A0A060XEU5_ONCMY Loading...

Bardet-Biedl syndrome 2 protein homolog

AlphaFold DB , UniProt , Accession A0A060XEU5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110520245, Length 717 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56.8Low86.1Confident126 Ų12664 Ų6462%0.62134%0.34SS*.  0132.40-152.8172.8-75.900111.2D330M1-D330 PolarHBondContact N-OD2 3.34Å
2L73.5Confident86.5Confident21 Ų2160.8 Ų60.811%0.1132%0.321CS..  trans-62.1135.8172.4-72.3165.3000109.7L252 F281 A320 L328L2-L252 HydrophobicContact CD1-CD1 3.77Å; L2-L252 HydrophobicContact CD1-CD2 3.85Å; L2-L252 HydrophobicContact CD1-CG 3.55Å; L2-F281 HydrophobicContact CB-CD2 4.01Å; L2-F281 HydrophobicContact CB-CE2 3.66Å; L2-F281 HydrophobicContact CB-CZ 4.42Å; L2-F281 HydrophobicContact CD1-CD2 4.12Å; L2-F281 HydrophobicContact CD1-CE2 4.47Å; L2-F281 HydrophobicContact CG-CD2 4.47Å; L2-A320 HydrophobicContact CD1-CB 4.44Å; L2-A320 HydrophobicContact CD2-CB 3.85Å; L2-A320 HydrophobicContact CG-CB 4.49Å; L2-L328 HydrophobicContact CG-CD2 4.13Å
3V84.6Confident87.1Confident108 Ų10862.4 Ų62.466%0.65532%0.324SS*.  trans-108.6141.7-179.7-179.90000108I5V3-I5 PolarHBondContact O-N 3.08Å
4P88.8Confident87.7Confident40 Ų4058.1 Ų58.126%0.2630%0.302SS..  trans-58.2125.5174.224.6-35.1000110.4F6 R315 G316 Y317P4-F6 VanDerWaalsContact C-N 3.27Å; P4-R315 HydrophobicContact CB-CB 4.07Å; P4-R315 HydrophobicContact CB-CG 4.4Å; P4-G316 CarbonylContact C-O 3.5Å; P4-G316 WeakPolarHBondContact CA-O 3.45Å; P4-Y317 HydrophobicContact CB-CD1 4.41Å; P4-Y317 HydrophobicContact CB-CE1 3.94Å; P4-Y317 HydrophobicContact CG-CE1 4.49Å
5I92.6Very high88.2Confident54 Ų5456.9 Ų56.928%0.27730%0.296SS..SBendtrans-74.1-21.7179.351.3146.8000112.5V3 Q304 G316 L318V3-I5 PolarHBondContact O-N 3.08Å; I5-Q304 HydrophobicContact CD1-CB 4.39Å; I5-Q304 HydrophobicContact CD1-CG 3.7Å; I5-G316 VanDerWaalsContact CG1-C 3.43Å; I5-G316 WeakPolarHBondContact CG1-O 3.19Å; I5-G316 PolarHBondContact N-O 2.78Å; I5-L318 HydrophobicContact CD1-CG 3.98Å; I5-L318 HydrophobicContact CG2-CB 4.27Å; I5-L318 HydrophobicContact CG2-CD1 4.15Å; I5-L318 HydrophobicContact CG2-CG 4.13Å
6F92.2Very high88.6Confident33 Ų3356.3 Ų56.315%0.14530%0.296CS..EExtended strand (participates in β ladder)trans-151.1152.5166.667.3-95.9000109.2P4 L8 Y297 R298 I306 V314 R315 G316P4-F6 VanDerWaalsContact C-N 3.27Å; F6-L8 HydrophobicContact CD2-CD2 4.2Å; F6-L8 HydrophobicContact CE2-CD2 4.1Å; F6-Y297 AromaticContact CE1-CD1 3.77Å; F6-Y297 HydrophobicContact CE1-CD1 3.77Å; F6-Y297 HydrophobicContact CE1-CG 4.48Å; F6-Y297 AromaticContact CE2-CD1 3.95Å; F6-Y297 HydrophobicContact CE2-CD1 3.95Å; F6-Y297 AromaticContact CE2-CE1 3.93Å; F6-Y297 HydrophobicContact CE2-CE1 3.93Å; F6-Y297 AromaticContact CZ-CD1 3.42Å; F6-Y297 HydrophobicContact CZ-CD1 3.42Å; F6-Y297 VanDerWaalsContact CZ-CD1 3.42Å; F6-Y297 AromaticContact CZ-CE1 3.9Å; F6-Y297 HydrophobicContact CZ-CE1 3.9Å; F6-Y297 HydrophobicContact CZ-CG 4.08Å; F6-R298 HydrophobicContact CD1-CG 4.22Å; F6-R298 HydrophobicContact CE1-CG 4.41Å; F6-I306 HydrophobicContact CZ-CG1 4.13Å; F6-V314 HydrophobicContact CE2-CG1 4.2Å; F6-R315 WeakPolarHBondContact O-CA 3.36Å; F6-G316 PolarHBondContact O-N 3.19Å
7T93.6Very high88.8Confident80 Ų8057.6 Ų57.649%0.49130%0.297SS..EExtended strand (participates in β ladder)trans-134.8131170.6-57.60000107.8V314 R315T7-V314 CarbonylContact C-O 3.56Å; T7-V314 WeakPolarHBondContact CA-O 3.44Å; T7-R315 HydrophobicContact CG2-CG 4.03Å
8L93.2Very high89.2Confident38 Ų3855.9 Ų55.920%0.19929%0.287CS..EExtended strand (participates in β ladder)trans-134.7156.8174.965.384.9000110.2F6 L10 Y297 V314F6-L8 HydrophobicContact CD2-CD2 4.2Å; F6-L8 HydrophobicContact CE2-CD2 4.1Å; L8-L10 HydrophobicContact CD1-CD1 4.3Å; L8-L10 HydrophobicContact CD1-CD2 3.46Å; L8-L10 VanDerWaalsContact CD1-CD2 3.46Å; L8-L10 HydrophobicContact CD1-CG 3.55Å; L8-Y297 HydrophobicContact CD2-CE1 4.03Å; L8-Y297 WeakPolarHBondContact CD2-OH 3.46Å; L8-V314 HydrophobicContact CD1-CB 3.57Å; L8-V314 HydrophobicContact CD1-CG1 4.37Å; L8-V314 HydrophobicContact CD1-CG2 3.66Å; L8-V314 HydrophobicContact CG-CB 3.8Å; L8-V314 HydrophobicContact CG-CG1 4.35Å; L8-V314 HydrophobicContact CG-CG2 4.44Å; L8-V314 PolarHBondContact N-O 3.17Å; L8-V314 PolarHBondContact O-N 2.86Å
9K93.1Very high89.6Confident105 Ų10553.7 Ų53.746%0.45728%0.277SS..EExtended strand (participates in β ladder)trans-122.9110.3178.7-177.661.9168.3-176.40108.9E311 E313K9-E311 WeakPolarHBondContact CE-O 3.34Å; K9-E311 PolarHBondContact NZ-O 2.71Å; K9-E313 HydrophobicContact CD-CB 4.26Å
10L90.8Very high90Very high1 Ų151.8 Ų51.81%0.00527%0.268CS..  trans-81.7132.8171.9-54.1176000108.3L8 H12 I14 L31 F41 H43 I66 G312 V314L8-L10 HydrophobicContact CD1-CD1 4.3Å; L8-L10 HydrophobicContact CD1-CD2 3.46Å; L8-L10 VanDerWaalsContact CD1-CD2 3.46Å; L8-L10 HydrophobicContact CD1-CG 3.55Å; L10-H12 PolarHBondContact O-N 3.16Å; L10-I14 HydrophobicContact CD1-CD1 4.47Å; L10-L31 HydrophobicContact CD1-CD2 4.23Å; L10-F41 HydrophobicContact CD1-CE2 3.55Å; L10-F41 HydrophobicContact CD1-CZ 3.62Å; L10-H43 HydrophobicContact CD2-CB 4.41Å; L10-H43 WeakPolarHBondContact CD2-CD2 3.48Å; L10-I66 HydrophobicContact CD2-CD1 3.91Å; L10-G312 WeakPolarHBondContact CB-O 3.43Å; L10-G312 PolarHBondContact N-O 2.91Å; L10-V314 HydrophobicContact CD1-CG2 3.77Å; L10-V314 HydrophobicContact CG-CG2 4.08Å
11N88.3Confident90.2Very high98 Ų9850.5 Ų50.552%0.52426%0.261SS..SBendtrans-7928178.2-67.5-40.4000113Q62N11-Q62 PolarHBondContact O-OE1 3.22Å
12H90.9Very high92Very high25 Ų2544.7 Ų44.712%0.11623%0.233CC..SBendtrans-127.7135.8-178.9-65.9-77.6000110.2L10 F41 S60 G312L10-H12 PolarHBondContact O-N 3.16Å; H12-F41 HydrophobicContact CB-CD1 4.06Å; H12-F41 HydrophobicContact CB-CE1 4.15Å; H12-S60 PolarHBondContact NE2-OG 2.95Å; H12-G312 WeakPolarHBondContact O-CA 3.33Å
13K94.1Very high92.9Very high82 Ų8248 Ų4836%0.35725%0.247SC..PPolyproline II helixtrans-74.5134.1171.7-69.3-178.9178.7-105.50109.8T35 Q36 V310 E311K13-T35 WeakPolarHBondContact O-CA 3.13Å; K13-T35 VanDerWaalsContact O-CB 3.28Å; K13-T35 WeakPolarHBondContact O-CB 3.39Å; K13-T35 PolarHBondContact O-OG1 2.92Å; K13-Q36 HydrophobicContact CB-CG 4.28Å; K13-Q36 VanDerWaalsContact CD-NE2 3.28Å; K13-V310 CarbonylContact C-O 3.59Å; K13-V310 VanDerWaalsContact CA-O 3.27Å; K13-V310 WeakPolarHBondContact CA-O 3.42Å; K13-E311 VanDerWaalsContact NZ-CD 3.33Å; K13-E311 IonicContact NZ-OE1 3.2Å; K13-E311 PolarHBondContact NZ-OE1 2.68Å; K13-E311 IonicContact NZ-OE2 3.07Å; K13-E311 PolarHBondContact NZ-OE2 2.8Å; K13-E311 VanDerWaalsContact NZ-OE2 3.07Å
14I96.1Very high93.3Very high2 Ų243 Ų431%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-101.1129.6-175.6-55.6-174.5000109.2L10 V19 A33 F41 A290 V310L10-I14 HydrophobicContact CD1-CD1 4.47Å; I14-V19 HydrophobicContact CG2-CG2 3.54Å; I14-A33 HydrophobicContact CG2-CB 3.74Å; I14-F41 HydrophobicContact CD1-CE1 4.41Å; I14-F41 HydrophobicContact CD1-CZ 3.95Å; I14-F41 HydrophobicContact CG1-CE1 3.94Å; I14-F41 HydrophobicContact CG1-CZ 4Å; I14-A290 HydrophobicContact CB-CB 3.9Å; I14-A290 HydrophobicContact CG2-CB 3.62Å; I14-V310 PolarHBondContact N-O 2.93Å
15N95.4Very high93.3Very high40 Ų4042.4 Ų42.421%0.21421%0.211CC..EExtended strand (participates in β ladder)trans-73131.3172.4-67.7-6.5000109.6M18 A34N15-M18 HydrophobicContact CB-CB 4.26Å; N15-M18 HydrophobicContact CB-CE 4.36Å; N15-M18 HydrophobicContact CB-CG 4.31Å; N15-M18 HydrophobicContact CB-SD 3.54Å; N15-M18 VanDerWaalsContact CB-SD 3.54Å; N15-M18 PolarHBondContact O-N 3.4Å; N15-A34 HydrophobicContact CB-CB 4.26Å; N15-A34 PolarHBondContact N-O 3.44Å
16P93.9Very high93.1Very high47 Ų4741.4 Ų41.431%0.30521%0.214SC..EExtended strand (participates in β ladder)trans-57.7145.6177.6-22.331.5000112.4M18 M245 A290 V310P16-M18 PolarHBondContact O-N 3.09Å; P16-M18 VanDerWaalsContact O-N 3.13Å; P16-M245 HydrophobicContact CB-CE 3.4Å; P16-M245 VanDerWaalsContact CB-CE 3.4Å; P16-M245 HydrophobicContact CG-CE 3.73Å; P16-A290 WeakPolarHBondContact CA-O 3.49Å; P16-V310 HydrophobicContact CG-CG2 4.05Å
17R92.5Very high93Very high79 Ų7944.7 Ų44.730%0.29823%0.232SC..EExtended strand (participates in β ladder)trans64.14.9179.7-55.5180-173.9167.88.7116T207 M245 A290R17-T207 PolarHBondContact NH1-O 3.43Å; R17-T207 VanDerWaalsContact NH2-CB 3.28Å; R17-M245 WeakPolarHBondContact CG-O 3.41Å; R17-M245 PolarHBondContact NE-O 2.81Å; R17-A290 PolarHBondContact N-O 3.25Å
18M95.4Very high92.9Very high27 Ų2743.3 Ų43.313%0.13322%0.22CC..EExtended strand (participates in β ladder)trans-115.552.1-179.3-58.1172.2-16100109.9N15 P16 A33 A34 V75 S76 L78N15-M18 HydrophobicContact CB-CB 4.26Å; N15-M18 HydrophobicContact CB-CE 4.36Å; N15-M18 HydrophobicContact CB-CG 4.31Å; N15-M18 HydrophobicContact CB-SD 3.54Å; N15-M18 VanDerWaalsContact CB-SD 3.54Å; N15-M18 PolarHBondContact O-N 3.4Å; P16-M18 PolarHBondContact O-N 3.09Å; P16-M18 VanDerWaalsContact O-N 3.13Å; M18-A33 CarbonylContact O-C 3.59Å; M18-A33 WeakPolarHBondContact O-CA 3.48Å; M18-A33 WeakPolarHBondContact O-CB 3.33Å; M18-A34 HydrophobicContact CB-CB 3.59Å; M18-A34 HydrophobicContact CG-CB 4.27Å; M18-A34 PolarHBondContact O-N 3.07Å; M18-A34 HydrophobicContact SD-CB 3.73Å; M18-V75 WeakPolarHBondContact CE-O 3.35Å; M18-V75 HydrophobicContact SD-CB 4.19Å; M18-V75 HydrophobicContact SD-CG1 4.05Å; M18-S76 WeakPolarHBondContact CE-O 3.4Å; M18-L78 HydrophobicContact CB-CB 4.24Å
19V97.1Very high92.9Very high15 Ų1541.6 Ų41.69%0.09121%0.211CC..EExtended strand (participates in β ladder)trans-127.9130.7-179.1-174.70000107.7I14 L31 T32 A33 A290 V293 T308I14-V19 HydrophobicContact CG2-CG2 3.54Å; V19-L31 HydrophobicContact CG1-CD1 3.84Å; V19-T32 WeakPolarHBondContact CA-O 3.43Å; V19-A33 HydrophobicContact CB-CB 4.42Å; V19-A33 HydrophobicContact CG1-CB 4.44Å; V19-A33 HydrophobicContact CG2-CB 3.98Å; V19-A290 HydrophobicContact CG2-CB 4.43Å; V19-V293 HydrophobicContact CB-CG1 4.48Å; V19-V293 HydrophobicContact CG1-CG1 4.08Å; V19-T308 HydrophobicContact CG1-CG2 4.1Å
20T96.8Very high93Very high15 Ų1536.7 Ų36.79%0.09219%0.19CC..EExtended strand (participates in β ladder)trans-144.7169.3176.2-161.60000110.4T32 L78 A80 L92T20-T32 PolarHBondContact N-O 3.19Å; T20-T32 PolarHBondContact O-N 3.02Å; T20-T32 VanDerWaalsContact O-O 3.08Å; T20-L78 HydrophobicContact CG2-CD2 3.28Å; T20-L78 HydrophobicContact CG2-CG 4.49Å; T20-A80 HydrophobicContact CG2-CB 3.72Å; T20-A80 PolarHBondContact OG1-N 3.39Å; T20-L92 HydrophobicContact CG2-CD1 4.39Å
21M95.1Very high93.2Very high25 Ų2536.7 Ų36.712%0.12319%0.19CC..EExtended strand (participates in β ladder)trans-126.2140.2169.3-85.8-172.361.400109.9P29 C30 L31 V293 Y297 I306M21-P29 HydrophobicContact CE-CB 3.6Å; M21-C30 WeakPolarHBondContact CA-O 3.41Å; M21-L31 HydrophobicContact CG-CD1 4.06Å; M21-V293 HydrophobicContact CG-CG2 3.88Å; M21-V293 HydrophobicContact SD-CG2 3.96Å; M21-Y297 HydrophobicContact CE-CD2 4.29Å; M21-I306 HydrophobicContact CE-CD1 4Å; M21-I306 HydrophobicContact SD-CD1 3.21Å; M21-I306 WeakPolarHBondContact SD-CD1 3.28Å; M21-I306 HydrophobicContact SD-CG1 4.49Å
22G93.6Very high93.6Very high3 Ų332 Ų323%0.03117%0.165CC..EExtended strand (participates in β ladder)trans-149.5150.8176.200000111.6F24 C30 D90G22-F24 PolarHBondContact O-N 2.89Å; G22-C30 PolarHBondContact N-O 2.91Å; G22-C30 PolarHBondContact O-N 2.99Å; G22-D90 VanDerWaalsContact CA-OD2 3.31Å; G22-D90 WeakPolarHBondContact CA-OD2 3.49Å
23K94Very high93.9Very high91 Ų9130.9 Ų30.940%0.39616%0.16SC..  trans-94.878.6170.2-65.9-179.5-178.7-178.20108.9D25 G26 P29 G89 D90K23-D25 VanDerWaalsContact C-N 3.33Å; K23-D25 PolarHBondContact O-N 2.86Å; K23-G26 PolarHBondContact O-N 2.91Å; K23-P29 HydrophobicContact CG-CB 4.28Å; K23-G89 VanDerWaalsContact O-CA 3.29Å; K23-G89 WeakPolarHBondContact O-CA 3.34Å; K23-D90 PolarHBondContact N-OD2 2.91Å; K23-D90 PolarHBondContact O-N 3.41Å
24F92.4Very high94Very high2 Ų227 Ų271%0.00914%0.143CC..THydrogen-bonded Turntrans-66.3-34-172.7-62.3-57.8000113.9G22 G26 C30 T32 I42 A80 D90 L92 V105 H106G22-F24 PolarHBondContact O-N 2.89Å; F24-G26 VanDerWaalsContact C-N 3.27Å; F24-C30 HydrophobicContact CD2-CB 3.76Å; F24-C30 HydrophobicContact CE2-CB 3.81Å; F24-T32 WeakPolarHBondContact CE2-OG1 3.47Å; F24-T32 WeakPolarHBondContact CZ-OG1 3.49Å; F24-I42 HydrophobicContact CD2-CG2 4.04Å; F24-I42 HydrophobicContact CE2-CG1 4.49Å; F24-I42 HydrophobicContact CE2-CG2 3.88Å; F24-A80 HydrophobicContact CE1-CB 4.16Å; F24-A80 HydrophobicContact CZ-CB 4.37Å; F24-D90 HydrophobicContact CD1-CB 4.46Å; F24-D90 WeakPolarHBondContact CD1-O 3.42Å; F24-L92 HydrophobicContact CE1-CB 3.77Å; F24-L92 HydrophobicContact CE1-CD1 4.42Å; F24-L92 HydrophobicContact CZ-CB 4.33Å; F24-L92 HydrophobicContact CZ-CD1 4.26Å; F24-V105 HydrophobicContact CB-CB 3.72Å; F24-V105 HydrophobicContact CB-CG1 3.78Å; F24-V105 HydrophobicContact CD1-CB 3.82Å; F24-V105 HydrophobicContact CD1-CG1 4.4Å; F24-V105 HydrophobicContact CD1-CG2 3.78Å; F24-V105 HydrophobicContact CD2-CB 4.21Å; F24-V105 HydrophobicContact CD2-CG1 3.88Å; F24-V105 HydrophobicContact CD2-CG2 4.36Å; F24-V105 HydrophobicContact CE1-CG2 4.04Å; F24-V105 HydrophobicContact CG-CB 3.63Å; F24-V105 HydrophobicContact CG-CG1 3.75Å; F24-V105 HydrophobicContact CG-CG2 3.98Å; F24-V105 HydrophobicContact CZ-CG2 4.43Å; F24-H106 WeakPolarHBondContact O-CB 3.21Å
25D89.1Confident93.9Very high28 Ų2827.4 Ų27.415%0.1515%0.145CC..THydrogen-bonded Turntrans-90.612.117463.90.1000112.9K23 I27 H28 H106K23-D25 VanDerWaalsContact C-N 3.33Å; K23-D25 PolarHBondContact O-N 2.86Å; D25-I27 PolarHBondContact O-N 3.06Å; D25-I27 PolarHBondContact OD1-N 2.98Å; D25-H28 PolarHBondContact OD1-N 2.91Å; D25-H28 IonicContact OD1-ND1 2.73Å; D25-H28 IonicContact OD2-CE1 3.71Å; D25-H28 IonicContact OD2-CG 3.22Å; D25-H28 IonicContact OD2-ND1 2.93Å; D25-H28 PolarHBondContact OD2-ND1 2.92Å; D25-H106 WeakPolarHBondContact CB-ND1 3.35Å
26G88.1Confident93.5Very high34 Ų3431.1 Ų31.135%0.35116%0.162SC..SBendtrans79.7-13-177.300000115K23 F24 T88K23-G26 PolarHBondContact O-N 2.91Å; F24-G26 VanDerWaalsContact C-N 3.27Å; G26-T88 VanDerWaalsContact CA-O 3.24Å; G26-T88 WeakPolarHBondContact CA-O 3.37Å
27I90Very high93.2Very high102 Ų10233.2 Ų33.252%0.52318%0.183SC..SBendtrans-123.8-56.2-170.5-57.5176.1000111.2D25 M299D25-I27 PolarHBondContact O-N 3.06Å; D25-I27 PolarHBondContact OD1-N 2.98Å; I27-M299 HydrophobicContact CG2-CE 3.79Å
28H91.5Very high92.9Very high50 Ų5029.9 Ų29.923%0.23117%0.173CC..SBendtrans-91.9120.4-169.3-57.7106.4000111.6D25 C30 H46D25-H28 PolarHBondContact OD1-N 2.91Å; D25-H28 IonicContact OD1-ND1 2.73Å; D25-H28 IonicContact OD2-CE1 3.71Å; D25-H28 IonicContact OD2-CG 3.22Å; D25-H28 IonicContact OD2-ND1 2.93Å; D25-H28 PolarHBondContact OD2-ND1 2.92Å; H28-C30 PolarHBondContact O-N 3.29Å; H28-C30 PolarHBondContact O-SG 3.22Å; H28-H46 HydrophobicContact CB-CB 4.35Å; H28-H46 AromaticContact CD2-CG 3.92Å
29P93.1Very high92.9Very high3 Ų331.9 Ų31.92%0.01918%0.181CC..  trans-71.4129.617621.5-21.9000110.5M21 K23 D296 M299M21-P29 HydrophobicContact CE-CB 3.6Å; K23-P29 HydrophobicContact CG-CB 4.28Å; P29-D296 WeakPolarHBondContact CG-O 3.42Å; P29-M299 WeakPolarHBondContact CD-SD 3.38Å; P29-M299 HydrophobicContact CG-CG 4.47Å; P29-M299 HydrophobicContact CG-SD 4.11Å
30C94.7Very high92.8Very high2 Ų231.2 Ų31.21%0.01418%0.177CC..EExtended strand (participates in β ladder)trans-119.7132.1-178.6-62.90000109.8M21 G22 F24 H28 I42 H43 N44M21-C30 WeakPolarHBondContact CA-O 3.41Å; G22-C30 PolarHBondContact N-O 2.91Å; G22-C30 PolarHBondContact O-N 2.99Å; F24-C30 HydrophobicContact CD2-CB 3.76Å; F24-C30 HydrophobicContact CE2-CB 3.81Å; H28-C30 PolarHBondContact O-N 3.29Å; H28-C30 PolarHBondContact O-SG 3.22Å; C30-I42 HydrophobicContact CB-CG2 3.81Å; C30-H43 WeakPolarHBondContact CA-O 3.36Å; C30-N44 VanDerWaalsContact SG-CB 3.59Å; C30-N44 VanDerWaalsContact SG-CG 3.53Å; C30-N44 PolarHBondContact SG-ND2 2.89Å
31L96.1Very high92.7Very high1 Ų130.5 Ų30.51%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-81.1122.7173.5178.466.7000108.7L10 V19 M21 H43 V293 Y297 T308 V314L10-L31 HydrophobicContact CD1-CD2 4.23Å; V19-L31 HydrophobicContact CG1-CD1 3.84Å; M21-L31 HydrophobicContact CG-CD1 4.06Å; L31-H43 HydrophobicContact CB-CB 4.45Å; L31-H43 PolarHBondContact N-O 3.3Å; L31-H43 PolarHBondContact O-N 2.82Å; L31-V293 HydrophobicContact CD1-CG2 4.19Å; L31-Y297 HydrophobicContact CB-CE2 4.06Å; L31-T308 HydrophobicContact CD1-CG2 4.25Å; L31-T308 HydrophobicContact CD2-CG2 4.01Å; L31-V314 HydrophobicContact CD2-CG1 4.01Å; L31-V314 HydrophobicContact CD2-CG2 3.93Å
32T96.7Very high92.7Very high0 Ų029.6 Ų29.60%017%0.168CC..EExtended strand (participates in β ladder)trans-123.1132.3-176.2-57.30000110.1V19 T20 F24 V40 F41 I42 L78 L92V19-T32 WeakPolarHBondContact CA-O 3.43Å; T20-T32 PolarHBondContact N-O 3.19Å; T20-T32 PolarHBondContact O-N 3.02Å; T20-T32 VanDerWaalsContact O-O 3.08Å; F24-T32 WeakPolarHBondContact CE2-OG1 3.47Å; F24-T32 WeakPolarHBondContact CZ-OG1 3.49Å; T32-V40 HydrophobicContact CG2-CG1 3.42Å; T32-V40 VanDerWaalsContact CG2-CG1 3.42Å; T32-F41 VanDerWaalsContact CA-O 3.3Å; T32-F41 WeakPolarHBondContact CA-O 3.49Å; T32-F41 WeakPolarHBondContact CG2-O 3.33Å; T32-I42 HydrophobicContact CG2-CG1 3.81Å; T32-L78 HydrophobicContact CG2-CD1 4.48Å; T32-L78 HydrophobicContact CG2-CD2 4.3Å; T32-L92 HydrophobicContact CG2-CD1 3.87Å; T32-L92 HydrophobicContact CG2-CD2 4.2Å
33A97Very high92.7Very high0 Ų030.1 Ų30.10%017%0.169CC..EExtended strand (participates in β ladder)trans-149.1152174.800000113.7I14 M18 V19 V40 F41I14-A33 HydrophobicContact CG2-CB 3.74Å; M18-A33 CarbonylContact O-C 3.59Å; M18-A33 WeakPolarHBondContact O-CA 3.48Å; M18-A33 WeakPolarHBondContact O-CB 3.33Å; V19-A33 HydrophobicContact CB-CB 4.42Å; V19-A33 HydrophobicContact CG1-CB 4.44Å; V19-A33 HydrophobicContact CG2-CB 3.98Å; A33-V40 WeakPolarHBondContact O-CA 3.49Å; A33-F41 HydrophobicContact CB-CD1 4.49Å; A33-F41 HydrophobicContact CB-CE1 3.73Å; A33-F41 HydrophobicContact CB-CE2 4.25Å; A33-F41 HydrophobicContact CB-CZ 3.57Å; A33-F41 PolarHBondContact N-O 2.84Å; A33-F41 WeakPolarHBondContact O-CD1 3.48Å; A33-F41 PolarHBondContact O-N 3.49Å
34A96.4Very high92.5Very high0 Ų026.4 Ų26.40%015%0.154CC..EExtended strand (participates in β ladder)trans-73.6141.5171.200000110.5N15 M18 V40 V75 L78N15-A34 HydrophobicContact CB-CB 4.26Å; N15-A34 PolarHBondContact N-O 3.44Å; M18-A34 HydrophobicContact CB-CB 3.59Å; M18-A34 HydrophobicContact CG-CB 4.27Å; M18-A34 PolarHBondContact O-N 3.07Å; M18-A34 HydrophobicContact SD-CB 3.73Å; A34-V40 HydrophobicContact CB-CG2 4.4Å; A34-V75 HydrophobicContact CB-CB 3.92Å; A34-V75 HydrophobicContact CB-CG1 3.92Å; A34-V75 HydrophobicContact CB-CG2 4.3Å; A34-L78 HydrophobicContact CB-CD1 4.46Å
35T94.1Very high92.1Very high11 Ų1128.1 Ų28.17%0.06717%0.165CC..EExtended strand (participates in β ladder)trans-124.7178.6176.8-166.70000110.7K13 K39K13-T35 WeakPolarHBondContact O-CA 3.13Å; K13-T35 VanDerWaalsContact O-CB 3.28Å; K13-T35 WeakPolarHBondContact O-CB 3.39Å; K13-T35 PolarHBondContact O-OG1 2.92Å; T35-K39 HydrophobicContact CG2-CB 3.7Å; T35-K39 PolarHBondContact N-O 3.37Å
36Q86.8Confident91.9Very high119 Ų11930.1 Ų30.156%0.55617%0.173SC*.THydrogen-bonded Turntrans-62.1159.2178.1-61.8-175.8-13.700111.4K13 G38K13-Q36 HydrophobicContact CB-CG 4.28Å; K13-Q36 VanDerWaalsContact CD-NE2 3.28Å; Q36-G38 VanDerWaalsContact C-N 3.3Å; Q36-G38 PolarHBondContact O-N 3.03Å
37A86.1Confident91.1Very high90 Ų9031.5 Ų31.574%0.74418%0.175SC*.THydrogen-bonded Turntrans62.927.9-18000000115.3
38G88.1Confident89.5Confident9 Ų935.6 Ų35.69%0.09318%0.184CC..THydrogen-bonded Turntrans67.741.3170.900000113.4Q36 I71 N72 Q73Q36-G38 VanDerWaalsContact C-N 3.3Å; Q36-G38 PolarHBondContact O-N 3.03Å; G38-I71 WeakPolarHBondContact O-CA 3.49Å; G38-I71 WeakPolarHBondContact O-CB 3.31Å; G38-I71 PolarHBondContact O-N 2.82Å; G38-I71 VanDerWaalsContact O-N 3.1Å; G38-N72 PolarHBondContact O-N 2.6Å; G38-Q73 WeakPolarHBondContact CA-O 3.48Å
39K93.7Very high87.7Confident70 Ų7035.6 Ų35.630%0.30420%0.197SC..EExtended strand (participates in β ladder)trans-119.1155.5175.3-59.6-174.2-177.8-166.70110T35 L69 N70T35-K39 HydrophobicContact CG2-CB 3.7Å; T35-K39 PolarHBondContact N-O 3.37Å; K39-L69 WeakPolarHBondContact CA-O 3.33Å; K39-N70 WeakPolarHBondContact CE-OD1 3.33Å; K39-N70 PolarHBondContact NZ-OD1 2.88Å
