82Å; F236-L257 HydrophobicContact CE1-CD1 3.53Å; N241-L257 VanDerWaalsContact O-CB 3.22Å; N241-L257 WeakPolarHBondContact O-CB 3.4Å; N241-L257 WeakPolarHBondContact O-CG 3.41Å; N241-L257 PolarHBondContact O-N 3Å; L243-L257 HydrophobicContact CB-CD1 4.22Å; L243-L257 HydrophobicContact CB-CD2 4.01Å; L243-L257 HydrophobicContact CB-CG 4.19Å; L243-L257 HydrophobicContact CD2-CD2 4.23Å
258L87.4Confident92.2Very high123 Ų12346.6 Ų46.664%0.64425%0.253SS*.SBendtrans-81.4-56.6175.7-60.9-178.7000111N241 D256N241-L258 HydrophobicContact CB-CD1 4.13Å; N241-L258 HydrophobicContact CB-CG 4.23Å; D256-L258 WeakPolarHBondContact OD1-CB 3.3Å; D256-L258 PolarHBondContact OD1-N 3.27Å
259E86.4Confident92.1Very high127 Ų12745.1 Ų45.159%0.59324%0.24SC*.SBendtrans-82.6-16.1176.1-63.9179.3-12400113.4D256 R261D256-E259 WeakPolarHBondContact OD2-CB 3.46Å; D256-E259 VanDerWaalsContact OD2-CG 3.31Å; D256-E259 WeakPolarHBondContact OD2-CG 3.15Å; D256-E259 PolarHBondContact OD2-N 3.4Å; E259-R261 HydrophobicContact CB-CG 4.06Å; E259-R261 VanDerWaalsContact CD-CZ 3.49Å; E259-R261 VanDerWaalsContact CD-NE 3.29Å; E259-R261 IonicContact OE1-CZ 2.98Å; E259-R261 IonicContact OE1-NE 2.91Å; E259-R261 PolarHBondContact OE1-NE 3.49Å; E259-R261 IonicContact OE1-NH2 2.69Å; E259-R261 PolarHBondContact OE1-NH2 3.31Å; E259-R261 IonicContact OE2-CZ 3.3Å; E259-R261 IonicContact OE2-NE 2.65Å; E259-R261 PolarHBondContact OE2-NE 2.77Å; E259-R261 IonicContact OE2-NH1 3.74Å; E259-R261 IonicContact OE2-NH2 3.07Å; E259-R261 PolarHBondContact OE2-NH2 3.05Å; E259-R261 VanDerWaalsContact OE2-NH2 3.07Å
260G87.3Confident91.9Very high34 Ų3448.5 Ų48.535%0.35126%0.263SS..  trans75.228.8-179.900000114.2Y224 D256Y224-G260 WeakPolarHBondContact CE1-O 3.37Å; D256-G260 CarbonylContact O-C 3.57Å; D256-G260 WeakPolarHBondContact O-CA 3.36Å; D256-G260 PolarHBondContact O-N 3.16Å; D256-G260 VanDerWaalsContact O-N 3.12Å
261R88.8Confident91.9Very high134 Ų13449.2 Ų49.251%0.50627%0.27SS..  trans-117.6155.6-173.567178.9172.5166.6-13.7114.2L255 D256 E259L255-R261 WeakPolarHBondContact CA-O 3.4Å; D256-R261 HydrophobicContact CB-CG 4.16Å; D256-R261 PolarHBondContact N-O 3.39Å; D256-R261 PolarHBondContact O-N 3.2Å; E259-R261 HydrophobicContact CB-CG 4.06Å; E259-R261 VanDerWaalsContact CD-CZ 3.49Å; E259-R261 VanDerWaalsContact CD-NE 3.29Å; E259-R261 IonicContact OE1-CZ 2.98Å; E259-R261 IonicContact OE1-NE 2.91Å; E259-R261 PolarHBondContact OE1-NE 3.49Å; E259-R261 IonicContact OE1-NH2 2.69Å; E259-R261 PolarHBondContact OE1-NH2 3.31Å; E259-R261 IonicContact OE2-CZ 3.3Å; E259-R261 IonicContact OE2-NE 2.65Å; E259-R261 PolarHBondContact OE2-NE 2.77Å; E259-R261 IonicContact OE2-NH1 3.74Å; E259-R261 IonicContact OE2-NH2 3.07Å; E259-R261 PolarHBondContact OE2-NH2 3.05Å; E259-R261 VanDerWaalsContact OE2-NH2 3.07Å
262L92.6Very high91.9Very high59 Ų5950.7 Ų50.731%0.30928%0.279SS..EExtended strand (participates in β ladder)trans-75.7123.1164.3176.363.2000109.4V226 K253 L255 Y264V226-L262 HydrophobicContact CG1-CB 4.4Å; V226-L262 HydrophobicContact CG1-CD1 4.05Å; V226-L262 HydrophobicContact CG1-CD2 3.79Å; V226-L262 HydrophobicContact CG1-CG 4.31Å; K253-L262 HydrophobicContact CB-CD1 3.79Å; K253-L262 HydrophobicContact CD-CD1 4.15Å; K253-L262 HydrophobicContact CD-CD2 4.42Å; K253-L262 HydrophobicContact CG-CD1 4.22Å; L255-L262 HydrophobicContact CD2-CB 4.21Å; L255-L262 HydrophobicContact CD2-CD1 4.38Å; L262-Y264 VanDerWaalsContact CD1-O 3.26Å; L262-Y264 WeakPolarHBondContact CD1-O 3.4Å
263I90.5Very high91.9Very high51 Ų5150.5 Ų50.526%0.26228%0.279SS..EExtended strand (participates in β ladder)trans-91-58.1172.1-48.5169000109.4Y242 I254 D256 F301Y242-I263 HydrophobicContact CD1-CD1 3.98Å; Y242-I263 HydrophobicContact CE1-CD1 4.08Å; I254-I263 PolarHBondContact O-N 3.21Å; D256-I263 HydrophobicContact CB-CD1 4.11Å; D256-I263 HydrophobicContact CB-CG1 4.25Å; I263-F301 HydrophobicContact CD1-CE1 4.06Å; I263-F301 HydrophobicContact CD1-CZ 4.29Å
264Y92.4Very high92Very high40 Ų4051.7 Ų51.716%0.15728%0.284CS..EExtended strand (participates in β ladder)trans-126.5139.9-171.1-63.3-67.1000112.5D7 P8 K253 I254 L262 N300 F301D7-Y264 HydrophobicContact CB-CE1 4.31Å; D7-Y264 WeakPolarHBondContact OD1-CE1 3.49Å; D7-Y264 VanDerWaalsContact OD1-CZ 3.27Å; D7-Y264 PolarHBondContact OD1-OH 3.27Å; P8-Y264 HydrophobicContact CG-CD1 4.28Å; P8-Y264 HydrophobicContact CG-CD2 3.84Å; P8-Y264 HydrophobicContact CG-CE1 4.31Å; P8-Y264 HydrophobicContact CG-CE2 3.87Å; P8-Y264 HydrophobicContact CG-CG 4.05Å; K253-Y264 WeakPolarHBondContact CA-O 3.4Å; I254-Y264 HydrophobicContact CB-CD2 4.3Å; I254-Y264 HydrophobicContact CD1-CD2 4.14Å; I254-Y264 HydrophobicContact CG1-CD2 4.49Å; I254-Y264 PolarHBondContact N-O 2.74Å; I254-Y264 PolarHBondContact O-N 2.9Å; L262-Y264 VanDerWaalsContact CD1-O 3.26Å; L262-Y264 WeakPolarHBondContact CD1-O 3.4Å; Y264-N300 PolarHBondContact OH-ND2 3.44Å; Y264-F301 HydrophobicContact CD2-CZ 4.27Å; Y264-F301 HydrophobicContact CE2-CZ 4.09Å
265T94.6Very high92Very high54 Ų5452 Ų5233%0.33129%0.285SS..EExtended strand (participates in β ladder)trans-113.1117.5158.4-65.10000107.9T251 K253T251-T265 HydrophobicContact CG2-CG2 4.17Å; K253-T265 HydrophobicContact CD-CG2 4.42Å; K253-T265 WeakPolarHBondContact CE-OG1 3.27Å; K253-T265 HydrophobicContact CG-CG2 4.18Å
266L93.6Very high92.2Very high17 Ų1752 Ų529%0.08929%0.286CS..EExtended strand (participates in β ladder)trans-107135.1-178.9-50.4175.3000109.6P8 L252 I254 F285 W297P8-L266 HydrophobicContact CG-CD1 4.43Å; P8-L266 HydrophobicContact CG-CD2 4.14Å; L252-L266 HydrophobicContact CB-CB 4.25Å; L252-L266 PolarHBondContact N-O 2.8Å; L252-L266 PolarHBondContact O-N 2.9Å; I254-L266 HydrophobicContact CD1-CD1 4.02Å; I254-L266 HydrophobicContact CG1-CD1 4.47Å; L266-F285 HydrophobicContact CD1-CE2 4.06Å; L266-F285 HydrophobicContact CD1-CZ 3.53Å; L266-W297 HydrophobicContact CB-CH2 4.33Å; L266-W297 HydrophobicContact CD1-CE3 4.35Å; L266-W297 HydrophobicContact CD1-CZ3 4.44Å
267Q91.8Very high92.4Very high112 Ų11252.2 Ų52.252%0.52329%0.288SS..  trans-118156.9174.9-54.8-165.436.800109.6T251T251-Q267 HydrophobicContact CG2-CG 4.28Å
268G86.8Confident92.6Very high43 Ų4351.4 Ų51.444%0.44328%0.284SS..  trans156-21.3179.900000114.8
269H93.4Very high92.9Very high17 Ų1745.8 Ų45.88%0.07926%0.255CS..  trans-82.1132.1168.3-78.4-67.8000110.7G271 V273 S287 D291 Q293H269-G271 PolarHBondContact O-N 3.2Å; H269-V273 HydrophobicContact CB-CG2 3.9Å; H269-S287 WeakPolarHBondContact NE2-CB 3.26Å; H269-S287 PolarHBondContact NE2-OG 2.86Å; H269-D291 WeakPolarHBondContact CA-OD2 3.36Å; H269-D291 IonicContact CE1-OD1 2.77Å; H269-D291 IonicContact CG-OD2 3.87Å; H269-D291 IonicContact ND1-OD1 3.71Å; H269-D291 PolarHBondContact ND1-OD1 3.4Å; H269-D291 VanDerWaalsContact ND1-OD1 3.09Å; H269-D291 IonicContact ND1-OD2 3.67Å; H269-D291 PolarHBondContact ND1-OD2 2.89Å; H269-Q293 PolarHBondContact CE1-O 3.17Å
270T91.4Very high93Very high116 Ų11642.7 Ų42.771%0.71224%0.239SC*.SBendtrans-87.256.6178.462.60000111.1D291T270-D291 PolarHBondContact N-OD2 2.66Å; T270-D291 VanDerWaalsContact OG1-CB 3.3Å; T270-D291 WeakPolarHBondContact OG1-CB 3.33Å
271G93.3Very high92.9Very high24 Ų2441.4 Ų41.425%0.24723%0.226CC..SBendtrans142.8-175.9-178.300000113.5G250 H269 V273G250-G271 VanDerWaalsContact CA-O 3.3Å; G250-G271 WeakPolarHBondContact CA-O 3.45Å; H269-G271 PolarHBondContact O-N 3.2Å; G271-V273 PolarHBondContact O-N 2.86Å
272P96.2Very high92.8Very high48 Ų4835 Ų3531%0.31220%0.202SC..  trans-48.6130.6-175.9-31.636.3000114.4F274 G289 A290P272-F274 HydrophobicContact CB-CE1 4.35Å; P272-F274 HydrophobicContact CB-CZ 4.12Å; P272-G289 CarbonylContact O-C 3.51Å; P272-G289 WeakPolarHBondContact O-CA 3.45Å; P272-A290 HydrophobicContact CB-CB 4.38Å; P272-A290 PolarHBondContact O-N 2.92Å
273V97.2Very high92.6Very high0 Ų036.5 Ų36.50%021%0.207CC..EExtended strand (participates in β ladder)trans-92.8123.9171.7-162.20000108.9N232 A246 S247 G250 L252 H269 G271 G288N232-V273 PolarHBondContact ND2-O 2.77Å; A246-V273 HydrophobicContact CB-CB 4.15Å; A246-V273 HydrophobicContact CB-CG1 3.92Å; S247-V273 CarbonylContact C-O 3.58Å; S247-V273 PolarHBondContact O-N 2.63Å; G250-V273 WeakPolarHBondContact O-CG2 3.23Å; L252-V273 HydrophobicContact CD2-CG1 3.91Å; H269-V273 HydrophobicContact CB-CG2 3.9Å; G271-V273 PolarHBondContact O-N 2.86Å; V273-G288 WeakPolarHBondContact CG1-O 3.45Å
274F96.5Very high92.8Very high58 Ų5835 Ų3525%0.25420%0.2SC..EExtended strand (participates in β ladder)trans-98.2-27.8-176.7-67.7-61.5000113A20 I21 C233 P272 G288 A290A20-F274 HydrophobicContact CB-CD2 4.18Å; A20-F274 HydrophobicContact CB-CE2 3.8Å; I21-F274 WeakPolarHBondContact O-CB 3.5Å; C233-F274 WeakPolarHBondContact CB-O 3.25Å; P272-F274 HydrophobicContact CB-CE1 4.35Å; P272-F274 HydrophobicContact CB-CZ 4.12Å; F274-G288 PolarHBondContact N-O 3.47Å; F274-A290 HydrophobicContact CE2-CB 3.83Å; F274-A290 HydrophobicContact CZ-CB 4.47Å
275T96.6Very high92.9Very high5 Ų533.1 Ų33.13%0.03119%0.192CC..EExtended strand (participates in β ladder)trans-145.6144.8-172.8-178.40000112.6I21 T22 S23 L24 S287 G288I21-T275 HydrophobicContact CG2-CG2 4.15Å; T22-T275 WeakPolarHBondContact O-CB 3.49Å; S23-T275 WeakPolarHBondContact CA-OG1 3.23Å; L24-T275 HydrophobicContact CD2-CG2 3.75Å; L24-T275 HydrophobicContact CG-CG2 4.06Å; L24-T275 PolarHBondContact N-OG1 3.05Å; T275-S287 WeakPolarHBondContact O-CA 3.38Å; T275-G288 PolarHBondContact N-O 2.77Å; T275-G288 VanDerWaalsContact N-O 3.16Å; T275-G288 PolarHBondContact O-N 2.98Å
276V97.2Very high93Very high3 Ų330.5 Ų30.52%0.01818%0.176CC..EExtended strand (participates in β ladder)trans-145.1147.4171.165.30000109.3I244 A246 L252 F285 A286I244-V276 HydrophobicContact CB-CG2 4.3Å; I244-V276 HydrophobicContact CG2-CB 4.45Å; I244-V276 HydrophobicContact CG2-CG1 4.13Å; I244-V276 HydrophobicContact CG2-CG2 3.64Å; A246-V276 HydrophobicContact CB-CB 3.98Å; A246-V276 HydrophobicContact CB-CG1 3.71Å; L252-V276 HydrophobicContact CD2-CB 4.13Å; L252-V276 HydrophobicContact CD2-CG2 4.12Å; V276-F285 HydrophobicContact CG2-CD2 4.27Å; V276-A286 WeakPolarHBondContact CA-O 3.49Å; V276-A286 WeakPolarHBondContact CG2-O 3.4Å
277S96.4Very high93.1Very high12 Ų1229.7 Ų29.78%0.08417%0.172CC..EExtended strand (participates in β ladder)trans-151141.5173.7-157.80000111.1L24 F26 F285 A286L24-S277 VanDerWaalsContact CD1-CB 3.43Å; F26-S277 WeakPolarHBondContact CE2-O 3.46Å; S277-F285 VanDerWaalsContact O-CA 3.32Å; S277-F285 WeakPolarHBondContact O-CA 3.36Å; S277-F285 WeakPolarHBondContact O-CB 3.3Å; S277-A286 PolarHBondContact N-O 3.02Å; S277-A286 PolarHBondContact O-N 2.58Å
278F95.3Very high93.4Very high3 Ų324.4 Ų24.41%0.01315%0.147CC..EExtended strand (participates in β ladder)trans-76.5149.5164.7-78.2-78.9000111.7S235 F236 H237 I244 F285 T299S235-F278 WeakPolarHBondContact O-CE2 3.49Å; S235-F278 PolarHBondContact OG-N 3.02Å; F236-F278 WeakPolarHBondContact O-CD2 3.35Å; H237-F278 VanDerWaalsContact CA-CE2 3.49Å; H237-F278 HydrophobicContact CB-CD2 4.16Å; H237-F278 HydrophobicContact CB-CE1 4.16Å; H237-F278 HydrophobicContact CB-CE2 3.68Å; H237-F278 HydrophobicContact CB-CZ 3.65Å; H237-F278 AromaticContact CD2-CD1 3.7Å; H237-F278 AromaticContact CD2-CE1 3.49Å; H237-F278 VanDerWaalsContact CD2-CE1 3.49Å; H237-F278 WeakPolarHBondContact CD2-CE1 3.49Å; H237-F278 AromaticContact CD2-CZ 3.9Å; H237-F278 VanDerWaalsContact N-CE2 3.25Å; I244-F278 HydrophobicContact CB-CE2 4.13Å; I244-F278 HydrophobicContact CB-CZ 4.45Å; I244-F278 HydrophobicContact CD1-CD1 4.29Å; I244-F278 HydrophobicContact CD1-CD2 4.39Å; I244-F278 HydrophobicContact CD1-CE1 3.54Å; I244-F278 HydrophobicContact CD1-CE2 3.69Å; I244-F278 HydrophobicContact CD1-CZ 3.22Å; I244-F278 HydrophobicContact CG1-CD2 4.48Å; I244-F278 HydrophobicContact CG1-CE1 4.21Å; I244-F278 HydrophobicContact CG1-CE2 3.51Å; I244-F278 HydrophobicContact CG1-CZ 3.37Å; F278-F285 HydrophobicContact CD1-CB 3.9Å; F278-F285 HydrophobicContact CE1-CB 4.36Å; F278-F285 HydrophobicContact CG-CB 4.39Å; F278-T299 HydrophobicContact CD1-CG2 4.11Å; F278-T299 HydrophobicContact CE1-CG2 3.76Å
279S93.8Very high93.7Very high5 Ų522.3 Ų22.34%0.03513%0.126CC..  trans-61.8150.2161.3101.70000109.5P238 G281 G282 L284P238-S279 WeakPolarHBondContact CG-O 3.25Å; S279-G281 PolarHBondContact O-N 3.35Å; S279-G281 PolarHBondContact OG-N 3.04Å; S279-G282 PolarHBondContact O-N 3.36Å; S279-G282 VanDerWaalsContact O-N 3.12Å; S279-G282 PolarHBondContact OG-N 3.43Å; S279-L284 WeakPolarHBondContact CB-O 3.38Å; S279-L284 PolarHBondContact N-O 3.2Å
280K87.6Confident93.8Very high62 Ų6223.4 Ų23.427%0.2714%0.138SC..THydrogen-bonded Turntrans-71.3-0.7-178.3-43-53.7177.9-161.80113.5D25 Y306D25-K280 WeakPolarHBondContact OD1-CE 3.47Å; D25-K280 IonicContact OD1-NZ 2.67Å; D25-K280 PolarHBondContact OD1-NZ 3.25Å; K280-Y306 HydrophobicContact CB-CD2 3.35Å; K280-Y306 HydrophobicContact CB-CE2 3.61Å; K280-Y306 HydrophobicContact CB-CG 4.08Å; K280-Y306 HydrophobicContact CG-CD2 4.39Å; K280-Y306 HydrophobicContact CG-CE2 4.21Å; K280-Y306 WeakPolarHBondContact O-CD2 3.31Å
281G84.9Confident93.9Very high7 Ų718.9 Ų18.97%0.07211%0.11CC..THydrogen-bonded Turntrans-107.5-4.8172.900000115S279 E283 L304S279-G281 PolarHBondContact O-N 3.35Å; S279-G281 PolarHBondContact OG-N 3.04Å; G281-E283 VanDerWaalsContact C-N 3.31Å; G281-E283 PolarHBondContact O-N 3.26Å; G281-L304 VanDerWaalsContact CA-O 3.29Å; G281-L304 WeakPolarHBondContact CA-O 3.4Å; G281-L304 PolarHBondContact O-N 2.92Å
282G87.6Confident93.9Very high0 Ų019.8 Ų19.80%011%0.11CC..SBendtrans92.4-53.7-175.900000112.6H237 S279 L284 T299H237-G282 WeakPolarHBondContact NE2-CA 3.26Å; S279-G282 PolarHBondContact O-N 3.36Å; S279-G282 VanDerWaalsContact O-N 3.12Å; S279-G282 PolarHBondContact OG-N 3.43Å; G282-L284 PolarHBondContact O-N 3.13Å; G282-T299 WeakPolarHBondContact O-CG2 3.31Å; G282-T299 PolarHBondContact O-OG1 3.35Å; G282-T299 VanDerWaalsContact O-OG1 3.11Å
283E88.6Confident93.8Very high89 Ų8918.7 Ų18.742%0.41610%0.101SC..SBendtrans-27.5-33.8-176.6-62.2161-136.600118.9G281 T299 E303G281-E283 VanDerWaalsContact C-N 3.31Å; G281-E283 PolarHBondContact O-N 3.26Å; E283-T299 VanDerWaalsContact CA-OG1 3.32Å; E283-T299 WeakPolarHBondContact CA-OG1 3.42Å; E283-T299 PolarHBondContact O-N 3.36Å; E283-T299 PolarHBondContact O-OG1 3.38Å; E283-T299 VanDerWaalsContact O-OG1 3.11Å; E283-E303 HydrophobicContact CG-CB 4.38Å; E283-E303 HydrophobicContact CG-CG 3.92Å
284L92.8Very high93.8Very high20 Ų2018.8 Ų18.811%0.10510%0.101CC..EExtended strand (participates in β ladder)trans-141.3154.2-173.1-59.5170.7000109.8F26 F47 S279 G282 L296 W297 R298F26-L284 HydrophobicContact CE1-CB 4.18Å; F26-L284 HydrophobicContact CE1-CD1 4.45Å; F26-L284 HydrophobicContact CZ-CB 4.27Å; F47-L284 HydrophobicContact CE2-CD1 4.32Å; S279-L284 WeakPolarHBondContact CB-O 3.38Å; S279-L284 PolarHBondContact N-O 3.2Å; G282-L284 PolarHBondContact O-N 3.13Å; L284-L296 HydrophobicContact CB-CD1 4.3Å; L284-L296 HydrophobicContact CD1-CD1 4.36Å; L284-W297 CarbonylContact C-O 3.57Å; L284-W297 VanDerWaalsContact CA-O 3.25Å; L284-W297 WeakPolarHBondContact CA-O 3.34Å; L284-R298 HydrophobicContact CD2-CB 4.2Å; L284-R298 HydrophobicContact CD2-CG 4.29Å
285F95.3Very high93.7Very high0 Ų016.3 Ų16.30%09%0.091CC..EExtended strand (participates in β ladder)trans-134.4159.9159.965.5-81.9000110.3P8 I244 L252 I254 L266 V276 S277 F278 W297 T299P8-F285 HydrophobicContact CB-CE1 4.25Å; I244-F285 HydrophobicContact CD1-CB 4.11Å; I244-F285 HydrophobicContact CD1-CD1 3.85Å; I244-F285 HydrophobicContact CD1-CD2 3.75Å; I244-F285 HydrophobicContact CD1-CE1 4.17Å; I244-F285 HydrophobicContact CD1-CE2 4.09Å; I244-F285 HydrophobicContact CD1-CG 3.63Å; I244-F285 HydrophobicContact CD1-CZ 4.28Å; L252-F285 HydrophobicContact CD1-CE2 4.16Å; I254-F285 HydrophobicContact CD1-CE1 4.36Å; I254-F285 HydrophobicContact CD1-CZ 4.23Å; L266-F285 HydrophobicContact CD1-CE2 4.06Å; L266-F285 HydrophobicContact CD1-CZ 3.53Å; V276-F285 HydrophobicContact CG2-CD2 4.27Å; S277-F285 VanDerWaalsContact O-CA 3.32Å; S277-F285 WeakPolarHBondContact O-CA 3.36Å; S277-F285 WeakPolarHBondContact O-CB 3.3Å; F278-F285 HydrophobicContact CD1-CB 3.9Å; F278-F285 HydrophobicContact CE1-CB 4.36Å; F278-F285 HydrophobicContact CG-CB 4.39Å; F285-W297 HydrophobicContact CD1-CB 3.83Å; F285-W297 HydrophobicContact CD2-CB 4.03Å; F285-W297 AromaticContact CD2-CD1 3.77Å; F285-W297 HydrophobicContact CD2-CG 4.07Å; F285-W297 HydrophobicContact CE1-CB 3.39Å; F285-W297 HydrophobicContact CE1-CG 4.13Å; F285-W297 HydrophobicContact CE2-CB 3.6Å; F285-W297 AromaticContact CE2-CD1 3.37Å; F285-W297 HydrophobicContact CE2-CD2 4.08Å; F285-W297 AromaticContact CE2-CG 3.43Å; F285-W297 HydrophobicContact CE2-CG 3.43Å; F285-W297 VanDerWaalsContact CE2-CG 3.43Å; F285-W297 AromaticContact CE2-NE1 3.96Å; F285-W297 HydrophobicContact CG-CB 4.13Å; F285-W297 HydrophobicContact CZ-CB 3.26Å; F285-W297 AromaticContact CZ-CD1 3.92Å; F285-W297 AromaticContact CZ-CD2 3.98Å; F285-W297 HydrophobicContact CZ-CD2 3.98Å; F285-W297 HydrophobicContact CZ-CE3 4.48Å; F285-W297 AromaticContact CZ-CG 3.46Å; F285-W297 HydrophobicContact CZ-CG 3.46Å; F285-W297 VanDerWaalsContact CZ-CG 3.46Å; F285-W297 PolarHBondContact N-O 3.3Å; F285-W297 PolarHBondContact O-N 2.95Å; F285-T299 HydrophobicContact CD1-CG2 3.67Å; F285-T299 HydrophobicContact CE1-CG2 4.24Å
286A96.4Very high93.6Very high0 Ų016.1 Ų16.10%09%0.089CC..EExtended strand (participates in β ladder)trans-134149.4175.900000111.1L24 F26 L33 V276 S277 V294 L295 L296L24-A286 HydrophobicContact CD1-CB 3.99Å; L24-A286 WeakPolarHBondContact CD1-O 3.3Å; L24-A286 HydrophobicContact CD2-CB 4.34Å; F26-A286 HydrophobicContact CE2-CB 3.67Å; F26-A286 HydrophobicContact CZ-CB 3.64Å; L33-A286 HydrophobicContact CD1-CB 4.17Å; L33-A286 HydrophobicContact CD2-CB 3.94Å; V276-A286 WeakPolarHBondContact CA-O 3.49Å; V276-A286 WeakPolarHBondContact CG2-O 3.4Å; S277-A286 PolarHBondContact N-O 3.02Å; S277-A286 PolarHBondContact O-N 2.58Å; A286-V294 HydrophobicContact CB-CG1 4.47Å; A286-L295 CarbonylContact C-O 3.56Å; A286-L295 WeakPolarHBondContact CA-O 3.25Å; A286-L295 WeakPolarHBondContact CB-O 3.22Å; A286-L296 HydrophobicContact CB-CD1 4.11Å
287S96.9Very high93.5Very high0 Ų016.4 Ų16.40%09%0.09CC..EExtended strand (participates in β ladder)trans-129.5151.9-179.359.60000111.4L24 H269 T275 V294 L295 W297L24-S287 VanDerWaalsContact CD2-C 3.49Å; H269-S287 WeakPolarHBondContact NE2-CB 3.26Å; H269-S287 PolarHBondContact NE2-OG 2.86Å; T275-S287 WeakPolarHBondContact O-CA 3.38Å; S287-V294 WeakPolarHBondContact O-CA 3.36Å; S287-L295 PolarHBondContact N-O 2.85Å; S287-L295 PolarHBondContact O-N 3.01Å; S287-W297 PolarHBondContact OG-NE1 3.21Å
288G96.3Very high93.2Very high0 Ų021.4 Ų21.40%011%0.107CC..EExtended strand (participates in β ladder)trans-144135.4179.200000111.9V273 F274 T275V273-G288 WeakPolarHBondContact CG1-O 3.45Å; F274-G288 PolarHBondContact N-O 3.47Å; T275-G288 PolarHBondContact N-O 2.77Å; T275-G288 VanDerWaalsContact N-O 3.16Å; T275-G288 PolarHBondContact O-N 2.98Å
289G94.6Very high92.8Very high0 Ų021.9 Ų21.90%011%0.111CC..EExtended strand (participates in β ladder)trans-133.3-170.2-172.600000115.2I21 P272 D291I21-G289 PolarHBondContact N-O 2.74Å; P272-G289 CarbonylContact O-C 3.51Å; P272-G289 WeakPolarHBondContact O-CA 3.45Å; G289-D291 PolarHBondContact O-N 3.46Å