40V95.7Very high85.6Confident0 Ų044.2 Ų44.20%024%0.237CC..EExtended strand (participates in β ladder)trans-119.7128.5169.6173.50000106.9T32 A33 A34 L69 I71 V75 L78 L92 V94T32-V40 HydrophobicContact CG2-CG1 3.42Å; T32-V40 VanDerWaalsContact CG2-CG1 3.42Å; A33-V40 WeakPolarHBondContact O-CA 3.49Å; A34-V40 HydrophobicContact CB-CG2 4.4Å; V40-L69 HydrophobicContact CB-CB 4.28Å; V40-L69 PolarHBondContact N-O 2.78Å; V40-L69 PolarHBondContact O-N 3.43Å; V40-I71 HydrophobicContact CG2-CD1 4.4Å; V40-I71 HydrophobicContact CG2-CG1 3.87Å; V40-V75 HydrophobicContact CG2-CG2 4.02Å; V40-L78 HydrophobicContact CB-CD1 4.38Å; V40-L78 HydrophobicContact CG1-CD1 3.71Å; V40-L78 HydrophobicContact CG2-CD1 3.69Å; V40-L92 HydrophobicContact CG1-CD2 4.29Å; V40-V94 HydrophobicContact CG2-CG1 4.32Å; V40-V94 HydrophobicContact CG2-CG2 4.37Å
41F94.7Very high83.7Confident0 Ų048.6 Ų48.60%025%0.254CS..EExtended strand (participates in β ladder)trans-100.1146.8173.375.7-103000110.2L10 H12 I14 T32 A33 H43 I66 S67 L68L10-F41 HydrophobicContact CD1-CE2 3.55Å; L10-F41 HydrophobicContact CD1-CZ 3.62Å; H12-F41 HydrophobicContact CB-CD1 4.06Å; H12-F41 HydrophobicContact CB-CE1 4.15Å; I14-F41 HydrophobicContact CD1-CE1 4.41Å; I14-F41 HydrophobicContact CD1-CZ 3.95Å; I14-F41 HydrophobicContact CG1-CE1 3.94Å; I14-F41 HydrophobicContact CG1-CZ 4Å; T32-F41 VanDerWaalsContact CA-O 3.3Å; T32-F41 WeakPolarHBondContact CA-O 3.49Å; T32-F41 WeakPolarHBondContact CG2-O 3.33Å; A33-F41 HydrophobicContact CB-CD1 4.49Å; A33-F41 HydrophobicContact CB-CE1 3.73Å; A33-F41 HydrophobicContact CB-CE2 4.25Å; A33-F41 HydrophobicContact CB-CZ 3.57Å; A33-F41 PolarHBondContact N-O 2.84Å; A33-F41 WeakPolarHBondContact O-CD1 3.48Å; A33-F41 PolarHBondContact O-N 3.49Å; F41-H43 HydrophobicContact CD2-CB 4.42Å; F41-H43 HydrophobicContact CE2-CB 4.44Å; F41-I66 HydrophobicContact CB-CG2 3.68Å; F41-I66 HydrophobicContact CD2-CG2 4.36Å; F41-I66 HydrophobicContact CG-CG2 4.34Å; F41-S67 CarbonylContact C-O 3.57Å; F41-S67 VanDerWaalsContact CA-O 3.3Å; F41-S67 WeakPolarHBondContact CA-O 3.44Å; F41-L68 HydrophobicContact CB-CD2 3.6Å
42I94.7Very high81.4Confident7 Ų757.6 Ų57.64%0.03630%0.296CS..EExtended strand (participates in β ladder)trans-124.3110.8176.8-60.6156.7000106.1F24 C30 T32 L57 I66 S67 L92 V105F24-I42 HydrophobicContact CD2-CG2 4.04Å; F24-I42 HydrophobicContact CE2-CG1 4.49Å; F24-I42 HydrophobicContact CE2-CG2 3.88Å; C30-I42 HydrophobicContact CB-CG2 3.81Å; T32-I42 HydrophobicContact CG2-CG1 3.81Å; I42-L57 HydrophobicContact CD1-CD2 3.99Å; I42-I66 WeakPolarHBondContact O-CA 3.45Å; I42-S67 PolarHBondContact N-O 3.04Å; I42-S67 PolarHBondContact O-N 3.12Å; I42-L92 HydrophobicContact CD1-CD2 4.44Å; I42-V105 HydrophobicContact CD1-CB 4.46Å; I42-V105 HydrophobicContact CD1-CG1 3.73Å; I42-V105 HydrophobicContact CD1-CG2 3.81Å
43H93.8Very high79.4Confident13 Ų1361.6 Ų61.66%0.0633%0.329CS..EExtended strand (participates in β ladder)trans-95.5119.6177.4178.9-76.3000109.7L10 C30 L31 F41 I66 Y297L10-H43 HydrophobicContact CD2-CB 4.41Å; L10-H43 WeakPolarHBondContact CD2-CD2 3.48Å; C30-H43 WeakPolarHBondContact CA-O 3.36Å; L31-H43 HydrophobicContact CB-CB 4.45Å; L31-H43 PolarHBondContact N-O 3.3Å; L31-H43 PolarHBondContact O-N 2.82Å; F41-H43 HydrophobicContact CD2-CB 4.42Å; F41-H43 HydrophobicContact CE2-CB 4.44Å; H43-I66 HydrophobicContact CB-CG1 4.24Å; H43-Y297 PolarHBondContact CE1-OH 3.48Å; H43-Y297 AromaticContact ND1-CZ 3.88Å; H43-Y297 PolarHBondContact ND1-OH 3.45Å
44N89.8Confident77.3Confident14 Ų1463.9 Ų63.98%0.07535%0.348CS..  trans-123.8105.3179.2-176.8-30.9000109.5C30 H46 T47 D65C30-N44 VanDerWaalsContact SG-CB 3.59Å; C30-N44 VanDerWaalsContact SG-CG 3.53Å; C30-N44 PolarHBondContact SG-ND2 2.89Å; N44-H46 VanDerWaalsContact C-N 3.27Å; N44-H46 PolarHBondContact O-N 3Å; N44-H46 PolarHBondContact OD1-N 2.92Å; N44-T47 PolarHBondContact ND2-OG1 3.36Å; N44-T47 PolarHBondContact OD1-N 2.91Å; N44-T47 PolarHBondContact OD1-OG1 2.93Å; N44-D65 PolarHBondContact N-O 3.46Å
45P83.8Confident75.7Confident37 Ų3771.3 Ų71.324%0.2438%0.382CS..SBendtrans-75.2-14.9-178.130-33.8000113.7Y297P45-Y297 HydrophobicContact CG-CE1 4.04Å; P45-Y297 HydrophobicContact CG-CE2 4.04Å
46H84.3Confident74.5Confident70 Ų7073.3 Ų73.332%0.32439%0.388SS..SBendtrans-97.7-19.4-168.5-59.8-59.3000113.3H28 N44 Y297 M299H28-H46 HydrophobicContact CB-CB 4.35Å; H28-H46 AromaticContact CD2-CG 3.92Å; N44-H46 VanDerWaalsContact C-N 3.27Å; N44-H46 PolarHBondContact O-N 3Å; N44-H46 PolarHBondContact OD1-N 2.92Å; H46-Y297 PolarHBondContact NE2-O 2.98Å; H46-M299 WeakPolarHBondContact NE2-CG 3.38Å
47T71.3Confident74Confident63 Ų6368.6 Ų68.639%0.38737%0.367SS..  trans-122.687.3-174.4-160000110.1N44 G49N44-T47 PolarHBondContact ND2-OG1 3.36Å; N44-T47 PolarHBondContact OD1-N 2.91Å; N44-T47 PolarHBondContact OD1-OG1 2.93Å; T47-G49 PolarHBondContact O-N 3.22Å
48R57.1Low73.4Confident189 Ų18966.1 Ų66.171%0.71334%0.344SS*.  trans-82.4112.6178.5-70.2-170.2166.2164.11.4111.4D65R48-D65 IonicContact CZ-OD2 3.54Å; R48-D65 IonicContact NE-OD1 2.89Å; R48-D65 IonicContact NE-OD2 3.32Å; R48-D65 PolarHBondContact NE-OD2 3.04Å; R48-D65 IonicContact NH2-OD2 3.07Å; R48-D65 PolarHBondContact NH2-OD2 3.31Å
49G54.9Low72.8Confident49 Ų4970.3 Ų70.351%0.50536%0.361SS..SBendtrans7740.415300000118.7T47T47-G49 PolarHBondContact O-N 3.22Å
50Q49Very low71.7Confident184 Ų18467.5 Ų67.586%0.8635%0.35SS*.  trans-139.340.5173.5-72.3-165.8-20.700115.2
51R54.4Low70Confident95 Ų9572.7 Ų72.736%0.35839%0.394SS..  trans-116.4114.7166.7-68-171.6-172.4-169.53110A53 V105R51-A53 PolarHBondContact O-N 3.48Å; R51-V105 PolarHBondContact NH1-O 2.91Å
52Q47.9Very low68.5Low189 Ų18979 Ų7988%0.88342%0.423SS*.  trans-60.5132.3172-72.6179.9-4.600108.6A54Q52-A54 PolarHBondContact O-N 2.78Å; Q52-A54 VanDerWaalsContact O-N 3.11Å
53A53Low67.3Low85 Ų8580.2 Ų80.270%0.70243%0.43SS*.  trans-59.7115.5174.400000109.1R51R51-A53 PolarHBondContact O-N 3.48Å
54A54.7Low66Low48 Ų4882.9 Ų82.940%0.39745%0.45SS..BIsolated β-bridgetrans-149.2141.4178.300000110.7Q52 R56 L57 N108Q52-A54 PolarHBondContact O-N 2.78Å; Q52-A54 VanDerWaalsContact O-N 3.11Å; A54-R56 PolarHBondContact O-N 2.88Å; A54-L57 PolarHBondContact O-N 2.95Å; A54-N108 PolarHBondContact O-ND2 3.05Å
55H62Low65.6Low156 Ų15683.1 Ų83.172%0.72245%0.451SS*.THydrogen-bonded Turntrans57.5-104.9176.3-154.2-17.2000115.6
56R68.9Low65.7Low52 Ų5281.4 Ų81.420%0.19644%0.44CS..THydrogen-bonded Turntrans-100.5-20.4-176.1-58.9-172.3-169.6-148.96.3113.4A54 L69 N70 D110A54-R56 PolarHBondContact O-N 2.88Å; R56-L69 HydrophobicContact CB-CD1 3.45Å; R56-L69 VanDerWaalsContact CB-CD1 3.45Å; R56-N70 PolarHBondContact O-N 3.35Å; R56-N70 PolarHBondContact O-ND2 3.37Å; R56-D110 IonicContact CZ-OD1 2.73Å; R56-D110 IonicContact CZ-OD2 3.39Å; R56-D110 IonicContact NE-OD1 2.92Å; R56-D110 IonicContact NE-OD2 2.95Å; R56-D110 IonicContact NH2-OD1 3.53Å; R56-D110 IonicContact NH2-OD2 3.52Å; R56-D110 PolarHBondContact NH2-OD2 3.33Å
57L75.6Confident66Low21 Ų2179.4 Ų79.411%0.1143%0.434CS..EExtended strand (participates in β ladder)trans-90.4130.1-178.8-76.8162.1000111.1I42 A54 L68 L69 Y103 N108I42-L57 HydrophobicContact CD1-CD2 3.99Å; A54-L57 PolarHBondContact O-N 2.95Å; L57-L68 CarbonylContact C-O 3.52Å; L57-L68 WeakPolarHBondContact CA-O 3.41Å; L57-L69 HydrophobicContact CD2-CB 4.03Å; L57-L69 HydrophobicContact CD2-CD1 4.12Å; L57-L69 HydrophobicContact CG-CD1 3.98Å; L57-Y103 HydrophobicContact CD1-CE1 3.98Å; L57-Y103 WeakPolarHBondContact CD1-OH 3.18Å; L57-Y103 HydrophobicContact CG-CE1 4.29Å; L57-Y103 WeakPolarHBondContact CG-OH 3.4Å; L57-N108 HydrophobicContact CD1-CB 4.24Å
58S74.8Confident66.9Low37 Ų3777.2 Ų77.226%0.25942%0.42SS..EExtended strand (participates in β ladder)trans-133.1143.4177.753.30000109.5S67 L68 N70S58-S67 CarbonylContact O-C 3.58Å; S58-L68 PolarHBondContact N-O 3.48Å; S58-L68 PolarHBondContact O-N 3.04Å; S58-L68 PolarHBondContact OG-O 3.26Å; S58-L68 VanDerWaalsContact OG-O 3.07Å; S58-N70 PolarHBondContact OG-ND2 3.28Å
59Q74.9Confident68.5Low98 Ų9868.2 Ų68.246%0.45839%0.386SS..EExtended strand (participates in β ladder)trans-72.7139.1174.8-164.3170.913.400109.7A61 S64Q59-A61 PolarHBondContact O-N 3.04Å; Q59-S64 PolarHBondContact NE2-O 3.2Å
60S69.6Low70.3Confident10 Ų1067.7 Ų67.77%0.0737%0.371CS..  trans-64.9133.6174.9-178.70000109.9H12 Q62 D63 I66H12-S60 PolarHBondContact NE2-OG 2.95Å; S60-Q62 PolarHBondContact O-N 3Å; S60-Q62 PolarHBondContact OG-N 3.49Å; S60-D63 WeakPolarHBondContact CB-O 3.41Å; S60-I66 WeakPolarHBondContact CB-O 3.37Å; S60-I66 PolarHBondContact N-O 2.86Å
61A60.8Low72.4Confident110 Ų11059.7 Ų59.791%0.90933%0.334SS*.SBendtrans-72.2-16.8175.500000112.7Q59Q59-A61 PolarHBondContact O-N 3.04Å
62Q63.1Low74Confident131 Ų13161.2 Ų61.261%0.61235%0.35SS*.SBendtrans-99.5-24.9-176.1-67.3-179.2-900113.1N11 S60N11-Q62 PolarHBondContact O-OE1 3.22Å; S60-Q62 PolarHBondContact O-N 3Å; S60-Q62 PolarHBondContact OG-N 3.49Å
63D68.9Low75.9Confident34 Ų3455.3 Ų55.318%0.18232%0.322CS..  trans-146.3116-173.4-158.5-19.5000110.2S60 D65 I66S60-D63 WeakPolarHBondContact CB-O 3.41Å; D63-D65 PolarHBondContact O-N 3.16Å; D63-D65 PolarHBondContact OD1-N 3.49Å; D63-I66 HydrophobicContact CB-CB 4.18Å; D63-I66 HydrophobicContact CB-CD1 3.69Å; D63-I66 HydrophobicContact CB-CG1 3.86Å; D63-I66 PolarHBondContact O-N 3.01Å; D63-I66 WeakPolarHBondContact OD2-CD1 2.99Å
64S67.4Low77.7Confident69 Ų6955.1 Ų55.148%0.48332%0.321SS..THydrogen-bonded Turntrans-64.7-23.6-174.854.90000113.1Q59 I66Q59-S64 PolarHBondContact NE2-O 3.2Å; S64-I66 VanDerWaalsContact C-N 3.29Å
65D80.9Confident79.6Confident19 Ų1953.3 Ų53.310%0.10231%0.305CS..THydrogen-bonded Turntrans-91.81.9-172.6-59.71.8000110.6N44 R48 D63N44-D65 PolarHBondContact N-O 3.46Å; R48-D65 IonicContact CZ-OD2 3.54Å; R48-D65 IonicContact NE-OD1 2.89Å; R48-D65 IonicContact NE-OD2 3.32Å; R48-D65 PolarHBondContact NE-OD2 3.04Å; R48-D65 IonicContact NH2-OD2 3.07Å; R48-D65 PolarHBondContact NH2-OD2 3.31Å; D63-D65 PolarHBondContact O-N 3.16Å; D63-D65 PolarHBondContact OD1-N 3.49Å
66I86.9Confident81.2Confident0 Ų047.3 Ų47.30%028%0.28CS..EExtended strand (participates in β ladder)trans-113.6127.7179.7-60.1-178.7000111.6L10 F41 I42 H43 S60 D63 S64 L68L10-I66 HydrophobicContact CD2-CD1 3.91Å; F41-I66 HydrophobicContact CB-CG2 3.68Å; F41-I66 HydrophobicContact CD2-CG2 4.36Å; F41-I66 HydrophobicContact CG-CG2 4.34Å; I42-I66 WeakPolarHBondContact O-CA 3.45Å; H43-I66 HydrophobicContact CB-CG1 4.24Å; S60-I66 WeakPolarHBondContact CB-O 3.37Å; S60-I66 PolarHBondContact N-O 2.86Å; D63-I66 HydrophobicContact CB-CB 4.18Å; D63-I66 HydrophobicContact CB-CD1 3.69Å; D63-I66 HydrophobicContact CB-CG1 3.86Å; D63-I66 PolarHBondContact O-N 3.01Å; D63-I66 WeakPolarHBondContact OD2-CD1 2.99Å; S64-I66 VanDerWaalsContact C-N 3.29Å; I66-L68 HydrophobicContact CG2-CD2 4.21Å
67S89.9Confident82.5Confident29 Ų2945.2 Ų45.220%0.20327%0.273CS..EExtended strand (participates in β ladder)trans-102.2135.3165.8-60.30000110.4F41 I42 S58F41-S67 CarbonylContact C-O 3.57Å; F41-S67 VanDerWaalsContact CA-O 3.3Å; F41-S67 WeakPolarHBondContact CA-O 3.44Å; I42-S67 PolarHBondContact N-O 3.04Å; I42-S67 PolarHBondContact O-N 3.12Å; S58-S67 CarbonylContact O-C 3.58Å
68L90.8Very high83.5Confident17 Ų1744.8 Ų44.89%0.08927%0.271CS..EExtended strand (participates in β ladder)trans-105.9118.5177.9-64.5176.2000110.5F41 L57 S58 I66F41-L68 HydrophobicContact CB-CD2 3.6Å; L57-L68 CarbonylContact C-O 3.52Å; L57-L68 WeakPolarHBondContact CA-O 3.41Å; S58-L68 PolarHBondContact N-O 3.48Å; S58-L68 PolarHBondContact O-N 3.04Å; S58-L68 PolarHBondContact OG-O 3.26Å; S58-L68 VanDerWaalsContact OG-O 3.07Å; I66-L68 HydrophobicContact CG2-CD2 4.21Å
69L91.1Very high84.5Confident0 Ų044.3 Ų44.30%027%0.266CS..EExtended strand (participates in β ladder)trans-91.3119.5169.9-177.167.3000109.6K39 V40 R56 L57 I71 L92 Y103K39-L69 WeakPolarHBondContact CA-O 3.33Å; V40-L69 HydrophobicContact CB-CB 4.28Å; V40-L69 PolarHBondContact N-O 2.78Å; V40-L69 PolarHBondContact O-N 3.43Å; R56-L69 HydrophobicContact CB-CD1 3.45Å; R56-L69 VanDerWaalsContact CB-CD1 3.45Å; L57-L69 HydrophobicContact CD2-CB 4.03Å; L57-L69 HydrophobicContact CD2-CD1 4.12Å; L57-L69 HydrophobicContact CG-CD1 3.98Å; L69-I71 HydrophobicContact CD2-CD1 3.67Å; L69-I71 HydrophobicContact CG-CD1 3.82Å; L69-I71 PolarHBondContact O-N 3.15Å; L69-L92 HydrophobicContact CD2-CD2 3.95Å; L69-Y103 HydrophobicContact CD1-CD1 4.29Å; L69-Y103 HydrophobicContact CD1-CE1 3.68Å; L69-Y103 HydrophobicContact CD1-CE2 4.39Å; L69-Y103 HydrophobicContact CD2-CD1 3.92Å; L69-Y103 HydrophobicContact CD2-CE1 4.07Å; L69-Y103 HydrophobicContact CD2-CG 4.49Å
70N91.6Very high85.5Confident37 Ų3740.4 Ų40.420%0.19825%0.251CS..EExtended strand (participates in β ladder)trans-86.3104178.6-61.2-65.4000110.3K39 R56 S58K39-N70 WeakPolarHBondContact CE-OD1 3.33Å; K39-N70 PolarHBondContact NZ-OD1 2.88Å; R56-N70 PolarHBondContact O-N 3.35Å; R56-N70 PolarHBondContact O-ND2 3.37Å; S58-N70 PolarHBondContact OG-ND2 3.28Å
71I92.6Very high86.7Confident16 Ų1640.4 Ų40.48%0.08225%0.252CS..  trans-83.6-31.6174.5-51.6-60.8000110.4G38 V40 L69 Q73 V75 V94 T96 L101G38-I71 WeakPolarHBondContact O-CA 3.49Å; G38-I71 WeakPolarHBondContact O-CB 3.31Å; G38-I71 PolarHBondContact O-N 2.82Å; G38-I71 VanDerWaalsContact O-N 3.1Å; V40-I71 HydrophobicContact CG2-CD1 4.4Å; V40-I71 HydrophobicContact CG2-CG1 3.87Å; L69-I71 HydrophobicContact CD2-CD1 3.67Å; L69-I71 HydrophobicContact CG-CD1 3.82Å; L69-I71 PolarHBondContact O-N 3.15Å; I71-Q73 HydrophobicContact CG2-CB 4.25Å; I71-Q73 PolarHBondContact O-N 3.41Å; I71-Q73 VanDerWaalsContact O-N 3.15Å; I71-V75 HydrophobicContact CB-CG2 4.42Å; I71-V75 HydrophobicContact CG1-CG2 4.19Å; I71-V75 HydrophobicContact CG2-CG2 4.37Å; I71-V94 HydrophobicContact CD1-CB 4.35Å; I71-V94 HydrophobicContact CD1-CG1 4.01Å; I71-V94 HydrophobicContact CD1-CG2 4.21Å; I71-V94 HydrophobicContact CG1-CG1 4.1Å; I71-V94 HydrophobicContact CG2-CG1 4.35Å; I71-T96 HydrophobicContact CG2-CG2 4.02Å; I71-L101 HydrophobicContact CD1-CD2 3.96Å
72N88.1Confident88.2Confident128 Ų12839.3 Ų39.368%0.68424%0.235SC*.  trans59.518.4-178-53.8-48.4000113.9G38G38-N72 PolarHBondContact O-N 2.6Å
73Q87.8Confident89.5Confident64 Ų6433.1 Ų33.130%0.29921%0.206SC..SBendtrans-139.7155.8174.3-64.4-177.71.100108.9G38 I71 V75 T96 N99G38-Q73 WeakPolarHBondContact CA-O 3.48Å; I71-Q73 HydrophobicContact CG2-CB 4.25Å; I71-Q73 PolarHBondContact O-N 3.41Å; I71-Q73 VanDerWaalsContact O-N 3.15Å; Q73-V75 PolarHBondContact O-N 3.21Å; Q73-T96 HydrophobicContact CB-CG2 3.9Å; Q73-T96 PolarHBondContact OE1-OG1 2.99Å; Q73-N99 PolarHBondContact NE2-ND2 3Å; Q73-N99 PolarHBondContact OE1-ND2 3.22Å; Q73-N99 VanDerWaalsContact OE1-ND2 3.12Å
74A90.9Very high90.1Very high82 Ų8232.1 Ų32.168%0.67820%0.204SC*.  trans-66118.8173.900000109.7T96A74-T96 WeakPolarHBondContact O-CB 3.45Å
75V95.3Very high90.3Very high10 Ų1034 Ų346%0.06121%0.214CC..EExtended strand (participates in β ladder)trans-75.1133.9174.7-178.10000108.3M18 A34 V40 I71 Q73 C77 L78 V94M18-V75 WeakPolarHBondContact CE-O 3.35Å; M18-V75 HydrophobicContact SD-CB 4.19Å; M18-V75 HydrophobicContact SD-CG1 4.05Å; A34-V75 HydrophobicContact CB-CB 3.92Å; A34-V75 HydrophobicContact CB-CG1 3.92Å; A34-V75 HydrophobicContact CB-CG2 4.3Å; V40-V75 HydrophobicContact CG2-CG2 4.02Å; I71-V75 HydrophobicContact CB-CG2 4.42Å; I71-V75 HydrophobicContact CG1-CG2 4.19Å; I71-V75 HydrophobicContact CG2-CG2 4.37Å; Q73-V75 PolarHBondContact O-N 3.21Å; V75-C77 WeakPolarHBondContact CG1-O 3.35Å; V75-L78 HydrophobicContact CG1-CB 4.47Å; V75-V94 HydrophobicContact CB-CG1 4.42Å; V75-V94 HydrophobicContact CG1-CG1 3.82Å; V75-V94 HydrophobicContact CG2-CG1 3.79Å
76S94.9Very high89.8Confident29 Ų2940.4 Ų40.420%0.20325%0.249CC..EExtended strand (participates in β ladder)trans-113.3-28.2-179.446.30000112.5M18 G95 T96 A120M18-S76 WeakPolarHBondContact CE-O 3.4Å; S76-G95 PolarHBondContact N-O 3.15Å; S76-G95 PolarHBondContact OG-O 3.19Å; S76-G95 VanDerWaalsContact OG-O 3.12Å; S76-T96 VanDerWaalsContact OG-CA 3.26Å; S76-T96 WeakPolarHBondContact OG-CA 3.24Å; S76-T96 PolarHBondContact OG-O 2.9Å; S76-A120 VanDerWaalsContact CB-O 3.25Å; S76-A120 WeakPolarHBondContact CB-O 3.4Å; S76-A120 PolarHBondContact OG-O 3.2Å
77C95.9Very high89.2Confident8 Ų842.2 Ų42.25%0.05426%0.26CS..EExtended strand (participates in β ladder)trans-152.1154.9173.4610000111.3V75 G95 A120 I123V75-C77 WeakPolarHBondContact CG1-O 3.35Å; C77-G95 PolarHBondContact N-O 3.08Å; C77-G95 PolarHBondContact O-N 3.13Å; C77-A120 PolarHBondContact SG-O 3.4Å; C77-I123 HydrophobicContact CB-CB 4.3Å; C77-I123 HydrophobicContact CB-CG2 3.75Å
78L96.7Very high88.7Confident12 Ų1244.7 Ų44.76%0.06327%0.274CS..EExtended strand (participates in β ladder)trans-152.1131.2-172.9-174.3138.4000110.2M18 T20 T32 A34 V40 V75 L92 L93 V94M18-L78 HydrophobicContact CB-CB 4.24Å; T20-L78 HydrophobicContact CG2-CD2 3.28Å; T20-L78 HydrophobicContact CG2-CG 4.49Å; T32-L78 HydrophobicContact CG2-CD1 4.48Å; T32-L78 HydrophobicContact CG2-CD2 4.3Å; A34-L78 HydrophobicContact CB-CD1 4.46Å; V40-L78 HydrophobicContact CB-CD1 4.38Å; V40-L78 HydrophobicContact CG1-CD1 3.71Å; V40-L78 HydrophobicContact CG2-CD1 3.69Å; V75-L78 HydrophobicContact CG1-CB 4.47Å; L78-L92 HydrophobicContact CD1-CD1 4.43Å; L78-L92 HydrophobicContact CD2-CD1 4.37Å; L78-L92 HydrophobicContact CG-CD1 4.23Å; L78-L93 WeakPolarHBondContact CA-O 3.46Å; L78-V94 HydrophobicContact CD1-CG2 4.38Å
79T96.9Very high88.6Confident27 Ų2744.3 Ų44.317%0.16627%0.273CS..EExtended strand (participates in β ladder)trans-150.1164.2175.4-165.40000110.9L93 I123 L125T79-L93 HydrophobicContact CG2-CB 3.87Å; T79-L93 HydrophobicContact CG2-CD1 3.75Å; T79-L93 HydrophobicContact CG2-CG 4.42Å; T79-L93 PolarHBondContact N-O 2.86Å; T79-L93 VanDerWaalsContact N-O 3.11Å; T79-L93 PolarHBondContact O-N 3.5Å; T79-I123 HydrophobicContact CG2-CB 4.49Å; T79-I123 HydrophobicContact CG2-CD1 4.15Å; T79-I123 HydrophobicContact CG2-CG1 4.01Å; T79-I123 HydrophobicContact CG2-CG2 3.74Å; T79-L125 HydrophobicContact CG2-CB 4.26Å
80A96.3Very high88.7Confident16 Ų1645.9 Ų45.913%0.13228%0.282CS..EExtended strand (participates in β ladder)trans-136.9148.4175.500000110.7T20 F24 T91T20-A80 HydrophobicContact CG2-CB 3.72Å; T20-A80 PolarHBondContact OG1-N 3.39Å; F24-A80 HydrophobicContact CE1-CB 4.16Å; F24-A80 HydrophobicContact CZ-CB 4.37Å; A80-T91 VanDerWaalsContact CA-O 3.32Å; A80-T91 WeakPolarHBondContact CA-O 3.4Å
81G94.4Very high88.9Confident10 Ų1044.1 Ų44.110%0.10327%0.272CS..EExtended strand (participates in β ladder)trans167.6-175.3174.500000112.7L83 T91G81-L83 PolarHBondContact O-N 2.87Å; G81-T91 PolarHBondContact N-O 2.81Å; G81-T91 PolarHBondContact O-N 2.85Å
82T92.4Very high89.1Confident87 Ų8743.3 Ų43.353%0.53427%0.269SS..  trans-82.7112.3-177.733.80000111.6P134T82-P134 WeakPolarHBondContact O-CG 3.44Å
83L89.2Confident89.5Confident1 Ų137.2 Ų37.21%0.00524%0.236CC..  trans-103.4-39.2-179.3-172.964.6000113.1G81 T91 L93 A102 F112 L125 P134 A136G81-L83 PolarHBondContact O-N 2.87Å; L83-T91 HydrophobicContact CB-CG2 4.46Å; L83-T91 HydrophobicContact CD2-CG2 4.23Å; L83-L93 HydrophobicContact CD2-CD2 4.5Å; L83-A102 HydrophobicContact CD2-CB 4.27Å; L83-F112 HydrophobicContact CD2-CE1 3.86Å; L83-L125 HydrophobicContact CB-CD1 4.15Å; L83-L125 HydrophobicContact CD1-CD1 4.29Å; L83-P134 VanDerWaalsContact O-CG 3.25Å; L83-P134 WeakPolarHBondContact O-CG 3.21Å; L83-A136 HydrophobicContact CD1-CB 4.22Å
84G82.1Confident89.9Confident14 Ų1434.2 Ų34.214%0.14422%0.222CC..SBendtrans-117.3154.1-176.300000112.8N86 T87G84-N86 PolarHBondContact O-N 2.88Å; G84-T87 PolarHBondContact O-OG1 2.83Å
85P72.5Confident90.2Very high108 Ų10830.3 Ų30.370%0.70119%0.19SC*.THydrogen-bonded Turntrans-70.7-14.4177.527.9-34.1000114
86N69.3Low90.1Very high154 Ų15430.1 Ų30.182%0.82419%0.188SC*.THydrogen-bonded Turntrans-115.512.6-172.7-66.3-23.4000114.1G84G84-N86 PolarHBondContact O-N 2.88Å
87T74.4Confident89.8Confident38 Ų3832.3 Ų32.323%0.23320%0.195CC..  trans-84.1137177.759.40000110.3G84 G89 I111G84-T87 PolarHBondContact O-OG1 2.83Å; T87-G89 WeakPolarHBondContact CB-O 3.31Å; T87-G89 PolarHBondContact O-N 3.2Å; T87-G89 PolarHBondContact OG1-O 2.87Å; T87-I111 HydrophobicContact CG2-CD1 4.21Å
88T79.9Confident89.3Confident81 Ų8133.6 Ų33.650%0.49720%0.203SC..SBendtrans-66.1-27.2177.745.40000112.5G26G26-T88 VanDerWaalsContact CA-O 3.24Å; G26-T88 WeakPolarHBondContact CA-O 3.37Å
89G87.6Confident89Confident8 Ų833.8 Ų33.88%0.08220%0.204CC..SBendtrans-148.4-159.817800000112.4K23 T87K23-G89 VanDerWaalsContact O-CA 3.29Å; K23-G89 WeakPolarHBondContact O-CA 3.34Å; T87-G89 WeakPolarHBondContact CB-O 3.31Å; T87-G89 PolarHBondContact O-N 3.2Å; T87-G89 PolarHBondContact OG1-O 2.87Å
90D94.3Very high88.9Confident33 Ų3332.5 Ų32.518%0.17620%0.196CC..PPolyproline II helixtrans-69.6142.4177.4-68.4-33.3000111.4G22 K23 F24G22-D90 VanDerWaalsContact CA-OD2 3.31Å; G22-D90 WeakPolarHBondContact CA-OD2 3.49Å; K23-D90 PolarHBondContact N-OD2 2.91Å; K23-D90 PolarHBondContact O-N 3.41Å; F24-D90 HydrophobicContact CD1-CB 4.46Å; F24-D90 WeakPolarHBondContact CD1-O 3.42Å
91T95.2Very high88.9Confident0 Ų032 Ų320%019%0.191CC..EExtended strand (participates in β ladder)trans-85132.8169.9-62.70000109.7A80 G81 L83 L93 A102 I111A80-T91 VanDerWaalsContact CA-O 3.32Å; A80-T91 WeakPolarHBondContact CA-O 3.4Å; G81-T91 PolarHBondContact N-O 2.81Å; G81-T91 PolarHBondContact O-N 2.85Å; L83-T91 HydrophobicContact CB-CG2 4.46Å; L83-T91 HydrophobicContact CD2-CG2 4.23Å; T91-L93 HydrophobicContact CG2-CG 4.48Å; T91-A102 HydrophobicContact CG2-CB 4.01Å; T91-I111 HydrophobicContact CG2-CD1 3.53Å; T91-I111 VanDerWaalsContact OG1-CD1 3.22Å; T91-I111 WeakPolarHBondContact OG1-CD1 3.44Å
92L96.7Very high88.9Confident0 Ų031.5 Ų31.50%019%0.186CC..EExtended strand (participates in β ladder)trans-86.1121170.2179.561.9000109.7T20 F24 T32 V40 I42 L69 L78 V94 Y103 V105T20-L92 HydrophobicContact CG2-CD1 4.39Å; F24-L92 HydrophobicContact CE1-CB 3.77Å; F24-L92 HydrophobicContact CE1-CD1 4.42Å; F24-L92 HydrophobicContact CZ-CB 4.33Å; F24-L92 HydrophobicContact CZ-CD1 4.26Å; T32-L92 HydrophobicContact CG2-CD1 3.87Å; T32-L92 HydrophobicContact CG2-CD2 4.2Å; V40-L92 HydrophobicContact CG1-CD2 4.29Å; I42-L92 HydrophobicContact CD1-CD2 4.44Å; L69-L92 HydrophobicContact CD2-CD2 3.95Å; L78-L92 HydrophobicContact CD1-CD1 4.43Å; L78-L92 HydrophobicContact CD2-CD1 4.37Å; L78-L92 HydrophobicContact CG-CD1 4.23Å; L92-V94 HydrophobicContact CD2-CG2 4.14Å; L92-V94 HydrophobicContact CG-CG2 3.94Å; L92-Y103 PolarHBondContact N-O 3.45Å; L92-Y103 PolarHBondContact O-N 3.18Å; L92-V105 HydrophobicContact CB-CG2 3.9Å; L92-V105 HydrophobicContact CD2-CG2 3.97Å
93L97.1Very high89Confident0 Ų027.4 Ų27.40%016%0.161CC..EExtended strand (participates in β ladder)trans-102.5125.1173.3-70.2163.8000110.1L78 T79 L83 T91 L100 L101 A102 F112 I123 L125 A136L78-L93 WeakPolarHBondContact CA-O 3.46Å; T79-L93 HydrophobicContact CG2-CB 3.87Å; T79-L93 HydrophobicContact CG2-CD1 3.75Å; T79-L93 HydrophobicContact CG2-CG 4.42Å; T79-L93 PolarHBondContact N-O 2.86Å; T79-L93 VanDerWaalsContact N-O 3.11Å; T79-L93 PolarHBondContact O-N 3.5Å; L83-L93 HydrophobicContact CD2-CD2 4.5Å; T91-L93 HydrophobicContact CG2-CG 4.48Å; L93-L100 HydrophobicContact CD2-CD1 4.36Å; L93-L101 CarbonylContact C-O 3.58Å; L93-L101 WeakPolarHBondContact CA-O 3.48Å; L93-A102 HydrophobicContact CD2-CB 3.64Å; L93-F112 HydrophobicContact CD2-CZ 4.44Å; L93-I123 HydrophobicContact CB-CD1 3.71Å; L93-I123 HydrophobicContact CD1-CD1 3.97Å; L93-I123 HydrophobicContact CG-CD1 4.3Å; L93-L125 HydrophobicContact CD1-CB 4.08Å; L93-L125 HydrophobicContact CD1-CD1 3.58Å; L93-L125 HydrophobicContact CD1-CG 4.35Å; L93-A136 HydrophobicContact CD1-CB 3.7Å; L93-A136 HydrophobicContact CD2-CB 3.92Å
94V97.1Very high89.1Confident1 Ų127.9 Ų27.91%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-122.7111.9177.9-172.50000108.9V40 I71 V75 L78 L92 L101V40-V94 HydrophobicContact CG2-CG1 4.32Å; V40-V94 HydrophobicContact CG2-CG2 4.37Å; I71-V94 HydrophobicContact CD1-CB 4.35Å; I71-V94 HydrophobicContact CD1-CG1 4.01Å; I71-V94 HydrophobicContact CD1-CG2 4.21Å; I71-V94 HydrophobicContact CG1-CG1 4.1Å; I71-V94 HydrophobicContact CG2-CG1 4.35Å; V75-V94 HydrophobicContact CB-CG1 4.42Å; V75-V94 HydrophobicContact CG1-CG1 3.82Å; V75-V94 HydrophobicContact CG2-CG1 3.79Å; L78-V94 HydrophobicContact CD1-CG2 4.38Å; L92-V94 HydrophobicContact CD2-CG2 4.14Å; L92-V94 HydrophobicContact CG-CG2 3.94Å; V94-L101 HydrophobicContact CB-CB 4.39Å; V94-L101 PolarHBondContact N-O 2.89Å; V94-L101 PolarHBondContact O-N 2.74Å
95G96.1Very high89.6Confident0 Ų027.2 Ų27.20%016%0.157CC..EExtended strand (participates in β ladder)trans-94138.6172.900000111.4S76 C77S76-G95 PolarHBondContact N-O 3.15Å; S76-G95 PolarHBondContact OG-O 3.19Å; S76-G95 VanDerWaalsContact OG-O 3.12Å; C77-G95 PolarHBondContact N-O 3.08Å; C77-G95 PolarHBondContact O-N 3.13Å
96T93.4Very high90.3Very high5 Ų526.1 Ų26.13%0.03114%0.142CC..EExtended strand (participates in β ladder)trans-120.1176.5168.675.40000109.1I71 Q73 A74 S76 T98 N99 A120I71-T96 HydrophobicContact CG2-CG2 4.02Å; Q73-T96 HydrophobicContact CB-CG2 3.9Å; Q73-T96 PolarHBondContact OE1-OG1 2.99Å; A74-T96 WeakPolarHBondContact O-CB 3.45Å; S76-T96 VanDerWaalsContact OG-CA 3.26Å; S76-T96 WeakPolarHBondContact OG-CA 3.24Å; S76-T96 PolarHBondContact OG-O 2.9Å; T96-T98 PolarHBondContact O-N 3.47Å; T96-T98 PolarHBondContact OG1-N 3.32Å; T96-N99 PolarHBondContact N-O 2.91Å; T96-N99 PolarHBondContact OG1-N 3.15Å; T96-N99 PolarHBondContact OG1-O 2.78Å; T96-A120 WeakPolarHBondContact O-CB 3.48Å; T96-A120 PolarHBondContact O-N 3.39Å; T96-A120 VanDerWaalsContact O-N 3.13Å
97Q88.4Confident91Very high75 Ų7523.7 Ų23.735%0.3513%0.129SC..SBendtrans-63.2-13178.5-160.260.551.800113.6G119 N121Q97-G119 WeakPolarHBondContact O-CA 3.37Å; Q97-N121 PolarHBondContact NE2-OD1 3.15Å
98T85.8Confident91.7Very high36 Ų3623.7 Ų23.722%0.22113%0.128CC..SBendtrans-136.7-8.8-176.956.30000114.3T96 V116T96-T98 PolarHBondContact O-N 3.47Å; T96-T98 PolarHBondContact OG1-N 3.32Å; T98-V116 CarbonylContact C-O 3.56Å; T98-V116 WeakPolarHBondContact CA-O 3.38Å; T98-V116 PolarHBondContact O-N 3.38Å
99N90.8Very high92.1Very high16 Ų1621.9 Ų21.99%0.08612%0.121CC..EExtended strand (participates in β ladder)trans-140.7153.3-174.5-62.3-74.5000111.9Q73 T96 Y113 R114Q73-N99 PolarHBondContact NE2-ND2 3Å; Q73-N99 PolarHBondContact OE1-ND2 3.22Å; Q73-N99 VanDerWaalsContact OE1-ND2 3.12Å; T96-N99 PolarHBondContact N-O 2.91Å; T96-N99 PolarHBondContact OG1-N 3.15Å; T96-N99 PolarHBondContact OG1-O 2.78Å; N99-Y113 HydrophobicContact CB-CE2 4Å; N99-Y113 PolarHBondContact ND2-OH 2.86Å; N99-Y113 PolarHBondContact OD1-OH 3.22Å; N99-R114 CarbonylContact C-O 3.51Å; N99-R114 WeakPolarHBondContact CA-O 3.48Å
100L95.1Very high92.2Very high0 Ų024.4 Ų24.40%013%0.133CC..EExtended strand (participates in β ladder)trans-120.6122167.4178.863.7000108.9L93 F112 R114 V116 I123 I138 F147L93-L100 HydrophobicContact CD2-CD1 4.36Å; L100-F112 HydrophobicContact CD2-CE2 3.85Å; L100-F112 HydrophobicContact CD2-CZ 4.05Å; L100-F112 HydrophobicContact CG-CE2 3.96Å; L100-F112 HydrophobicContact CG-CZ 4.44Å; L100-R114 PolarHBondContact N-O 3.25Å; L100-R114 PolarHBondContact O-N 2.96Å; L100-V116 HydrophobicContact CB-CG2 3.85Å; L100-I123 HydrophobicContact CD1-CD1 3.6Å; L100-I138 HydrophobicContact CD1-CG2 4.06Å; L100-I138 HydrophobicContact CD2-CG2 3.86Å; L100-F147 HydrophobicContact CD2-CD2 3.49Å; L100-F147 VanDerWaalsContact CD2-CD2 3.49Å; L100-F147 HydrophobicContact CD2-CE2 3.88Å; L100-F147 HydrophobicContact CD2-CG 4.39Å
101L95.5Very high92Very high4 Ų425.3 Ų25.32%0.02114%0.137CC..EExtended strand (participates in β ladder)trans-108.9121.8174.9172.165.2000109.3I71 L93 V94 D110 Y113I71-L101 HydrophobicContact CD1-CD2 3.96Å; L93-L101 CarbonylContact C-O 3.58Å; L93-L101 WeakPolarHBondContact CA-O 3.48Å; V94-L101 HydrophobicContact CB-CB 4.39Å; V94-L101 PolarHBondContact N-O 2.89Å; V94-L101 PolarHBondContact O-N 2.74Å; L101-D110 HydrophobicContact CD1-CB 4.28Å; L101-Y113 HydrophobicContact CB-CD2 3.9Å; L101-Y113 HydrophobicContact CB-CE2 4.19Å; L101-Y113 HydrophobicContact CD1-CD2 3.79Å; L101-Y113 HydrophobicContact CG-CD2 4.39Å
102A95.1Very high91.9Very high0 Ų026 Ų260%014%0.14CC..EExtended strand (participates in β ladder)trans-100.4121.8163.400000108.7L83 T91 L93 I111 F112L83-A102 HydrophobicContact CD2-CB 4.27Å; T91-A102 HydrophobicContact CG2-CB 4.01Å; L93-A102 HydrophobicContact CD2-CB 3.64Å; A102-I111 HydrophobicContact CB-CB 4.06Å; A102-I111 HydrophobicContact CB-CG2 4.43Å; A102-I111 PolarHBondContact O-N 3.15Å; A102-F112 HydrophobicContact CB-CD1 3.63Å; A102-F112 HydrophobicContact CB-CD2 4.14Å; A102-F112 HydrophobicContact CB-CE1 3.45Å; A102-F112 VanDerWaalsContact CB-CE1 3.45Å; A102-F112 HydrophobicContact CB-CE2 3.96Å; A102-F112 HydrophobicContact CB-CG 3.98Å; A102-F112 HydrophobicContact CB-CZ 3.62Å; A102-F112 PolarHBondContact N-O 3.3Å; A102-F112 PolarHBondContact O-N 3.25Å
103Y93.9Very high91.7Very high1 Ų130.9 Ų30.90%0.00416%0.159CC..EExtended strand (participates in β ladder)trans-131.7127.2-167.1-174.3-108000112.2L57 L69 L92 V105 N108 A109 D110L57-Y103 HydrophobicContact CD1-CE1 3.98Å; L57-Y103 WeakPolarHBondContact CD1-OH 3.18Å; L57-Y103 HydrophobicContact CG-CE1 4.29Å; L57-Y103 WeakPolarHBondContact CG-OH 3.4Å; L69-Y103 HydrophobicContact CD1-CD1 4.29Å; L69-Y103 HydrophobicContact CD1-CE1 3.68Å; L69-Y103 HydrophobicContact CD1-CE2 4.39Å; L69-Y103 HydrophobicContact CD2-CD1 3.92Å; L69-Y103 HydrophobicContact CD2-CE1 4.07Å; L69-Y103 HydrophobicContact CD2-CG 4.49Å; L92-Y103 PolarHBondContact N-O 3.45Å; L92-Y103 PolarHBondContact O-N 3.18Å; Y103-V105 HydrophobicContact CD1-CB 4.47Å; Y103-V105 HydrophobicContact CD1-CG2 3.62Å; Y103-V105 HydrophobicContact CE1-CB 4.4Å; Y103-V105 HydrophobicContact CE1-CG2 3.86Å; Y103-N108 PolarHBondContact OH-OD1 3.39Å; Y103-A109 WeakPolarHBondContact CD2-O 3.28Å; Y103-D110 VanDerWaalsContact CD2-OD1 3.28Å; Y103-D110 WeakPolarHBondContact CD2-OD1 3.39Å
104D92Very high91.4Very high11 Ų1136 Ų366%0.05918%0.178CC..EExtended strand (participates in β ladder)trans-85.8109.4168.9-166.4-42.2000109.5H106 D107 N108 A109 I111D104-H106 WeakPolarHBondContact OD1-CA 3.11Å; D104-H106 WeakPolarHBondContact OD1-CB 3.41Å; D104-H106 PolarHBondContact OD1-N 3.46Å; D104-D107 PolarHBondContact OD1-N 2.92Å; D104-N108 VanDerWaalsContact O-CA 3.27Å; D104-N108 WeakPolarHBondContact O-CA 3.35Å; D104-N108 PolarHBondContact O-N 3.07Å; D104-A109 PolarHBondContact N-O 3.22Å; D104-A109 PolarHBondContact O-N 3.28Å; D104-A109 VanDerWaalsContact O-N 3.12Å; D104-I111 HydrophobicContact CB-CD1 4.27Å; D104-I111 HydrophobicContact CB-CG1 4.25Å
105V90.5Very high90.9Very high1 Ų142.6 Ų42.61%0.00621%0.209CC..THydrogen-bonded Turntrans-76-23.9-178.51680000112.2F24 I42 R51 L92 Y103F24-V105 HydrophobicContact CB-CB 3.72Å; F24-V105 HydrophobicContact CB-CG1 3.78Å; F24-V105 HydrophobicContact CD1-CB 3.82Å; F24-V105 HydrophobicContact CD1-CG1 4.4Å; F24-V105 HydrophobicContact CD1-CG2 3.78Å; F24-V105 HydrophobicContact CD2-CB 4.21Å; F24-V105 HydrophobicContact CD2-CG1 3.88Å; F24-V105 HydrophobicContact CD2-CG2 4.36Å; F24-V105 HydrophobicContact CE1-CG2 4.04Å; F24-V105 HydrophobicContact CG-CB 3.63Å; F24-V105 HydrophobicContact CG-CG1 3.75Å; F24-V105 HydrophobicContact CG-CG2 3.98Å; F24-V105 HydrophobicContact CZ-CG2 4.43Å; I42-V105 HydrophobicContact CD1-CB 4.46Å; I42-V105 HydrophobicContact CD1-CG1 3.73Å; I42-V105 HydrophobicContact CD1-CG2 3.81Å; R51-V105 PolarHBondContact NH1-O 2.91Å; L92-V105 HydrophobicContact CB-CG2 3.9Å; L92-V105 HydrophobicContact CD2-CG2 3.97Å; Y103-V105 HydrophobicContact CD1-CB 4.47Å; Y103-V105 HydrophobicContact CD1-CG2 3.62Å; Y103-V105 HydrophobicContact CE1-CB 4.4Å; Y103-V105 HydrophobicContact CE1-CG2 3.86Å
106H87.3Confident90.5Very high85 Ų8542.6 Ų42.639%0.39421%0.21SC..THydrogen-bonded Turntrans-76-52.5178.9-174.976.9000110.5F24 D25 D104 N108F24-H106 WeakPolarHBondContact O-CB 3.21Å; D25-H106 WeakPolarHBondContact CB-ND1 3.35Å; D104-H106 WeakPolarHBondContact OD1-CA 3.11Å; D104-H106 WeakPolarHBondContact OD1-CB 3.41Å; D104-H106 PolarHBondContact OD1-N 3.46Å; H106-N108 VanDerWaalsContact C-N 3.31Å
107D85.9Confident89.8Confident102 Ų10245.4 Ų45.455%0.54523%0.227SC..THydrogen-bonded Turntrans-85.2-5.7-177.9-73.8-20.4000113.3D104 A109D104-D107 PolarHBondContact OD1-N 2.92Å; D107-A109 VanDerWaalsContact C-N 3.3Å; D107-A109 HydrophobicContact CB-CB 4.37Å; D107-A109 PolarHBondContact O-N 2.86Å
108N87.4Confident89.5Confident38 Ų3842.3 Ų42.320%0.20321%0.213CC..THydrogen-bonded Turntrans54.848-177-176.816.1000111.2A54 L57 Y103 D104 H106A54-N108 PolarHBondContact O-ND2 3.05Å; L57-N108 HydrophobicContact CD1-CB 4.24Å; Y103-N108 PolarHBondContact OH-OD1 3.39Å; D104-N108 VanDerWaalsContact O-CA 3.27Å; D104-N108 WeakPolarHBondContact O-CA 3.35Å; D104-N108 PolarHBondContact O-N 3.07Å; H106-N108 VanDerWaalsContact C-N 3.31Å
109A88.3Confident89.6Confident44 Ų4440.6 Ų40.636%0.36420%0.202SC..EExtended strand (participates in β ladder)trans-128.1140.6-174.100000111.4Y103 D104 D107 I111Y103-A109 WeakPolarHBondContact CD2-O 3.28Å; D104-A109 PolarHBondContact N-O 3.22Å; D104-A109 PolarHBondContact O-N 3.28Å; D104-A109 VanDerWaalsContact O-N 3.12Å; D107-A109 VanDerWaalsContact C-N 3.3Å; D107-A109 HydrophobicContact CB-CB 4.37Å; D107-A109 PolarHBondContact O-N 2.86Å; A109-I111 PolarHBondContact O-N 3.31Å
110D90.4Very high89.7Confident60 Ų6039.9 Ų39.932%0.32120%0.198SC..EExtended strand (participates in β ladder)trans-76.4120169.5-62.7-13.3000107.5R56 L101 Y103R56-D110 IonicContact CZ-OD1 2.73Å; R56-D110 IonicContact CZ-OD2 3.39Å; R56-D110 IonicContact NE-OD1 2.92Å; R56-D110 IonicContact NE-OD2 2.95Å; R56-D110 IonicContact NH2-OD1 3.53Å; R56-D110 IonicContact NH2-OD2 3.52Å; R56-D110 PolarHBondContact NH2-OD2 3.33Å; L101-D110 HydrophobicContact CD1-CB 4.28Å; Y103-D110 VanDerWaalsContact CD2-OD1 3.28Å; Y103-D110 WeakPolarHBondContact CD2-OD1 3.39Å
111I90.8Very high89.7Confident53 Ų5340.7 Ų40.727%0.27220%0.202SC..EExtended strand (participates in β ladder)trans-71.7-50.3172.4-68169.4000108.3T87 T91 A102 D104 A109 Y149T87-I111 HydrophobicContact CG2-CD1 4.21Å; T91-I111 HydrophobicContact CG2-CD1 3.53Å; T91-I111 VanDerWaalsContact OG1-CD1 3.22Å; T91-I111 WeakPolarHBondContact OG1-CD1 3.44Å; A102-I111 HydrophobicContact CB-CB 4.06Å; A102-I111 HydrophobicContact CB-CG2 4.43Å; A102-I111 PolarHBondContact O-N 3.15Å; D104-I111 HydrophobicContact CB-CD1 4.27Å; D104-I111 HydrophobicContact CB-CG1 4.25Å; A109-I111 PolarHBondContact O-N 3.31Å; I111-Y149 WeakPolarHBondContact CG2-O 3.32Å
112F93.2Very high89.8Confident15 Ų1540.9 Ų40.97%0.06621%0.205CC..EExtended strand (participates in β ladder)trans-152159.2164.667.2-105.2000110.8L83 L93 L100 A102 R114 F147 D148L83-F112 HydrophobicContact CD2-CE1 3.86Å; L93-F112 HydrophobicContact CD2-CZ 4.44Å; L100-F112 HydrophobicContact CD2-CE2 3.85Å; L100-F112 HydrophobicContact CD2-CZ 4.05Å; L100-F112 HydrophobicContact CG-CE2 3.96Å; L100-F112 HydrophobicContact CG-CZ 4.44Å; A102-F112 HydrophobicContact CB-CD1 3.63Å; A102-F112 HydrophobicContact CB-CD2 4.14Å; A102-F112 HydrophobicContact CB-CE1 3.45Å; A102-F112 VanDerWaalsContact CB-CE1 3.45Å; A102-F112 HydrophobicContact CB-CE2 3.96Å; A102-F112 HydrophobicContact CB-CG 3.98Å; A102-F112 HydrophobicContact CB-CZ 3.62Å; A102-F112 PolarHBondContact N-O 3.3Å; A102-F112 PolarHBondContact O-N 3.25Å; F112-R114 HydrophobicContact CD2-CB 4.26Å; F112-R114 HydrophobicContact CD2-CG 3.8Å; F112-R114 HydrophobicContact CE2-CB 4.45Å; F112-R114 HydrophobicContact CE2-CG 4.24Å; F112-F147 HydrophobicContact CZ-CB 4.02Å; F112-D148 VanDerWaalsContact CE1-O 3.27Å; F112-D148 WeakPolarHBondContact CE1-O 3.38Å
113Y91.8Very high89.9Confident101 Ų10141.9 Ų41.940%0.39621%0.21SC..EExtended strand (participates in β ladder)trans-133.1112.3170.8-172.6-103.3000108.5N99 L101N99-Y113 HydrophobicContact CB-CE2 4Å; N99-Y113 PolarHBondContact ND2-OH 2.86Å; N99-Y113 PolarHBondContact OD1-OH 3.22Å; L101-Y113 HydrophobicContact CB-CD2 3.9Å; L101-Y113 HydrophobicContact CB-CE2 4.19Å; L101-Y113 HydrophobicContact CD1-CD2 3.79Å; L101-Y113 HydrophobicContact CG-CD2 4.39Å
114R90.3Very high90Very high107 Ų10742.8 Ų42.840%0.40422%0.216SC..EExtended strand (participates in β ladder)trans-118136.6-176.2-75.6-67.1-166.1179.50110.5N99 L100 F112 G151N99-R114 CarbonylContact C-O 3.51Å; N99-R114 WeakPolarHBondContact CA-O 3.48Å; L100-R114 PolarHBondContact N-O 3.25Å; L100-R114 PolarHBondContact O-N 2.96Å; F112-R114 HydrophobicContact CD2-CB 4.26Å; F112-R114 HydrophobicContact CD2-CG 3.8Å; F112-R114 HydrophobicContact CE2-CB 4.45Å; F112-R114 HydrophobicContact CE2-CG 4.24Å; R114-G151 PolarHBondContact NE-O 2.82Å; R114-G151 PolarHBondContact NH2-O 3.22Å
115E86.1Confident90.2Very high140 Ų14043.8 Ų43.865%0.65422%0.221SC*.EExtended strand (participates in β ladder)trans-78.4131.9168.2-170.6171.4-167.500108.9
116V87.4Confident90.4Very high1 Ų144.4 Ų44.41%0.00623%0.227CC..  trans-121.2100.9179.4-176.20000107.2T98 L100 D118 G119 I138 F147T98-V116 CarbonylContact C-O 3.56Å; T98-V116 WeakPolarHBondContact CA-O 3.38Å; T98-V116 PolarHBondContact O-N 3.38Å; L100-V116 HydrophobicContact CB-CG2 3.85Å; V116-D118 VanDerWaalsContact C-N 3.26Å; V116-D118 PolarHBondContact O-N 2.95Å; V116-G119 PolarHBondContact O-N 3.25Å; V116-G119 VanDerWaalsContact O-N 3.1Å; V116-I138 HydrophobicContact CB-CD1 4.06Å; V116-I138 HydrophobicContact CG1-CD1 3.38Å; V116-I138 HydrophobicContact CG2-CD1 3.53Å; V116-F147 HydrophobicContact CG2-CE2 4.47Å
117T78.9Confident90.7Very high64 Ų6446.1 Ų46.139%0.39323%0.233SC..THydrogen-bonded Turntrans-62.8-32.8-176.150.90000113.1G119 L665T117-G119 VanDerWaalsContact C-N 3.29Å; T117-L665 WeakPolarHBondContact O-CD2 3.39Å
118D83.3Confident91.1Very high10 Ų1041.2 Ų41.25%0.05321%0.207CC..THydrogen-bonded Turntrans-82.9-7179.6-56.6-44.6000112.9V116 G140 N141 A143 Q145 N672V116-D118 VanDerWaalsContact C-N 3.26Å; V116-D118 PolarHBondContact O-N 2.95Å; D118-G140 CarbonylContact O-C 3.57Å; D118-G140 WeakPolarHBondContact O-CA 3.44Å; D118-N141 VanDerWaalsContact O-CG 3.26Å; D118-N141 PolarHBondContact O-N 2.85Å; D118-N141 PolarHBondContact O-ND2 2.9Å; D118-A143 HydrophobicContact CB-CB 4.12Å; D118-A143 WeakPolarHBondContact OD2-CB 3.49Å; D118-Q145 PolarHBondContact OD2-NE2 2.65Å; D118-N672 PolarHBondContact OD1-ND2 2.75Å
119G87.4Confident91.3Very high0 Ų040 Ų400%020%0.204CC..  trans76165.5-176.400000115.8Q97 V116 T117 G140Q97-G119 WeakPolarHBondContact O-CA 3.37Å; V116-G119 PolarHBondContact O-N 3.25Å; V116-G119 VanDerWaalsContact O-N 3.1Å; T117-G119 VanDerWaalsContact C-N 3.29Å; G119-G140 WeakPolarHBondContact O-CA 3.23Å
120A93.4Very high91.3Very high0 Ų042.4 Ų42.40%021%0.211CC..  trans-115.887179.300000110.6S76 C77 T96 I138S76-A120 VanDerWaalsContact CB-O 3.25Å; S76-A120 WeakPolarHBondContact CB-O 3.4Å; S76-A120 PolarHBondContact OG-O 3.2Å; C77-A120 PolarHBondContact SG-O 3.4Å; T96-A120 WeakPolarHBondContact O-CB 3.48Å; T96-A120 PolarHBondContact O-N 3.39Å; T96-A120 VanDerWaalsContact O-N 3.13Å; A120-I138 HydrophobicContact CB-CB 4.49Å; A120-I138 HydrophobicContact CB-CG2 4.4Å
121N95Very high91.3Very high17 Ų1741.2 Ų41.29%0.09120%0.204CC..SBendtrans-81.1-32.7-179.3-63.6-25.5000112.5Q97 G139 G140 V163Q97-N121 PolarHBondContact NE2-OD1 3.15Å; N121-G139 WeakPolarHBondContact CA-O 3.24Å; N121-G139 WeakPolarHBondContact CB-O 3.49Å; N121-G139 PolarHBondContact N-O 2.87Å; N121-G140 PolarHBondContact ND2-O 2.87Å; N121-V163 WeakPolarHBondContact CB-O 3.45Å
122A96.3Very high91Very high8 Ų846.9 Ų46.97%0.06623%0.229CC..EExtended strand (participates in β ladder)trans-143.2153.5175.600000109.9I138 G139 V163 L166A122-I138 WeakPolarHBondContact O-CA 3.25Å; A122-G139 PolarHBondContact N-O 2.83Å; A122-G139 PolarHBondContact O-N 3.02Å; A122-V163 HydrophobicContact CB-CG1 4.27Å; A122-L166 HydrophobicContact CB-CD1 4.27Å; A122-L166 HydrophobicContact CB-CG 4.06Å
123I97.4Very high90.8Very high21 Ų2147.7 Ų47.711%0.10824%0.236CC..EExtended strand (participates in β ladder)trans-142.5142.4179.5-168.8166.9000110.9C77 T79 L93 L100 I137 I138C77-I123 HydrophobicContact CB-CB 4.3Å; C77-I123 HydrophobicContact CB-CG2 3.75Å; T79-I123 HydrophobicContact CG2-CB 4.49Å; T79-I123 HydrophobicContact CG2-CD1 4.15Å; T79-I123 HydrophobicContact CG2-CG1 4.01Å; T79-I123 HydrophobicContact CG2-CG2 3.74Å; L93-I123 HydrophobicContact CB-CD1 3.71Å; L93-I123 HydrophobicContact CD1-CD1 3.97Å; L93-I123 HydrophobicContact CG-CD1 4.3Å; L100-I123 HydrophobicContact CD1-CD1 3.6Å; I123-I137 CarbonylContact C-O 3.55Å; I123-I137 VanDerWaalsContact CA-O 3.31Å; I123-I137 WeakPolarHBondContact CA-O 3.26Å; I123-I137 WeakPolarHBondContact CG1-O 3.27Å; I123-I138 HydrophobicContact CB-CG2 4.26Å; I123-I138 HydrophobicContact CD1-CG2 3.78Å; I123-I138 HydrophobicContact CG1-CG2 3.81Å
124V97.1Very high90.8Very high21 Ų2144.1 Ų44.113%0.12723%0.226CC..EExtended strand (participates in β ladder)trans-136.8144.216965.90000109.1I137 L166 L168 L179V124-I137 HydrophobicContact CG1-CB 3.9Å; V124-I137 HydrophobicContact CG1-CD1 4.41Å; V124-I137 HydrophobicContact CG1-CG2 4.46Å; V124-I137 PolarHBondContact N-O 2.93Å; V124-I137 PolarHBondContact O-N 3.45Å; V124-L166 HydrophobicContact CB-CB 4.09Å; V124-L166 HydrophobicContact CG1-CB 3.82Å; V124-L166 HydrophobicContact CG1-CD1 4.37Å; V124-L168 HydrophobicContact CG1-CG 4.28Å; V124-L168 HydrophobicContact CG2-CD1 4.17Å; V124-L168 HydrophobicContact CG2-CG 4.09Å; V124-L179 HydrophobicContact CG1-CD1 3.83Å
125L96.2Very high91Very high32 Ų3239 Ų3917%0.16821%0.207CC..EExtended strand (participates in β ladder)trans-113.8131.9175.9177.2155.7000109T79 L83 L93 L135T79-L125 HydrophobicContact CG2-CB 4.26Å; L83-L125 HydrophobicContact CB-CD1 4.15Å; L83-L125 HydrophobicContact CD1-CD1 4.29Å; L93-L125 HydrophobicContact CD1-CB 4.08Å; L93-L125 HydrophobicContact CD1-CD1 3.58Å; L93-L125 HydrophobicContact CD1-CG 4.35Å; L125-L135 WeakPolarHBondContact CA-O 3.45Å