290A95.4Very high92.3Very high40 Ų4023 Ų2333%0.33112%0.116SC..THydrogen-bonded Turntrans-65.2-24.4175.200000113.1P272 F274 T292P272-A290 HydrophobicContact CB-CB 4.38Å; P272-A290 PolarHBondContact O-N 2.92Å; F274-A290 HydrophobicContact CE2-CB 3.83Å; F274-A290 HydrophobicContact CZ-CB 4.47Å; A290-T292 PolarHBondContact O-N 2.96Å; A290-T292 VanDerWaalsContact O-N 3.16Å
291D93.4Very high91.9Very high21 Ų2121.1 Ų21.111%0.11211%0.108CC..THydrogen-bonded Turntrans-73.23.4-177.868.4-11.1000114.9H269 T270 G289 Q293H269-D291 WeakPolarHBondContact CA-OD2 3.36Å; H269-D291 IonicContact CE1-OD1 2.77Å; H269-D291 IonicContact CG-OD2 3.87Å; H269-D291 IonicContact ND1-OD1 3.71Å; H269-D291 PolarHBondContact ND1-OD1 3.4Å; H269-D291 VanDerWaalsContact ND1-OD1 3.09Å; H269-D291 IonicContact ND1-OD2 3.67Å; H269-D291 PolarHBondContact ND1-OD2 2.89Å; T270-D291 PolarHBondContact N-OD2 2.66Å; T270-D291 VanDerWaalsContact OG1-CB 3.3Å; T270-D291 WeakPolarHBondContact OG1-CB 3.33Å; G289-D291 PolarHBondContact O-N 3.46Å; D291-Q293 HydrophobicContact CB-CG 4.32Å; D291-Q293 PolarHBondContact O-N 2.88Å; D291-Q293 PolarHBondContact OD1-N 2.82Å; D291-Q293 PolarHBondContact OD2-NE2 2.94Å
292T94.1Very high91.1Very high42 Ų4225 Ų2526%0.25813%0.127SC..SBendtrans65.36.4-176.277.60000115.1A290A290-T292 PolarHBondContact O-N 2.96Å; A290-T292 VanDerWaalsContact O-N 3.16Å
293Q93.4Very high90.1Very high26 Ų2630.9 Ų30.912%0.12115%0.154CC..PPolyproline II helixtrans-92.4141.8-178.4-53.5-168.990.400110.8K15 I21 H269 D291 L295K15-Q293 VanDerWaalsContact CE-CD 3.44Å; K15-Q293 HydrophobicContact CG-CG 4.42Å; I21-Q293 WeakPolarHBondContact CD1-O 3.24Å; H269-Q293 PolarHBondContact CE1-O 3.17Å; D291-Q293 HydrophobicContact CB-CG 4.32Å; D291-Q293 PolarHBondContact O-N 2.88Å; D291-Q293 PolarHBondContact OD1-N 2.82Å; D291-Q293 PolarHBondContact OD2-NE2 2.94Å; Q293-L295 HydrophobicContact CB-CD2 4.46Å
294V95.8Very high88.9Confident1 Ų128.5 Ų28.51%0.00614%0.144CC..EExtended strand (participates in β ladder)trans-102.4124.2159.8-170.70000106.9Y13 F14 I21 L33 T35 A286 S287Y13-V294 CarbonylContact C-O 3.55Å; Y13-V294 VanDerWaalsContact CA-O 3.27Å; Y13-V294 WeakPolarHBondContact CA-O 3.4Å; F14-V294 HydrophobicContact CB-CB 4.09Å; F14-V294 HydrophobicContact CB-CG2 4.41Å; F14-V294 HydrophobicContact CD2-CB 4.06Å; F14-V294 HydrophobicContact CD2-CG1 4.13Å; F14-V294 PolarHBondContact N-O 2.97Å; F14-V294 PolarHBondContact O-N 2.98Å; I21-V294 HydrophobicContact CD1-CB 4.4Å; I21-V294 HydrophobicContact CD1-CG2 3.33Å; L33-V294 HydrophobicContact CD2-CG1 3.7Å; T35-V294 HydrophobicContact CG2-CG1 4.32Å; T35-V294 HydrophobicContact CG2-CG2 3.84Å; A286-V294 HydrophobicContact CB-CG1 4.47Å; S287-V294 WeakPolarHBondContact O-CA 3.36Å
295L95.6Very high87.6Confident6 Ų632.4 Ų32.43%0.03117%0.171CC..EExtended strand (participates in β ladder)trans-102.9133.6172.1-57.8-178.6000108.8L10 A286 S287 Q293 W297L10-L295 HydrophobicContact CD1-CB 3.74Å; L10-L295 HydrophobicContact CD1-CD2 4.09Å; L10-L295 HydrophobicContact CD1-CG 4.34Å; A286-L295 CarbonylContact C-O 3.56Å; A286-L295 WeakPolarHBondContact CA-O 3.25Å; A286-L295 WeakPolarHBondContact CB-O 3.22Å; S287-L295 PolarHBondContact N-O 2.85Å; S287-L295 PolarHBondContact O-N 3.01Å; Q293-L295 HydrophobicContact CB-CD2 4.46Å; L295-W297 HydrophobicContact CB-CZ2 4.31Å; L295-W297 HydrophobicContact CD1-CZ2 3.78Å
296L95.1Very high85.8Confident1 Ų135 Ų351%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-115.2119177.3179.670000108.9E11 R12 F14 F26 F47 L284 A286E11-L296 PolarHBondContact N-O 3.38Å; R12-L296 HydrophobicContact CB-CB 4.44Å; R12-L296 PolarHBondContact N-O 3.02Å; R12-L296 PolarHBondContact O-N 2.83Å; F14-L296 HydrophobicContact CE2-CB 4.02Å; F14-L296 HydrophobicContact CE2-CD2 4.15Å; F14-L296 HydrophobicContact CZ-CD2 4.26Å; F26-L296 HydrophobicContact CE1-CD1 3.91Å; F26-L296 HydrophobicContact CZ-CD1 3.7Å; F47-L296 HydrophobicContact CD1-CD2 4.1Å; F47-L296 HydrophobicContact CE1-CD1 4.4Å; F47-L296 HydrophobicContact CE1-CD2 3.79Å; F47-L296 HydrophobicContact CZ-CD1 4.11Å; F47-L296 HydrophobicContact CZ-CD2 4.16Å; L284-L296 HydrophobicContact CB-CD1 4.3Å; L284-L296 HydrophobicContact CD1-CD1 4.36Å; A286-L296 HydrophobicContact CB-CD1 4.11Å
297W93.8Very high84.2Confident9 Ų943.4 Ų43.43%0.03422%0.217CC..EExtended strand (participates in β ladder)trans-116.8145.9-172.7-53.683.7000110.1V9 L10 L266 L284 F285 S287 L295V9-W297 CarbonylContact O-C 3.56Å; V9-W297 WeakPolarHBondContact O-CA 3.31Å; L10-W297 HydrophobicContact CB-CD2 4.37Å; L10-W297 HydrophobicContact CB-CE3 3.87Å; L10-W297 HydrophobicContact CB-CH2 4.44Å; L10-W297 HydrophobicContact CB-CZ3 3.91Å; L10-W297 HydrophobicContact CD1-CD2 4Å; L10-W297 HydrophobicContact CD1-CE3 4.34Å; L10-W297 HydrophobicContact CD1-CG 4.42Å; L10-W297 HydrophobicContact CD1-CZ2 4.25Å; L266-W297 HydrophobicContact CB-CH2 4.33Å; L266-W297 HydrophobicContact CD1-CE3 4.35Å; L266-W297 HydrophobicContact CD1-CZ3 4.44Å; L284-W297 CarbonylContact C-O 3.57Å; L284-W297 VanDerWaalsContact CA-O 3.25Å; L284-W297 WeakPolarHBondContact CA-O 3.34Å; F285-W297 HydrophobicContact CD1-CB 3.83Å; F285-W297 HydrophobicContact CD2-CB 4.03Å; F285-W297 AromaticContact CD2-CD1 3.77Å; F285-W297 HydrophobicContact CD2-CG 4.07Å; F285-W297 HydrophobicContact CE1-CB 3.39Å; F285-W297 HydrophobicContact CE1-CG 4.13Å; F285-W297 HydrophobicContact CE2-CB 3.6Å; F285-W297 AromaticContact CE2-CD1 3.37Å; F285-W297 HydrophobicContact CE2-CD2 4.08Å; F285-W297 AromaticContact CE2-CG 3.43Å; F285-W297 HydrophobicContact CE2-CG 3.43Å; F285-W297 VanDerWaalsContact CE2-CG 3.43Å; F285-W297 AromaticContact CE2-NE1 3.96Å; F285-W297 HydrophobicContact CG-CB 4.13Å; F285-W297 HydrophobicContact CZ-CB 3.26Å; F285-W297 AromaticContact CZ-CD1 3.92Å; F285-W297 AromaticContact CZ-CD2 3.98Å; F285-W297 HydrophobicContact CZ-CD2 3.98Å; F285-W297 HydrophobicContact CZ-CE3 4.48Å; F285-W297 AromaticContact CZ-CG 3.46Å; F285-W297 HydrophobicContact CZ-CG 3.46Å; F285-W297 VanDerWaalsContact CZ-CG 3.46Å; F285-W297 PolarHBondContact N-O 3.3Å; F285-W297 PolarHBondContact O-N 2.95Å; S287-W297 PolarHBondContact OG-NE1 3.21Å; L295-W297 HydrophobicContact CB-CZ2 4.31Å; L295-W297 HydrophobicContact CD1-CZ2 3.78Å
298R91.6Very high82.5Confident118 Ų11844.9 Ų44.945%0.44523%0.233SC..EExtended strand (participates in β ladder)trans-90.9137.5169.9-167.6172.1-179.2-153.4-3.4110.2P8 V9 E11 L284P8-R298 VanDerWaalsContact CA-O 3.29Å; P8-R298 WeakPolarHBondContact CA-O 3.34Å; P8-R298 WeakPolarHBondContact CB-O 3.18Å; V9-R298 PolarHBondContact O-N 2.97Å; E11-R298 HydrophobicContact CG-CB 3.92Å; L284-R298 HydrophobicContact CD2-CB 4.2Å; L284-R298 HydrophobicContact CD2-CG 4.29Å
299T86.4Confident80.8Confident13 Ų1345.8 Ų45.88%0.0824%0.238CC..  trans-86.2159.5173.156.90000111.7F278 G282 E283 F285 F301F278-T299 HydrophobicContact CD1-CG2 4.11Å; F278-T299 HydrophobicContact CE1-CG2 3.76Å; G282-T299 WeakPolarHBondContact O-CG2 3.31Å; G282-T299 PolarHBondContact O-OG1 3.35Å; G282-T299 VanDerWaalsContact O-OG1 3.11Å; E283-T299 VanDerWaalsContact CA-OG1 3.32Å; E283-T299 WeakPolarHBondContact CA-OG1 3.42Å; E283-T299 PolarHBondContact O-N 3.36Å; E283-T299 PolarHBondContact O-OG1 3.38Å; E283-T299 VanDerWaalsContact O-OG1 3.11Å; F285-T299 HydrophobicContact CD1-CG2 3.67Å; F285-T299 HydrophobicContact CE1-CG2 4.24Å; T299-F301 HydrophobicContact CG2-CD2 4.03Å
300N82.6Confident79.1Confident28 Ų2846.8 Ų46.815%0.1524%0.243CC..  trans-11215.8168.567.7-19.8000113.2T5 E6 Y264T5-N300 PolarHBondContact O-ND2 3.05Å; E6-N300 WeakPolarHBondContact O-CB 3.37Å; E6-N300 PolarHBondContact O-ND2 3.23Å; Y264-N300 PolarHBondContact OH-ND2 3.44Å
301F79.3Confident77.4Confident23 Ų2351.9 Ų51.910%0.10126%0.258CS..SBendtrans-94.8171.6179.2-53.2-56.9000112.5Y242 I254 I263 Y264 T299 E303Y242-F301 HydrophobicContact CD1-CD1 4.24Å; Y242-F301 HydrophobicContact CD1-CE1 4.11Å; Y242-F301 HydrophobicContact CD2-CB 3.89Å; Y242-F301 AromaticContact CD2-CD1 3.68Å; Y242-F301 HydrophobicContact CD2-CD1 3.68Å; Y242-F301 HydrophobicContact CD2-CD2 4.25Å; Y242-F301 HydrophobicContact CD2-CE1 4.29Å; Y242-F301 AromaticContact CD2-CG 3.66Å; Y242-F301 HydrophobicContact CD2-CG 3.66Å; Y242-F301 AromaticContact CE1-CD1 4Å; Y242-F301 HydrophobicContact CE1-CD1 4Å; Y242-F301 HydrophobicContact CE1-CE1 4.03Å; Y242-F301 HydrophobicContact CE2-CB 3.73Å; Y242-F301 AromaticContact CE2-CD1 3.42Å; Y242-F301 HydrophobicContact CE2-CD1 3.42Å; Y242-F301 VanDerWaalsContact CE2-CD1 3.42Å; Y242-F301 HydrophobicContact CE2-CE1 4.24Å; Y242-F301 AromaticContact CE2-CG 3.71Å; Y242-F301 HydrophobicContact CE2-CG 3.71Å; Y242-F301 HydrophobicContact CG-CD1 4.09Å; Y242-F301 HydrophobicContact CG-CE1 4.24Å; Y242-F301 HydrophobicContact CG-CG 4.28Å; Y242-F301 AromaticContact CZ-CD1 3.59Å; I254-F301 HydrophobicContact CD1-CE2 4.22Å; I254-F301 HydrophobicContact CG2-CE2 3.89Å; I254-F301 HydrophobicContact CG2-CZ 3.77Å; I263-F301 HydrophobicContact CD1-CE1 4.06Å; I263-F301 HydrophobicContact CD1-CZ 4.29Å; Y264-F301 HydrophobicContact CD2-CZ 4.27Å; Y264-F301 HydrophobicContact CE2-CZ 4.09Å; T299-F301 HydrophobicContact CG2-CD2 4.03Å; F301-E303 PolarHBondContact O-N 3.3Å
302D67.8Low75.8Confident88 Ų8858.5 Ų58.547%0.47128%0.281SS..  trans-56.7115.4-174.1-53.2-66000114.3H237 L304H237-D302 PolarHBondContact CE1-O 3.24Å; H237-D302 VanDerWaalsContact CE1-O 3.28Å; D302-L304 PolarHBondContact O-N 2.98Å
303E68Low74.3Confident123 Ų12358 Ų5858%0.57528%0.277SS*.  trans-66.5126.7171.1-60.7-175.7170.600110.8E283 F301E283-E303 HydrophobicContact CG-CB 4.38Å; E283-E303 HydrophobicContact CG-CG 3.92Å; F301-E303 PolarHBondContact O-N 3.3Å