126G94.2Very high91.5Very high14 Ų1432.4 Ų32.414%0.14418%0.175CC..EExtended strand (participates in β ladder)trans161.3-173.2172.500000113.1P134 L135 L168G126-P134 WeakPolarHBondContact O-CA 3.5Å; G126-L135 PolarHBondContact N-O 2.68Å; G126-L135 VanDerWaalsContact N-O 3.13Å; G126-L135 PolarHBondContact O-N 3.2Å; G126-L168 VanDerWaalsContact CA-CD1 3.42Å
127K93.7Very high92Very high120 Ų12032.3 Ų32.352%0.52218%0.175SC..  trans-85.3136.9178.5-60.6-168.3-179.7-149.70110.7E132 P134 N177K127-E132 WeakPolarHBondContact CE-O 3.18Å; K127-E132 PolarHBondContact NZ-O 3.37Å; K127-P134 HydrophobicContact CG-CB 4.38Å; K127-N177 WeakPolarHBondContact O-CB 3.3Å
128L93.8Very high92.8Very high0 Ų029.3 Ų29.30%016%0.157CC..  trans-117.1121.9179.1178.964.8000109.7N130 I131 I137 F155 L168 L179L128-N130 PolarHBondContact O-N 3.48Å; L128-I131 WeakPolarHBondContact O-CB 3.28Å; L128-I131 WeakPolarHBondContact O-CG1 3.1Å; L128-I131 PolarHBondContact O-N 3.4Å; L128-I137 HydrophobicContact CB-CD1 4.11Å; L128-I137 HydrophobicContact CD2-CD1 4.06Å; L128-I137 HydrophobicContact CG-CD1 4.5Å; L128-F155 HydrophobicContact CD2-CD1 4.01Å; L128-F155 HydrophobicContact CD2-CD2 3.89Å; L128-F155 HydrophobicContact CD2-CE1 4.17Å; L128-F155 HydrophobicContact CD2-CE2 4.11Å; L128-F155 HydrophobicContact CD2-CG 3.85Å; L128-F155 HydrophobicContact CD2-CZ 4.22Å; L128-L168 HydrophobicContact CD1-CD2 4Å; L128-L179 HydrophobicContact CD1-CB 3.77Å
129G91.3Very high93.4Very high12 Ų1228.9 Ų28.912%0.12415%0.154CC..THydrogen-bonded Turntrans54.4-125.2175.400000113.4N177G129-N177 PolarHBondContact N-O 3.48Å
130N89.5Confident93.6Very high95 Ų9528.9 Ų28.951%0.50816%0.155SC..THydrogen-bonded Turntrans-90.10.8178.8-60.5-66.7000114L128 E132 K176 E193L128-N130 PolarHBondContact O-N 3.48Å; N130-E132 PolarHBondContact O-N 3.33Å; N130-K176 WeakPolarHBondContact OD1-CD 3.39Å; N130-K176 WeakPolarHBondContact OD1-CE 3.04Å; N130-K176 PolarHBondContact OD1-NZ 3.01Å; N130-E193 VanDerWaalsContact CB-OE1 3.25Å; N130-E193 WeakPolarHBondContact CB-OE1 3.41Å; N130-E193 PolarHBondContact N-OE1 2.77Å; N130-E193 PolarHBondContact ND2-OE1 2.82Å
131I89.4Confident93.4Very high35 Ų3529.6 Ų29.618%0.17916%0.158CC..  trans-72.4116.1-178.5-55.2177.5000108.4L128 S133 L135L128-I131 WeakPolarHBondContact O-CB 3.28Å; L128-I131 WeakPolarHBondContact O-CG1 3.1Å; L128-I131 PolarHBondContact O-N 3.4Å; I131-S133 PolarHBondContact O-N 3.02Å; I131-L135 HydrophobicContact CD1-CD1 3.67Å; I131-L135 HydrophobicContact CG2-CD1 4.19Å; I131-L135 HydrophobicContact CG2-CD2 4.46Å; I131-L135 HydrophobicContact CG2-CG 4.3Å
132E84.8Confident93.1Very high172 Ų17228.8 Ų28.880%0.80415%0.154SC*.SBendtrans-66.5-38.8-172.6-66.8-170.7167.900112.8K127 N130K127-E132 WeakPolarHBondContact CE-O 3.18Å; K127-E132 PolarHBondContact NZ-O 3.37Å; N130-E132 PolarHBondContact O-N 3.33Å
133S88.5Confident92.8Very high31 Ų3128.4 Ų28.422%0.21715%0.151CC..SBendtrans-81.1139178.5490000111.5I131 Q154I131-S133 PolarHBondContact O-N 3.02Å; S133-Q154 PolarHBondContact OG-OE1 3.47Å
134P92.9Very high92.7Very high27 Ų2727.4 Ų27.418%0.17515%0.146CC..  trans-64.6143.9170.131.4-34.8000109.8T82 L83 G126 K127T82-P134 WeakPolarHBondContact O-CG 3.44Å; L83-P134 VanDerWaalsContact O-CG 3.25Å; L83-P134 WeakPolarHBondContact O-CG 3.21Å; G126-P134 WeakPolarHBondContact O-CA 3.5Å; K127-P134 HydrophobicContact CG-CB 4.38Å
135L95.3Very high92.5Very high0 Ų027.4 Ų27.40%014%0.144CC..EExtended strand (participates in β ladder)trans-114.5144.3179.8-62.8178.5000110.4L125 G126 I131 I137 F147 D148 Q154 F155L125-L135 WeakPolarHBondContact CA-O 3.45Å; G126-L135 PolarHBondContact N-O 2.68Å; G126-L135 VanDerWaalsContact N-O 3.13Å; G126-L135 PolarHBondContact O-N 3.2Å; I131-L135 HydrophobicContact CD1-CD1 3.67Å; I131-L135 HydrophobicContact CG2-CD1 4.19Å; I131-L135 HydrophobicContact CG2-CD2 4.46Å; I131-L135 HydrophobicContact CG2-CG 4.3Å; L135-I137 HydrophobicContact CB-CD1 4.49Å; L135-I137 HydrophobicContact CB-CG1 3.86Å; L135-I137 PolarHBondContact O-N 2.9Å; L135-F147 CarbonylContact C-O 3.59Å; L135-F147 WeakPolarHBondContact CA-O 3.46Å; L135-D148 HydrophobicContact CD2-CB 4.22Å; L135-Q154 HydrophobicContact CD1-CB 4.5Å; L135-Q154 HydrophobicContact CD2-CB 3.98Å; L135-Q154 HydrophobicContact CD2-CG 4.28Å; L135-F155 HydrophobicContact CD1-CB 4Å
136A96.7Very high92.5Very high0 Ų025.9 Ų25.90%014%0.136CC..EExtended strand (participates in β ladder)trans-84.595.9160.700000108.2L83 L93 G146 F147L83-A136 HydrophobicContact CD1-CB 4.22Å; L93-A136 HydrophobicContact CD1-CB 3.7Å; L93-A136 HydrophobicContact CD2-CB 3.92Å; A136-G146 WeakPolarHBondContact O-CA 3.27Å; A136-F147 PolarHBondContact N-O 2.98Å; A136-F147 PolarHBondContact O-N 2.67Å
137I97Very high92.5Very high0 Ų025.8 Ų25.80%013%0.132CC..EExtended strand (participates in β ladder)trans-92.2121.3-177.7-54.7169.2000109.1I123 V124 L128 L135 Q145 F155 L166 L168 L179I123-I137 CarbonylContact C-O 3.55Å; I123-I137 VanDerWaalsContact CA-O 3.31Å; I123-I137 WeakPolarHBondContact CA-O 3.26Å; I123-I137 WeakPolarHBondContact CG1-O 3.27Å; V124-I137 HydrophobicContact CG1-CB 3.9Å; V124-I137 HydrophobicContact CG1-CD1 4.41Å; V124-I137 HydrophobicContact CG1-CG2 4.46Å; V124-I137 PolarHBondContact N-O 2.93Å; V124-I137 PolarHBondContact O-N 3.45Å; L128-I137 HydrophobicContact CB-CD1 4.11Å; L128-I137 HydrophobicContact CD2-CD1 4.06Å; L128-I137 HydrophobicContact CG-CD1 4.5Å; L135-I137 HydrophobicContact CB-CD1 4.49Å; L135-I137 HydrophobicContact CB-CG1 3.86Å; L135-I137 PolarHBondContact O-N 2.9Å; I137-Q145 CarbonylContact C-O 3.47Å; I137-Q145 WeakPolarHBondContact CA-O 3.17Å; I137-F155 HydrophobicContact CG2-CD1 4.26Å; I137-F155 HydrophobicContact CG2-CE1 4.13Å; I137-L166 HydrophobicContact CG2-CD1 4.35Å; I137-L168 HydrophobicContact CD1-CD2 4.06Å; I137-L179 HydrophobicContact CD1-CD1 4.16Å; I137-L179 HydrophobicContact CG2-CD1 4.16Å; I137-L179 HydrophobicContact CG2-CD2 3.79Å
138I96.7Very high92.5Very high1 Ų120.4 Ų20.41%0.00511%0.109CC..EExtended strand (participates in β ladder)trans-113.3148.617860165.6000111.2L100 V116 A120 A122 I123 L144 Q145 F147L100-I138 HydrophobicContact CD1-CG2 4.06Å; L100-I138 HydrophobicContact CD2-CG2 3.86Å; V116-I138 HydrophobicContact CB-CD1 4.06Å; V116-I138 HydrophobicContact CG1-CD1 3.38Å; V116-I138 HydrophobicContact CG2-CD1 3.53Å; A120-I138 HydrophobicContact CB-CB 4.49Å; A120-I138 HydrophobicContact CB-CG2 4.4Å; A122-I138 WeakPolarHBondContact O-CA 3.25Å; I123-I138 HydrophobicContact CB-CG2 4.26Å; I123-I138 HydrophobicContact CD1-CG2 3.78Å; I123-I138 HydrophobicContact CG1-CG2 3.81Å; I138-L144 WeakPolarHBondContact O-CA 3.26Å; I138-Q145 HydrophobicContact CD1-CB 4.17Å; I138-Q145 HydrophobicContact CD1-CG 4.42Å; I138-Q145 HydrophobicContact CG1-CB 3.8Å; I138-Q145 HydrophobicContact CG1-CG 4.34Å; I138-Q145 WeakPolarHBondContact CG1-O 3.3Å; I138-Q145 PolarHBondContact N-O 2.75Å; I138-Q145 PolarHBondContact O-N 3.04Å; I138-F147 HydrophobicContact CD1-CE2 3.68Å; I138-F147 HydrophobicContact CG1-CE2 4Å
139G95Very high92.4Very high0 Ų024.9 Ų24.90%013%0.126CC..EExtended strand (participates in β ladder)trans-121128.6170.600000110.8N121 A122N121-G139 WeakPolarHBondContact CA-O 3.24Å; N121-G139 WeakPolarHBondContact CB-O 3.49Å; N121-G139 PolarHBondContact N-O 2.87Å; A122-G139 PolarHBondContact N-O 2.83Å; A122-G139 PolarHBondContact O-N 3.02Å
140G92Very high92.4Very high1 Ų129.2 Ų29.21%0.0114%0.144CC..  trans-119.7-139.7-179.300000112.5D118 G119 N121 C142 A143 V163D118-G140 CarbonylContact O-C 3.57Å; D118-G140 WeakPolarHBondContact O-CA 3.44Å; G119-G140 WeakPolarHBondContact O-CA 3.23Å; N121-G140 PolarHBondContact ND2-O 2.87Å; G140-C142 PolarHBondContact O-N 3.49Å; G140-A143 PolarHBondContact N-O 3.09Å; G140-V163 PolarHBondContact O-N 3.49Å
141N89.3Confident92.4Very high14 Ų1424.7 Ų24.78%0.07512%0.119CC..SBendtrans-81.495.1178.3-63.3-16.9000110.7D118 A143 N162 N672D118-N141 VanDerWaalsContact O-CG 3.26Å; D118-N141 PolarHBondContact O-N 2.85Å; D118-N141 PolarHBondContact O-ND2 2.9Å; N141-A143 PolarHBondContact O-N 3.13Å; N141-N162 WeakPolarHBondContact CA-OD1 3.28Å; N141-N162 PolarHBondContact OD1-OD1 3.03Å; N141-N672 PolarHBondContact O-ND2 2.76Å
142C88.4Confident92.5Very high0 Ų026.1 Ų26.10%013%0.127CC..SBendtrans60.38.3-176.7-57.40000115.2G140 V158 T159 G160 D161 N672G140-C142 PolarHBondContact O-N 3.49Å; C142-V158 CarbonylContact O-C 3.49Å; C142-V158 WeakPolarHBondContact O-CA 3.45Å; C142-V158 WeakPolarHBondContact O-CG2 3.48Å; C142-T159 PolarHBondContact O-N 3.17Å; C142-G160 PolarHBondContact SG-O 3.4Å; C142-D161 WeakPolarHBondContact SG-CA 3.47Å; C142-N672 HydrophobicContact CB-CB 3.65Å
143A90.8Very high92.8Very high0 Ų020.7 Ų20.70%010%0.104CC..EExtended strand (participates in β ladder)trans-127.7147.6-177.200000112.1D118 G140 N141D118-A143 HydrophobicContact CB-CB 4.12Å; D118-A143 WeakPolarHBondContact OD2-CB 3.49Å; G140-A143 PolarHBondContact N-O 3.09Å; N141-A143 PolarHBondContact O-N 3.13Å
144L94.1Very high92.9Very high0 Ų023.4 Ų23.40%011%0.113CC..EExtended strand (participates in β ladder)trans-119.2135.6173.3-65.8163.6000108.2I138 F155 W156 T157 V163 L166 L179 V181 F191I138-L144 WeakPolarHBondContact O-CA 3.26Å; L144-F155 HydrophobicContact CB-CE1 4.01Å; L144-F155 HydrophobicContact CB-CZ 4.42Å; L144-W156 VanDerWaalsContact O-CA 3.25Å; L144-W156 WeakPolarHBondContact O-CA 3.44Å; L144-W156 VanDerWaalsContact O-CD1 3.31Å; L144-T157 HydrophobicContact CB-CG2 4.03Å; L144-T157 HydrophobicContact CD1-CG2 3.64Å; L144-T157 HydrophobicContact CG-CG2 4.39Å; L144-T157 PolarHBondContact N-O 2.96Å; L144-T157 PolarHBondContact O-N 2.71Å; L144-T157 VanDerWaalsContact O-N 3.16Å; L144-V163 HydrophobicContact CD2-CG1 4.36Å; L144-V163 HydrophobicContact CD2-CG2 3.79Å; L144-V163 HydrophobicContact CG-CG2 4.35Å; L144-L166 HydrophobicContact CD2-CD1 4.38Å; L144-L166 HydrophobicContact CD2-CD2 3.76Å; L144-L179 HydrophobicContact CD1-CD2 4.26Å; L144-L179 HydrophobicContact CD2-CD2 4.45Å; L144-V181 HydrophobicContact CD1-CG1 4.17Å; L144-V181 HydrophobicContact CD1-CG2 3.68Å; L144-V181 HydrophobicContact CD2-CG1 4.12Å; L144-V181 HydrophobicContact CD2-CG2 4.2Å; L144-F191 HydrophobicContact CD1-CD2 4.08Å; L144-F191 HydrophobicContact CD1-CE2 3.89Å; L144-F191 HydrophobicContact CD1-CZ 4.49Å
145Q93.9Very high92.8Very high22 Ų2222.6 Ų22.610%0.10311%0.107CC..EExtended strand (participates in β ladder)trans-136142.8179.2-39.7-168.8-21.300109.5D118 I137 I138 F147 F155D118-Q145 PolarHBondContact OD2-NE2 2.65Å; I137-Q145 CarbonylContact C-O 3.47Å; I137-Q145 WeakPolarHBondContact CA-O 3.17Å; I138-Q145 HydrophobicContact CD1-CB 4.17Å; I138-Q145 HydrophobicContact CD1-CG 4.42Å; I138-Q145 HydrophobicContact CG1-CB 3.8Å; I138-Q145 HydrophobicContact CG1-CG 4.34Å; I138-Q145 WeakPolarHBondContact CG1-O 3.3Å; I138-Q145 PolarHBondContact N-O 2.75Å; I138-Q145 PolarHBondContact O-N 3.04Å; Q145-F147 HydrophobicContact CB-CE2 3.95Å; Q145-F147 HydrophobicContact CB-CZ 4.09Å; Q145-F155 CarbonylContact C-O 3.56Å; Q145-F155 VanDerWaalsContact CA-O 3.28Å; Q145-F155 WeakPolarHBondContact CA-O 3.45Å
146G95.1Very high92.6Very high0 Ų024.1 Ų24.10%011%0.113CC..EExtended strand (participates in β ladder)trans-129.8121179.200000111.5A136 Q154 F155A136-G146 WeakPolarHBondContact O-CA 3.27Å; G146-Q154 PolarHBondContact O-N 2.92Å; G146-F155 PolarHBondContact N-O 2.78Å; G146-F155 PolarHBondContact O-N 2.96Å
147F95.1Very high92.3Very high11 Ų1124.3 Ų24.35%0.04811%0.114CC..EExtended strand (participates in β ladder)trans-108.6138.9-177-58.4-79.9000112.2L100 F112 V116 L135 A136 I138 Q145 N152 D153L100-F147 HydrophobicContact CD2-CD2 3.49Å; L100-F147 VanDerWaalsContact CD2-CD2 3.49Å; L100-F147 HydrophobicContact CD2-CE2 3.88Å; L100-F147 HydrophobicContact CD2-CG 4.39Å; F112-F147 HydrophobicContact CZ-CB 4.02Å; V116-F147 HydrophobicContact CG2-CE2 4.47Å; L135-F147 CarbonylContact C-O 3.59Å; L135-F147 WeakPolarHBondContact CA-O 3.46Å; A136-F147 PolarHBondContact N-O 2.98Å; A136-F147 PolarHBondContact O-N 2.67Å; I138-F147 HydrophobicContact CD1-CE2 3.68Å; I138-F147 HydrophobicContact CG1-CE2 4Å; Q145-F147 HydrophobicContact CB-CE2 3.95Å; Q145-F147 HydrophobicContact CB-CZ 4.09Å; F147-N152 VanDerWaalsContact CA-O 3.29Å; F147-N152 WeakPolarHBondContact CA-O 3.2Å; F147-D153 HydrophobicContact CD1-CB 4.37Å; F147-D153 HydrophobicContact CE1-CB 4.13Å
148D93.8Very high91.9Very high8 Ų824.5 Ų24.54%0.04312%0.115CC..  trans-79.8-176.2169.367.316.8000112.4F112 L135 E150 G151 N152 Q154F112-D148 VanDerWaalsContact CE1-O 3.27Å; F112-D148 WeakPolarHBondContact CE1-O 3.38Å; L135-D148 HydrophobicContact CD2-CB 4.22Å; D148-E150 PolarHBondContact O-N 2.82Å; D148-E150 WeakPolarHBondContact OD1-CA 3.13Å; D148-E150 WeakPolarHBondContact OD1-CB 3.24Å; D148-E150 PolarHBondContact OD1-N 3.37Å; D148-G151 PolarHBondContact O-N 3.33Å; D148-G151 PolarHBondContact OD1-N 3.48Å; D148-N152 PolarHBondContact N-O 3.39Å; D148-N152 VanDerWaalsContact N-O 3.1Å; D148-N152 PolarHBondContact OD1-N 2.79Å; D148-N152 WeakPolarHBondContact OD2-CB 3.29Å; D148-N152 PolarHBondContact OD2-ND2 3.16Å; D148-Q154 HydrophobicContact CB-CG 4.3Å; D148-Q154 PolarHBondContact OD2-NE2 3.27Å
149Y91.2Very high91.5Very high93 Ų9324.5 Ų24.537%0.36512%0.115SC..THydrogen-bonded Turntrans-65.3-17.7179.872.7-89.8000114.1I111 G151I111-Y149 WeakPolarHBondContact CG2-O 3.32Å; Y149-G151 VanDerWaalsContact C-N 3.34Å
150E91.1Very high90.9Very high103 Ų10324.9 Ų24.948%0.48112%0.119SC..THydrogen-bonded Turntrans-91.1-5.9174.5-56.1-175.1165.100111.5D148 N152D148-E150 PolarHBondContact O-N 2.82Å; D148-E150 WeakPolarHBondContact OD1-CA 3.13Å; D148-E150 WeakPolarHBondContact OD1-CB 3.24Å; D148-E150 PolarHBondContact OD1-N 3.37Å; E150-N152 PolarHBondContact OE2-ND2 2.81Å
151G90.1Very high90.8Very high0 Ų026.2 Ų26.20%013%0.126CC..  trans7623.7-173.600000112.8R114 D148 Y149R114-G151 PolarHBondContact NE-O 2.82Å; R114-G151 PolarHBondContact NH2-O 3.22Å; D148-G151 PolarHBondContact O-N 3.33Å; D148-G151 PolarHBondContact OD1-N 3.48Å; Y149-G151 VanDerWaalsContact C-N 3.34Å
152N91.5Very high90.9Very high65 Ų6526.7 Ų26.735%0.34813%0.129SC..  trans-79.8138.6170.9-56-49.6000110F147 D148 E150 Q154F147-N152 VanDerWaalsContact CA-O 3.29Å; F147-N152 WeakPolarHBondContact CA-O 3.2Å; D148-N152 PolarHBondContact N-O 3.39Å; D148-N152 VanDerWaalsContact N-O 3.1Å; D148-N152 PolarHBondContact OD1-N 2.79Å; D148-N152 WeakPolarHBondContact OD2-CB 3.29Å; D148-N152 PolarHBondContact OD2-ND2 3.16Å; E150-N152 PolarHBondContact OE2-ND2 2.81Å; N152-Q154 PolarHBondContact O-N 2.94Å
153D90.1Very high91.3Very high59 Ų5926.7 Ų26.732%0.31613%0.129SC..EExtended strand (participates in β ladder)trans-76.9103.2176.7171.724.1000110.1F147 F155 R695 K699F147-D153 HydrophobicContact CD1-CB 4.37Å; F147-D153 HydrophobicContact CE1-CB 4.13Å; D153-F155 VanDerWaalsContact OD1-O 3.07Å; D153-R695 IonicContact OD1-NH2 3.15Å; D153-R695 IonicContact OD2-CZ 3.79Å; D153-R695 IonicContact OD2-NH1 3.19Å; D153-R695 PolarHBondContact OD2-NH1 3.34Å; D153-R695 IonicContact OD2-NH2 2.72Å; D153-R695 PolarHBondContact OD2-NH2 2.9Å; D153-K699 IonicContact OD2-NZ 3.36Å
154Q90.9Very high91.5Very high88 Ų8830.6 Ų30.641%0.41114%0.143SC..EExtended strand (participates in β ladder)trans-100.7-17.6179.8-65.1-161.27.500113.3S133 L135 G146 D148 N152S133-Q154 PolarHBondContact OG-OE1 3.47Å; L135-Q154 HydrophobicContact CD1-CB 4.5Å; L135-Q154 HydrophobicContact CD2-CB 3.98Å; L135-Q154 HydrophobicContact CD2-CG 4.28Å; G146-Q154 PolarHBondContact O-N 2.92Å; D148-Q154 HydrophobicContact CB-CG 4.3Å; D148-Q154 PolarHBondContact OD2-NE2 3.27Å; N152-Q154 PolarHBondContact O-N 2.94Å
155F91.3Very high91.7Very high10 Ų1031 Ų314%0.04415%0.146CC..EExtended strand (participates in β ladder)trans-139.9130.5-176.4167.4-111.2000110L128 L135 I137 L144 Q145 G146 D153 T157 L179 E193L128-F155 HydrophobicContact CD2-CD1 4.01Å; L128-F155 HydrophobicContact CD2-CD2 3.89Å; L128-F155 HydrophobicContact CD2-CE1 4.17Å; L128-F155 HydrophobicContact CD2-CE2 4.11Å; L128-F155 HydrophobicContact CD2-CG 3.85Å; L128-F155 HydrophobicContact CD2-CZ 4.22Å; L135-F155 HydrophobicContact CD1-CB 4Å; I137-F155 HydrophobicContact CG2-CD1 4.26Å; I137-F155 HydrophobicContact CG2-CE1 4.13Å; L144-F155 HydrophobicContact CB-CE1 4.01Å; L144-F155 HydrophobicContact CB-CZ 4.42Å; Q145-F155 CarbonylContact C-O 3.56Å; Q145-F155 VanDerWaalsContact CA-O 3.28Å; Q145-F155 WeakPolarHBondContact CA-O 3.45Å; G146-F155 PolarHBondContact N-O 2.78Å; G146-F155 PolarHBondContact O-N 2.96Å; D153-F155 VanDerWaalsContact OD1-O 3.07Å; F155-T157 HydrophobicContact CE2-CG2 4.09Å; F155-T157 HydrophobicContact CZ-CG2 3.64Å; F155-L179 HydrophobicContact CE1-CD2 3.85Å; F155-L179 HydrophobicContact CZ-CD2 4.14Å; F155-E193 WeakPolarHBondContact CE2-O 3.3Å
156W91.5Very high91.8Very high32 Ų3230.8 Ų30.812%0.12115%0.145CC..EExtended strand (participates in β ladder)trans-150.6138.5170.3-176.798.6000111.4L144 V158 I675 I691 R695L144-W156 VanDerWaalsContact O-CA 3.25Å; L144-W156 WeakPolarHBondContact O-CA 3.44Å; L144-W156 VanDerWaalsContact O-CD1 3.31Å; W156-V158 HydrophobicContact CH2-CB 4.36Å; W156-I675 HydrophobicContact CH2-CD1 4.39Å; W156-I691 HydrophobicContact CE3-CG2 4.47Å; W156-I691 HydrophobicContact CZ3-CG2 3.74Å; W156-R695 VanDerWaalsContact CD2-CD 3.49Å; W156-R695 HydrophobicContact CD2-CG 4.12Å; W156-R695 VanDerWaalsContact CD2-CZ 3.49Å; W156-R695 HydrophobicContact CE3-CB 4.15Å; W156-R695 HydrophobicContact CE3-CG 3.83Å; W156-R695 HydrophobicContact CH2-CB 3.93Å; W156-R695 HydrophobicContact CH2-CG 3.79Å; W156-R695 HydrophobicContact CZ2-CG 4.08Å; W156-R695 HydrophobicContact CZ3-CB 3.62Å; W156-R695 HydrophobicContact CZ3-CG 3.65Å
157T90.1Very high92Very high3 Ų331.5 Ų31.52%0.01815%0.15CC..EExtended strand (participates in β ladder)trans-153.1172.1169-166.10000110.1L144 F155 F191L144-T157 HydrophobicContact CB-CG2 4.03Å; L144-T157 HydrophobicContact CD1-CG2 3.64Å; L144-T157 HydrophobicContact CG-CG2 4.39Å; L144-T157 PolarHBondContact N-O 2.96Å; L144-T157 PolarHBondContact O-N 2.71Å; L144-T157 VanDerWaalsContact O-N 3.16Å; F155-T157 HydrophobicContact CE2-CG2 4.09Å; F155-T157 HydrophobicContact CZ-CG2 3.64Å; T157-F191 HydrophobicContact CG2-CD1 4.06Å; T157-F191 HydrophobicContact CG2-CE1 4Å; T157-F191 HydrophobicContact CG2-CG 4.42Å; T157-F191 HydrophobicContact CG2-CZ 4.31Å
158V88.9Confident92Very high4 Ų431.9 Ų31.92%0.02415%0.152CC..EExtended strand (participates in β ladder)trans-110.9141.5-178.974.80000109.7C142 W156 N672 I675 Q676 I691C142-V158 CarbonylContact O-C 3.49Å; C142-V158 WeakPolarHBondContact O-CA 3.45Å; C142-V158 WeakPolarHBondContact O-CG2 3.48Å; W156-V158 HydrophobicContact CH2-CB 4.36Å; V158-N672 HydrophobicContact CG2-CB 3.98Å; V158-N672 VanDerWaalsContact CG2-O 3.3Å; V158-N672 WeakPolarHBondContact CG2-O 3.39Å; V158-I675 HydrophobicContact CG1-CG2 4.17Å; V158-Q676 HydrophobicContact CG1-CB 3.93Å; V158-Q676 HydrophobicContact CG1-CG 4.34Å; V158-Q676 HydrophobicContact CG2-CB 4.14Å; V158-I691 HydrophobicContact CB-CG2 4.47Å; V158-I691 HydrophobicContact CG1-CD1 3.94Å; V158-I691 HydrophobicContact CG1-CG1 3.96Å; V158-I691 HydrophobicContact CG1-CG2 3.84Å
159T87.8Confident92.1Very high1 Ų131.5 Ų31.51%0.00615%0.15CC..  trans-118.3170.9174.4-174.20000110.1C142 D161 V163 S183 R189C142-T159 PolarHBondContact O-N 3.17Å; T159-D161 WeakPolarHBondContact CG2-O 3.39Å; T159-V163 HydrophobicContact CG2-CG2 3.55Å; T159-S183 PolarHBondContact OG1-OG 3.05Å; T159-R189 PolarHBondContact OG1-NH1 3.43Å
160G81.4Confident92.3Very high8 Ų828.4 Ų28.48%0.08214%0.14CC..SBendtrans-65.2-44.4-175.200000113.9C142 D185C142-G160 PolarHBondContact SG-O 3.4Å; G160-D185 WeakPolarHBondContact CA-OD2 3.14Å
161D89.6Confident92.4Very high30 Ų3024.1 Ų24.116%0.1612%0.12CC..SBendtrans-141.6-175.7-178-146.1-30000112C142 T159 V163 E184 D185 K669C142-D161 WeakPolarHBondContact SG-CA 3.47Å; T159-D161 WeakPolarHBondContact CG2-O 3.39Å; D161-V163 PolarHBondContact O-N 3.33Å; D161-E184 HydrophobicContact CB-CB 4.15Å; D161-D185 HydrophobicContact CB-CB 3.89Å; D161-K669 WeakPolarHBondContact OD1-CE 3.27Å; D161-K669 IonicContact OD1-NZ 3.22Å; D161-K669 PolarHBondContact OD1-NZ 3.37Å; D161-K669 IonicContact OD2-NZ 2.7Å
162N92.8Very high92.5Very high24 Ų2426.7 Ų26.713%0.12814%0.136CC..  trans-51.1128.5176.9-65.4-19.2000110.7N141 S183 E184N141-N162 WeakPolarHBondContact CA-OD1 3.28Å; N141-N162 PolarHBondContact OD1-OD1 3.03Å; N162-S183 CarbonylContact O-C 3.34Å; N162-S183 WeakPolarHBondContact O-CA 3.38Å; N162-E184 HydrophobicContact CB-CB 4.37Å; N162-E184 HydrophobicContact CB-CG 3.92Å; N162-E184 WeakPolarHBondContact CB-OE2 3.25Å; N162-E184 PolarHBondContact ND2-OE2 3.44Å; N162-E184 PolarHBondContact O-N 2.96Å
163V96Very high92.5Very high0 Ų026.3 Ų26.30%015%0.147CC..EExtended strand (participates in β ladder)trans-76.1133177.4-178.30000109.1N121 A122 G140 L144 T159 D161 L166 V181N121-V163 WeakPolarHBondContact CB-O 3.45Å; A122-V163 HydrophobicContact CB-CG1 4.27Å; G140-V163 PolarHBondContact O-N 3.49Å; L144-V163 HydrophobicContact CD2-CG1 4.36Å; L144-V163 HydrophobicContact CD2-CG2 3.79Å; L144-V163 HydrophobicContact CG-CG2 4.35Å; T159-V163 HydrophobicContact CG2-CG2 3.55Å; D161-V163 PolarHBondContact O-N 3.33Å; V163-L166 HydrophobicContact CG1-CD1 4.4Å; V163-L166 HydrophobicContact CG1-CD2 3.68Å; V163-L166 HydrophobicContact CG1-CG 3.83Å; V163-V181 HydrophobicContact CB-CG1 4.48Å; V163-V181 HydrophobicContact CG1-CG1 3.86Å; V163-V181 HydrophobicContact CG2-CG1 3.89Å
164R95.9Very high92.7Very high82 Ų8226.9 Ų26.931%0.30915%0.15SC..EExtended strand (participates in β ladder)trans-118.7-22.9-179.7-63.6-59-68.1139.4-2.4113.6G182 E184 T205 V206R164-G182 PolarHBondContact N-O 3.41Å; R164-E184 WeakPolarHBondContact CD-OE1 3.11Å; R164-E184 HydrophobicContact CG-CG 3.56Å; R164-E184 IonicContact NE-OE1 3.17Å; R164-T205 HydrophobicContact CB-CG2 4.32Å; R164-T205 HydrophobicContact CG-CG2 3.78Å; R164-V206 VanDerWaalsContact CB-O 3.27Å; R164-V206 WeakPolarHBondContact CB-O 3.45Å
165S96.8Very high92.7Very high8 Ų825.8 Ų25.86%0.05616%0.163CC..EExtended strand (participates in β ladder)trans-150.8146.8176.552.60000111.4G182 V206S165-G182 PolarHBondContact N-O 3.09Å; S165-G182 PolarHBondContact O-N 2.97Å; S165-V206 PolarHBondContact OG-O 2.83Å; S165-V206 VanDerWaalsContact OG-O 3.07Å
166L97.8Very high92.8Very high17 Ų1729 Ų299%0.08918%0.177CC..EExtended strand (participates in β ladder)trans-136.3140.7179.7-68.4177.6000109.2A122 V124 I137 L144 V163 L179 L180 V181A122-L166 HydrophobicContact CB-CD1 4.27Å; A122-L166 HydrophobicContact CB-CG 4.06Å; V124-L166 HydrophobicContact CB-CB 4.09Å; V124-L166 HydrophobicContact CG1-CB 3.82Å; V124-L166 HydrophobicContact CG1-CD1 4.37Å; I137-L166 HydrophobicContact CG2-CD1 4.35Å; L144-L166 HydrophobicContact CD2-CD1 4.38Å; L144-L166 HydrophobicContact CD2-CD2 3.76Å; V163-L166 HydrophobicContact CG1-CD1 4.4Å; V163-L166 HydrophobicContact CG1-CD2 3.68Å; V163-L166 HydrophobicContact CG1-CG 3.83Å; L166-L179 HydrophobicContact CB-CD1 4.49Å; L166-L179 HydrophobicContact CD2-CD1 4.19Å; L166-L179 HydrophobicContact CD2-CD2 4.46Å; L166-L179 HydrophobicContact CD2-CG 4.4Å; L166-L180 WeakPolarHBondContact CA-O 3.37Å; L166-V181 HydrophobicContact CD2-CB 4.08Å; L166-V181 HydrophobicContact CD2-CG1 3.93Å; L166-V181 HydrophobicContact CD2-CG2 3.68Å
167V97.5Very high92.9Very high16 Ų1630.3 Ų30.310%0.09719%0.186CC..EExtended strand (participates in β ladder)trans-150.4147.8168.772.20000111.1L180 L209 H211V167-L180 HydrophobicContact CG1-CB 3.74Å; V167-L180 HydrophobicContact CG1-CD2 4.15Å; V167-L180 HydrophobicContact CG1-CG 4.49Å; V167-L180 PolarHBondContact N-O 3.08Å; V167-L180 PolarHBondContact O-N 3.16Å; V167-L209 HydrophobicContact CB-CB 4.09Å; V167-L209 HydrophobicContact CG1-CB 3.64Å; V167-L209 HydrophobicContact CG1-CD1 4.45Å; V167-H211 HydrophobicContact CG2-CB 3.87Å
168L96.7Very high93.3Very high18 Ų1830.1 Ų30.19%0.09419%0.185CC..EExtended strand (participates in β ladder)trans-93.4129.1172.4-70.3168.8000109.3V124 G126 L128 I137 N177 E178 L179V124-L168 HydrophobicContact CG1-CG 4.28Å; V124-L168 HydrophobicContact CG2-CD1 4.17Å; V124-L168 HydrophobicContact CG2-CG 4.09Å; G126-L168 VanDerWaalsContact CA-CD1 3.42Å; L128-L168 HydrophobicContact CD1-CD2 4Å; I137-L168 HydrophobicContact CD1-CD2 4.06Å; L168-N177 HydrophobicContact CB-CB 4.13Å; L168-N177 HydrophobicContact CD2-CB 4.37Å; L168-E178 WeakPolarHBondContact CA-O 3.24Å; L168-L179 HydrophobicContact CD2-CB 4.39Å; L168-L179 HydrophobicContact CD2-CD1 4.04Å
169C95.1Very high93.7Very high0 Ų030 Ų300%018%0.184CC..EExtended strand (participates in β ladder)trans-151135.1-177.5174.60000109.1F171 E178 L180 H211 G214C169-F171 VanDerWaalsContact C-N 3.26Å; C169-F171 PolarHBondContact O-N 3.08Å; C169-E178 PolarHBondContact N-O 3.22Å; C169-E178 WeakPolarHBondContact O-CA 3.41Å; C169-E178 PolarHBondContact O-N 2.94Å; C169-E178 VanDerWaalsContact O-O 3.14Å; C169-L180 HydrophobicContact CB-CD1 3.79Å; C169-L180 HydrophobicContact CB-CD2 4.28Å; C169-H211 PolarHBondContact SG-CD2 3.06Å; C169-G214 PolarHBondContact SG-O 2.67Å; C169-G214 VanDerWaalsContact SG-O 3.41Å
170D95.4Very high94.1Very high29 Ų2929.9 Ų29.916%0.15518%0.184CC..  trans-73.584167.8179.910000109.1G173 D174 G175 G214 S215D170-G173 WeakPolarHBondContact OD1-CA 3.38Å; D170-G173 PolarHBondContact OD1-N 3.41Å; D170-G173 WeakPolarHBondContact OD2-CA 3.32Å; D170-D174 PolarHBondContact OD1-N 3.31Å; D170-G175 VanDerWaalsContact OD2-CA 3.27Å; D170-G175 WeakPolarHBondContact OD2-CA 3.39Å; D170-G175 PolarHBondContact OD2-N 2.87Å; D170-G214 CarbonylContact O-C 3.56Å; D170-S215 VanDerWaalsContact O-CA 3.31Å; D170-S215 WeakPolarHBondContact O-CA 3.49Å
171F94.1Very high94.9Very high12 Ų1229.5 Ų29.55%0.05318%0.18CC..SBendtrans-76.2-35-176.6-176-85.9000110.8C169 E178 L180 V190 F217 R231 T232C169-F171 VanDerWaalsContact C-N 3.26Å; C169-F171 PolarHBondContact O-N 3.08Å; F171-E178 WeakPolarHBondContact CA-OE2 3.47Å; F171-E178 HydrophobicContact CB-CB 4.34Å; F171-E178 WeakPolarHBondContact CB-OE2 3.3Å; F171-E178 PolarHBondContact N-OE2 3.31Å; F171-L180 HydrophobicContact CB-CD1 4.42Å; F171-L180 HydrophobicContact CD2-CD1 4.49Å; F171-V190 HydrophobicContact CB-CG1 3.9Å; F171-V190 HydrophobicContact CD1-CG1 3.96Å; F171-V190 HydrophobicContact CD1-CG2 4.4Å; F171-V190 HydrophobicContact CD2-CG1 4.23Å; F171-V190 HydrophobicContact CD2-CG2 3.82Å; F171-V190 HydrophobicContact CE1-CG2 4.31Å; F171-V190 HydrophobicContact CE2-CG2 3.68Å; F171-V190 HydrophobicContact CG-CG1 3.79Å; F171-V190 HydrophobicContact CG-CG2 4.17Å; F171-V190 HydrophobicContact CZ-CG2 3.95Å; F171-F217 HydrophobicContact CD2-CE1 4.16Å; F171-F217 AromaticContact CE2-CE1 3.96Å; F171-F217 HydrophobicContact CE2-CE1 3.96Å; F171-R231 HydrophobicContact CE1-CB 4.24Å; F171-R231 HydrophobicContact CE1-CG 4.42Å; F171-R231 VanDerWaalsContact CE2-C 3.47Å; F171-R231 HydrophobicContact CE2-CB 4.24Å; F171-R231 WeakPolarHBondContact CE2-O 3.4Å; F171-R231 VanDerWaalsContact CZ-C 3.49Å; F171-R231 HydrophobicContact CZ-CB 3.92Å; F171-R231 HydrophobicContact CZ-CG 4.46Å; F171-R231 WeakPolarHBondContact O-CG 3.3Å; F171-T232 HydrophobicContact CZ-CG2 4.05Å
172T92.3Very high95.3Very high55 Ų5528.1 Ų28.134%0.33717%0.172SC..SBendtrans-82.6-18.8-178.964.70000113.5D174 E178 K192 V197T172-D174 VanDerWaalsContact C-N 3.34Å; T172-D174 VanDerWaalsContact OG1-CG 3.31Å; T172-D174 PolarHBondContact OG1-OD1 3.39Å; T172-E178 WeakPolarHBondContact CG2-OE1 3.3Å; T172-E178 PolarHBondContact N-OE2 3.44Å; T172-E178 PolarHBondContact OG1-OE1 2.76Å; T172-E178 PolarHBondContact OG1-OE2 3.36Å; T172-K192 PolarHBondContact OG1-NZ 3.3Å; T172-V197 HydrophobicContact CG2-CG1 4.15Å
173G91.6Very high95.3Very high57 Ų5727 Ų2759%0.58817%0.166SC*.SBendtrans76.122.7-176.200000112.8D170 G175D170-G173 WeakPolarHBondContact OD1-CA 3.38Å; D170-G173 PolarHBondContact OD1-N 3.41Å; D170-G173 WeakPolarHBondContact OD2-CA 3.32Å; G173-G175 VanDerWaalsContact C-N 3.34Å
174D92.4Very high95.2Very high70 Ų7030 Ų3037%0.37418%0.18SC..SBendtrans-93.24.5-178.382.8-18.1000113.1D170 T172 K176 K192D170-D174 PolarHBondContact OD1-N 3.31Å; T172-D174 VanDerWaalsContact C-N 3.34Å; T172-D174 VanDerWaalsContact OG1-CG 3.31Å; T172-D174 PolarHBondContact OG1-OD1 3.39Å; D174-K176 VanDerWaalsContact C-N 3.3Å; D174-K176 WeakPolarHBondContact OD1-CA 3.46Å; D174-K176 VanDerWaalsContact OD1-CB 3.3Å; D174-K176 WeakPolarHBondContact OD1-CB 3.39Å; D174-K176 PolarHBondContact OD1-N 2.85Å; D174-K192 IonicContact OD1-NZ 2.67Å; D174-K192 IonicContact OD2-NZ 2.68Å; D174-K192 PolarHBondContact OD2-NZ 3.16Å
175G91.4Very high94.8Very high66 Ų6627.3 Ų27.368%0.6817%0.172SC*.SBendtrans81.45.9-178.400000113.8D170 G173D170-G175 VanDerWaalsContact OD2-CA 3.27Å; D170-G175 WeakPolarHBondContact OD2-CA 3.39Å; D170-G175 PolarHBondContact OD2-N 2.87Å; G173-G175 VanDerWaalsContact C-N 3.34Å
176K93.7Very high94.6Very high78 Ų7829.5 Ų29.534%0.33918%0.18SC..SBendtrans-117.1140.3175.7-57.9171.6-171.8163.30109.2N130 D174 E178N130-K176 WeakPolarHBondContact OD1-CD 3.39Å; N130-K176 WeakPolarHBondContact OD1-CE 3.04Å; N130-K176 PolarHBondContact OD1-NZ 3.01Å; D174-K176 VanDerWaalsContact C-N 3.3Å; D174-K176 WeakPolarHBondContact OD1-CA 3.46Å; D174-K176 VanDerWaalsContact OD1-CB 3.3Å; D174-K176 WeakPolarHBondContact OD1-CB 3.39Å; D174-K176 PolarHBondContact OD1-N 2.85Å; K176-E178 PolarHBondContact O-N 3.44Å
177N94.7Very high94.4Very high58 Ų5829.7 Ų29.731%0.3118%0.182SC..PPolyproline II helixtrans-78.5130.3-179.9-61-35.3000110.5K127 G129 L168K127-N177 WeakPolarHBondContact O-CB 3.3Å; G129-N177 PolarHBondContact N-O 3.48Å; L168-N177 HydrophobicContact CB-CB 4.13Å; L168-N177 HydrophobicContact CD2-CB 4.37Å
178E96.4Very high94.3Very high0 Ų029 Ų290%018%0.177CC..EExtended strand (participates in β ladder)trans-89.1160.6160.8-71.588.2-160.900111L168 C169 F171 T172 K176 V190 F191 K192L168-E178 WeakPolarHBondContact CA-O 3.24Å; C169-E178 PolarHBondContact N-O 3.22Å; C169-E178 WeakPolarHBondContact O-CA 3.41Å; C169-E178 PolarHBondContact O-N 2.94Å; C169-E178 VanDerWaalsContact O-O 3.14Å; F171-E178 WeakPolarHBondContact CA-OE2 3.47Å; F171-E178 HydrophobicContact CB-CB 4.34Å; F171-E178 WeakPolarHBondContact CB-OE2 3.3Å; F171-E178 PolarHBondContact N-OE2 3.31Å; T172-E178 WeakPolarHBondContact CG2-OE1 3.3Å; T172-E178 PolarHBondContact N-OE2 3.44Å; T172-E178 PolarHBondContact OG1-OE1 2.76Å; T172-E178 PolarHBondContact OG1-OE2 3.36Å; K176-E178 PolarHBondContact O-N 3.44Å; E178-V190 HydrophobicContact CB-CG1 3.79Å; E178-V190 HydrophobicContact CG-CG1 4.28Å; E178-F191 WeakPolarHBondContact CA-O 3.39Å; E178-F191 WeakPolarHBondContact CB-O 3.4Å; E178-K192 HydrophobicContact CG-CB 3.73Å; E178-K192 HydrophobicContact CG-CG 4.05Å; E178-K192 IonicContact OE1-NZ 3.73Å; E178-K192 PolarHBondContact OE1-NZ 2.93Å
179L97.4Very high94.2Very high0 Ų028.4 Ų28.40%017%0.174CC..EExtended strand (participates in β ladder)trans-96.9116.8176.7-17869.3000110.3V124 L128 I137 L144 F155 L166 L168 V181 V190 F191V124-L179 HydrophobicContact CG1-CD1 3.83Å; L128-L179 HydrophobicContact CD1-CB 3.77Å; I137-L179 HydrophobicContact CD1-CD1 4.16Å; I137-L179 HydrophobicContact CG2-CD1 4.16Å; I137-L179 HydrophobicContact CG2-CD2 3.79Å; L144-L179 HydrophobicContact CD1-CD2 4.26Å; L144-L179 HydrophobicContact CD2-CD2 4.45Å; F155-L179 HydrophobicContact CE1-CD2 3.85Å; F155-L179 HydrophobicContact CZ-CD2 4.14Å; L166-L179 HydrophobicContact CB-CD1 4.49Å; L166-L179 HydrophobicContact CD2-CD1 4.19Å; L166-L179 HydrophobicContact CD2-CD2 4.46Å; L166-L179 HydrophobicContact CD2-CG 4.4Å; L168-L179 HydrophobicContact CD2-CB 4.39Å; L168-L179 HydrophobicContact CD2-CD1 4.04Å; L179-V181 HydrophobicContact CD2-CG2 3.87Å; L179-V181 HydrophobicContact CG-CG2 3.79Å; L179-V190 CarbonylContact O-C 3.58Å; L179-V190 WeakPolarHBondContact O-CA 3.43Å; L179-F191 HydrophobicContact CB-CB 4.37Å; L179-F191 PolarHBondContact N-O 3.05Å; L179-F191 PolarHBondContact O-N 2.84Å
180L97.6Very high94.2Very high0 Ų028.4 Ų28.40%017%0.174CC..EExtended strand (participates in β ladder)trans-92.2129.5171.3-79.561000109.3L166 V167 C169 F171 R189 V190 L209 F217L166-L180 WeakPolarHBondContact CA-O 3.37Å; V167-L180 HydrophobicContact CG1-CB 3.74Å; V167-L180 HydrophobicContact CG1-CD2 4.15Å; V167-L180 HydrophobicContact CG1-CG 4.49Å; V167-L180 PolarHBondContact N-O 3.08Å; V167-L180 PolarHBondContact O-N 3.16Å; C169-L180 HydrophobicContact CB-CD1 3.79Å; C169-L180 HydrophobicContact CB-CD2 4.28Å; F171-L180 HydrophobicContact CB-CD1 4.42Å; F171-L180 HydrophobicContact CD2-CD1 4.49Å; L180-R189 CarbonylContact C-O 3.6Å; L180-R189 WeakPolarHBondContact CA-O 3.36Å; L180-V190 HydrophobicContact CD1-CG1 4.11Å; L180-V190 HydrophobicContact CD1-CG2 4.33Å; L180-V190 HydrophobicContact CG-CG2 4.17Å; L180-L209 HydrophobicContact CB-CD1 4.18Å; L180-F217 HydrophobicContact CD2-CB 4.13Å; L180-F217 HydrophobicContact CD2-CD1 3.52Å; L180-F217 HydrophobicContact CD2-CD2 3.73Å; L180-F217 HydrophobicContact CD2-CE1 3.73Å; L180-F217 HydrophobicContact CD2-CE2 3.93Å; L180-F217 HydrophobicContact CD2-CG 3.51Å; L180-F217 HydrophobicContact CD2-CZ 3.92Å
181V97.6Very high94.1Very high0 Ų027.4 Ų27.40%017%0.168CC..EExtended strand (participates in β ladder)trans-125.9111.7-171.7-175.40000109.6L144 V163 L166 L179 I188 R189 F191L144-V181 HydrophobicContact CD1-CG1 4.17Å; L144-V181 HydrophobicContact CD1-CG2 3.68Å; L144-V181 HydrophobicContact CD2-CG1 4.12Å; L144-V181 HydrophobicContact CD2-CG2 4.2Å; V163-V181 HydrophobicContact CB-CG1 4.48Å; V163-V181 HydrophobicContact CG1-CG1 3.86Å; V163-V181 HydrophobicContact CG2-CG1 3.89Å; L166-V181 HydrophobicContact CD2-CB 4.08Å; L166-V181 HydrophobicContact CD2-CG1 3.93Å; L166-V181 HydrophobicContact CD2-CG2 3.68Å; L179-V181 HydrophobicContact CD2-CG2 3.87Å; L179-V181 HydrophobicContact CG-CG2 3.79Å; V181-I188 WeakPolarHBondContact O-CA 3.21Å; V181-R189 PolarHBondContact N-O 3.1Å; V181-R189 PolarHBondContact O-N 2.84Å; V181-F191 HydrophobicContact CB-CD2 4.34Å; V181-F191 HydrophobicContact CB-CE2 4.21Å; V181-F191 HydrophobicContact CG2-CD2 3.59Å; V181-F191 HydrophobicContact CG2-CE2 3.86Å
182G97.1Very high93.9Very high0 Ų028.8 Ų28.80%017%0.174CC..EExtended strand (participates in β ladder)trans-91.4122.8172.600000111.1R164 S165R164-G182 PolarHBondContact N-O 3.41Å; S165-G182 PolarHBondContact N-O 3.09Å; S165-G182 PolarHBondContact O-N 2.97Å
183S93.5Very high93.7Very high0 Ų028.6 Ų28.60%017%0.169CC..EExtended strand (participates in β ladder)trans-115.2165.1-173-58.40000112.6T159 N162 D185 F186 D187 V206T159-S183 PolarHBondContact OG1-OG 3.05Å; N162-S183 CarbonylContact O-C 3.34Å; N162-S183 WeakPolarHBondContact O-CA 3.38Å; S183-D185 VanDerWaalsContact C-N 3.28Å; S183-D185 WeakPolarHBondContact CB-OD1 3.5Å; S183-D185 PolarHBondContact O-N 3.3Å; S183-F186 PolarHBondContact O-N 2.97Å; S183-D187 PolarHBondContact N-O 3.22Å; S183-D187 VanDerWaalsContact N-O 3.07Å; S183-V206 PolarHBondContact O-N 3.37Å
184E93.5Very high93Very high64 Ų6429.6 Ų29.630%0.29916%0.161SC..THydrogen-bonded Turntrans-72.1-16.2175.9-74.2-173.2167.500114D161 N162 R164 F186 T205D161-E184 HydrophobicContact CB-CB 4.15Å; N162-E184 HydrophobicContact CB-CB 4.37Å; N162-E184 HydrophobicContact CB-CG 3.92Å; N162-E184 WeakPolarHBondContact CB-OE2 3.25Å; N162-E184 PolarHBondContact ND2-OE2 3.44Å; N162-E184 PolarHBondContact O-N 2.96Å; R164-E184 WeakPolarHBondContact CD-OE1 3.11Å; R164-E184 HydrophobicContact CG-CG 3.56Å; R164-E184 IonicContact NE-OE1 3.17Å; E184-F186 WeakPolarHBondContact O-CD1 3.17Å; E184-F186 VanDerWaalsContact O-CE1 3.28Å; E184-F186 WeakPolarHBondContact O-CE1 3.46Å; E184-F186 PolarHBondContact O-N 3.38Å; E184-T205 HydrophobicContact CG-CG2 3.97Å
185D89.2Confident92.6Very high25 Ų2530.2 Ų30.213%0.13416%0.162CC..THydrogen-bonded Turntrans-76.51.3174.658.83.4000114.3G160 D161 S183 D187 R189 K448G160-D185 WeakPolarHBondContact CA-OD2 3.14Å; D161-D185 HydrophobicContact CB-CB 3.89Å; S183-D185 VanDerWaalsContact C-N 3.28Å; S183-D185 WeakPolarHBondContact CB-OD1 3.5Å; S183-D185 PolarHBondContact O-N 3.3Å; D185-D187 PolarHBondContact OD1-N 3.14Å; D185-R189 IonicContact OD1-NH1 3.98Å; D185-R189 PolarHBondContact OD1-NH1 3.15Å; D185-R189 IonicContact OD1-NH2 2.74Å; D185-R189 IonicContact OD2-CZ 2.92Å; D185-R189 IonicContact OD2-NH1 2.81Å; D185-R189 PolarHBondContact OD2-NH1 3.48Å; D185-R189 IonicContact OD2-NH2 2.76Å; D185-R189 PolarHBondContact OD2-NH2 2.76Å; D185-K448 PolarHBondContact O-NZ 3.45Å
186F92.4Very high92.4Very high54 Ų5428.8 Ų28.824%0.23714%0.139CC..SBendtrans82.811.1179.4-41.1-25.5000114.4S183 E184 E202 E204S183-F186 PolarHBondContact O-N 2.97Å; E184-F186 WeakPolarHBondContact O-CD1 3.17Å; E184-F186 VanDerWaalsContact O-CE1 3.28Å; E184-F186 WeakPolarHBondContact O-CE1 3.46Å; E184-F186 PolarHBondContact O-N 3.38Å; F186-E202 WeakPolarHBondContact CB-O 3.27Å; F186-E202 WeakPolarHBondContact O-CA 3.43Å; F186-E202 VanDerWaalsContact O-CB 3.24Å; F186-E202 WeakPolarHBondContact O-CB 3.41Å; F186-E202 PolarHBondContact O-N 3.39Å; F186-E204 VanDerWaalsContact CD1-CA 3.45Å; F186-E204 WeakPolarHBondContact CE1-OE1 3.46Å
187D92.1Very high92.1Very high22 Ų2227.9 Ų27.912%0.11814%0.139CC..EExtended strand (participates in β ladder)trans-100.1144.5179.7-63.5-40.7000112.7S183 D185 R189 E199 I200 A201S183-D187 PolarHBondContact N-O 3.22Å; S183-D187 VanDerWaalsContact N-O 3.07Å; D185-D187 PolarHBondContact OD1-N 3.14Å; D187-R189 HydrophobicContact CB-CG 4.41Å; D187-R189 IonicContact OD2-CZ 3.23Å; D187-R189 IonicContact OD2-NH2 2.69Å; D187-R189 PolarHBondContact OD2-NH2 2.9Å; D187-E199 HydrophobicContact CB-CG 4.26Å; D187-I200 WeakPolarHBondContact CA-O 3.36Å; D187-A201 VanDerWaalsContact OD1-CA 3.28Å; D187-A201 WeakPolarHBondContact OD1-CA 3.09Å; D187-A201 WeakPolarHBondContact OD1-CB 3.31Å
188I96.5Very high91.8Very high0 Ų026.1 Ų26.10%013%0.131CC..EExtended strand (participates in β ladder)trans-102.9114.6163.6-54173.1000107.4V181 I200 E202 V206 L209 F217 Y219 Y229V181-I188 WeakPolarHBondContact O-CA 3.21Å; I188-I200 HydrophobicContact CB-CB 4.3Å; I188-I200 PolarHBondContact N-O 3.44Å; I188-I200 PolarHBondContact O-N 2.92Å; I188-E202 HydrophobicContact CD1-CG 4.12Å; I188-E202 HydrophobicContact CG1-CG 4.44Å; I188-V206 HydrophobicContact CD1-CG1 4.29Å; I188-V206 HydrophobicContact CD1-CG2 4.33Å; I188-V206 HydrophobicContact CG1-CB 4.41Å; I188-V206 HydrophobicContact CG1-CG1 4.03Å; I188-V206 HydrophobicContact CG1-CG2 3.64Å; I188-L209 HydrophobicContact CD1-CD2 4.08Å; I188-L209 HydrophobicContact CG2-CD1 4.37Å; I188-L209 HydrophobicContact CG2-CD2 4.38Å; I188-F217 HydrophobicContact CD1-CE2 4.22Å; I188-F217 HydrophobicContact CG2-CE2 4.35Å; I188-Y219 HydrophobicContact CD1-CD2 4.44Å; I188-Y219 HydrophobicContact CD1-CG 4.34Å; I188-Y229 HydrophobicContact CD1-CE2 4.47Å
189R94.7Very high91.5Very high6 Ų629.2 Ų29.22%0.02315%0.146CC..EExtended strand (participates in β ladder)trans-108.4137.5-179.3-67.7-177.8-176.996.13.1111T159 L180 V181 D185 D187 F191 L196 S198 E199T159-R189 PolarHBondContact OG1-NH1 3.43Å; L180-R189 CarbonylContact C-O 3.6Å; L180-R189 WeakPolarHBondContact CA-O 3.36Å; V181-R189 PolarHBondContact N-O 3.1Å; V181-R189 PolarHBondContact O-N 2.84Å; D185-R189 IonicContact OD1-NH1 3.98Å; D185-R189 PolarHBondContact OD1-NH1 3.15Å; D185-R189 IonicContact OD1-NH2 2.74Å; D185-R189 IonicContact OD2-CZ 2.92Å; D185-R189 IonicContact OD2-NH1 2.81Å; D185-R189 PolarHBondContact OD2-NH1 3.48Å; D185-R189 IonicContact OD2-NH2 2.76Å; D185-R189 PolarHBondContact OD2-NH2 2.76Å; D187-R189 HydrophobicContact CB-CG 4.41Å; D187-R189 IonicContact OD2-CZ 3.23Å; D187-R189 IonicContact OD2-NH2 2.69Å; D187-R189 PolarHBondContact OD2-NH2 2.9Å; R189-F191 HydrophobicContact CB-CD2 4.27Å; R189-F191 HydrophobicContact CB-CE2 3.66Å; R189-F191 HydrophobicContact CB-CZ 4.23Å; R189-L196 HydrophobicContact CB-CD1 3.79Å; R189-L196 HydrophobicContact CG-CD1 4.15Å; R189-S198 WeakPolarHBondContact CA-O 3.44Å; R189-E199 HydrophobicContact CG-CB 4.48Å; R189-E199 HydrophobicContact CG-CG 4.07Å; R189-E199 IonicContact CZ-OE1 3.04Å; R189-E199 IonicContact NE-OE1 3.2Å; R189-E199 PolarHBondContact NE-OE1 2.76Å; R189-E199 IonicContact NH2-OE1 2.62Å; R189-E199 PolarHBondContact NH2-OE1 2.74Å
190V95.4Very high91.3Very high0 Ų029.9 Ų29.90%015%0.149CC..EExtended strand (participates in β ladder)trans-107.7114.1179.1-174.80000108.4F171 E178 L179 L180 V197 S198F171-V190 HydrophobicContact CB-CG1 3.9Å; F171-V190 HydrophobicContact CD1-CG1 3.96Å; F171-V190 HydrophobicContact CD1-CG2 4.4Å; F171-V190 HydrophobicContact CD2-CG1 4.23Å; F171-V190 HydrophobicContact CD2-CG2 3.82Å; F171-V190 HydrophobicContact CE1-CG2 4.31Å; F171-V190 HydrophobicContact CE2-CG2 3.68Å; F171-V190 HydrophobicContact CG-CG1 3.79Å; F171-V190 HydrophobicContact CG-CG2 4.17Å; F171-V190 HydrophobicContact CZ-CG2 3.95Å; E178-V190 HydrophobicContact CB-CG1 3.79Å; E178-V190 HydrophobicContact CG-CG1 4.28Å; L179-V190 CarbonylContact O-C 3.58Å; L179-V190 WeakPolarHBondContact O-CA 3.43Å; L180-V190 HydrophobicContact CD1-CG1 4.11Å; L180-V190 HydrophobicContact CD1-CG2 4.33Å; L180-V190 HydrophobicContact CG-CG2 4.17Å; V190-V197 HydrophobicContact CB-CB 4.35Å; V190-V197 HydrophobicContact CG1-CB 4.2Å; V190-V197 PolarHBondContact O-N 2.89Å; V190-S198 PolarHBondContact N-O 2.99Å