304L63Low72.7Confident39 Ų3959.6 Ų59.620%0.20429%0.286CS..  trans-124.2120.8-178.5-74.2177.1000112P238 G281 D302 Y306 L309P238-L304 HydrophobicContact CB-CD1 4.38Å; G281-L304 VanDerWaalsContact CA-O 3.29Å; G281-L304 WeakPolarHBondContact CA-O 3.4Å; G281-L304 PolarHBondContact O-N 2.92Å; D302-L304 PolarHBondContact O-N 2.98Å; L304-Y306 PolarHBondContact O-N 3.43Å; L304-L309 HydrophobicContact CB-CD1 3.92Å; L304-L309 HydrophobicContact CD1-CD1 4.45Å
305P64.9Low70.9Confident102 Ų10267.9 Ų67.966%0.66232%0.322SS*.  trans-66.5109.5-17825.9-33.8000110.8K307 G308P305-K307 PolarHBondContact O-N 3.48Å; P305-G308 WeakPolarHBondContact O-CA 3.44Å; P305-G308 PolarHBondContact O-N 3.25Å
306Y58.5Low69.2Low55 Ų5571.7 Ų71.722%0.21634%0.336CS..Hα-helixtrans-49.3-35.4-173.7175.1-108.9000114.8P28 P70 K280 L304 G308 L309 N310P28-Y306 HydrophobicContact CB-CD1 4.27Å; P28-Y306 HydrophobicContact CB-CE1 3.56Å; P28-Y306 WeakPolarHBondContact O-CD1 2.94Å; P70-Y306 PolarHBondContact O-OH 3.27Å; P70-Y306 VanDerWaalsContact O-OH 3.04Å; K280-Y306 HydrophobicContact CB-CD2 3.35Å; K280-Y306 HydrophobicContact CB-CE2 3.61Å; K280-Y306 HydrophobicContact CB-CG 4.08Å; K280-Y306 HydrophobicContact CG-CD2 4.39Å; K280-Y306 HydrophobicContact CG-CE2 4.21Å; K280-Y306 WeakPolarHBondContact O-CD2 3.31Å; L304-Y306 PolarHBondContact O-N 3.43Å; Y306-G308 PolarHBondContact O-N 3.43Å; Y306-L309 PolarHBondContact O-N 3.31Å; Y306-N310 HydrophobicContact CE1-CB 4.15Å; Y306-N310 HydrophobicContact CE2-CB 4.31Å; Y306-N310 PolarHBondContact O-N 3Å; Y306-N310 PolarHBondContact OH-ND2 2.89Å
307K61.3Low67.4Low176 Ų17673.7 Ų73.777%0.76535%0.346SS*.Hα-helixtrans-58.2-27.9175.3-68.5-175.5179.51790113.3P305 K311P305-K307 PolarHBondContact O-N 3.48Å; K307-K311 WeakPolarHBondContact O-CB 3.14Å; K307-K311 VanDerWaalsContact O-CG 3.24Å; K307-K311 WeakPolarHBondContact O-CG 3.12Å; K307-K311 PolarHBondContact O-N 3.48Å
308G60.9Low65.4Low31 Ų3180.3 Ų80.332%0.3238%0.377SS..Hα-helixtrans-75.3-42.4172.900000112.6P305 Y306 K311 R312P305-G308 WeakPolarHBondContact O-CA 3.44Å; P305-G308 PolarHBondContact O-N 3.25Å; Y306-G308 PolarHBondContact O-N 3.43Å; G308-K311 PolarHBondContact O-N 3.09Å; G308-R312 WeakPolarHBondContact O-CG 3Å; G308-R312 PolarHBondContact O-N 3.13Å
309L61.3Low63.3Low20 Ų2081.9 Ų81.911%0.10539%0.388CS..Hα-helixtrans-63.8-49.2177.1-76.7157.8000112.1P238 L304 Y306 K311 R312 N313P238-L309 HydrophobicContact CB-CD1 3.58Å; P238-L309 WeakPolarHBondContact O-CD2 3.47Å; L304-L309 HydrophobicContact CB-CD1 3.92Å; L304-L309 HydrophobicContact CD1-CD1 4.45Å; Y306-L309 PolarHBondContact O-N 3.31Å; L309-K311 VanDerWaalsContact C-N 3.32Å; L309-K311 PolarHBondContact O-N 3.29Å; L309-R312 WeakPolarHBondContact O-CB 3.34Å; L309-R312 PolarHBondContact O-N 3.32Å; L309-N313 PolarHBondContact O-N 2.97Å
310N59.5Low61.3Low20 Ų2088.7 Ų88.711%0.10742%0.424CS..Hα-helixtrans-61.1-41.8177-167.8-34000110.8Y306 R312 N313 L314Y306-N310 HydrophobicContact CE1-CB 4.15Å; Y306-N310 HydrophobicContact CE2-CB 4.31Å; Y306-N310 PolarHBondContact O-N 3Å; Y306-N310 PolarHBondContact OH-ND2 2.89Å; N310-R312 PolarHBondContact O-N 2.79Å; N310-N313 PolarHBondContact O-N 2.87Å; N310-L314 WeakPolarHBondContact O-CB 3.18Å; N310-L314 WeakPolarHBondContact O-CG 3.36Å; N310-L314 PolarHBondContact O-N 2.89Å; N310-L314 WeakPolarHBondContact OD1-CD1 3.3Å
311K59.3Low59.4Low148 Ų14892 Ų9264%0.64345%0.448SS*.Hα-helixtrans-60.2-38170.9-79.8-179.1177.1-170.60114.1K307 G308 L309 N313 K315K307-K311 WeakPolarHBondContact O-CB 3.14Å; K307-K311 VanDerWaalsContact O-CG 3.24Å; K307-K311 WeakPolarHBondContact O-CG 3.12Å; K307-K311 PolarHBondContact O-N 3.48Å; G308-K311 PolarHBondContact O-N 3.09Å; L309-K311 VanDerWaalsContact C-N 3.32Å; L309-K311 PolarHBondContact O-N 3.29Å; K311-N313 VanDerWaalsContact C-N 3.34Å; K311-K315 WeakPolarHBondContact O-CB 3.49Å; K311-K315 WeakPolarHBondContact O-CG 3.18Å; K311-K315 PolarHBondContact O-N 2.89Å
312R60.8Low57.9Low159 Ų15996.1 Ų96.160%0.648%0.478SS*.Hα-helixtrans-64.8-38.2175.3-76.4171.9178.3175.9-0.8111.6G308 L309 N310G308-R312 WeakPolarHBondContact O-CG 3Å; G308-R312 PolarHBondContact O-N 3.13Å; L309-R312 WeakPolarHBondContact O-CB 3.34Å; L309-R312 PolarHBondContact O-N 3.32Å; N310-R312 PolarHBondContact O-N 2.79Å
313N60.8Low57Low33 Ų3397.2 Ų97.218%0.17649%0.49CS..Hα-helixtrans-73.1-45.5178.1-70.1-4.6000112A112 P154 L309 N310 K311 K315 R316 L317A112-N313 HydrophobicContact CB-CB 4.15Å; P154-N313 VanDerWaalsContact O-CB 3.29Å; P154-N313 WeakPolarHBondContact O-CB 3.28Å; L309-N313 PolarHBondContact O-N 2.97Å; N310-N313 PolarHBondContact O-N 2.87Å; K311-N313 VanDerWaalsContact C-N 3.34Å; N313-K315 PolarHBondContact O-N 2.96Å; N313-R316 WeakPolarHBondContact O-CB 3.18Å; N313-R316 PolarHBondContact O-N 2.89Å; N313-L317 PolarHBondContact O-N 3.44Å
314L61.2Low56.3Low59 Ų5997.3 Ų97.331%0.30949%0.49SS..Hα-helixtrans-57.1-35.2171.6-73.3166.3000112.7D113 N310 R316 L317 H318D113-L314 HydrophobicContact CB-CD2 4.32Å; N310-L314 WeakPolarHBondContact O-CB 3.18Å; N310-L314 WeakPolarHBondContact O-CG 3.36Å; N310-L314 PolarHBondContact O-N 2.89Å; N310-L314 WeakPolarHBondContact OD1-CD1 3.3Å; L314-R316 PolarHBondContact O-N 3.33Å; L314-L317 HydrophobicContact CD2-CD1 4.17Å; L314-L317 PolarHBondContact O-N 2.82Å; L314-H318 PolarHBondContact O-N 2.83Å
315K58.4Low55.9Low174 Ų174102.6 Ų102.676%0.75752%0.518SS*.Hα-helixtrans-68.8-9.8172.5-85-167169.1-148.30115.3K311 N313K311-K315 WeakPolarHBondContact O-CB 3.49Å; K311-K315 WeakPolarHBondContact O-CG 3.18Å; K311-K315 PolarHBondContact O-N 2.89Å; N313-K315 PolarHBondContact O-N 2.96Å
316R58.5Low55.7Low86 Ų86104.9 Ų104.933%0.32552%0.523SS..Hα-helixtrans-100.6-27.1173.5-65164.7165.7177.8-14.2112.5D155 R157 P196 S197 N313 L314D155-R316 HydrophobicContact CB-CB 3.53Å; R157-R316 PolarHBondContact NH2-O 2.93Å; P196-R316 PolarHBondContact O-NH1 2.8Å; S197-R316 VanDerWaalsContact O-CZ 3.3Å; S197-R316 PolarHBondContact O-NH1 2.89Å; S197-R316 PolarHBondContact O-NH2 3.48Å; N313-R316 WeakPolarHBondContact O-CB 3.18Å; N313-R316 PolarHBondContact O-N 2.89Å; L314-R316 PolarHBondContact O-N 3.33Å
317L58.1Low55.5Low43 Ų43106.9 Ų106.923%0.22554%0.538CS..Hα-helixtrans-65.7-44.5170.6-78.1148.8000110.9A112 D113 D155 N313 L314A112-L317 HydrophobicContact CB-CD1 4.18Å; D113-L317 HydrophobicContact CB-CD1 3.94Å; D155-L317 WeakPolarHBondContact O-CD2 3.14Å; D155-L317 WeakPolarHBondContact O-CG 3.47Å; N313-L317 PolarHBondContact O-N 3.44Å; L314-L317 HydrophobicContact CD2-CD1 4.17Å; L314-L317 PolarHBondContact O-N 2.82Å
318H50.7Low55.1Low149 Ų149104.3 Ų104.369%0.6953%0.531SS*.SBendtrans-76.3132167.7-75.3-81.3000110.9L314L314-H318 PolarHBondContact O-N 2.83Å
319F48.5Very low54.5Low151 Ų151112.1 Ų112.166%0.66255%0.553SS**PPolyproline II helixtrans-85126.4163.9-68.2-110.5000108.1
320D43.2Very low54.3Low156 Ų156116.8 Ų116.883%0.83458%0.584SS**PPolyproline II helixtrans-64.3148.5145.2-69.3-44.1000107.6
321S43.4Very low54.1Low96 Ų96126.7 Ų126.767%0.67162%0.62SS**PPolyproline II helixtrans-51.1147.2176.2-58.20000111.1
322P46.9Very low53.8Low110 Ų110124.6 Ų124.671%0.71462%0.62SS**PPolyproline II helixtrans-54.8129.7165.826.2-33.4000107.7H324P322-H324 PolarHBondContact O-N 2.78Å
323P49Very low53Low112 Ų112123 Ų12373%0.72763%0.63SS**PPolyproline II helixtrans-58.1118.5-169.221.7-33000109.4D327P323-D327 WeakPolarHBondContact CA-OD2 3.44Å; P323-D327 HydrophobicContact CB-CB 4.41Å
324H54.8Low52.2Low125 Ų125128.4 Ų128.458%0.57965%0.653SS**PPolyproline II helixtrans-68.5158.4178.3-118.4-99.3000109P322 L326 D327P322-H324 PolarHBondContact O-N 2.78Å; H324-L326 PolarHBondContact O-N 2.9Å; H324-D327 PolarHBondContact N-OD2 3.29Å; H324-D327 WeakPolarHBondContact O-CB 3.28Å; H324-D327 PolarHBondContact O-N 2.84Å
325L54.7Low51.3Low150 Ų150131.4 Ų131.479%0.78568%0.677SS**THydrogen-bonded Turntrans-59.7-17175.5-156.7143.6000112.3
326L60.1Low50.4Low149 Ų149131.8 Ų131.878%0.7868%0.681SS**THydrogen-bonded Turntrans-80.7-21.3173.7-58177.6000114.5H324 I328H324-L326 PolarHBondContact O-N 2.9Å; L326-I328 PolarHBondContact O-N 3.37Å
327D54.5Low49.8Very low97 Ų97135.3 Ų135.352%0.51970%0.701SS.*THydrogen-bonded Turntrans-78.5-12.3176.7-58.4-40.9000111.6P323 H324 Y329P323-D327 WeakPolarHBondContact CA-OD2 3.44Å; P323-D327 HydrophobicContact CB-CB 4.41Å; H324-D327 PolarHBondContact N-OD2 3.29Å; H324-D327 WeakPolarHBondContact O-CB 3.28Å; H324-D327 PolarHBondContact O-N 2.84Å; D327-Y329 VanDerWaalsContact C-N 3.33Å; D327-Y329 PolarHBondContact O-N 3.25Å
328I53.3Low49Very low122 Ų122142 Ų14263%0.62673%0.731SS**SBendtrans-78.983.3171.1-50.6178.1000108.5L326L326-I328 PolarHBondContact O-N 3.37Å
329Y48.3Very low48.5Very low196 Ų196142.1 Ų142.177%0.76973%0.73SS**  trans-53.2132.3165.6-72.6-84.6000109.8D327 R331D327-Y329 VanDerWaalsContact C-N 3.33Å; D327-Y329 PolarHBondContact O-N 3.25Å; Y329-R331 PolarHBondContact O-N 3.17Å
330P57Low48.3Very low117 Ų117141 Ų14176%0.7674%0.735SS**  trans-62.3116.4175.825.8-33000108.6T332P330-T332 PolarHBondContact O-N 3.32Å
331R54.4Low48.1Very low229 Ų229141 Ų14186%0.86473%0.73SS**  trans-61.5113.7176.3-65.1-172.7-174.6-169.22.6108.3Y329Y329-R331 PolarHBondContact O-N 3.17Å
332T54Low47.8Very low104 Ų104142.1 Ų142.164%0.63873%0.732SS**  trans-60.2135.6165.342.30000108.2P330 H334P330-T332 PolarHBondContact O-N 3.32Å; T332-H334 PolarHBondContact O-N 3.17Å; T332-H334 VanDerWaalsContact O-N 3.08Å
333P43.2Very low47.6Very low125 Ų125143 Ų14381%0.81274%0.736SS**  trans-64115.9179.325.3-32.8000109
334H44.7Very low47.3Very low146 Ų146145.7 Ų145.768%0.67674%0.738SS**  trans-69124.7172.3-56.6-55.8000108.4T332 H336T332-H334 PolarHBondContact O-N 3.17Å; T332-H334 VanDerWaalsContact O-N 3.08Å; H334-H336 PolarHBondContact O-N 3.14Å