191F93.1Very high90.9Very high9 Ų932.3 Ų32.34%0.03917%0.169CC..EExtended strand (participates in β ladder)trans-107126.5177.4-67.4-84.1000111L144 T157 E178 L179 V181 R189 E195 L196L144-F191 HydrophobicContact CD1-CD2 4.08Å; L144-F191 HydrophobicContact CD1-CE2 3.89Å; L144-F191 HydrophobicContact CD1-CZ 4.49Å; T157-F191 HydrophobicContact CG2-CD1 4.06Å; T157-F191 HydrophobicContact CG2-CE1 4Å; T157-F191 HydrophobicContact CG2-CG 4.42Å; T157-F191 HydrophobicContact CG2-CZ 4.31Å; E178-F191 WeakPolarHBondContact CA-O 3.39Å; E178-F191 WeakPolarHBondContact CB-O 3.4Å; L179-F191 HydrophobicContact CB-CB 4.37Å; L179-F191 PolarHBondContact N-O 3.05Å; L179-F191 PolarHBondContact O-N 2.84Å; V181-F191 HydrophobicContact CB-CD2 4.34Å; V181-F191 HydrophobicContact CB-CE2 4.21Å; V181-F191 HydrophobicContact CG2-CD2 3.59Å; V181-F191 HydrophobicContact CG2-CE2 3.86Å; R189-F191 HydrophobicContact CB-CD2 4.27Å; R189-F191 HydrophobicContact CB-CE2 3.66Å; R189-F191 HydrophobicContact CB-CZ 4.23Å; F191-E195 CarbonylContact C-O 3.25Å; F191-E195 VanDerWaalsContact CA-O 3.3Å; F191-E195 WeakPolarHBondContact CA-O 3.11Å; F191-L196 HydrophobicContact CD1-CB 4.28Å; F191-L196 HydrophobicContact CD1-CD1 4.18Å; F191-L196 HydrophobicContact CE1-CB 4.1Å; F191-L196 HydrophobicContact CE1-CD1 3.84Å; F191-L196 HydrophobicContact CE2-CD1 4.34Å; F191-L196 HydrophobicContact CZ-CD1 3.94Å
192K89.9Confident90.6Very high41 Ų4132.5 Ų32.518%0.17817%0.17CC..EExtended strand (participates in β ladder)trans-102.597.9167.6-175.4179.6-162.8109.90107.5T172 D174 E178 D194 E195 V197T172-K192 PolarHBondContact OG1-NZ 3.3Å; D174-K192 IonicContact OD1-NZ 2.67Å; D174-K192 IonicContact OD2-NZ 2.68Å; D174-K192 PolarHBondContact OD2-NZ 3.16Å; E178-K192 HydrophobicContact CG-CB 3.73Å; E178-K192 HydrophobicContact CG-CG 4.05Å; E178-K192 IonicContact OE1-NZ 3.73Å; E178-K192 PolarHBondContact OE1-NZ 2.93Å; K192-D194 PolarHBondContact O-N 3.36Å; K192-D194 VanDerWaalsContact O-N 3.16Å; K192-E195 PolarHBondContact N-O 3.45Å; K192-E195 PolarHBondContact O-N 3.49Å; K192-V197 HydrophobicContact CB-CG2 3.49Å; K192-V197 VanDerWaalsContact CB-CG2 3.49Å; K192-V197 HydrophobicContact CD-CG2 4.49Å
193E86.9Confident90Very high50 Ų5034.5 Ų34.523%0.23418%0.181CC..THydrogen-bonded Turntrans53.6-120-169.2-58.7168.8-159.400109.7N130 F155N130-E193 VanDerWaalsContact CB-OE1 3.25Å; N130-E193 WeakPolarHBondContact CB-OE1 3.41Å; N130-E193 PolarHBondContact N-OE1 2.77Å; N130-E193 PolarHBondContact ND2-OE1 2.82Å; F155-E193 WeakPolarHBondContact CE2-O 3.3Å
194D78.4Confident89.9Confident78 Ų7837.4 Ų37.442%0.41720%0.195SC..THydrogen-bonded Turntrans-83.2-5.9178.865.6-27.6000114.3K192 N688K192-D194 PolarHBondContact O-N 3.36Å; K192-D194 VanDerWaalsContact O-N 3.16Å; D194-N688 PolarHBondContact O-ND2 3.49Å; D194-N688 PolarHBondContact O-OD1 3.22Å
195E83.6Confident89.9Confident84 Ų8435.4 Ų35.439%0.39319%0.187SC..EExtended strand (participates in β ladder)trans-97.2127.8-175.3-171.8177.6-177.300113.6F191 K192 V197 N688F191-E195 CarbonylContact C-O 3.25Å; F191-E195 VanDerWaalsContact CA-O 3.3Å; F191-E195 WeakPolarHBondContact CA-O 3.11Å; K192-E195 PolarHBondContact N-O 3.45Å; K192-E195 PolarHBondContact O-N 3.49Å; E195-V197 PolarHBondContact O-N 2.94Å; E195-N688 WeakPolarHBondContact CA-ND2 3.37Å
196L86.4Confident90.3Very high36 Ų3634.2 Ų34.219%0.18818%0.18CC..EExtended strand (participates in β ladder)trans-78.9111.6169.4-17972.3000110.2R189 F191R189-L196 HydrophobicContact CB-CD1 3.79Å; R189-L196 HydrophobicContact CG-CD1 4.15Å; F191-L196 HydrophobicContact CD1-CB 4.28Å; F191-L196 HydrophobicContact CD1-CD1 4.18Å; F191-L196 HydrophobicContact CE1-CB 4.1Å; F191-L196 HydrophobicContact CE1-CD1 3.84Å; F191-L196 HydrophobicContact CE2-CD1 4.34Å; F191-L196 HydrophobicContact CZ-CD1 3.94Å
197V88Confident90.5Very high58 Ų5832.1 Ų32.135%0.35217%0.172SC..EExtended strand (participates in β ladder)trans-85.6-44-178.71790000111.9T172 V190 K192 E195T172-V197 HydrophobicContact CG2-CG1 4.15Å; V190-V197 HydrophobicContact CB-CB 4.35Å; V190-V197 HydrophobicContact CG1-CB 4.2Å; V190-V197 PolarHBondContact O-N 2.89Å; K192-V197 HydrophobicContact CB-CG2 3.49Å; K192-V197 VanDerWaalsContact CB-CG2 3.49Å; K192-V197 HydrophobicContact CD-CG2 4.49Å; E195-V197 PolarHBondContact O-N 2.94Å
198S88.3Confident90.7Very high21 Ų2131.8 Ų31.815%0.14717%0.172CC..EExtended strand (participates in β ladder)trans-153.3151.8-174.3-172.50000111.4R189 V190 T232R189-S198 WeakPolarHBondContact CA-O 3.44Å; V190-S198 PolarHBondContact N-O 2.99Å; S198-T232 WeakPolarHBondContact OG-CG2 3.47Å
199E90.4Very high90.7Very high65 Ų6532.6 Ų32.630%0.30418%0.176SC..EExtended strand (participates in β ladder)trans-132.4126.5175-175.7166.2-156.300108.4D187 R189 R680D187-E199 HydrophobicContact CB-CG 4.26Å; R189-E199 HydrophobicContact CG-CB 4.48Å; R189-E199 HydrophobicContact CG-CG 4.07Å; R189-E199 IonicContact CZ-OE1 3.04Å; R189-E199 IonicContact NE-OE1 3.2Å; R189-E199 PolarHBondContact NE-OE1 2.76Å; R189-E199 IonicContact NH2-OE1 2.62Å; R189-E199 PolarHBondContact NH2-OE1 2.74Å; E199-R680 IonicContact OE1-NH1 3.01Å; E199-R680 PolarHBondContact OE1-NH1 3.12Å; E199-R680 IonicContact OE2-NH1 2.72Å
200I92.1Very high90.8Very high14 Ų1432.8 Ų32.87%0.07218%0.178CC..EExtended strand (participates in β ladder)trans-120.3115.2-179.1-57168.7000107.3D187 I188 F217 Y229 T232D187-I200 WeakPolarHBondContact CA-O 3.36Å; I188-I200 HydrophobicContact CB-CB 4.3Å; I188-I200 PolarHBondContact N-O 3.44Å; I188-I200 PolarHBondContact O-N 2.92Å; I200-F217 HydrophobicContact CD1-CZ 4.06Å; I200-Y229 HydrophobicContact CD1-CD1 4.43Å; I200-Y229 HydrophobicContact CG2-CE1 3.98Å; I200-Y229 HydrophobicContact CG2-CE2 4.23Å; I200-Y229 WeakPolarHBondContact CG2-OH 3.25Å; I200-T232 HydrophobicContact CG1-CG2 4.44Å
201A89.4Confident90.9Very high51 Ų5136.1 Ų36.142%0.42119%0.193SC..EExtended strand (participates in β ladder)trans-81127.1177.600000111.3D187D187-A201 VanDerWaalsContact OD1-CA 3.28Å; D187-A201 WeakPolarHBondContact OD1-CA 3.09Å; D187-A201 WeakPolarHBondContact OD1-CB 3.31Å
202E90.9Very high91Very high5 Ų536.3 Ų36.32%0.02319%0.194CC..  trans-108.8178.9168.4-69.3-66.7149.200110.6F186 I188 Y219 L221 Y229 R234F186-E202 WeakPolarHBondContact CB-O 3.27Å; F186-E202 WeakPolarHBondContact O-CA 3.43Å; F186-E202 VanDerWaalsContact O-CB 3.24Å; F186-E202 WeakPolarHBondContact O-CB 3.41Å; F186-E202 PolarHBondContact O-N 3.39Å; I188-E202 HydrophobicContact CD1-CG 4.12Å; I188-E202 HydrophobicContact CG1-CG 4.44Å; E202-Y219 VanDerWaalsContact CD-CE2 3.47Å; E202-Y219 HydrophobicContact CG-CD2 4.46Å; E202-Y219 HydrophobicContact CG-CE2 4.17Å; E202-Y219 WeakPolarHBondContact OE2-CE2 3.47Å; E202-Y219 PolarHBondContact OE2-OH 2.81Å; E202-L221 HydrophobicContact CB-CD1 4.05Å; E202-L221 HydrophobicContact CB-CD2 4.04Å; E202-L221 HydrophobicContact CG-CD1 4.47Å; E202-L221 HydrophobicContact CG-CD2 4.12Å; E202-Y229 WeakPolarHBondContact OE1-CE2 3.31Å; E202-Y229 VanDerWaalsContact OE1-CZ 3.23Å; E202-Y229 PolarHBondContact OE1-OH 2.79Å; E202-R234 IonicContact OE1-CZ 3.68Å; E202-R234 IonicContact OE1-NE 2.79Å; E202-R234 IonicContact OE1-NH2 3.88Å; E202-R234 PolarHBondContact OE1-NH2 3.39Å; E202-R234 IonicContact OE2-CZ 3.64Å; E202-R234 IonicContact OE2-NH2 3.87Å; E202-R234 PolarHBondContact OE2-NH2 3.46Å
203N85.9Confident91.2Very high42 Ų4237.7 Ų37.723%0.22520%0.201CC..SBendtrans-100.7-1.7-173.4-55.3-41.1000113.9E419N203-E419 HydrophobicContact CB-CB 4.1Å; N203-E419 VanDerWaalsContact ND2-CB 3.29Å; N203-E419 WeakPolarHBondContact ND2-CB 3.25Å; N203-E419 PolarHBondContact ND2-OE2 2.91Å
204E91.1Very high91.4Very high61 Ų6137.6 Ų37.629%0.28521%0.213SC..SBendtrans-161.5164.2-175.1-170.962.4-93.900110.2F186 V206 L221 A222 N223F186-E204 VanDerWaalsContact CD1-CA 3.45Å; F186-E204 WeakPolarHBondContact CE1-OE1 3.46Å; E204-V206 PolarHBondContact O-N 2.82Å; E204-L221 HydrophobicContact CB-CB 4.16Å; E204-L221 HydrophobicContact CB-CD1 4.22Å; E204-A222 HydrophobicContact CG-CB 3.84Å; E204-N223 HydrophobicContact CB-CB 4.22Å; E204-N223 WeakPolarHBondContact CB-ND2 3.27Å; E204-N223 HydrophobicContact CG-CB 3.86Å
205T93.8Very high92.2Very high22 Ų2235 Ų3514%0.13520%0.201CC..  trans-50.8128.1179.1-64.30000112.4R164 E184 T207 L221 A222R164-T205 HydrophobicContact CB-CG2 4.32Å; R164-T205 HydrophobicContact CG-CG2 3.78Å; E184-T205 HydrophobicContact CG-CG2 3.97Å; T205-T207 HydrophobicContact CG2-CG2 4.27Å; T205-T207 PolarHBondContact O-N 3.31Å; T205-L221 CarbonylContact O-C 3.55Å; T205-L221 VanDerWaalsContact O-CA 3.31Å; T205-L221 WeakPolarHBondContact O-CA 3.32Å; T205-A222 PolarHBondContact O-N 2.94Å
206V96.6Very high92.8Very high0 Ų032.6 Ų32.60%019%0.188CC..EExtended strand (participates in β ladder)trans-82102.1180-173.60000109.8R164 S165 S183 I188 E204 L209 L221R164-V206 VanDerWaalsContact CB-O 3.27Å; R164-V206 WeakPolarHBondContact CB-O 3.45Å; S165-V206 PolarHBondContact OG-O 2.83Å; S165-V206 VanDerWaalsContact OG-O 3.07Å; S183-V206 PolarHBondContact O-N 3.37Å; I188-V206 HydrophobicContact CD1-CG1 4.29Å; I188-V206 HydrophobicContact CD1-CG2 4.33Å; I188-V206 HydrophobicContact CG1-CB 4.41Å; I188-V206 HydrophobicContact CG1-CG1 4.03Å; I188-V206 HydrophobicContact CG1-CG2 3.64Å; E204-V206 PolarHBondContact O-N 2.82Å; V206-L209 HydrophobicContact CG1-CD1 4.39Å; V206-L209 HydrophobicContact CG1-CD2 3.94Å; V206-L209 HydrophobicContact CG1-CG 3.98Å; V206-L221 HydrophobicContact CB-CD2 4.3Å; V206-L221 HydrophobicContact CG2-CD2 3.88Å
207T96.1Very high93.3Very high10 Ų1030.9 Ų30.96%0.06118%0.18CC..EExtended strand (participates in β ladder)trans-91.2-23.1-167.754.80000114.9R17 T205 A220 A222R17-T207 PolarHBondContact NH1-O 3.43Å; R17-T207 VanDerWaalsContact NH2-CB 3.28Å; T205-T207 HydrophobicContact CG2-CG2 4.27Å; T205-T207 PolarHBondContact O-N 3.31Å; T207-A220 PolarHBondContact N-O 3.45Å; T207-A220 PolarHBondContact OG1-O 2.91Å; T207-A222 HydrophobicContact CG2-CB 3.71Å
208S96.6Very high93.8Very high15 Ų1528.1 Ų28.111%0.10516%0.163CC..EExtended strand (participates in β ladder)trans-154.8145.5175.3-58.20000110.2Y219 A220S208-Y219 WeakPolarHBondContact O-CA 3.33Å; S208-A220 PolarHBondContact N-O 3.09Å; S208-A220 PolarHBondContact O-N 3.02Å
209L97.9Very high94.3Very high17 Ų1727.1 Ų27.19%0.08916%0.156CC..EExtended strand (participates in β ladder)trans-131.1142.1173.3-68.9167.3000107.6V167 L180 I188 V206 F217 G218V167-L209 HydrophobicContact CB-CB 4.09Å; V167-L209 HydrophobicContact CG1-CB 3.64Å; V167-L209 HydrophobicContact CG1-CD1 4.45Å; L180-L209 HydrophobicContact CB-CD1 4.18Å; I188-L209 HydrophobicContact CD1-CD2 4.08Å; I188-L209 HydrophobicContact CG2-CD1 4.37Å; I188-L209 HydrophobicContact CG2-CD2 4.38Å; V206-L209 HydrophobicContact CG1-CD1 4.39Å; V206-L209 HydrophobicContact CG1-CD2 3.94Å; V206-L209 HydrophobicContact CG1-CG 3.98Å; L209-F217 HydrophobicContact CD2-CD2 4.06Å; L209-F217 HydrophobicContact CD2-CE2 4.23Å; L209-G218 WeakPolarHBondContact CA-O 3.37Å
210C96.7Very high94.6Very high9 Ų924 Ų246%0.06114%0.141CC..EExtended strand (participates in β ladder)trans-139.8133.6173.466.80000110.9F217 G218 I247 L260C210-F217 CarbonylContact O-C 3.57Å; C210-F217 WeakPolarHBondContact O-CA 3.35Å; C210-F217 WeakPolarHBondContact O-CB 3.43Å; C210-G218 PolarHBondContact N-O 3.49Å; C210-G218 PolarHBondContact O-N 2.75Å; C210-I247 HydrophobicContact CB-CD1 4.35Å; C210-I247 HydrophobicContact CB-CG1 4.12Å; C210-L260 WeakPolarHBondContact SG-CD1 3.44Å
211H96.9Very high94.8Very high71 Ų7123.4 Ų23.433%0.32914%0.138SC..EExtended strand (participates in β ladder)trans-71136.3171.6178.1-119.8000108.8V167 C169 G214 A249V167-H211 HydrophobicContact CG2-CB 3.87Å; C169-H211 PolarHBondContact SG-CD2 3.06Å; H211-G214 PolarHBondContact NE2-O 3Å; H211-A249 WeakPolarHBondContact O-CB 3.3Å
212M95.2Very high95Very high13 Ų1322.6 Ų22.66%0.06413%0.132CC..EExtended strand (participates in β ladder)trans-105.6-68.9176.9-62.9-171.973.700110.2R216 V228 A249 V258 L260 D274M212-R216 HydrophobicContact CB-CB 4.3Å; M212-R216 PolarHBondContact N-O 2.91Å; M212-V228 HydrophobicContact SD-CG1 3.96Å; M212-V228 HydrophobicContact SD-CG2 3.77Å; M212-A249 HydrophobicContact CB-CB 4.2Å; M212-A249 HydrophobicContact CG-CB 3.89Å; M212-V258 HydrophobicContact CB-CG2 3.8Å; M212-V258 HydrophobicContact CE-CG2 4.18Å; M212-V258 WeakPolarHBondContact CE-O 3.4Å; M212-V258 WeakPolarHBondContact O-CG2 3.43Å; M212-L260 HydrophobicContact CE-CB 4Å; M212-L260 HydrophobicContact SD-CB 4.44Å; M212-D274 HydrophobicContact CE-CB 3.56Å; M212-D274 HydrophobicContact SD-CB 4.34Å
213H93.1Very high95Very high70 Ų7024.3 Ų24.332%0.32414%0.141SC..EExtended strand (participates in β ladder)trans-166147.5176.257.1-86.9000109.6S215 R216 D274H213-S215 PolarHBondContact O-N 2.9Å; H213-R216 WeakPolarHBondContact O-CB 3.48Å; H213-R216 PolarHBondContact O-N 3.22Å; H213-D274 IonicContact CE1-OD2 2.74Å; H213-D274 PolarHBondContact CE1-OD2 2.93Å; H213-D274 IonicContact NE2-OD2 2.77Å
214G92.6Very high95.3Very high47 Ų4722.3 Ų22.349%0.48513%0.13SC..THydrogen-bonded Turntrans51.2-127.8-175.100000111.1C169 D170 H211C169-G214 PolarHBondContact SG-O 2.67Å; C169-G214 VanDerWaalsContact SG-O 3.41Å; D170-G214 CarbonylContact O-C 3.56Å; H211-G214 PolarHBondContact NE2-O 3Å
215S94.4Very high95.5Very high23 Ų2319.6 Ų19.616%0.16112%0.118CC..THydrogen-bonded Turntrans-87.54.9176.853.10000115D170 H213 D230 R231D170-S215 VanDerWaalsContact O-CA 3.31Å; D170-S215 WeakPolarHBondContact O-CA 3.49Å; H213-S215 PolarHBondContact O-N 2.9Å; S215-D230 PolarHBondContact OG-OD1 3.19Å; S215-R231 PolarHBondContact O-N 3.16Å
216R96.2Very high95.7Very high34 Ų3418.5 Ų18.513%0.12811%0.111CC..EExtended strand (participates in β ladder)trans-87.4136-179.3-67.6-169.8-176.6-167.5-1.1112.1M212 H213 Y229 D230 Y235 D274M212-R216 HydrophobicContact CB-CB 4.3Å; M212-R216 PolarHBondContact N-O 2.91Å; H213-R216 WeakPolarHBondContact O-CB 3.48Å; H213-R216 PolarHBondContact O-N 3.22Å; R216-Y229 VanDerWaalsContact CA-O 3.26Å; R216-Y229 WeakPolarHBondContact CA-O 3.31Å; R216-D230 HydrophobicContact CG-CB 3.85Å; R216-D230 IonicContact NE-OD2 3.38Å; R216-D230 IonicContact NH2-OD2 2.8Å; R216-Y235 VanDerWaalsContact NH2-CZ 3.25Å; R216-Y235 PolarHBondContact NH2-OH 3.1Å; R216-D274 IonicContact CZ-OD2 2.73Å; R216-D274 IonicContact NH1-OD2 3.92Å; R216-D274 PolarHBondContact NH1-OD2 3.47Å
217F97.8Very high95.7Very high0 Ų018.5 Ų18.50%011%0.111CC..EExtended strand (participates in β ladder)trans-142.9143.8176.963.8-84.6000111.4F171 L180 I188 I200 L209 C210 V228 Y229F171-F217 HydrophobicContact CD2-CE1 4.16Å; F171-F217 AromaticContact CE2-CE1 3.96Å; F171-F217 HydrophobicContact CE2-CE1 3.96Å; L180-F217 HydrophobicContact CD2-CB 4.13Å; L180-F217 HydrophobicContact CD2-CD1 3.52Å; L180-F217 HydrophobicContact CD2-CD2 3.73Å; L180-F217 HydrophobicContact CD2-CE1 3.73Å; L180-F217 HydrophobicContact CD2-CE2 3.93Å; L180-F217 HydrophobicContact CD2-CG 3.51Å; L180-F217 HydrophobicContact CD2-CZ 3.92Å; I188-F217 HydrophobicContact CD1-CE2 4.22Å; I188-F217 HydrophobicContact CG2-CE2 4.35Å; I200-F217 HydrophobicContact CD1-CZ 4.06Å; L209-F217 HydrophobicContact CD2-CD2 4.06Å; L209-F217 HydrophobicContact CD2-CE2 4.23Å; C210-F217 CarbonylContact O-C 3.57Å; C210-F217 WeakPolarHBondContact O-CA 3.35Å; C210-F217 WeakPolarHBondContact O-CB 3.43Å; F217-V228 WeakPolarHBondContact O-CA 3.44Å; F217-Y229 VanDerWaalsContact CE1-CB 3.46Å; F217-Y229 HydrophobicContact CE1-CG 4.35Å; F217-Y229 AromaticContact CE2-CD2 3.85Å; F217-Y229 HydrophobicContact CE2-CD2 3.85Å; F217-Y229 HydrophobicContact CE2-CG 4.1Å; F217-Y229 AromaticContact CZ-CD2 3.95Å; F217-Y229 HydrophobicContact CZ-CD2 3.95Å; F217-Y229 AromaticContact CZ-CG 3.76Å; F217-Y229 HydrophobicContact CZ-CG 3.76Å; F217-Y229 PolarHBondContact N-O 3.28Å; F217-Y229 PolarHBondContact O-N 2.63Å
218G97.9Very high95.8Very high0 Ų018 Ų180%011%0.108CC..EExtended strand (participates in β ladder)trans-86.6147.5170.200000110.6L209 C210 G227L209-G218 WeakPolarHBondContact CA-O 3.37Å; C210-G218 PolarHBondContact N-O 3.49Å; C210-G218 PolarHBondContact O-N 2.75Å; G218-G227 WeakPolarHBondContact CA-O 3.47Å
219Y98.1Very high95.9Very high0 Ų017.8 Ų17.80%011%0.105CC..EExtended strand (participates in β ladder)trans-135.1150.8175.477.1-78.9000111.3I188 E202 S208 L221 V226 G227 Y229 R234I188-Y219 HydrophobicContact CD1-CD2 4.44Å; I188-Y219 HydrophobicContact CD1-CG 4.34Å; E202-Y219 VanDerWaalsContact CD-CE2 3.47Å; E202-Y219 HydrophobicContact CG-CD2 4.46Å; E202-Y219 HydrophobicContact CG-CE2 4.17Å; E202-Y219 WeakPolarHBondContact OE2-CE2 3.47Å; E202-Y219 PolarHBondContact OE2-OH 2.81Å; S208-Y219 WeakPolarHBondContact O-CA 3.33Å; Y219-L221 HydrophobicContact CD2-CD2 3.8Å; Y219-L221 HydrophobicContact CD2-CG 4.05Å; Y219-L221 HydrophobicContact CE2-CD1 4.19Å; Y219-L221 HydrophobicContact CE2-CD2 4.04Å; Y219-L221 HydrophobicContact CE2-CG 3.94Å; Y219-V226 WeakPolarHBondContact O-CA 3.1Å; Y219-G227 VanDerWaalsContact CD1-C 3.41Å; Y219-G227 VanDerWaalsContact CD1-O 3.23Å; Y219-G227 WeakPolarHBondContact CD1-O 3.34Å; Y219-G227 VanDerWaalsContact CE1-C 3.41Å; Y219-G227 VanDerWaalsContact CE1-CA 3.43Å; Y219-G227 PolarHBondContact N-O 2.86Å; Y219-G227 PolarHBondContact O-N 2.85Å; Y219-Y229 AromaticContact CD1-CD2 3.48Å; Y219-Y229 HydrophobicContact CD1-CD2 3.48Å; Y219-Y229 VanDerWaalsContact CD1-CD2 3.48Å; Y219-Y229 AromaticContact CD1-CE2 3.7Å; Y219-Y229 HydrophobicContact CD1-CE2 3.7Å; Y219-Y229 AromaticContact CE1-CD2 3.56Å; Y219-Y229 HydrophobicContact CE1-CD2 3.56Å; Y219-Y229 AromaticContact CE1-CE2 3.41Å; Y219-Y229 HydrophobicContact CE1-CE2 3.41Å; Y219-Y229 VanDerWaalsContact CE1-CE2 3.41Å; Y219-Y229 HydrophobicContact CE2-CE2 4.41Å; Y219-Y229 HydrophobicContact CG-CD2 4.27Å; Y219-Y229 HydrophobicContact CG-CE2 4.31Å; Y219-Y229 AromaticContact CZ-CE2 3.79Å; Y219-R234 WeakPolarHBondContact OH-CD 3.48Å; Y219-R234 PolarHBondContact OH-NE 2.77Å; Y219-R234 VanDerWaalsContact OH-NE 3.07Å
220A97.6Very high95.7Very high0 Ų018.1 Ų18.10%011%0.107CC..EExtended strand (participates in β ladder)trans-134.5137.4175.400000111.4T207 S208 T225 V226 A244 I247T207-A220 PolarHBondContact N-O 3.45Å; T207-A220 PolarHBondContact OG1-O 2.91Å; S208-A220 PolarHBondContact N-O 3.09Å; S208-A220 PolarHBondContact O-N 3.02Å; A220-T225 CarbonylContact C-O 3.58Å; A220-T225 WeakPolarHBondContact CA-O 3.5Å; A220-V226 HydrophobicContact CB-CG2 4.19Å; A220-A244 HydrophobicContact CB-CB 3.85Å; A220-I247 HydrophobicContact CB-CD1 4.1Å; A220-I247 HydrophobicContact CB-CG2 4.08Å
221L96.2Very high95.6Very high1 Ų124.2 Ų24.21%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-109.8157.4-178.8-53.5-173.4000112.2E202 E204 T205 V206 Y219 N223 G224 T225E202-L221 HydrophobicContact CB-CD1 4.05Å; E202-L221 HydrophobicContact CB-CD2 4.04Å; E202-L221 HydrophobicContact CG-CD1 4.47Å; E202-L221 HydrophobicContact CG-CD2 4.12Å; E204-L221 HydrophobicContact CB-CB 4.16Å; E204-L221 HydrophobicContact CB-CD1 4.22Å; T205-L221 CarbonylContact O-C 3.55Å; T205-L221 VanDerWaalsContact O-CA 3.31Å; T205-L221 WeakPolarHBondContact O-CA 3.32Å; V206-L221 HydrophobicContact CB-CD2 4.3Å; V206-L221 HydrophobicContact CG2-CD2 3.88Å; Y219-L221 HydrophobicContact CD2-CD2 3.8Å; Y219-L221 HydrophobicContact CD2-CG 4.05Å; Y219-L221 HydrophobicContact CE2-CD1 4.19Å; Y219-L221 HydrophobicContact CE2-CD2 4.04Å; Y219-L221 HydrophobicContact CE2-CG 3.94Å; L221-N223 WeakPolarHBondContact CB-OD1 3.44Å; L221-N223 PolarHBondContact O-N 2.97Å; L221-N223 VanDerWaalsContact O-N 3.15Å; L221-G224 PolarHBondContact O-N 2.78Å; L221-G224 VanDerWaalsContact O-N 3.11Å; L221-T225 HydrophobicContact CD1-CG2 4.23Å; L221-T225 PolarHBondContact N-O 2.89Å
222A93.4Very high95.4Very high35 Ų3525 Ų2529%0.28914%0.139SC..THydrogen-bonded Turntrans-62.3-23.1179.600000113.1E204 T205 T207 G224 H243E204-A222 HydrophobicContact CG-CB 3.84Å; T205-A222 PolarHBondContact O-N 2.94Å; T207-A222 HydrophobicContact CG2-CB 3.71Å; A222-G224 PolarHBondContact O-N 3.16Å; A222-H243 PolarHBondContact O-CE1 2.99Å; A222-H243 PolarHBondContact O-ND1 3.35Å
223N90.8Very high95.3Very high40 Ų4026.9 Ų26.921%0.21416%0.157CC..THydrogen-bonded Turntrans-81.77.2177.865.613.2000114.3E204 L221 T225E204-N223 HydrophobicContact CB-CB 4.22Å; E204-N223 WeakPolarHBondContact CB-ND2 3.27Å; E204-N223 HydrophobicContact CG-CB 3.86Å; L221-N223 WeakPolarHBondContact CB-OD1 3.44Å; L221-N223 PolarHBondContact O-N 2.97Å; L221-N223 VanDerWaalsContact O-N 3.15Å; N223-T225 WeakPolarHBondContact OD1-CB 3.44Å; N223-T225 PolarHBondContact OD1-N 2.8Å; N223-T225 PolarHBondContact OD1-OG1 2.81Å
224G92.8Very high95.4Very high0 Ų027.6 Ų27.60%016%0.156CC..SBendtrans83.612.6-178.700000114.4L221 A222 S240 N242L221-G224 PolarHBondContact O-N 2.78Å; L221-G224 VanDerWaalsContact O-N 3.11Å; A222-G224 PolarHBondContact O-N 3.16Å; G224-S240 PolarHBondContact O-N 3.02Å; G224-N242 WeakPolarHBondContact CA-O 3.35Å
225T95.1Very high95.5Very high4 Ų430.3 Ų30.33%0.02515%0.153CC..EExtended strand (participates in β ladder)trans-78.2135.4170.2-55.50000110.5A220 L221 N223 R237 I238A220-T225 CarbonylContact C-O 3.58Å; A220-T225 WeakPolarHBondContact CA-O 3.5Å; L221-T225 HydrophobicContact CD1-CG2 4.23Å; L221-T225 PolarHBondContact N-O 2.89Å; N223-T225 WeakPolarHBondContact OD1-CB 3.44Å; N223-T225 PolarHBondContact OD1-N 2.8Å; N223-T225 PolarHBondContact OD1-OG1 2.81Å; T225-R237 HydrophobicContact CG2-CB 4.22Å; T225-I238 CarbonylContact C-O 3.39Å; T225-I238 WeakPolarHBondContact CA-O 2.96Å; T225-I238 WeakPolarHBondContact CG2-O 3.25Å
226V97.5Very high95.6Very high0 Ų030.2 Ų30.20%015%0.149CC..EExtended strand (participates in β ladder)trans-133.2140.4172.4178.30000108.2Y219 A220 W236 R237 I238 A244 I247 L260 T262 W264Y219-V226 WeakPolarHBondContact O-CA 3.1Å; A220-V226 HydrophobicContact CB-CG2 4.19Å; V226-W236 HydrophobicContact CG1-CH2 4.48Å; V226-R237 CarbonylContact O-C 3.51Å; V226-R237 VanDerWaalsContact O-CA 3.31Å; V226-R237 WeakPolarHBondContact O-CA 3.35Å; V226-I238 HydrophobicContact CB-CG1 4.25Å; V226-I238 PolarHBondContact N-O 2.94Å; V226-I238 PolarHBondContact O-N 2.72Å; V226-A244 HydrophobicContact CG2-CB 3.57Å; V226-I247 HydrophobicContact CG1-CG2 4.47Å; V226-L260 HydrophobicContact CG1-CD2 3.55Å; V226-T262 HydrophobicContact CG2-CG2 4.12Å; V226-W264 HydrophobicContact CG2-CH2 3.8Å; V226-W264 HydrophobicContact CG2-CZ2 4.33Å; V226-W264 HydrophobicContact CG2-CZ3 4.34Å
227G97.2Very high95.5Very high0 Ų033 Ų330%016%0.159CC..EExtended strand (participates in β ladder)trans-161.3-178.317800000113.2G218 Y219 W236G218-G227 WeakPolarHBondContact CA-O 3.47Å; Y219-G227 VanDerWaalsContact CD1-C 3.41Å; Y219-G227 VanDerWaalsContact CD1-O 3.23Å; Y219-G227 WeakPolarHBondContact CD1-O 3.34Å; Y219-G227 VanDerWaalsContact CE1-C 3.41Å; Y219-G227 VanDerWaalsContact CE1-CA 3.43Å; Y219-G227 PolarHBondContact N-O 2.86Å; Y219-G227 PolarHBondContact O-N 2.85Å; G227-W236 WeakPolarHBondContact CA-O 3.46Å
228V97.9Very high95.4Very high0 Ų035 Ų350%017%0.169CC..EExtended strand (participates in β ladder)trans-128.1134.1179.1175.60000109.7M212 F217 Y235 W236 L260M212-V228 HydrophobicContact SD-CG1 3.96Å; M212-V228 HydrophobicContact SD-CG2 3.77Å; F217-V228 WeakPolarHBondContact O-CA 3.44Å; V228-Y235 PolarHBondContact O-N 3.28Å; V228-W236 HydrophobicContact CB-CZ2 4.39Å; V228-W236 HydrophobicContact CG2-CH2 4.39Å; V228-W236 HydrophobicContact CG2-CZ2 3.48Å; V228-W236 VanDerWaalsContact CG2-CZ2 3.48Å; V228-W236 PolarHBondContact N-O 2.98Å; V228-W236 VanDerWaalsContact N-O 3.09Å; V228-L260 HydrophobicContact CG2-CB 4.48Å; V228-L260 HydrophobicContact CG2-CD2 3.87Å
229Y97.6Very high95.1Very high9 Ų939.7 Ų39.74%0.03519%0.19CC..EExtended strand (participates in β ladder)trans-107.7151170-86.2-77.6000110.9I188 I200 E202 R216 F217 Y219 A233 R234I188-Y229 HydrophobicContact CD1-CE2 4.47Å; I200-Y229 HydrophobicContact CD1-CD1 4.43Å; I200-Y229 HydrophobicContact CG2-CE1 3.98Å; I200-Y229 HydrophobicContact CG2-CE2 4.23Å; I200-Y229 WeakPolarHBondContact CG2-OH 3.25Å; E202-Y229 WeakPolarHBondContact OE1-CE2 3.31Å; E202-Y229 VanDerWaalsContact OE1-CZ 3.23Å; E202-Y229 PolarHBondContact OE1-OH 2.79Å; R216-Y229 VanDerWaalsContact CA-O 3.26Å; R216-Y229 WeakPolarHBondContact CA-O 3.31Å; F217-Y229 VanDerWaalsContact CE1-CB 3.46Å; F217-Y229 HydrophobicContact CE1-CG 4.35Å; F217-Y229 AromaticContact CE2-CD2 3.85Å; F217-Y229 HydrophobicContact CE2-CD2 3.85Å; F217-Y229 HydrophobicContact CE2-CG 4.1Å; F217-Y229 AromaticContact CZ-CD2 3.95Å; F217-Y229 HydrophobicContact CZ-CD2 3.95Å; F217-Y229 AromaticContact CZ-CG 3.76Å; F217-Y229 HydrophobicContact CZ-CG 3.76Å; F217-Y229 PolarHBondContact N-O 3.28Å; F217-Y229 PolarHBondContact O-N 2.63Å; Y219-Y229 AromaticContact CD1-CD2 3.48Å; Y219-Y229 HydrophobicContact CD1-CD2 3.48Å; Y219-Y229 VanDerWaalsContact CD1-CD2 3.48Å; Y219-Y229 AromaticContact CD1-CE2 3.7Å; Y219-Y229 HydrophobicContact CD1-CE2 3.7Å; Y219-Y229 AromaticContact CE1-CD2 3.56Å; Y219-Y229 HydrophobicContact CE1-CD2 3.56Å; Y219-Y229 AromaticContact CE1-CE2 3.41Å; Y219-Y229 HydrophobicContact CE1-CE2 3.41Å; Y219-Y229 VanDerWaalsContact CE1-CE2 3.41Å; Y219-Y229 HydrophobicContact CE2-CE2 4.41Å; Y219-Y229 HydrophobicContact CG-CD2 4.27Å; Y219-Y229 HydrophobicContact CG-CE2 4.31Å; Y219-Y229 AromaticContact CZ-CE2 3.79Å; Y229-A233 VanDerWaalsContact CD1-C 3.44Å; Y229-A233 WeakPolarHBondContact CD1-O 3.3Å; Y229-R234 HydrophobicContact CD1-CB 4.01Å; Y229-R234 HydrophobicContact CE1-CB 3.48Å; Y229-R234 VanDerWaalsContact CE1-CB 3.48Å; Y229-R234 HydrophobicContact CE1-CG 4.12Å; Y229-R234 HydrophobicContact CE2-CG 4.44Å; Y229-R234 PolarHBondContact OH-NE 2.98Å; Y229-R234 PolarHBondContact OH-NH2 3.12Å
230D95.4Very high94.7Very high25 Ų2541.6 Ų41.613%0.13420%0.203CC..EExtended strand (participates in β ladder)trans-124.4109.9159.4-173.81.1000107.2S215 R216 T232 A233 Y235S215-D230 PolarHBondContact OG-OD1 3.19Å; R216-D230 HydrophobicContact CG-CB 3.85Å; R216-D230 IonicContact NE-OD2 3.38Å; R216-D230 IonicContact NH2-OD2 2.8Å; D230-T232 PolarHBondContact O-N 3.41Å; D230-T232 VanDerWaalsContact O-N 3.16Å; D230-A233 PolarHBondContact N-O 3.32Å; D230-A233 PolarHBondContact O-N 2.89Å; D230-Y235 HydrophobicContact CB-CD2 3.83Å; D230-Y235 HydrophobicContact CB-CE2 3.27Å; D230-Y235 PolarHBondContact OD2-OH 2.79Å
231R93.4Very high94.4Very high137 Ų13751.1 Ų51.152%0.51725%0.245SC..THydrogen-bonded Turntrans52.8-118.8-166.4-64.3180-87-165.2-7.1110.8F171 S215F171-R231 HydrophobicContact CE1-CB 4.24Å; F171-R231 HydrophobicContact CE1-CG 4.42Å; F171-R231 VanDerWaalsContact CE2-C 3.47Å; F171-R231 HydrophobicContact CE2-CB 4.24Å; F171-R231 WeakPolarHBondContact CE2-O 3.4Å; F171-R231 VanDerWaalsContact CZ-C 3.49Å; F171-R231 HydrophobicContact CZ-CB 3.92Å; F171-R231 HydrophobicContact CZ-CG 4.46Å; F171-R231 WeakPolarHBondContact O-CG 3.3Å; S215-R231 PolarHBondContact O-N 3.16Å
232T93.1Very high94.3Very high87 Ų8753.5 Ų53.553%0.53426%0.257SS..THydrogen-bonded Turntrans-93.5-6.9179.355.70000113.6F171 S198 I200 D230F171-T232 HydrophobicContact CZ-CG2 4.05Å; S198-T232 WeakPolarHBondContact OG-CG2 3.47Å; I200-T232 HydrophobicContact CG1-CG2 4.44Å; D230-T232 PolarHBondContact O-N 3.41Å; D230-T232 VanDerWaalsContact O-N 3.16Å
233A93.6Very high94.3Very high53 Ų5356.2 Ų56.244%0.43826%0.264SS..EExtended strand (participates in β ladder)trans-92.4119.9-176.700000111Y229 D230Y229-A233 VanDerWaalsContact CD1-C 3.44Å; Y229-A233 WeakPolarHBondContact CD1-O 3.3Å; D230-A233 PolarHBondContact N-O 3.32Å; D230-A233 PolarHBondContact O-N 2.89Å
234R94.9Very high94.6Very high85 Ų8554.4 Ų54.432%0.32125%0.254SS..EExtended strand (participates in β ladder)trans-76.8123.3173.9-165.7-176-68.2160.3-9109.7E202 Y219 Y229E202-R234 IonicContact OE1-CZ 3.68Å; E202-R234 IonicContact OE1-NE 2.79Å; E202-R234 IonicContact OE1-NH2 3.88Å; E202-R234 PolarHBondContact OE1-NH2 3.39Å; E202-R234 IonicContact OE2-CZ 3.64Å; E202-R234 IonicContact OE2-NH2 3.87Å; E202-R234 PolarHBondContact OE2-NH2 3.46Å; Y219-R234 WeakPolarHBondContact OH-CD 3.48Å; Y219-R234 PolarHBondContact OH-NE 2.77Å; Y219-R234 VanDerWaalsContact OH-NE 3.07Å; Y229-R234 HydrophobicContact CD1-CB 4.01Å; Y229-R234 HydrophobicContact CE1-CB 3.48Å; Y229-R234 VanDerWaalsContact CE1-CB 3.48Å; Y229-R234 HydrophobicContact CE1-CG 4.12Å; Y229-R234 HydrophobicContact CE2-CG 4.44Å; Y229-R234 PolarHBondContact OH-NE 2.98Å; Y229-R234 PolarHBondContact OH-NH2 3.12Å
235Y94.6Very high94.7Very high103 Ų10355.9 Ų55.940%0.40426%0.262SS..EExtended strand (participates in β ladder)trans-82.5-50.3178.9-90-123.9000111.2R216 V228 D230R216-Y235 VanDerWaalsContact NH2-CZ 3.25Å; R216-Y235 PolarHBondContact NH2-OH 3.1Å; V228-Y235 PolarHBondContact O-N 3.28Å; D230-Y235 HydrophobicContact CB-CD2 3.83Å; D230-Y235 HydrophobicContact CB-CE2 3.27Å; D230-Y235 PolarHBondContact OD2-OH 2.79Å
236W96.3Very high94.8Very high22 Ų2256.5 Ų56.58%0.08327%0.266CS..EExtended strand (participates in β ladder)trans-154.4159.2176.261.6-92.6000110V226 G227 V228 I238 L260 R272 S273 D274V226-W236 HydrophobicContact CG1-CH2 4.48Å; G227-W236 WeakPolarHBondContact CA-O 3.46Å; V228-W236 HydrophobicContact CB-CZ2 4.39Å; V228-W236 HydrophobicContact CG2-CH2 4.39Å; V228-W236 HydrophobicContact CG2-CZ2 3.48Å; V228-W236 VanDerWaalsContact CG2-CZ2 3.48Å; V228-W236 PolarHBondContact N-O 2.98Å; V228-W236 VanDerWaalsContact N-O 3.09Å; W236-I238 HydrophobicContact CE3-CG2 4.08Å; W236-I238 HydrophobicContact CZ3-CD1 4.38Å; W236-I238 HydrophobicContact CZ3-CG1 4.21Å; W236-I238 HydrophobicContact CZ3-CG2 4.05Å; W236-L260 HydrophobicContact CH2-CD2 3.87Å; W236-L260 HydrophobicContact CZ2-CB 4.46Å; W236-L260 HydrophobicContact CZ2-CD2 4.05Å; W236-R272 HydrophobicContact CH2-CB 4.02Å; W236-R272 HydrophobicContact CZ2-CB 4.11Å; W236-S273 PolarHBondContact NE1-O 3.24Å; W236-S273 VanDerWaalsContact NE1-O 3.12Å; W236-D274 VanDerWaalsContact CD1-O 3.28Å; W236-D274 PolarHBondContact NE1-O 3.47Å
237R94.9Very high94.8Very high92 Ų9257 Ų5735%0.34727%0.269SS..EExtended strand (participates in β ladder)trans-144.5151.7166.762.6173.9-178.3179.84.6109.8T225 V226 E419T225-R237 HydrophobicContact CG2-CB 4.22Å; V226-R237 CarbonylContact O-C 3.51Å; V226-R237 VanDerWaalsContact O-CA 3.31Å; V226-R237 WeakPolarHBondContact O-CA 3.35Å; R237-E419 IonicContact CZ-OE1 3.76Å; R237-E419 IonicContact CZ-OE2 3.39Å; R237-E419 VanDerWaalsContact NH1-CD 3.27Å; R237-E419 IonicContact NH1-OE1 3.59Å; R237-E419 PolarHBondContact NH1-OE1 3.26Å; R237-E419 IonicContact NH1-OE2 3.14Å; R237-E419 PolarHBondContact NH1-OE2 3.44Å; R237-E419 IonicContact NH2-OE1 3.76Å; R237-E419 PolarHBondContact NH2-OE1 3.41Å; R237-E419 IonicContact NH2-OE2 2.8Å; R237-E419 PolarHBondContact NH2-OE2 2.62Å
238I94.2Very high94.8Very high41 Ų4159.3 Ų59.321%0.2128%0.279CS..EExtended strand (participates in β ladder)trans-125.9156.4168.168.1-178.7000108.4T225 V226 W236 W264 R272T225-I238 CarbonylContact C-O 3.39Å; T225-I238 WeakPolarHBondContact CA-O 2.96Å; T225-I238 WeakPolarHBondContact CG2-O 3.25Å; V226-I238 HydrophobicContact CB-CG1 4.25Å; V226-I238 PolarHBondContact N-O 2.94Å; V226-I238 PolarHBondContact O-N 2.72Å; W236-I238 HydrophobicContact CE3-CG2 4.08Å; W236-I238 HydrophobicContact CZ3-CD1 4.38Å; W236-I238 HydrophobicContact CZ3-CG1 4.21Å; W236-I238 HydrophobicContact CZ3-CG2 4.05Å; I238-W264 HydrophobicContact CD1-CH2 4.24Å; I238-W264 HydrophobicContact CD1-CZ2 4.06Å; I238-R272 VanDerWaalsContact CD1-NE 3.29Å
239K91.8Very high94.8Very high100 Ų10059.7 Ų59.744%0.43528%0.283SS..EExtended strand (participates in β ladder)trans-124.5132.1170.4-171179.5179.2-167.70109.4E425K239-E425 IonicContact NZ-OE2 3.91Å; K239-E425 PolarHBondContact NZ-OE2 2.81Å
240S91.1Very high94.7Very high39 Ų3959.8 Ų59.827%0.27328%0.283SS..  trans-119.8159.1178.2-176.90000110.1G224 N242 W264G224-S240 PolarHBondContact O-N 3.02Å; S240-N242 PolarHBondContact O-N 2.61Å; S240-N242 PolarHBondContact OG-N 3.32Å; S240-W264 VanDerWaalsContact CB-CH2 3.48Å
241K90.6Very high94.7Very high201 Ų20160.3 Ų60.387%0.87429%0.286SS*.SBendtrans-71-23.1171.4-64.7-175.2179.2-1770112.7
242N93.8Very high94.6Very high50 Ų5053.9 Ų53.927%0.26726%0.262SS..SBendtrans-94.7151.7-179.9-62.1-52.7000109.8G224 S240 W264 S265 N266G224-N242 WeakPolarHBondContact CA-O 3.35Å; S240-N242 PolarHBondContact O-N 2.61Å; S240-N242 PolarHBondContact OG-N 3.32Å; N242-W264 HydrophobicContact CB-CB 4.47Å; N242-W264 HydrophobicContact CB-CE3 4.08Å; N242-W264 VanDerWaalsContact O-CE3 3.27Å; N242-W264 WeakPolarHBondContact O-CZ3 3.42Å; N242-S265 WeakPolarHBondContact CB-OG 3.31Å; N242-N266 VanDerWaalsContact ND2-CG 3.27Å; N242-N266 PolarHBondContact ND2-ND2 2.73Å
243H93.9Very high94.3Very high93 Ų9351.1 Ų51.143%0.43124%0.244SC..  trans-83.4140.7178.2-54.4-65.5000110.3A222 M245 W264 S265A222-H243 PolarHBondContact O-CE1 2.99Å; A222-H243 PolarHBondContact O-ND1 3.35Å; H243-M245 HydrophobicContact CB-SD 4.35Å; H243-M245 PolarHBondContact O-N 3.18Å; H243-W264 CarbonylContact O-C 3.57Å; H243-W264 WeakPolarHBondContact O-CA 3.46Å; H243-S265 PolarHBondContact N-OG 3.15Å; H243-S265 VanDerWaalsContact N-OG 3.11Å; H243-S265 PolarHBondContact O-N 3.35Å
244A96.1Very high94Very high1 Ų150.4 Ų50.41%0.00824%0.238CC..EExtended strand (participates in β ladder)trans-76.4114.1167.400000108.5A220 V226 I247 T262 W264A220-A244 HydrophobicContact CB-CB 3.85Å; V226-A244 HydrophobicContact CG2-CB 3.57Å; A244-I247 HydrophobicContact CB-CG2 4.49Å; A244-T262 HydrophobicContact CB-CG2 3.8Å; A244-W264 HydrophobicContact CB-CE3 4.5Å; A244-W264 HydrophobicContact CB-CZ3 4.37Å
245M95.9Very high93.6Very high32 Ų3250.4 Ų50.416%0.15824%0.244CC..EExtended strand (participates in β ladder)trans-83.7-36.9-178.1-62.5-54.1-59.200111.5P16 R17 H243 G263 V289P16-M245 HydrophobicContact CB-CE 3.4Å; P16-M245 VanDerWaalsContact CB-CE 3.4Å; P16-M245 HydrophobicContact CG-CE 3.73Å; R17-M245 WeakPolarHBondContact CG-O 3.41Å; R17-M245 PolarHBondContact NE-O 2.81Å; H243-M245 HydrophobicContact CB-SD 4.35Å; H243-M245 PolarHBondContact O-N 3.18Å; M245-G263 PolarHBondContact N-O 2.81Å; M245-V289 WeakPolarHBondContact CB-O 3.39Å; M245-V289 WeakPolarHBondContact CG-O 3.43Å
246S96.1Very high93.3Very high16 Ų1648.7 Ų48.711%0.11226%0.258CS..EExtended strand (participates in β ladder)trans-147.3141.2179.8-170.80000109G263 V292S246-G263 PolarHBondContact N-O 2.81Å; S246-G263 PolarHBondContact O-N 2.92Å; S246-V292 PolarHBondContact OG-N 2.93Å; S246-V292 VanDerWaalsContact OG-N 3.14Å
247I97.8Very high93.1Very high12 Ų1249.5 Ų49.56%0.06227%0.265CS..EExtended strand (participates in β ladder)trans-125.6144.7167.459.4176.1000109C210 A220 V226 A244 L260 I261 T262C210-I247 HydrophobicContact CB-CD1 4.35Å; C210-I247 HydrophobicContact CB-CG1 4.12Å; A220-I247 HydrophobicContact CB-CD1 4.1Å; A220-I247 HydrophobicContact CB-CG2 4.08Å; V226-I247 HydrophobicContact CG1-CG2 4.47Å; A244-I247 HydrophobicContact CB-CG2 4.49Å; I247-L260 HydrophobicContact CB-CD1 4.09Å; I247-I261 CarbonylContact C-O 3.52Å; I247-I261 VanDerWaalsContact CA-O 3.26Å; I247-I261 WeakPolarHBondContact CA-O 3.36Å; I247-T262 HydrophobicContact CG2-CG2 4.06Å
248H97.8Very high93.1Very high47 Ų4746.7 Ų46.722%0.21826%0.258CS..EExtended strand (participates in β ladder)trans-149.9148.3178.3-169.767.8000109.6I261 V292 E294H248-I261 PolarHBondContact N-O 2.79Å; H248-I261 WeakPolarHBondContact O-CA 3.05Å; H248-I261 WeakPolarHBondContact O-CB 3.27Å; H248-I261 PolarHBondContact O-N 2.83Å; H248-V292 HydrophobicContact CB-CB 4.17Å; H248-V292 HydrophobicContact CB-CG1 3.9Å; H248-E294 IonicContact CD2-OE2 2.71Å; H248-E294 IonicContact CE1-OE2 3.72Å; H248-E294 IonicContact NE2-OE2 3.45Å; H248-E294 PolarHBondContact NE2-OE2 3.44Å
249A97.1Very high93.2Very high9 Ų945 Ų457%0.07425%0.249CC..EExtended strand (participates in β ladder)trans-95.7127.2177.400000109.9H211 M212 V258 E259H211-A249 WeakPolarHBondContact O-CB 3.3Å; M212-A249 HydrophobicContact CB-CB 4.2Å; M212-A249 HydrophobicContact CG-CB 3.89Å; A249-V258 HydrophobicContact CB-CB 4.26Å; A249-V258 HydrophobicContact CB-CG2 4.07Å; A249-E259 WeakPolarHBondContact CA-O 3.41Å
250F96.5Very high93.5Very high11 Ų1140.2 Ų40.25%0.04823%0.228CC..EExtended strand (participates in β ladder)trans-153.4135.2179.8-174.3-104.9000110.8L252 E259 I261 E294 I303 L305 P319F250-L252 HydrophobicContact CD1-CB 4.04Å; F250-L252 HydrophobicContact CD1-CD1 4Å; F250-L252 HydrophobicContact CE1-CB 4.46Å; F250-L252 HydrophobicContact CE1-CD1 3.87Å; F250-L252 PolarHBondContact O-N 3.24Å; F250-L252 VanDerWaalsContact O-N 3.15Å; F250-E259 PolarHBondContact N-O 3.15Å; F250-E259 PolarHBondContact O-N 2.82Å; F250-E259 VanDerWaalsContact O-OE2 3.04Å; F250-I261 HydrophobicContact CB-CD1 4.37Å; F250-I261 HydrophobicContact CB-CG1 3.82Å; F250-E294 HydrophobicContact CD2-CB 4.15Å; F250-E294 WeakPolarHBondContact CD2-OE2 3.36Å; F250-E294 HydrophobicContact CE2-CB 4.36Å; F250-I303 HydrophobicContact CE2-CB 4.47Å; F250-I303 HydrophobicContact CE2-CG2 3.87Å; F250-L305 HydrophobicContact CB-CD1 4Å; F250-L305 HydrophobicContact CD1-CB 3.76Å; F250-L305 HydrophobicContact CD1-CD1 4.22Å; F250-L305 HydrophobicContact CD1-CD2 4.31Å; F250-L305 HydrophobicContact CD1-CG 4.32Å; F250-L305 HydrophobicContact CE1-CB 3.7Å; F250-L305 HydrophobicContact CG-CB 4.21Å; F250-L305 HydrophobicContact CG-CD1 4.03Å; F250-L305 HydrophobicContact CZ-CB 4.12Å; F250-P319 HydrophobicContact CE1-CG 3.9Å; F250-P319 HydrophobicContact CZ-CG 3.67Å
251D94.8Very high93.8Very high36 Ų3638.4 Ų38.419%0.19322%0.216CC..  trans-80.390.9173.1178.94.1000109.3N253 A254 D255 G256 V258D251-N253 PolarHBondContact OD1-N 3.05Å; D251-N253 PolarHBondContact OD1-OD1 3.41Å; D251-A254 WeakPolarHBondContact OD1-CA 3.49Å; D251-A254 PolarHBondContact OD1-N 2.94Å; D251-A254 WeakPolarHBondContact OD2-CA 3.2Å; D251-D255 PolarHBondContact OD1-N 3.23Å; D251-D255 PolarHBondContact OD2-N 2.99Å; D251-G256 VanDerWaalsContact OD2-CA 3.29Å; D251-G256 WeakPolarHBondContact OD2-CA 3.35Å; D251-G256 PolarHBondContact OD2-N 3.49Å; D251-V258 HydrophobicContact CB-CG1 4.19Å
252L91.1Very high94.1Very high2 Ų228.8 Ų28.81%0.0117%0.174CC..SBendtrans-83.4-24.5-177.6-168.963.6000112L2 F250 E259 I261 A271 F281 L305 P319 A320L2-L252 HydrophobicContact CD1-CD1 3.77Å; L2-L252 HydrophobicContact CD1-CD2 3.85Å; L2-L252 HydrophobicContact CD1-CG 3.55Å; F250-L252 HydrophobicContact CD1-CB 4.04Å; F250-L252 HydrophobicContact CD1-CD1 4Å; F250-L252 HydrophobicContact CE1-CB 4.46Å; F250-L252 HydrophobicContact CE1-CD1 3.87Å; F250-L252 PolarHBondContact O-N 3.24Å; F250-L252 VanDerWaalsContact O-N 3.15Å; L252-E259 PolarHBondContact N-OE2 3.47Å; L252-I261 HydrophobicContact CB-CD1 4.49Å; L252-I261 HydrophobicContact CD2-CD1 4.41Å; L252-A271 HydrophobicContact CD2-CB 3.74Å; L252-F281 HydrophobicContact CD2-CB 3.51Å; L252-F281 HydrophobicContact CD2-CD1 3.55Å; L252-F281 HydrophobicContact CD2-CD2 4.46Å; L252-F281 HydrophobicContact CD2-CE1 4.36Å; L252-F281 HydrophobicContact CD2-CG 3.59Å; L252-L305 HydrophobicContact CD1-CD2 4.15Å; L252-P319 CarbonylContact O-C 3.54Å; L252-P319 VanDerWaalsContact O-CA 3.31Å; L252-P319 WeakPolarHBondContact O-CA 3.19Å; L252-A320 PolarHBondContact O-N 3.27Å
253N88Confident94.3Very high29 Ų2926.4 Ų26.416%0.15516%0.161CC..SBendtrans-98.6-3.9-176.381.322.5000113.5D251 D255 E259 I280 K325D251-N253 PolarHBondContact OD1-N 3.05Å; D251-N253 PolarHBondContact OD1-OD1 3.41Å; N253-D255 PolarHBondContact ND2-OD2 3.21Å; N253-D255 WeakPolarHBondContact OD1-CA 3.21Å; N253-D255 WeakPolarHBondContact OD1-CB 3.24Å; N253-D255 PolarHBondContact OD1-N 2.98Å; N253-D255 PolarHBondContact OD1-OD1 3.25Å; N253-D255 PolarHBondContact OD1-OD2 3.08Å; N253-D255 VanDerWaalsContact OD1-OD2 3.13Å; N253-E259 PolarHBondContact ND2-OE1 3.48Å; N253-I280 HydrophobicContact CB-CG2 4.47Å; N253-K325 WeakPolarHBondContact O-CE 3.4Å
254A87.7Confident94.5Very high38 Ų3822.1 Ų22.131%0.31414%0.141SC..SBendtrans55.444.6-176.100000113.2D251 P319 A320 K325D251-A254 WeakPolarHBondContact OD1-CA 3.49Å; D251-A254 PolarHBondContact OD1-N 2.94Å; D251-A254 WeakPolarHBondContact OD2-CA 3.2Å; A254-P319 HydrophobicContact CB-CB 4.16Å; A254-A320 WeakPolarHBondContact CB-O 3.29Å; A254-K325 PolarHBondContact O-NZ 2.88Å
255D86.4Confident94.5Very high85 Ų8523.7 Ų23.746%0.45515%0.152SC..SBendtrans-98.1-4.9172.973.714.9000113.6D251 N253 V257D251-D255 PolarHBondContact OD1-N 3.23Å; D251-D255 PolarHBondContact OD2-N 2.99Å; N253-D255 PolarHBondContact ND2-OD2 3.21Å; N253-D255 WeakPolarHBondContact OD1-CA 3.21Å; N253-D255 WeakPolarHBondContact OD1-CB 3.24Å; N253-D255 PolarHBondContact OD1-N 2.98Å; N253-D255 PolarHBondContact OD1-OD1 3.25Å; N253-D255 PolarHBondContact OD1-OD2 3.08Å; N253-D255 VanDerWaalsContact OD1-OD2 3.13Å; D255-V257 WeakPolarHBondContact OD1-CA 3.38Å; D255-V257 WeakPolarHBondContact OD1-CB 3.49Å; D255-V257 PolarHBondContact OD1-N 3.39Å
256G88Confident94.5Very high67 Ų6725.5 Ų25.569%0.69116%0.162SC*.SBendtrans89-0.2-178.800000114D251D251-G256 VanDerWaalsContact OD2-CA 3.29Å; D251-G256 WeakPolarHBondContact OD2-CA 3.35Å; D251-G256 PolarHBondContact OD2-N 3.49Å
257V91.9Very high94.5Very high39 Ų3924.7 Ų24.724%0.23616%0.157CC..SBendtrans-115.1127.4173.7-175.60000108.6D255D255-V257 WeakPolarHBondContact OD1-CA 3.38Å; D255-V257 WeakPolarHBondContact OD1-CB 3.49Å; D255-V257 PolarHBondContact OD1-N 3.39Å
258V94.8Very high94.4Very high33 Ų3327.1 Ų27.120%0.217%0.167CC..  trans-71.9138.9179.5-64.20000111.8M212 A249 D251M212-V258 HydrophobicContact CB-CG2 3.8Å; M212-V258 HydrophobicContact CE-CG2 4.18Å; M212-V258 WeakPolarHBondContact CE-O 3.4Å; M212-V258 WeakPolarHBondContact O-CG2 3.43Å; A249-V258 HydrophobicContact CB-CB 4.26Å; A249-V258 HydrophobicContact CB-CG2 4.07Å; D251-V258 HydrophobicContact CB-CG1 4.19Å