335P41.3Very low46.6Very low123 Ų123146.9 Ų146.980%0.79975%0.748SS**  trans-67.4123.617227.9-32.4000108.9E337P335-E337 PolarHBondContact O-N 2.99Å
336H40.5Very low45.6Very low181 Ų181146.4 Ų146.484%0.83875%0.746SS**  trans-77.3108.2169-80.3-92.5000108.9H334 E338H334-H336 PolarHBondContact O-N 3.14Å; H336-E338 PolarHBondContact O-N 3.34Å
337E45.4Very low45Very low161 Ų161145 Ų14575%0.75275%0.745SS**  trans-75.7111.3160.1-72.1-167.616000108.7P335 K339P335-E337 PolarHBondContact O-N 2.99Å; E337-K339 VanDerWaalsContact C-N 3.25Å; E337-K339 PolarHBondContact O-N 3.02Å
338E41.5Very low44.3Very low182 Ų182149.4 Ų149.485%0.8576%0.76SS**  trans-73.977.4172.4-69.5-169.2140.500111H336 V340H336-E338 PolarHBondContact O-N 3.34Å; E338-V340 PolarHBondContact O-N 2.92Å
339K40Very low43.6Very low153 Ų153151.7 Ų151.767%0.66577%0.773SS**  trans-78.297.5163.7-76.8-170.6177.9-177.60110.2E337 E341E337-K339 VanDerWaalsContact C-N 3.25Å; E337-K339 PolarHBondContact O-N 3.02Å; K339-E341 VanDerWaalsContact C-N 3.29Å; K339-E341 PolarHBondContact O-N 3.42Å
340V44Very low43.1Very low128 Ų128151.4 Ų151.478%0.77678%0.778SS**  trans-76.182.3168.8-175.40000109E338E338-V340 PolarHBondContact O-N 2.92Å
341E39.4Very low42.1Very low156 Ų156152.3 Ų152.373%0.72978%0.781SS**  trans-86.1112168-70.8-177.1166.700109.2K339 V343K339-E341 VanDerWaalsContact C-N 3.29Å; K339-E341 PolarHBondContact O-N 3.42Å; E341-V343 PolarHBondContact O-N 3.01Å
342T37.1Very low41.5Very low118 Ų118148.5 Ų148.572%0.72478%0.777SS**  trans-74.1110.8179.947.60000110.6E344T342-E344 PolarHBondContact O-N 2.84Å; T342-E344 VanDerWaalsContact O-N 3.07Å
343V42.9Very low40.4Very low130 Ų130150.7 Ų150.779%0.78879%0.785SS**  trans-71.4100.6178.3-1790000110.4E341 I345E341-V343 PolarHBondContact O-N 3.01Å; V343-I345 PolarHBondContact O-N 3.37Å
344E41.5Very low40.4Very low167 Ų167152.9 Ų152.978%0.7879%0.789SS**  trans-74.1112.1170.9-66.7-168.6155.700110.7T342 N346T342-E344 PolarHBondContact O-N 2.84Å; T342-E344 VanDerWaalsContact O-N 3.07Å; E344-N346 PolarHBondContact O-N 3.16Å
345I39.9Very low40.4Very low151 Ų151154.7 Ų154.777%0.77480%0.797SS**  trans-83.3108178.8-57.1175.5000109V343 P347V343-I345 PolarHBondContact O-N 3.37Å; I345-P347 WeakPolarHBondContact O-CD 3.28Å
346N35.4Very low40.2Very low140 Ų140156.8 Ų156.875%0.74980%0.8SS**  trans-81.5113.1178.1-111.5-56.8000111.4E344 K348E344-N346 PolarHBondContact O-N 3.16Å; N346-K348 VanDerWaalsContact C-N 3.28Å; N346-K348 PolarHBondContact O-N 3.48Å
347P45.9Very low40.3Very low118 Ų118153.6 Ų153.677%0.76680%0.798SS**  trans-87.355.2-170.337-36.9000112.7I345I345-P347 WeakPolarHBondContact O-CD 3.28Å
348K40.8Very low39.8Very low190 Ų190151.9 Ų151.983%0.82680%0.799SS**  trans-143.973.8176.3-78-163.4172.7-173.90113.3N346N346-K348 VanDerWaalsContact C-N 3.28Å; N346-K348 PolarHBondContact O-N 3.48Å
349L37.8Very low40.1Very low170 Ų170147.3 Ų147.389%0.8979%0.785SS**  trans-133.7125.9152.2-74.3175.5000107.6
350E37.6Very low40.1Very low190 Ų190145.7 Ų145.789%0.88879%0.79SS**PPolyproline II helixtrans-78.6140.5-179.8-66.9174.1149.300109.9I352E350-I352 PolarHBondContact O-N 3.23Å
351V37.5Very low39.7Very low136 Ų136144.6 Ų144.682%0.82478%0.783SS**PPolyproline II helixtrans-77.7121.9177.6179.80000108.4
352I40.3Very low39.6Very low149 Ų149141.1 Ų141.176%0.76477%0.772SS**PPolyproline II helixtrans-90.8120.3177-59.5176.3000108.6E350E350-I352 PolarHBondContact O-N 3.23Å
353D32.2Very low39.3Very low151 Ų151140.9 Ų140.981%0.80777%0.767SS**PPolyproline II helixtrans-66.9131.1-178.4-80.7-49.8000113.1Q355D353-Q355 PolarHBondContact O-N 3.29Å
354L42.3Very low38.9Very low171 Ų171141.2 Ų141.290%0.89576%0.763SS**  trans-96.461.3-175.5-79.1163.9000112.6
355Q45Very low38.6Very low183 Ų183140.5 Ų140.586%0.85576%0.763SS**  trans-134.980.3170.9-70.9-158.4700114D353D353-Q355 PolarHBondContact O-N 3.29Å
356I37.2Very low38.2Very low168 Ų168138.5 Ų138.586%0.86276%0.763SS**  trans-134.1124.1152.6-58.3-178.6000107.9
357S41.7Very low37.9Very low113 Ų113141.6 Ų141.679%0.7977%0.77SS**  trans-120.890.9-175.9610000112.5
358T36.2Very low37Very low125 Ų125143.4 Ų143.477%0.76777%0.773SS**  trans179.6123.6152.532.80000109.1
359P47.7Very low36.2Very low87 Ų87139.2 Ų139.257%0.56577%0.768SS**PPolyproline II helixtrans-74.7158.7166.133-34.2000110.9
360P39.2Very low35.7Very low118 Ų118137.5 Ų137.577%0.76677%0.765SS**PPolyproline II helixtrans-67.3140.4177.928.2-34.7000112.1
361V35.5Very low35.1Very low106 Ų106133.8 Ų133.864%0.64276%0.755SS**PPolyproline II helixtrans-91.9127.8166.8-179.90000108.1D363V361-D363 WeakPolarHBondContact CG1-OD1 3.38Å
362V37.4Very low34.5Very low82 Ų82133 Ų13350%0.49775%0.751SS.*  trans-102.383.5177.7-175.70000108.9I364V362-I364 HydrophobicContact CG1-CG1 4.14Å; V362-I364 PolarHBondContact O-N 3.48Å
363D31.5Very low33.7Very low113 Ų113132 Ų13260%0.60475%0.752SS**  trans-80.6109.4174.7-71.8-36.1000110.4V361 L365V361-D363 WeakPolarHBondContact CG1-OD1 3.38Å; D363-L365 PolarHBondContact O-N 3.02Å
364I35Very low33.3Very low137 Ų137133 Ų13370%0.70375%0.752SS**  trans-94.387.4176.1-53.4179.1000109.1V362V362-I364 HydrophobicContact CG1-CG1 4.14Å; V362-I364 PolarHBondContact O-N 3.48Å
365L35Very low32.4Very low152 Ų152129.9 Ų129.980%0.79674%0.74SS**  trans-76.7149.9170.4-72177.3000111.8D363D363-L365 PolarHBondContact O-N 3.02Å
366S31.6Very low31.4Very low109 Ų109126.9 Ų126.976%0.76274%0.739SS**  trans-67.7128.1-175.249.40000113D368S366-D368 PolarHBondContact O-N 2.85Å
367F27.8Very low30.7Very low206 Ų206122.7 Ų122.790%0.90474%0.738SS**  trans-70.4111.6162.6-96.5-94.9000110.3
368D27.1Very low29.9Very low155 Ų155128.8 Ų128.883%0.82974%0.743SS**  trans-109.4155.3151.1-101.4-42.3000109.2S366S366-D368 PolarHBondContact O-N 2.85Å
369S25.3Very low29.2Very low102 Ų102129.3 Ų129.371%0.71375%0.747SS**  trans-129.6128-166.364.40000113.2
370T26.9Very low28.1Very low134 Ų134132.8 Ų132.882%0.82276%0.759SS**  trans-173115.5143.812.40000114
371T25.7Very low27.8Very low112 Ų112132.9 Ų132.969%0.68776%0.76SS**  trans36.5105.8135.856.60000122.7
372T23.5Very low27.3Very low121 Ų121133.8 Ų133.874%0.74276%0.761SS**  70.9142.8121.358.40000123.7
373T24.2Very low26.7Very low128 Ų128138.7 Ų138.779%0.78578%0.776SS**  trans65.8147.6159.552.90000119.5
374E22.9Very low26.4Very low171 Ų171137 Ų13780%0.79979%0.785SS**  cis-165.4163.1-32.2-151.1173.5-127.100109.8
375T23.2Very low26Very low106 Ų106139.5 Ų139.565%0.6579%0.793SS**  trans69114.9156.5-31.60000121.6
376S23.9Very low25.5Very low119 Ų119141.6 Ų141.683%0.83280%0.799SS**  trans58.3130.1145.770.30000122.8
377G23.3Very low25.2Very low81 Ų81140.8 Ų140.884%0.83580%0.799SS**  trans-173.4151162.200000111.8
378R24.1Very low25Very low240 Ų240136.9 Ų136.991%0.90680%0.796SS**  trans-119.4167.6178.5-88.9-174.4171.5-175.6-2.2111.4
379T23.3Very low24.9Very low137 Ų137133.1 Ų133.184%0.8479%0.794SS**  trans77.2128.9152.226.40000120.7
380L24.8Very low24.9Very low159 Ų159138.4 Ų138.483%0.83280%0.8SS**  trans-72.5154.9151.7-63.5162.6000109.3
381P32.4Very low24.8Very low120 Ų120141.8 Ų141.878%0.77980%0.804SS**  -118.7162.873.72.720.4000112.4
382D23.7Very low24.9Very low125 Ų125143.1 Ų143.167%0.66881%0.806SS**  82.1125.550.3-161.741.8000115.7
383K26.6Very low25.2Very low186 Ų186144.9 Ų144.981%0.80981%0.811SS**  trans66.4140.1171.5-74.9161.5-165.7173.20122
384G25.1Very low25.9Very low76 Ų76143.7 Ų143.778%0.78481%0.805SS**  trans171.591.417300000109.7
385E25.7Very low26Very low190 Ų190141.3 Ų141.389%0.88881%0.807SS**  trans-91.9-170.5174.9-65-177.4120.500111.1
386E25.1Very low26.2Very low197 Ų197143.4 Ų143.492%0.92181%0.814SS**  trans79.5139.2-176-60.4-167.8171.800116.3
387A24.5Very low26.3Very low92 Ų92146 Ų14676%0.7682%0.817SS**  cis-155.8169.9-13.700000111.6
388C24Very low26.5Very low124 Ų124146.9 Ų146.984%0.83881%0.81SS**  trans-68.5153.2-174.5-64.70000115.3
389G24.7Very low27.3Very low76 Ų76139.6 Ų139.678%0.78479%0.794SS**  trans-134.534.6175.800000114.7
390Y25.4Very low27.2Very low213 Ų213141.2 Ų141.284%0.83579%0.792SS**  trans-71.7126.5173.8-84.3-84.3000111.3
391F25.4Very low27.1Very low205 Ų205139 Ų13990%0.89979%0.789SS**  trans-121.794159.9-91.1-77.6000111.1
392L27.3Very low26.7Very low140 Ų140138 Ų13873%0.73379%0.785SS**  trans-71.9149.8142.8-68.5164.8000108
393N28.7Very low27.3Very low158 Ų158138 Ų13885%0.84579%0.792SS**  -174.3163.3115.6-96.2-16.4000113.1
394P38.7Very low27.2Very low102 Ų102136.1 Ų136.166%0.66280%0.796SS**  trans-132-165.9-14545-29.7000113.5
395S25.6Very low27.2Very low122 Ų122138.8 Ų138.885%0.85380%0.797SS**  trans-138.9118.5145.651.10000110.9
396L28.1Very low27.3Very low149 Ų149136.1 Ų136.178%0.7879%0.794SS**  trans-80.5158.7168.3-74.4155000109.8
397L26.5Very low27.5Very low174 Ų174136.3 Ų136.391%0.91179%0.792SS**  -179.8135.4114.8-93.6161.3000112.7
398S27.7Very low27.6Very low99 Ų99140.4 Ų140.469%0.69279%0.793SS**  trans-118.6-163.5166.9570000107.2
399P40.3Very low27.7Very low87 Ų87144.5 Ų144.557%0.56580%0.796SS**  cis-139-165.2-2.743.7-24.6000114.9
400E21.6Very low27.8Very low171 Ų171144.7 Ų144.780%0.79978%0.782SS**  trans63.9160.6153.5-72.8157-128.800118.1
401C21.5Very low28.1Very low114 Ų114142.3 Ų142.377%0.7778%0.779SS**  cis-158.4-179.1-16.5-119.50000107.3
402S25.4Very low28.1Very low97 Ų97139.2 Ų139.268%0.67877%0.772SS**  cis-164.3157.2-4.443.50000108.6
403P34.6Very low28.1Very low127 Ų127139.8 Ų139.883%0.82577%0.772SS**  trans-83.7157-173.334.4-36.9000115.2
404T26.2Very low28Very low145 Ų145136.9 Ų136.989%0.8976%0.764SS**  trans-125.8142.1174.253.20000113.2
405T24.6Very low27.5Very low133 Ų133139.8 Ų139.882%0.81677%0.774SS**  trans-110.2144.5-170.657.70000113.7
406T27.2Very low27.8Very low133 Ų133141.4 Ų141.482%0.81677%0.773SS**  trans-142.5110.6151.547.30000113.4
407K28.8Very low28.3Very low202 Ų202139.7 Ų139.788%0.87877%0.77SS**  27.7150.9126.9-62.8172.7-178.4172.90120.3
408K26.9Very low28.4Very low178 Ų178136.9 Ų136.977%0.77476%0.764SS**  cis178.8133.3-18.1-176-175.5-173.6-168.80107.2
409K26.1Very low29.1Very low209 Ų209141 Ų14191%0.90977%0.772SS**  trans-163.3165.8151.5-112.8174.4-176.6-173.30110.1
410T28.1Very low28.8Very low81 Ų81142.3 Ų142.350%0.49778%0.784SS.*  trans-137.4159-151540000114.5
411E30.5Very low29.8Very low162 Ų162142.5 Ų142.576%0.75778%0.784SS**  trans64146.6158.2-67.2116.5-15000117.7
412D25.1Very low30.8Very low141 Ų141148.9 Ų148.975%0.75479%0.792SS**  cis-152.7165.8-0.1-134.7-11.5000115.6
413M27.6Very low32.1Very low152 Ų152149.4 Ų149.475%0.74980%0.796SS**  trans5.1147.5166.1-67.7-67.2-78.200125.6
414S28Very low33.5Very low96 Ų96148.4 Ų148.467%0.67178%0.782SS**  trans60.4131.5154.141.90000118.8
415D27.3Very low35.8Very low163 Ų163145.6 Ų145.687%0.87277%0.766SS**  cis-145.5174.935.2-90.2-40.5000114.9
416L31.2Very low38.1Very low157 Ų157145.6 Ų145.682%0.82276%0.761SS**  trans-90.3154.8169.3-89166.2000110.9
417P39.4Very low40.6Very low113 Ų113142.8 Ų142.873%0.73475%0.751SS**  -152.7174.254.442.8-22.5000119.4
418C28.7Very low43.1Very low114 Ų114136.4 Ų136.477%0.7773%0.729SS**  trans61.2147.3152.4-83.70000123.7
419E42.5Very low45.8Very low186 Ų186130.1 Ų130.187%0.86971%0.705SS**  trans-5.9121.4161.6-56.6-174.2143.700118.6
420S33.7Very low48.6Very low115 Ų115124.7 Ų124.780%0.80469%0.686SS**  trans-120.8106.7152.9420000110.2
421Q41.9Very low51.4Low175 Ų175123 Ų12382%0.81868%0.681SS**  trans-57.3140.3157.7-64176.5-3.700108S423Q421-S423 PolarHBondContact O-N 2.85Å
422R42.9Very low54.1Low248 Ų248120.1 Ų120.194%0.93667%0.67SS**  trans-72.282.3171.1-76.7-175.8174.5175.7-1.4109.5I424R422-I424 PolarHBondContact O-N 2.96Å
423S52.6Low57.2Low107 Ų107119.4 Ų119.475%0.74866%0.662SS**PPolyproline II helixtrans-59.8119.4168.942.40000109.3Q421Q421-S423 PolarHBondContact O-N 2.85Å
424I63.8Low60.1Low107 Ų107117.5 Ų117.555%0.54965%0.651SS.*PPolyproline II helixtrans-63.5133.3166.1-61172.7000106.2R422 L426 V428 T429R422-I424 PolarHBondContact O-N 2.96Å; I424-L426 PolarHBondContact O-N 2.8Å; I424-V428 HydrophobicContact CG2-CB 3.97Å; I424-V428 HydrophobicContact CG2-CG1 3.99Å; I424-T429 HydrophobicContact CB-CG2 4.29Å; I424-T429 HydrophobicContact CG2-CG2 3.99Å
425P75Confident63.1Low85 Ų85117.1 Ų117.155%0.55264%0.641SS**PPolyproline II helixtrans-58.1134.6179.4-23.333.1000110.5A427 V428 T429P425-A427 VanDerWaalsContact C-N 3.26Å; P425-A427 PolarHBondContact O-N 3.43Å; P425-V428 HydrophobicContact CB-CG2 4.19Å; P425-V428 HydrophobicContact CG-CG2 4.38Å; P425-V428 WeakPolarHBondContact O-CA 3.47Å; P425-V428 WeakPolarHBondContact O-CB 3.22Å; P425-V428 PolarHBondContact O-N 2.84Å; P425-T429 PolarHBondContact O-N 2.82Å
426L73.9Confident65.9Low133 Ų133115.3 Ų115.370%0.69663%0.629SS**Hα-helixtrans-55.7-40.7-174.8-68.9167.3000112.4I424 V428 T429 D430I424-L426 PolarHBondContact O-N 2.8Å; L426-V428 PolarHBondContact O-N 2.9Å; L426-T429 WeakPolarHBondContact CA-OG1 3.37Å; L426-T429 PolarHBondContact O-N 2.9Å; L426-T429 PolarHBondContact O-OG1 3.25Å; L426-D430 PolarHBondContact O-N 3.33Å
427A78Confident68.7Low75 Ų75114.1 Ų114.162%0.6262%0.619SS**Hα-helixtrans-57.8-21.1174.300000114.6P425 A431P425-A427 VanDerWaalsContact C-N 3.26Å; P425-A427 PolarHBondContact O-N 3.43Å; A427-A431 VanDerWaalsContact O-CB 3.24Å; A427-A431 WeakPolarHBondContact O-CB 3.27Å; A427-A431 PolarHBondContact O-N 2.91Å
428V81.6Confident71.2Confident68 Ų68114.4 Ų114.441%0.41261%0.611SS.*Hα-helixtrans-86.1-35.8173.4-179.80000111.3I424 P425 L426 L432I424-V428 HydrophobicContact CG2-CB 3.97Å; I424-V428 HydrophobicContact CG2-CG1 3.99Å; P425-V428 HydrophobicContact CB-CG2 4.19Å; P425-V428 HydrophobicContact CG-CG2 4.38Å; P425-V428 WeakPolarHBondContact O-CA 3.47Å; P425-V428 WeakPolarHBondContact O-CB 3.22Å; P425-V428 PolarHBondContact O-N 2.84Å; L426-V428 PolarHBondContact O-N 2.9Å; V428-L432 HydrophobicContact CG1-CD1 4.12Å; V428-L432 WeakPolarHBondContact O-CB 3.47Å; V428-L432 WeakPolarHBondContact O-CD1 3.46Å; V428-L432 WeakPolarHBondContact O-CG 3.35Å; V428-L432 PolarHBondContact O-N 2.75Å
429T84.1Confident74Confident45 Ų45113.7 Ų113.728%0.27660%0.598SS.*Hα-helixtrans-66.2-45.4171.750.10000110.9I424 P425 L426 A431 L432 E433I424-T429 HydrophobicContact CB-CG2 4.29Å; I424-T429 HydrophobicContact CG2-CG2 3.99Å; P425-T429 PolarHBondContact O-N 2.82Å; L426-T429 WeakPolarHBondContact CA-OG1 3.37Å; L426-T429 PolarHBondContact O-N 2.9Å; L426-T429 PolarHBondContact O-OG1 3.25Å; T429-A431 VanDerWaalsContact C-N 3.32Å; T429-A431 PolarHBondContact O-N 2.71Å; T429-L432 PolarHBondContact O-N 3.13Å; T429-L432 VanDerWaalsContact O-N 3.1Å; T429-E433 PolarHBondContact O-N 2.97Å
430D84.6Confident75.7Confident95 Ų95108 Ų10851%0.50857%0.574SS.*Hα-helixtrans-61.6-41.9179.3-52.8-9.5000110.9L426 E433 H434L426-D430 PolarHBondContact O-N 3.33Å; D430-E433 PolarHBondContact O-N 3.08Å; D430-H434 WeakPolarHBondContact O-CB 3.18Å; D430-H434 PolarHBondContact O-N 2.91Å
431A86.3Confident78.3Confident47 Ų47106.7 Ų106.739%0.38856%0.561SS.*Hα-helixtrans-66-38.6174.600000112.6A427 T429 I435A427-A431 VanDerWaalsContact O-CB 3.24Å; A427-A431 WeakPolarHBondContact O-CB 3.27Å; A427-A431 PolarHBondContact O-N 2.91Å; T429-A431 VanDerWaalsContact C-N 3.32Å; T429-A431 PolarHBondContact O-N 2.71Å; A431-I435 WeakPolarHBondContact O-CB 3.28Å; A431-I435 WeakPolarHBondContact O-CD1 3.28Å; A431-I435 WeakPolarHBondContact O-CG1 3.38Å; A431-I435 PolarHBondContact O-N 2.97Å
432L88.3Confident80.4Confident100 Ų100103.3 Ų103.352%0.52455%0.548SS..Hα-helixtrans-68.3-40.1176.4-76.9169.1000112.1V428 T429 I435 M436V428-L432 HydrophobicContact CG1-CD1 4.12Å; V428-L432 WeakPolarHBondContact O-CB 3.47Å; V428-L432 WeakPolarHBondContact O-CD1 3.46Å; V428-L432 WeakPolarHBondContact O-CG 3.35Å; V428-L432 PolarHBondContact O-N 2.75Å; T429-L432 PolarHBondContact O-N 3.13Å; T429-L432 VanDerWaalsContact O-N 3.1Å; L432-I435 PolarHBondContact O-N 3.35Å; L432-M436 WeakPolarHBondContact O-CB 3.34Å; L432-M436 PolarHBondContact O-N 2.95Å
433E89Confident82.1Confident126 Ų12694.1 Ų94.159%0.58952%0.519SS*.Hα-helixtrans-63-47.3173.3-71-166.3158.600110.9T429 D430 I435 M436 E437T429-E433 PolarHBondContact O-N 2.97Å; D430-E433 PolarHBondContact O-N 3.08Å; E433-I435 VanDerWaalsContact C-N 3.31Å; E433-I435 PolarHBondContact O-N 3.48Å; E433-M436 CarbonylContact O-C 3.55Å; E433-M436 WeakPolarHBondContact O-CA 3.24Å; E433-M436 WeakPolarHBondContact O-CB 3.49Å; E433-M436 PolarHBondContact O-N 3.49Å; E433-E437 PolarHBondContact O-N 2.7Å
434H90.3Very high83.3Confident112 Ų11293.9 Ų93.952%0.51951%0.507SS..Hα-helixtrans-61.7-36.8177.8-165.3-23.2000112.6D430 Q438D430-H434 WeakPolarHBondContact O-CB 3.18Å; D430-H434 PolarHBondContact O-N 2.91Å; H434-Q438 PolarHBondContact CE1-NE2 2.77Å; H434-Q438 WeakPolarHBondContact O-CG 3.41Å; H434-Q438 PolarHBondContact O-N 2.75Å; H434-Q438 VanDerWaalsContact O-N 3.08Å
435I91.1Very high84.4Confident88 Ų8891.9 Ų91.945%0.45150%0.499SS..Hα-helixtrans-65.6-42.2171.6-72.2164000110.7A431 L432 E433 E437 Q438 L439A431-I435 WeakPolarHBondContact O-CB 3.28Å; A431-I435 WeakPolarHBondContact O-CD1 3.28Å; A431-I435 WeakPolarHBondContact O-CG1 3.38Å; A431-I435 PolarHBondContact O-N 2.97Å; L432-I435 PolarHBondContact O-N 3.35Å; E433-I435 VanDerWaalsContact C-N 3.31Å; E433-I435 PolarHBondContact O-N 3.48Å; I435-E437 PolarHBondContact O-N 2.91Å; I435-Q438 PolarHBondContact O-N 2.92Å; I435-L439 HydrophobicContact CG2-CD1 3.98Å; I435-L439 HydrophobicContact CG2-CG 4.43Å; I435-L439 WeakPolarHBondContact O-CG 3.14Å; I435-L439 PolarHBondContact O-N 3.12Å
436M85.9Confident84.9Confident125 Ų12591.1 Ų91.162%0.61649%0.493SS*.Hα-helixtrans-67.4-34.5179.9-166.2170.162.400112.3L432 E433 N440L432-M436 WeakPolarHBondContact O-CB 3.34Å; L432-M436 PolarHBondContact O-N 2.95Å; E433-M436 CarbonylContact O-C 3.55Å; E433-M436 WeakPolarHBondContact O-CA 3.24Å; E433-M436 WeakPolarHBondContact O-CB 3.49Å; E433-M436 PolarHBondContact O-N 3.49Å; M436-N440 WeakPolarHBondContact O-CB 3.47Å; M436-N440 PolarHBondContact O-N 3.44Å
437E89.3Confident85.2Confident132 Ų13285.6 Ų85.662%0.61747%0.466SS*.Hα-helixtrans-64.2-47.6169.1-70.4-159.7141.900112.1E433 I435 L439 N440 V441E433-E437 PolarHBondContact O-N 2.7Å; I435-E437 PolarHBondContact O-N 2.91Å; E437-L439 VanDerWaalsContact C-N 3.3Å; E437-L439 PolarHBondContact O-N 2.91Å; E437-N440 WeakPolarHBondContact O-CB 3.36Å; E437-N440 PolarHBondContact O-N 3.11Å; E437-N440 VanDerWaalsContact O-N 3.11Å; E437-V441 WeakPolarHBondContact O-CG2 3.45Å; E437-V441 PolarHBondContact O-N 3.29Å
438Q91.1Very high85.4Confident120 Ų12085.5 Ų85.556%0.56145%0.454SS*.Hα-helixtrans-59.8-40176.8-75.9-176.9-2.200112.1H434 I435 V441 L442H434-Q438 PolarHBondContact CE1-NE2 2.77Å; H434-Q438 WeakPolarHBondContact O-CG 3.41Å; H434-Q438 PolarHBondContact O-N 2.75Å; H434-Q438 VanDerWaalsContact O-N 3.08Å; I435-Q438 PolarHBondContact O-N 2.92Å; Q438-V441 PolarHBondContact O-N 2.92Å; Q438-L442 WeakPolarHBondContact O-CB 3.37Å; Q438-L442 PolarHBondContact O-N 3.11Å
439L87.9Confident85.5Confident98 Ų9887.5 Ų87.551%0.51346%0.461SS..Hα-helixtrans-66.1-36.6174.5-71.8171.4000112.7I435 E437 L442 T443I435-L439 HydrophobicContact CG2-CD1 3.98Å; I435-L439 HydrophobicContact CG2-CG 4.43Å; I435-L439 WeakPolarHBondContact O-CG 3.14Å; I435-L439 PolarHBondContact O-N 3.12Å; E437-L439 VanDerWaalsContact C-N 3.3Å; E437-L439 PolarHBondContact O-N 2.91Å; L439-L442 PolarHBondContact O-N 3.17Å; L439-T443 WeakPolarHBondContact O-CB 3.17Å; L439-T443 PolarHBondContact O-N 3.47Å; L439-T443 PolarHBondContact O-OG1 3.18Å
440N78Confident85.4Confident68 Ų6887.7 Ų87.736%0.36446%0.459SS..Hα-helixtrans-64.6-46173.6-175.517.1000111M436 E437 L442 T443 Q444M436-N440 WeakPolarHBondContact O-CB 3.47Å; M436-N440 PolarHBondContact O-N 3.44Å; E437-N440 WeakPolarHBondContact O-CB 3.36Å; E437-N440 PolarHBondContact O-N 3.11Å; E437-N440 VanDerWaalsContact O-N 3.11Å; N440-L442 PolarHBondContact O-N 2.98Å; N440-T443 PolarHBondContact O-N 3.09Å; N440-Q444 WeakPolarHBondContact O-CG 3.16Å; N440-Q444 PolarHBondContact O-N 2.58Å; N440-Q444 PolarHBondContact OD1-NE2 2.8Å
441V88.8Confident85.2Confident87 Ų8786.3 Ų86.353%0.52745%0.45SS..Hα-helixtrans-61.8-42.2174.61740000111.6E437 Q438 T443 Q444 T445E437-V441 WeakPolarHBondContact O-CG2 3.45Å; E437-V441 PolarHBondContact O-N 3.29Å; Q438-V441 PolarHBondContact O-N 2.92Å; V441-T443 PolarHBondContact O-N 2.8Å; V441-Q444 PolarHBondContact O-N 3.05Å; V441-T445 WeakPolarHBondContact O-CG2 3.5Å; V441-T445 PolarHBondContact O-N 3.23Å; V441-T445 PolarHBondContact O-OG1 3.15Å
442L85.3Confident85.1Confident104 Ų10491.9 Ų91.955%0.54546%0.461SS..Hα-helixtrans-62.3-42.9175.8-165.677.4000111.6Q438 L439 N440 Q444 T445 V446Q438-L442 WeakPolarHBondContact O-CB 3.37Å; Q438-L442 PolarHBondContact O-N 3.11Å; L439-L442 PolarHBondContact O-N 3.17Å; N440-L442 PolarHBondContact O-N 2.98Å; L442-Q444 VanDerWaalsContact C-N 3.33Å; L442-Q444 PolarHBondContact O-N 2.83Å; L442-T445 WeakPolarHBondContact CA-OG1 3.28Å; L442-T445 PolarHBondContact O-N 2.91Å; L442-T445 PolarHBondContact O-OG1 2.97Å; L442-V446 WeakPolarHBondContact O-CG2 3.32Å; L442-V446 PolarHBondContact O-N 3.39Å
443T78.6Confident85.1Confident54 Ų5491.8 Ų91.833%0.33146%0.46SS..Hα-helixtrans-62.4-40.7177.3-56.50000111.3Y141 L439 N440 V441 S447Y141-T443 HydrophobicContact CD1-CG2 4.4Å; Y141-T443 HydrophobicContact CD2-CG2 3.62Å; Y141-T443 HydrophobicContact CE2-CG2 4.21Å; Y141-T443 HydrophobicContact CG-CG2 3.72Å; L439-T443 WeakPolarHBondContact O-CB 3.17Å; L439-T443 PolarHBondContact O-N 3.47Å; L439-T443 PolarHBondContact O-OG1 3.18Å; N440-T443 PolarHBondContact O-N 3.09Å; V441-T443 PolarHBondContact O-N 2.8Å; T443-S447 PolarHBondContact O-N 3.43Å
444Q78.2Confident84.6Confident103 Ų10387 Ų8748%0.48144%0.44SS..Hα-helixtrans-67.1-43.1175.5-68.9174.63800112.4N440 V441 L442 S447 I448N440-Q444 WeakPolarHBondContact O-CG 3.16Å; N440-Q444 PolarHBondContact O-N 2.58Å; N440-Q444 PolarHBondContact OD1-NE2 2.8Å; V441-Q444 PolarHBondContact O-N 3.05Å; L442-Q444 VanDerWaalsContact C-N 3.33Å; L442-Q444 PolarHBondContact O-N 2.83Å; Q444-S447 PolarHBondContact O-N 3.13Å; Q444-I448 VanDerWaalsContact O-CG1 3.3Å; Q444-I448 WeakPolarHBondContact O-CG1 3.37Å; Q444-I448 PolarHBondContact O-N 3.48Å
445T86.8Confident84.2Confident65 Ų6585.1 Ų85.140%0.39943%0.433SS..Hα-helixtrans-65.9-39.2177.654.30000112.1V441 L442 I448 L449V441-T445 WeakPolarHBondContact O-CG2 3.5Å; V441-T445 PolarHBondContact O-N 3.23Å; V441-T445 PolarHBondContact O-OG1 3.15Å; L442-T445 WeakPolarHBondContact CA-OG1 3.28Å; L442-T445 PolarHBondContact O-N 2.91Å; L442-T445 PolarHBondContact O-OG1 2.97Å; T445-I448 PolarHBondContact O-N 2.89Å; T445-L449 WeakPolarHBondContact O-CB 3.37Å; T445-L449 VanDerWaalsContact O-CG 3.28Å; T445-L449 WeakPolarHBondContact O-CG 3.31Å; T445-L449 PolarHBondContact O-N 3.03Å
446V86.9Confident83.8Confident69 Ų6985 Ų8542%0.41844%0.437SS..Hα-helixtrans-59.9-46170.81710000111.3L442 I448 L449 E450L442-V446 WeakPolarHBondContact O-CG2 3.32Å; L442-V446 PolarHBondContact O-N 3.39Å; V446-I448 VanDerWaalsContact C-N 3.3Å; V446-I448 PolarHBondContact O-N 3.31Å; V446-L449 PolarHBondContact O-N 3.02Å; V446-L449 VanDerWaalsContact O-N 3.13Å; V446-E450 PolarHBondContact O-N 3.49Å
447S78.6Confident83.9Confident17 Ų1783.9 Ų83.912%0.11943%0.43CS..Hα-helixtrans-60.4-38.2176.8-1670000113T443 Q444 Q451T443-S447 PolarHBondContact O-N 3.43Å; Q444-S447 PolarHBondContact O-N 3.13Å; S447-Q451 WeakPolarHBondContact O-CG 3.15Å; S447-Q451 PolarHBondContact O-N 2.97Å; S447-Q451 VanDerWaalsContact O-N 3.12Å
448I83.2Confident83.5Confident73 Ų7379.3 Ų79.337%0.37441%0.41SS..Hα-helixtrans-71.1-34.7176.9-68.4164.4000110.7Q444 T445 V446 Q451 R452Q444-I448 VanDerWaalsContact O-CG1 3.3Å; Q444-I448 WeakPolarHBondContact O-CG1 3.37Å; Q444-I448 PolarHBondContact O-N 3.48Å; T445-I448 PolarHBondContact O-N 2.89Å; V446-I448 VanDerWaalsContact C-N 3.3Å; V446-I448 PolarHBondContact O-N 3.31Å; I448-Q451 PolarHBondContact O-N 2.81Å; I448-R452 HydrophobicContact CG2-CG 4.47Å; I448-R452 WeakPolarHBondContact O-CB 3.41Å; I448-R452 VanDerWaalsContact O-CG 3.28Å; I448-R452 WeakPolarHBondContact O-CG 3.44Å; I448-R452 PolarHBondContact O-N 2.82Å
449L84.1Confident83.3Confident109 Ų10980.8 Ų80.857%0.57141%0.414SS*.Hα-helixtrans-68.1-41.2174.1-71.6168.7000111.8T445 V446 Q451 R452 L453T445-L449 WeakPolarHBondContact O-CB 3.37Å; T445-L449 VanDerWaalsContact O-CG 3.28Å; T445-L449 WeakPolarHBondContact O-CG 3.31Å; T445-L449 PolarHBondContact O-N 3.03Å; V446-L449 PolarHBondContact O-N 3.02Å; V446-L449 VanDerWaalsContact O-N 3.13Å; L449-Q451 PolarHBondContact O-N 2.7Å; L449-R452 PolarHBondContact O-N 3.47Å; L449-L453 VanDerWaalsContact O-CB 3.26Å; L449-L453 WeakPolarHBondContact O-CB 2.92Å; L449-L453 PolarHBondContact O-N 3.16Å
450E81.5Confident83.4Confident49 Ų4981.3 Ų81.323%0.22942%0.417CS..Hα-helixtrans-59.7-44.8171.8-70.9-164.3147.100111.9K127 F136 S139 Y141 V446 L453 T454K127-E450 WeakPolarHBondContact CE-OE2 3.11Å; K127-E450 IonicContact NZ-OE1 3.79Å; K127-E450 PolarHBondContact NZ-OE1 2.78Å; K127-E450 IonicContact NZ-OE2 3.84Å; K127-E450 PolarHBondContact NZ-OE2 3.28Å; F136-E450 HydrophobicContact CE1-CB 3.95Å; S139-E450 PolarHBondContact OG-OE2 2.52Å; Y141-E450 PolarHBondContact OH-OE2 3.48Å; V446-E450 PolarHBondContact O-N 3.49Å; E450-L453 PolarHBondContact O-N 3.12Å; E450-T454 WeakPolarHBondContact O-CG2 3.49Å; E450-T454 PolarHBondContact O-N 3.39Å; E450-T454 PolarHBondContact O-OG1 2.82Å
451Q79.3Confident83.8Confident66 Ų6683 Ų8331%0.30842%0.421SS..Hα-helixtrans-62.3-40.6175.3-75.2177-21.300112.6F136 L137 S447 I448 L449 T454 L455F136-Q451 HydrophobicContact CD1-CG 4.19Å; F136-Q451 HydrophobicContact CE1-CG 3.66Å; L137-Q451 PolarHBondContact O-NE2 3.47Å; S447-Q451 WeakPolarHBondContact O-CG 3.15Å; S447-Q451 PolarHBondContact O-N 2.97Å; S447-Q451 VanDerWaalsContact O-N 3.12Å; I448-Q451 PolarHBondContact O-N 2.81Å; L449-Q451 PolarHBondContact O-N 2.7Å; Q451-T454 PolarHBondContact O-OG1 2.67Å; Q451-T454 VanDerWaalsContact O-OG1 3.12Å; Q451-L455 WeakPolarHBondContact O-CB 3.39Å; Q451-L455 WeakPolarHBondContact O-CD1 3.26Å; Q451-L455 VanDerWaalsContact O-CG 3.23Å; Q451-L455 WeakPolarHBondContact O-CG 3.48Å; Q451-L455 PolarHBondContact O-N 3.42Å; Q451-L455 VanDerWaalsContact O-N 3.16Å
452R85.8Confident83.8Confident165 Ų16583.3 Ų83.362%0.62342%0.42SS*.Hα-helixtrans-71.1-40.6177.7-75176.1179.4-161.50.6112.3I448 L449 L455 T456I448-R452 HydrophobicContact CG2-CG 4.47Å; I448-R452 WeakPolarHBondContact O-CB 3.41Å; I448-R452 VanDerWaalsContact O-CG 3.28Å; I448-R452 WeakPolarHBondContact O-CG 3.44Å; I448-R452 PolarHBondContact O-N 2.82Å; L449-R452 PolarHBondContact O-N 3.47Å; R452-L455 WeakPolarHBondContact O-CB 3.43Å; R452-L455 PolarHBondContact O-N 3.2Å; R452-T456 PolarHBondContact O-N 3.41Å; R452-T456 PolarHBondContact O-OG1 3.34Å
453L87.5Confident84Confident97 Ų9781.6 Ų81.651%0.50842%0.416SS..Hα-helixtrans-65.2-47.6-180-173.5145.6000111L449 E450 L455 T456 E457L449-L453 VanDerWaalsContact O-CB 3.26Å; L449-L453 WeakPolarHBondContact O-CB 2.92Å; L449-L453 PolarHBondContact O-N 3.16Å; E450-L453 PolarHBondContact O-N 3.12Å; L453-L455 VanDerWaalsContact C-N 3.33Å; L453-L455 PolarHBondContact O-N 3.23Å; L453-T456 WeakPolarHBondContact CA-OG1 3.39Å; L453-T456 PolarHBondContact O-N 2.99Å; L453-T456 PolarHBondContact O-OG1 3.32Å; L453-E457 HydrophobicContact CD2-CG 4.16Å; L453-E457 PolarHBondContact O-N 3.06Å
454T78.2Confident84.6Confident27 Ų2783.3 Ų83.317%0.16642%0.422CS..Hα-helixtrans-60.6-40174.148.10000112.3F136 E450 Q451 T456 E457 D458F136-T454 HydrophobicContact CB-CG2 4.25Å; F136-T454 HydrophobicContact CD1-CG2 4.36Å; E450-T454 WeakPolarHBondContact O-CG2 3.49Å; E450-T454 PolarHBondContact O-N 3.39Å; E450-T454 PolarHBondContact O-OG1 2.82Å; Q451-T454 PolarHBondContact O-OG1 2.67Å; Q451-T454 VanDerWaalsContact O-OG1 3.12Å; T454-T456 VanDerWaalsContact C-N 3.31Å; T454-T456 PolarHBondContact O-N 3.3Å; T454-E457 PolarHBondContact O-N 2.96Å; T454-D458 PolarHBondContact O-N 3.24Å
455L82.6Confident85.2Confident72 Ų7283 Ų8338%0.37742%0.421SS..Hα-helixtrans-62.2-32.4171.6-78.8169.6000113.7Q451 R452 L453 K459Q451-L455 WeakPolarHBondContact O-CB 3.39Å; Q451-L455 WeakPolarHBondContact O-CD1 3.26Å; Q451-L455 VanDerWaalsContact O-CG 3.23Å; Q451-L455 WeakPolarHBondContact O-CG 3.48Å; Q451-L455 PolarHBondContact O-N 3.42Å; Q451-L455 VanDerWaalsContact O-N 3.16Å; R452-L455 WeakPolarHBondContact O-CB 3.43Å; R452-L455 PolarHBondContact O-N 3.2Å; L453-L455 VanDerWaalsContact C-N 3.33Å; L453-L455 PolarHBondContact O-N 3.23Å; L455-K459 WeakPolarHBondContact O-CG 3.42Å; L455-K459 PolarHBondContact O-N 3.09Å
456T82.2Confident85.3Confident86 Ų8684 Ų8453%0.52842%0.424SS..Hα-helixtrans-76.8-36.917447.80000113.1R452 L453 T454 D458 K459 L460R452-T456 PolarHBondContact O-N 3.41Å; R452-T456 PolarHBondContact O-OG1 3.34Å; L453-T456 WeakPolarHBondContact CA-OG1 3.39Å; L453-T456 PolarHBondContact O-N 2.99Å; L453-T456 PolarHBondContact O-OG1 3.32Å; T454-T456 VanDerWaalsContact C-N 3.31Å; T454-T456 PolarHBondContact O-N 3.3Å; T456-D458 VanDerWaalsContact C-N 3.35Å; T456-K459 PolarHBondContact O-N 2.97Å; T456-L460 WeakPolarHBondContact O-CB 3.23Å; T456-L460 PolarHBondContact O-N 2.9Å
457E87.5Confident85.5Confident100 Ų10085.3 Ų85.347%0.46743%0.426SS..Hα-helixtrans-62.1-42.2173.5-70.5-174.3159.400111.5L453 T454 L460 K461L453-E457 HydrophobicContact CD2-CG 4.16Å; L453-E457 PolarHBondContact O-N 3.06Å; T454-E457 PolarHBondContact O-N 2.96Å; E457-L460 PolarHBondContact O-N 3.47Å; E457-K461 WeakPolarHBondContact O-CG 3.37Å; E457-K461 PolarHBondContact O-N 2.72Å
458D81.1Confident86.1Confident36 Ų3691.3 Ų91.319%0.19345%0.452CS..Hα-helixtrans-64.4-46177.6-71.8-14.2000112.2R135 T454 T456 L460 K461 D462R135-D458 WeakPolarHBondContact CD-OD2 3.38Å; R135-D458 WeakPolarHBondContact CG-OD2 3.16Å; T454-D458 PolarHBondContact O-N 3.24Å; T456-D458 VanDerWaalsContact C-N 3.35Å; D458-L460 PolarHBondContact O-N 3.03Å; D458-K461 WeakPolarHBondContact O-CB 3.38Å; D458-K461 PolarHBondContact O-N 3.3Å; D458-K461 VanDerWaalsContact O-N 3.09Å; D458-K461 IonicContact OD1-NZ 3.42Å; D458-K461 PolarHBondContact OD1-NZ 2.9Å; D458-D462 PolarHBondContact O-N 3.23Å
459K88.1Confident86.4Confident152 Ų15292.8 Ų92.866%0.66146%0.455SS*.Hα-helixtrans-59.6-31.5174.1-74.3-178.2178.8-173.60112.8L455 T456 C463L455-K459 WeakPolarHBondContact O-CG 3.42Å; L455-K459 PolarHBondContact O-N 3.09Å; T456-K459 PolarHBondContact O-N 2.97Å; K459-C463 WeakPolarHBondContact O-CB 3.39Å; K459-C463 PolarHBondContact O-N 2.86Å
460L89Confident86.6Confident109 Ų10993.3 Ų93.357%0.57146%0.458SS*.Hα-helixtrans-73.8-37.5176.6-170.5147.2000111.4T456 E457 D458 C463 L464T456-L460 WeakPolarHBondContact O-CB 3.23Å; T456-L460 PolarHBondContact O-N 2.9Å; E457-L460 PolarHBondContact O-N 3.47Å; D458-L460 PolarHBondContact O-N 3.03Å; L460-C463 PolarHBondContact O-N 3.14Å; L460-L464 HydrophobicContact CD2-CD1 3.67Å; L460-L464 HydrophobicContact CD2-CG 4.28Å; L460-L464 WeakPolarHBondContact O-CG 3.42Å; L460-L464 PolarHBondContact O-N 3.29Å
461K86.5Confident86.9Confident103 Ų10398 Ų9845%0.44848%0.478SS..Hα-helixtrans-61.5-48.8169.6-63.3163.8-155.8159.10111.4E457 D458 C463 L464 E465E457-K461 WeakPolarHBondContact O-CG 3.37Å; E457-K461 PolarHBondContact O-N 2.72Å; D458-K461 WeakPolarHBondContact O-CB 3.38Å; D458-K461 PolarHBondContact O-N 3.3Å; D458-K461 VanDerWaalsContact O-N 3.09Å; D458-K461 IonicContact OD1-NZ 3.42Å; D458-K461 PolarHBondContact OD1-NZ 2.9Å; K461-C463 PolarHBondContact O-N 2.99Å; K461-L464 PolarHBondContact O-N 3.39Å; K461-L464 VanDerWaalsContact O-N 3.14Å; K461-E465 PolarHBondContact O-N 3.02Å
462D88.9Confident87.2Confident94 Ų9497.6 Ų97.650%0.50348%0.482SS..Hα-helixtrans-55.4-42.3176.6-71.6-22.5000111.1D458 N466D458-D462 PolarHBondContact O-N 3.23Å; D462-N466 WeakPolarHBondContact O-CB 3.38Å; D462-N466 PolarHBondContact O-N 3.25Å; D462-N466 PolarHBondContact O-ND2 2.91Å; D462-N466 VanDerWaalsContact O-ND2 3.07Å
463C89.4Confident87Confident68 Ų6891.9 Ų91.946%0.45947%0.47SS..Hα-helixtrans-64.1-47.1176.5-168.40000112.2K459 L460 K461 N466 Q467K459-C463 WeakPolarHBondContact O-CB 3.39Å; K459-C463 PolarHBondContact O-N 2.86Å; L460-C463 PolarHBondContact O-N 3.14Å; K461-C463 PolarHBondContact O-N 2.99Å; C463-N466 PolarHBondContact O-N 3.34Å; C463-Q467 WeakPolarHBondContact O-CG 3.48Å; C463-Q467 PolarHBondContact O-N 2.89Å
464L90.8Very high86.8Confident89 Ų8991.9 Ų91.947%0.46648%0.475SS..Hα-helixtrans-63.9-41.5177.7-72.6173000112.4L460 K461 N466 Q467 Q468L460-L464 HydrophobicContact CD2-CD1 3.67Å; L460-L464 HydrophobicContact CD2-CG 4.28Å; L460-L464 WeakPolarHBondContact O-CG 3.42Å; L460-L464 PolarHBondContact O-N 3.29Å; K461-L464 PolarHBondContact O-N 3.39Å; K461-L464 VanDerWaalsContact O-N 3.14Å; L464-N466 VanDerWaalsContact C-N 3.33Å; L464-N466 PolarHBondContact O-N 3.06Å; L464-Q467 PolarHBondContact O-N 2.7Å; L464-Q468 WeakPolarHBondContact O-CG 3.47Å; L464-Q468 PolarHBondContact O-N 3.07Å
465E90.3Very high86.6Confident98 Ų9897.7 Ų97.746%0.45850%0.5SS..Hα-helixtrans-60.8-42.8173.1-84.4-159.7-159.900111.8K461 Q468 K469K461-E465 PolarHBondContact O-N 3.02Å; E465-Q468 PolarHBondContact O-N 3.48Å; E465-K469 WeakPolarHBondContact O-CB 3.45Å; E465-K469 WeakPolarHBondContact O-CD 3.31Å; E465-K469 WeakPolarHBondContact O-CG 3.49Å; E465-K469 PolarHBondContact O-N 3.3Å; E465-K469 WeakPolarHBondContact OE2-CE 3.41Å; E465-K469 IonicContact OE2-NZ 3.88Å; E465-K469 PolarHBondContact OE2-NZ 2.97Å
466N90.5Very high86.1Confident86 Ų86102.2 Ų102.246%0.4652%0.519SS..Hα-helixtrans-68.8-34.8179-70-25.4000111.9D462 C463 L464 K469 L470D462-N466 WeakPolarHBondContact O-CB 3.38Å; D462-N466 PolarHBondContact O-N 3.25Å; D462-N466 PolarHBondContact O-ND2 2.91Å; D462-N466 VanDerWaalsContact O-ND2 3.07Å; C463-N466 PolarHBondContact O-N 3.34Å; L464-N466 VanDerWaalsContact C-N 3.33Å; L464-N466 PolarHBondContact O-N 3.06Å; N466-K469 PolarHBondContact O-N 2.89Å; N466-L470 WeakPolarHBondContact O-CB 3.21Å; N466-L470 VanDerWaalsContact O-CG 3.31Å; N466-L470 WeakPolarHBondContact O-CG 3.37Å; N466-L470 PolarHBondContact O-N 3.49Å
467Q90.3Very high85.6Confident96 Ų96107.2 Ų107.245%0.44953%0.533SS..Hα-helixtrans-62.7-46.7168.7-73.5-178.7-500111.8C463 L464 K469 L470 F471C463-Q467 WeakPolarHBondContact O-CG 3.48Å; C463-Q467 PolarHBondContact O-N 2.89Å; L464-Q467 PolarHBondContact O-N 2.7Å; Q467-K469 VanDerWaalsContact C-N 3.35Å; Q467-K469 PolarHBondContact O-N 2.98Å; Q467-L470 PolarHBondContact O-N 3.43Å; Q467-F471 VanDerWaalsContact O-CD2 3.24Å; Q467-F471 WeakPolarHBondContact O-CD2 3.35Å; Q467-F471 PolarHBondContact O-N 3.45Å
468Q90.4Very high84.1Confident143 Ų143109.4 Ų109.467%0.66856%0.56SS**Hα-helixtrans-60.4-42.2176.3-75.3-175.8-9.900112.3L464 E465 L470 F471 S472L464-Q468 WeakPolarHBondContact O-CG 3.47Å; L464-Q468 PolarHBondContact O-N 3.07Å; E465-Q468 PolarHBondContact O-N 3.48Å; Q468-L470 PolarHBondContact O-N 2.92Å; Q468-F471 PolarHBondContact O-N 3.35Å; Q468-S472 PolarHBondContact O-N 3.5Å; Q468-S472 PolarHBondContact O-OG 3.36Å
469K89.4Confident84.2Confident103 Ų103113.1 Ų113.145%0.44858%0.578SS.*Hα-helixtrans-59.4-46.8174.8-70.1159.5-162.1164.40110.6E465 N466 Q467 S472 A473E465-K469 WeakPolarHBondContact O-CB 3.45Å; E465-K469 WeakPolarHBondContact O-CD 3.31Å; E465-K469 WeakPolarHBondContact O-CG 3.49Å; E465-K469 PolarHBondContact O-N 3.3Å; E465-K469 WeakPolarHBondContact OE2-CE 3.41Å; E465-K469 IonicContact OE2-NZ 3.88Å; E465-K469 PolarHBondContact OE2-NZ 2.97Å; N466-K469 PolarHBondContact O-N 2.89Å; Q467-K469 VanDerWaalsContact C-N 3.35Å; Q467-K469 PolarHBondContact O-N 2.98Å; K469-S472 PolarHBondContact O-N 3.41Å; K469-S472 PolarHBondContact O-OG 3.38Å; K469-A473 WeakPolarHBondContact O-CB 3.45Å; K469-A473 PolarHBondContact O-N 2.81Å
470L89.2Confident84Confident121 Ų121111 Ų11163%0.63457%0.574SS**Hα-helixtrans-61.5-46.4175.5-73.3169.4000112.8N466 Q467 Q468 S472 A473 V474N466-L470 WeakPolarHBondContact O-CB 3.21Å; N466-L470 VanDerWaalsContact O-CG 3.31Å; N466-L470 WeakPolarHBondContact O-CG 3.37Å; N466-L470 PolarHBondContact O-N 3.49Å; Q467-L470 PolarHBondContact O-N 3.43Å; Q468-L470 PolarHBondContact O-N 2.92Å; L470-S472 PolarHBondContact O-N 2.86Å; L470-A473 PolarHBondContact O-N 2.96Å; L470-V474 WeakPolarHBondContact O-CG2 3.35Å; L470-V474 PolarHBondContact O-N 3.22Å
471F87.8Confident83.7Confident146 Ų146111.1 Ų111.164%0.6457%0.574SS**Hα-helixtrans-59.1-45.5175.9-84.4-67.5000111.7Q467 Q468 A473 V474 Q475Q467-F471 VanDerWaalsContact O-CD2 3.24Å; Q467-F471 WeakPolarHBondContact O-CD2 3.35Å; Q467-F471 PolarHBondContact O-N 3.45Å; Q468-F471 PolarHBondContact O-N 3.35Å; F471-A473 VanDerWaalsContact C-N 3.32Å; F471-A473 PolarHBondContact O-N 3.37Å; F471-V474 PolarHBondContact O-N 2.92Å; F471-Q475 WeakPolarHBondContact O-CB 3.24Å; F471-Q475 PolarHBondContact O-N 3.23Å
472S84.6Confident83.6Confident58 Ų58111.6 Ų111.641%0.40658%0.581SS.*Hα-helixtrans-64.2-35.6177.471.50000112.9Q468 K469 L470 Q475 Q476Q468-S472 PolarHBondContact O-N 3.5Å; Q468-S472 PolarHBondContact O-OG 3.36Å; K469-S472 PolarHBondContact O-N 3.41Å; K469-S472 PolarHBondContact O-OG 3.38Å; L470-S472 PolarHBondContact O-N 2.86Å; S472-Q475 PolarHBondContact O-N 3.22Å; S472-Q476 WeakPolarHBondContact O-CG 3.44Å; S472-Q476 PolarHBondContact O-N 3.03Å
473A83Confident83.2Confident45 Ų45112.7 Ų112.737%0.37259%0.586SS.*Hα-helixtrans-74-24.1176.800000113.8K469 L470 F471 K477K469-A473 WeakPolarHBondContact O-CB 3.45Å; K469-A473 PolarHBondContact O-N 2.81Å; L470-A473 PolarHBondContact O-N 2.96Å; F471-A473 VanDerWaalsContact C-N 3.32Å; F471-A473 PolarHBondContact O-N 3.37Å; A473-K477 WeakPolarHBondContact O-CG 3.43Å
474V82.7Confident82.8Confident98 Ų98115.7 Ų115.759%0.59459%0.594SS**Hα-helixtrans-75.2-45.8168.1171.10000109.9L470 F471 Q476 K477 S478L470-V474 WeakPolarHBondContact O-CG2 3.35Å; L470-V474 PolarHBondContact O-N 3.22Å; F471-V474 PolarHBondContact O-N 2.92Å; V474-Q476 PolarHBondContact O-N 2.92Å; V474-K477 PolarHBondContact O-N 3.22Å; V474-S478 PolarHBondContact O-N 3.34Å
475Q74Confident82.3Confident149 Ų149117.6 Ų117.670%0.69660%0.604SS**Hα-helixtrans-71.2-10.4-177.8-160.5170.520.200114.1F471 S472F471-Q475 WeakPolarHBondContact O-CB 3.24Å; F471-Q475 PolarHBondContact O-N 3.23Å; S472-Q475 PolarHBondContact O-N 3.22Å
476Q72.7Confident81.6Confident166 Ų166119.1 Ų119.178%0.77662%0.615SS**THydrogen-bonded Turntrans-93-2167.6-75.2179.6-7.700113.7S472 V474S472-Q476 WeakPolarHBondContact O-CG 3.44Å; S472-Q476 PolarHBondContact O-N 3.03Å; V474-Q476 PolarHBondContact O-N 2.92Å
477K71Confident80.9Confident191 Ų191121.8 Ų121.883%0.8363%0.628SS**  trans-114.9-1.5178.6-70.1-178.6178.2-175.80113.5A473 V474A473-K477 WeakPolarHBondContact O-CG 3.43Å; V474-K477 PolarHBondContact O-N 3.22Å
478S55.6Low80Confident146 Ų146124.2 Ų124.2100%1.02164%0.644SS**  trans-103.90171.260.10000110.3V474V474-S478 PolarHBondContact O-N 3.34Å

Retrieved 478 of 478 residues in 3190.5 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).