259E95.6Very high94.3Very high4 Ų424.9 Ų24.92%0.01916%0.157CC..EExtended strand (participates in β ladder)trans-87.6158.4167.2-70.889.2-175.900112.2A249 F250 L252 N253 I261 A271 R272 I280A249-E259 WeakPolarHBondContact CA-O 3.41Å; F250-E259 PolarHBondContact N-O 3.15Å; F250-E259 PolarHBondContact O-N 2.82Å; F250-E259 VanDerWaalsContact O-OE2 3.04Å; L252-E259 PolarHBondContact N-OE2 3.47Å; N253-E259 PolarHBondContact ND2-OE1 3.48Å; E259-I261 HydrophobicContact CB-CD1 4.21Å; E259-I261 PolarHBondContact O-N 2.89Å; E259-A271 HydrophobicContact CB-CB 4.27Å; E259-R272 WeakPolarHBondContact CA-O 3.44Å; E259-R272 VanDerWaalsContact CB-O 3.3Å; E259-R272 WeakPolarHBondContact CB-O 3.32Å; E259-I280 HydrophobicContact CG-CD1 3.53Å
260L97.8Very high94.2Very high0 Ų024.5 Ų24.50%015%0.153CC..EExtended strand (participates in β ladder)trans-85106.4167.5-174.662.2000109.7C210 M212 V226 V228 W236 I247 R272C210-L260 WeakPolarHBondContact SG-CD1 3.44Å; M212-L260 HydrophobicContact CE-CB 4Å; M212-L260 HydrophobicContact SD-CB 4.44Å; V226-L260 HydrophobicContact CG1-CD2 3.55Å; V228-L260 HydrophobicContact CG2-CB 4.48Å; V228-L260 HydrophobicContact CG2-CD2 3.87Å; W236-L260 HydrophobicContact CH2-CD2 3.87Å; W236-L260 HydrophobicContact CZ2-CB 4.46Å; W236-L260 HydrophobicContact CZ2-CD2 4.05Å; I247-L260 HydrophobicContact CB-CD1 4.09Å; L260-R272 PolarHBondContact N-O 3.17Å; L260-R272 PolarHBondContact O-N 2.7Å
261I97.9Very high94.2Very high1 Ų124 Ų241%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-85.2125.9173.5-45.4-55.6000108.9I247 H248 F250 L252 E259 I269 D270 A271 V292 L305I247-I261 CarbonylContact C-O 3.52Å; I247-I261 VanDerWaalsContact CA-O 3.26Å; I247-I261 WeakPolarHBondContact CA-O 3.36Å; H248-I261 PolarHBondContact N-O 2.79Å; H248-I261 WeakPolarHBondContact O-CA 3.05Å; H248-I261 WeakPolarHBondContact O-CB 3.27Å; H248-I261 PolarHBondContact O-N 2.83Å; F250-I261 HydrophobicContact CB-CD1 4.37Å; F250-I261 HydrophobicContact CB-CG1 3.82Å; L252-I261 HydrophobicContact CB-CD1 4.49Å; L252-I261 HydrophobicContact CD2-CD1 4.41Å; E259-I261 HydrophobicContact CB-CD1 4.21Å; E259-I261 PolarHBondContact O-N 2.89Å; I261-I269 HydrophobicContact CG2-CG2 4Å; I261-D270 WeakPolarHBondContact CA-O 3.24Å; I261-A271 HydrophobicContact CD1-CB 3.33Å; I261-V292 HydrophobicContact CB-CG1 4.31Å; I261-V292 HydrophobicContact CG2-CG1 3.86Å; I261-L305 HydrophobicContact CD1-CD2 4.25Å; I261-L305 HydrophobicContact CG1-CD1 4.08Å; I261-L305 HydrophobicContact CG1-CD2 4.13Å; I261-L305 HydrophobicContact CG2-CD1 4.36Å; I261-L305 HydrophobicContact CG2-CD2 4Å
262T98.1Very high94.2Very high0 Ų023.7 Ų23.70%015%0.147CC..EExtended strand (participates in β ladder)trans-121.3125.4179-55.80000111V226 A244 I247 W264 I269 D270V226-T262 HydrophobicContact CG2-CG2 4.12Å; A244-T262 HydrophobicContact CB-CG2 3.8Å; I247-T262 HydrophobicContact CG2-CG2 4.06Å; T262-W264 HydrophobicContact CG2-CD2 4.02Å; T262-W264 HydrophobicContact CG2-CG 4.37Å; T262-W264 HydrophobicContact CG2-CH2 4.39Å; T262-W264 HydrophobicContact CG2-CZ2 3.77Å; T262-I269 VanDerWaalsContact O-CA 3.32Å; T262-I269 WeakPolarHBondContact O-CA 3.38Å; T262-D270 WeakPolarHBondContact CB-OD1 3.4Å; T262-D270 PolarHBondContact N-O 2.97Å; T262-D270 PolarHBondContact O-N 3.22Å; T262-D270 VanDerWaalsContact O-N 3.11Å
263G97.6Very high94.3Very high0 Ų024.7 Ų24.70%015%0.154CC..EExtended strand (participates in β ladder)trans-97.4119.6169.500000111.4M245 S246M245-G263 PolarHBondContact N-O 2.81Å; S246-G263 PolarHBondContact N-O 2.81Å; S246-G263 PolarHBondContact O-N 2.92Å
264W97.6Very high94.5Very high3 Ų323.6 Ų23.61%0.01115%0.148CC..EExtended strand (participates in β ladder)trans-98.2157.8-174.4-60.986.3000113V226 I238 S240 N242 H243 A244 T262 N266 G267 K268 D270 V289V226-W264 HydrophobicContact CG2-CH2 3.8Å; V226-W264 HydrophobicContact CG2-CZ2 4.33Å; V226-W264 HydrophobicContact CG2-CZ3 4.34Å; I238-W264 HydrophobicContact CD1-CH2 4.24Å; I238-W264 HydrophobicContact CD1-CZ2 4.06Å; S240-W264 VanDerWaalsContact CB-CH2 3.48Å; N242-W264 HydrophobicContact CB-CB 4.47Å; N242-W264 HydrophobicContact CB-CE3 4.08Å; N242-W264 VanDerWaalsContact O-CE3 3.27Å; N242-W264 WeakPolarHBondContact O-CZ3 3.42Å; H243-W264 CarbonylContact O-C 3.57Å; H243-W264 WeakPolarHBondContact O-CA 3.46Å; A244-W264 HydrophobicContact CB-CE3 4.5Å; A244-W264 HydrophobicContact CB-CZ3 4.37Å; T262-W264 HydrophobicContact CG2-CD2 4.02Å; T262-W264 HydrophobicContact CG2-CG 4.37Å; T262-W264 HydrophobicContact CG2-CH2 4.39Å; T262-W264 HydrophobicContact CG2-CZ2 3.77Å; W264-N266 VanDerWaalsContact CB-OD1 3.24Å; W264-N266 WeakPolarHBondContact CB-OD1 3.42Å; W264-N266 PolarHBondContact O-N 2.81Å; W264-G267 PolarHBondContact O-N 2.98Å; W264-K268 HydrophobicContact CB-CB 4.1Å; W264-K268 WeakPolarHBondContact CB-O 3.43Å; W264-K268 VanDerWaalsContact CD1-O 3.25Å; W264-K268 HydrophobicContact CG-CB 4.21Å; W264-K268 PolarHBondContact N-O 2.79Å; W264-D270 PolarHBondContact NE1-OD1 3.16Å; W264-D270 PolarHBondContact NE1-OD2 3.23Å; W264-V289 PolarHBondContact O-N 2.74Å
265S96.9Very high94.6Very high34 Ų3429.5 Ų29.524%0.23816%0.163CC..THydrogen-bonded Turntrans-64.1-19.6-179.964.50000114.5N242 H243 G267 S288N242-S265 WeakPolarHBondContact CB-OG 3.31Å; H243-S265 PolarHBondContact N-OG 3.15Å; H243-S265 VanDerWaalsContact N-OG 3.11Å; H243-S265 PolarHBondContact O-N 3.35Å; S265-G267 VanDerWaalsContact C-N 3.35Å; S265-S288 WeakPolarHBondContact CA-OG 3.45Å; S265-S288 VanDerWaalsContact O-CA 3.3Å; S265-S288 WeakPolarHBondContact O-CA 3.35Å; S265-S288 WeakPolarHBondContact O-CB 3.39Å; S265-S288 PolarHBondContact O-OG 2.93Å
266N95.8Very high94.8Very high69 Ų6929.1 Ų29.137%0.36916%0.164SC..THydrogen-bonded Turntrans-914175.771.4-24.6000113.5N242 W264 K268N242-N266 VanDerWaalsContact ND2-CG 3.27Å; N242-N266 PolarHBondContact ND2-ND2 2.73Å; W264-N266 VanDerWaalsContact CB-OD1 3.24Å; W264-N266 WeakPolarHBondContact CB-OD1 3.42Å; W264-N266 PolarHBondContact O-N 2.81Å; N266-K268 VanDerWaalsContact OD1-CB 3.26Å; N266-K268 WeakPolarHBondContact OD1-CB 3.37Å; N266-K268 PolarHBondContact OD1-N 2.91Å; N266-K268 VanDerWaalsContact OD1-N 3.12Å
267G95.6Very high95Very high0 Ų026.2 Ų26.20%013%0.133CC..SBendtrans90-5.5-177.400000114.8W264 S265 F285 S287W264-G267 PolarHBondContact O-N 2.98Å; S265-G267 VanDerWaalsContact C-N 3.35Å; G267-F285 PolarHBondContact O-N 3.41Å; G267-S287 WeakPolarHBondContact CA-O 3.42Å
268K96Very high94.9Very high63 Ų6330.9 Ų30.927%0.27415%0.152SC..EExtended strand (participates in β ladder)trans-64.4141.6174.6-171.8-167.1179.8-154.80109.6W264 N266 D270 N284W264-K268 HydrophobicContact CB-CB 4.1Å; W264-K268 WeakPolarHBondContact CB-O 3.43Å; W264-K268 VanDerWaalsContact CD1-O 3.25Å; W264-K268 HydrophobicContact CG-CB 4.21Å; W264-K268 PolarHBondContact N-O 2.79Å; N266-K268 VanDerWaalsContact OD1-CB 3.26Å; N266-K268 WeakPolarHBondContact OD1-CB 3.37Å; N266-K268 PolarHBondContact OD1-N 2.91Å; N266-K268 VanDerWaalsContact OD1-N 3.12Å; K268-D270 IonicContact NZ-OD2 3Å; K268-D270 PolarHBondContact NZ-OD2 2.86Å; K268-N284 WeakPolarHBondContact CA-OD1 3.48Å; K268-N284 PolarHBondContact N-OD1 2.85Å
269I96.1Very high94.7Very high0 Ų032.3 Ų32.30%016%0.161CC..EExtended strand (participates in β ladder)trans-121.3131.5164.3-63.5167000107.3I261 T262 K282 D283 F285 V289 C307I261-I269 HydrophobicContact CG2-CG2 4Å; T262-I269 VanDerWaalsContact O-CA 3.32Å; T262-I269 WeakPolarHBondContact O-CA 3.38Å; I269-K282 CarbonylContact O-C 3.5Å; I269-K282 VanDerWaalsContact O-CA 3.24Å; I269-K282 WeakPolarHBondContact O-CA 3.48Å; I269-D283 PolarHBondContact N-O 2.86Å; I269-D283 PolarHBondContact O-N 3.1Å; I269-F285 HydrophobicContact CD1-CD2 3.42Å; I269-F285 VanDerWaalsContact CD1-CD2 3.42Å; I269-F285 HydrophobicContact CD1-CE2 3.17Å; I269-F285 HydrophobicContact CD1-CZ 4.31Å; I269-F285 HydrophobicContact CG1-CD2 4.26Å; I269-F285 HydrophobicContact CG1-CE2 4.42Å; I269-V289 HydrophobicContact CD1-CG2 4.27Å; I269-V289 HydrophobicContact CG1-CG2 3.78Å; I269-C307 HydrophobicContact CD1-CB 3.51Å
270D95Very high94.3Very high0 Ų036 Ų360%018%0.18CC..EExtended strand (participates in β ladder)trans-132.2143.7168.3547.5000112I261 T262 W264 K268 R272 V279 F281I261-D270 WeakPolarHBondContact CA-O 3.24Å; T262-D270 WeakPolarHBondContact CB-OD1 3.4Å; T262-D270 PolarHBondContact N-O 2.97Å; T262-D270 PolarHBondContact O-N 3.22Å; T262-D270 VanDerWaalsContact O-N 3.11Å; W264-D270 PolarHBondContact NE1-OD1 3.16Å; W264-D270 PolarHBondContact NE1-OD2 3.23Å; K268-D270 IonicContact NZ-OD2 3Å; K268-D270 PolarHBondContact NZ-OD2 2.86Å; D270-R272 IonicContact OD1-NE 3.6Å; D270-R272 IonicContact OD2-CZ 3.75Å; D270-R272 IonicContact OD2-NE 3.85Å; D270-R272 PolarHBondContact OD2-NE 3.44Å; D270-R272 VanDerWaalsContact OD2-NE 3.14Å; D270-R272 IonicContact OD2-NH2 2.66Å; D270-R272 PolarHBondContact OD2-NH2 3.01Å; D270-V279 HydrophobicContact CB-CG1 4.12Å; D270-F281 CarbonylContact C-O 3.55Å; D270-F281 WeakPolarHBondContact CA-O 3.33Å; D270-F281 WeakPolarHBondContact CB-O 3.43Å
271A95.1Very high93.9Very high0 Ų036.7 Ų36.70%018%0.183CC..EExtended strand (participates in β ladder)trans-103.5129169.700000108.2L252 E259 I261 I280 F281L252-A271 HydrophobicContact CD2-CB 3.74Å; E259-A271 HydrophobicContact CB-CB 4.27Å; I261-A271 HydrophobicContact CD1-CB 3.33Å; A271-I280 PolarHBondContact O-N 3.45Å; A271-F281 HydrophobicContact CB-CB 3.82Å; A271-F281 HydrophobicContact CB-CD1 4.46Å; A271-F281 PolarHBondContact N-O 3.08Å; A271-F281 PolarHBondContact O-N 2.95Å
272R95.1Very high93.7Very high30 Ų3042 Ų4211%0.11321%0.206CC..EExtended strand (participates in β ladder)trans-124142.6-176.5-67.8174.2179.8-95.70.3111.8W236 I238 E259 L260 D270 D274 G277 E278 V279W236-R272 HydrophobicContact CH2-CB 4.02Å; W236-R272 HydrophobicContact CZ2-CB 4.11Å; I238-R272 VanDerWaalsContact CD1-NE 3.29Å; E259-R272 WeakPolarHBondContact CA-O 3.44Å; E259-R272 VanDerWaalsContact CB-O 3.3Å; E259-R272 WeakPolarHBondContact CB-O 3.32Å; L260-R272 PolarHBondContact N-O 3.17Å; L260-R272 PolarHBondContact O-N 2.7Å; D270-R272 IonicContact OD1-NE 3.6Å; D270-R272 IonicContact OD2-CZ 3.75Å; D270-R272 IonicContact OD2-NE 3.85Å; D270-R272 PolarHBondContact OD2-NE 3.44Å; D270-R272 VanDerWaalsContact OD2-NE 3.14Å; D270-R272 IonicContact OD2-NH2 2.66Å; D270-R272 PolarHBondContact OD2-NH2 3.01Å; R272-D274 PolarHBondContact O-N 3.33Å; R272-G277 PolarHBondContact NH1-O 2.98Å; R272-E278 VanDerWaalsContact CA-O 3.22Å; R272-E278 WeakPolarHBondContact CA-O 3.37Å; R272-V279 HydrophobicContact CG-CG2 4.19Å
273S94Very high93.4Very high23 Ų2343.8 Ų43.816%0.16122%0.216CC..  trans-59.4135.6173.2177.10000110.4W236 R275 G277 E278W236-S273 PolarHBondContact NE1-O 3.24Å; W236-S273 VanDerWaalsContact NE1-O 3.12Å; S273-R275 PolarHBondContact O-N 2.95Å; S273-R275 PolarHBondContact OG-N 3.45Å; S273-G277 WeakPolarHBondContact O-CA 3.45Å; S273-G277 PolarHBondContact O-N 2.97Å; S273-E278 PolarHBondContact N-O 3.32Å
274D90.9Very high93.3Very high6 Ų647.9 Ų47.93%0.03224%0.238CC..THydrogen-bonded Turntrans-61.5-29.2173.772.6-44.7000112.7M212 H213 R216 W236 R272M212-D274 HydrophobicContact CE-CB 3.56Å; M212-D274 HydrophobicContact SD-CB 4.34Å; H213-D274 IonicContact CE1-OD2 2.74Å; H213-D274 PolarHBondContact CE1-OD2 2.93Å; H213-D274 IonicContact NE2-OD2 2.77Å; R216-D274 IonicContact CZ-OD2 2.73Å; R216-D274 IonicContact NH1-OD2 3.92Å; R216-D274 PolarHBondContact NH1-OD2 3.47Å; W236-D274 VanDerWaalsContact CD1-O 3.28Å; W236-D274 PolarHBondContact NE1-O 3.47Å; R272-D274 PolarHBondContact O-N 3.33Å
275R90.4Very high93.1Very high163 Ų16347.9 Ų47.962%0.61524%0.238SC*.THydrogen-bonded Turntrans-83.5-47.6-176.3-67.8176-171.6-167.81.6113.8S273S273-R275 PolarHBondContact O-N 2.95Å; S273-R275 PolarHBondContact OG-N 3.45Å
276T90.9Very high93Very high77 Ų7750.9 Ų50.947%0.47226%0.259SS..THydrogen-bonded Turntrans-113.5-18.4-169.260.80000113.7E278T276-E278 PolarHBondContact O-N 2.94Å; T276-E278 WeakPolarHBondContact OG1-CB 3.44Å; T276-E278 WeakPolarHBondContact OG1-CG 3.3Å; T276-E278 PolarHBondContact OG1-N 3.25Å
277G91.6Very high93Very high5 Ų548.7 Ų48.75%0.05225%0.249CC..  trans747.3-172.300000114.6R272 S273R272-G277 PolarHBondContact NH1-O 2.98Å; S273-G277 WeakPolarHBondContact O-CA 3.45Å; S273-G277 PolarHBondContact O-N 2.97Å
278E89.6Confident93.1Very high137 Ų13750 Ų5064%0.6426%0.258SS*.  trans-65143.1174.8-72.5177.5174.900111.1R272 S273 T276 I280R272-E278 VanDerWaalsContact CA-O 3.22Å; R272-E278 WeakPolarHBondContact CA-O 3.37Å; S273-E278 PolarHBondContact N-O 3.32Å; T276-E278 PolarHBondContact O-N 2.94Å; T276-E278 WeakPolarHBondContact OG1-CB 3.44Å; T276-E278 WeakPolarHBondContact OG1-CG 3.3Å; T276-E278 PolarHBondContact OG1-N 3.25Å; E278-I280 PolarHBondContact O-N 2.97Å
279V90.2Very high93.2Very high64 Ų6447 Ų4739%0.38825%0.245SC..EExtended strand (participates in β ladder)trans-81.2117.9-177.4179.30000109.7D270 R272 F281 K282D270-V279 HydrophobicContact CB-CG1 4.12Å; R272-V279 HydrophobicContact CG-CG2 4.19Å; V279-F281 WeakPolarHBondContact CG1-O 3.41Å; V279-K282 HydrophobicContact CG1-CB 4.42Å
280I89.3Confident93.2Very high81 Ų8147 Ų4742%0.41525%0.245SC..EExtended strand (participates in β ladder)trans-93.2-39.7178-65.7164.7000110.5N253 E259 A271 E278N253-I280 HydrophobicContact CB-CG2 4.47Å; E259-I280 HydrophobicContact CG-CD1 3.53Å; A271-I280 PolarHBondContact O-N 3.45Å; E278-I280 PolarHBondContact O-N 2.97Å
281F89.2Confident93.3Very high14 Ų1447.1 Ų47.16%0.06125%0.246CC..EExtended strand (participates in β ladder)trans-136.2149.3179.9170.8-104.5000110.9L2 L252 D270 A271 V279 D283 Y317L2-F281 HydrophobicContact CB-CD2 4.01Å; L2-F281 HydrophobicContact CB-CE2 3.66Å; L2-F281 HydrophobicContact CB-CZ 4.42Å; L2-F281 HydrophobicContact CD1-CD2 4.12Å; L2-F281 HydrophobicContact CD1-CE2 4.47Å; L2-F281 HydrophobicContact CG-CD2 4.47Å; L252-F281 HydrophobicContact CD2-CB 3.51Å; L252-F281 HydrophobicContact CD2-CD1 3.55Å; L252-F281 HydrophobicContact CD2-CD2 4.46Å; L252-F281 HydrophobicContact CD2-CE1 4.36Å; L252-F281 HydrophobicContact CD2-CG 3.59Å; D270-F281 CarbonylContact C-O 3.55Å; D270-F281 WeakPolarHBondContact CA-O 3.33Å; D270-F281 WeakPolarHBondContact CB-O 3.43Å; A271-F281 HydrophobicContact CB-CB 3.82Å; A271-F281 HydrophobicContact CB-CD1 4.46Å; A271-F281 PolarHBondContact N-O 3.08Å; A271-F281 PolarHBondContact O-N 2.95Å; V279-F281 WeakPolarHBondContact CG1-O 3.41Å; F281-D283 HydrophobicContact CE1-CB 3.97Å; F281-D283 HydrophobicContact CZ-CB 3.67Å; F281-Y317 HydrophobicContact CE1-CE1 4.48Å; F281-Y317 HydrophobicContact CZ-CD1 4.03Å; F281-Y317 AromaticContact CZ-CE1 3.84Å; F281-Y317 HydrophobicContact CZ-CE1 3.84Å
282K92.1Very high93.4Very high113 Ų11347.3 Ų47.349%0.49125%0.247SC..EExtended strand (participates in β ladder)trans-143.5140.1172.167.7-172.1-179.5-169.90110.7I269 V279I269-K282 CarbonylContact O-C 3.5Å; I269-K282 VanDerWaalsContact O-CA 3.24Å; I269-K282 WeakPolarHBondContact O-CA 3.48Å; V279-K282 HydrophobicContact CG1-CB 4.42Å
283D93.5Very high93.4Very high38 Ų3846.6 Ų46.620%0.20325%0.246CC..EExtended strand (participates in β ladder)trans-142.3170.7166.7-167.313.4000109.6I269 F281 R315 Y317I269-D283 PolarHBondContact N-O 2.86Å; I269-D283 PolarHBondContact O-N 3.1Å; F281-D283 HydrophobicContact CE1-CB 3.97Å; F281-D283 HydrophobicContact CZ-CB 3.67Å; D283-R315 IonicContact OD1-NH1 3.97Å; D283-R315 PolarHBondContact OD1-NH1 3.29Å; D283-R315 IonicContact OD2-NH1 3.23Å; D283-R315 PolarHBondContact OD2-NH1 2.89Å; D283-Y317 PolarHBondContact OD2-OH 2.85Å
284N94.3Very high93.5Very high86 Ų8649.7 Ų49.746%0.4626%0.258SS..EExtended strand (participates in β ladder)trans-140129.3179.4-160.968.8000112.1K268 R315K268-N284 WeakPolarHBondContact CA-OD1 3.48Å; K268-N284 PolarHBondContact N-OD1 2.85Å; N284-R315 PolarHBondContact O-NH1 2.8Å; N284-R315 PolarHBondContact O-NH2 3.07Å
285F94.6Very high93.6Very high3 Ų350 Ų501%0.01326%0.262CS..  trans-87.1163.9168.9-83.3-103.8000111.3G267 I269 S287 C307 E313 R315G267-F285 PolarHBondContact O-N 3.41Å; I269-F285 HydrophobicContact CD1-CD2 3.42Å; I269-F285 VanDerWaalsContact CD1-CD2 3.42Å; I269-F285 HydrophobicContact CD1-CE2 3.17Å; I269-F285 HydrophobicContact CD1-CZ 4.31Å; I269-F285 HydrophobicContact CG1-CD2 4.26Å; I269-F285 HydrophobicContact CG1-CE2 4.42Å; F285-S287 VanDerWaalsContact C-N 3.3Å; F285-S287 WeakPolarHBondContact CB-O 3.26Å; F285-C307 HydrophobicContact CE2-CB 3.89Å; F285-C307 HydrophobicContact CZ-CB 3.91Å; F285-C307 WeakPolarHBondContact CZ-O 3.19Å; F285-E313 HydrophobicContact CD1-CB 4.07Å; F285-E313 HydrophobicContact CD1-CG 4.04Å; F285-E313 HydrophobicContact CE1-CB 4.01Å; F285-E313 HydrophobicContact CE1-CG 3.84Å; F285-R315 HydrophobicContact CE1-CG 3.88Å; F285-R315 HydrophobicContact CE2-CB 4.41Å; F285-R315 HydrophobicContact CE2-CG 4.27Å; F285-R315 HydrophobicContact CZ-CB 3.73Å; F285-R315 VanDerWaalsContact CZ-CD 3.5Å; F285-R315 HydrophobicContact CZ-CG 3.51Å
286S93.9Very high93.8Very high97 Ų9743.1 Ų43.168%0.67824%0.238SC*.SBendtrans-73-22.9174.756.30000113.5E313S286-E313 PolarHBondContact OG-OE2 2.95Å; S286-E313 VanDerWaalsContact OG-OE2 3.04Å
287S96Very high93.9Very high22 Ų2240 Ų4015%0.15422%0.217CC..SBendtrans-137.3170.5-17868.20000110.8G267 F285 S309G267-S287 WeakPolarHBondContact CA-O 3.42Å; F285-S287 VanDerWaalsContact C-N 3.3Å; F285-S287 WeakPolarHBondContact CB-O 3.26Å; S287-S309 VanDerWaalsContact OG-CB 3.3Å; S287-S309 WeakPolarHBondContact OG-CB 3.49Å; S287-S309 PolarHBondContact OG-OG 2.84Å; S287-S309 VanDerWaalsContact OG-OG 3.12Å
288S97Very high93.9Very high28 Ų2844.1 Ų44.120%0.19623%0.232CC..  trans-45.5139.8172.5-174.40000112.8S265 S309 V310S265-S288 WeakPolarHBondContact CA-OG 3.45Å; S265-S288 VanDerWaalsContact O-CA 3.3Å; S265-S288 WeakPolarHBondContact O-CA 3.35Å; S265-S288 WeakPolarHBondContact O-CB 3.39Å; S265-S288 PolarHBondContact O-OG 2.93Å; S288-S309 WeakPolarHBondContact O-CA 3.37Å; S288-V310 PolarHBondContact O-N 2.73Å
289V97.6Very high93.9Very high0 Ų041.3 Ų41.30%022%0.219CC..EExtended strand (participates in β ladder)trans-72.9131.7172.1-175.90000108.8M245 W264 I269 V292 T308M245-V289 WeakPolarHBondContact CB-O 3.39Å; M245-V289 WeakPolarHBondContact CG-O 3.43Å; W264-V289 PolarHBondContact O-N 2.74Å; I269-V289 HydrophobicContact CD1-CG2 4.27Å; I269-V289 HydrophobicContact CG1-CG2 3.78Å; V289-V292 HydrophobicContact CG1-CG2 4.04Å; V289-T308 WeakPolarHBondContact CG1-O 3.14Å
290A96.6Very high93.9Very high0 Ų041.4 Ų41.40%022%0.218CC..EExtended strand (participates in β ladder)trans-92.5-41.6177.400000112.1I14 P16 R17 V19 T308 V310I14-A290 HydrophobicContact CB-CB 3.9Å; I14-A290 HydrophobicContact CG2-CB 3.62Å; P16-A290 WeakPolarHBondContact CA-O 3.49Å; R17-A290 PolarHBondContact N-O 3.25Å; V19-A290 HydrophobicContact CG2-CB 4.43Å; A290-T308 PolarHBondContact N-O 2.75Å; A290-V310 HydrophobicContact CB-CG2 3.95Å
291G96.4Very high93.9Very high2 Ų240.7 Ų40.72%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-164.8149-178.300000112.5T308G291-T308 PolarHBondContact N-O 2.66Å; G291-T308 PolarHBondContact N-OG1 3.03Å; G291-T308 PolarHBondContact O-N 3.18Å; G291-T308 PolarHBondContact O-OG1 3.14Å
292V97.3Very high93.9Very high5 Ų545 Ų453%0.0325%0.25CS..EExtended strand (participates in β ladder)trans-121.6123.8173.5-178.70000107S246 H248 I261 V289 L305 I306S246-V292 PolarHBondContact OG-N 2.93Å; S246-V292 VanDerWaalsContact OG-N 3.14Å; H248-V292 HydrophobicContact CB-CB 4.17Å; H248-V292 HydrophobicContact CB-CG1 3.9Å; I261-V292 HydrophobicContact CB-CG1 4.31Å; I261-V292 HydrophobicContact CG2-CG1 3.86Å; V289-V292 HydrophobicContact CG1-CG2 4.04Å; V292-L305 HydrophobicContact CG1-CD1 3.47Å; V292-L305 VanDerWaalsContact CG1-CD1 3.47Å; V292-L305 HydrophobicContact CG1-CG 4.31Å; V292-I306 WeakPolarHBondContact CA-O 3.33Å
293V96.8Very high94Very high15 Ų1543.6 Ų43.69%0.09125%0.247CC..EExtended strand (participates in β ladder)trans-138.2166.8-177.4-61.60000109.8V19 M21 L31 I306V19-V293 HydrophobicContact CB-CG1 4.48Å; V19-V293 HydrophobicContact CG1-CG1 4.08Å; M21-V293 HydrophobicContact CG-CG2 3.88Å; M21-V293 HydrophobicContact SD-CG2 3.96Å; L31-V293 HydrophobicContact CD1-CG2 4.19Å; V293-I306 HydrophobicContact CG2-CB 4Å; V293-I306 HydrophobicContact CG2-CG2 4.24Å; V293-I306 PolarHBondContact N-O 2.91Å; V293-I306 PolarHBondContact O-N 3.34Å
294E95.3Very high94Very high88 Ų8841.8 Ų41.841%0.41124%0.238SC..EExtended strand (participates in β ladder)trans-122.9150.9176.369.9-178.3-147.900112.2H248 F250 I303 Q304H248-E294 IonicContact CD2-OE2 2.71Å; H248-E294 IonicContact CE1-OE2 3.72Å; H248-E294 IonicContact NE2-OE2 3.45Å; H248-E294 PolarHBondContact NE2-OE2 3.44Å; F250-E294 HydrophobicContact CD2-CB 4.15Å; F250-E294 WeakPolarHBondContact CD2-OE2 3.36Å; F250-E294 HydrophobicContact CE2-CB 4.36Å; E294-I303 HydrophobicContact CB-CG2 3.9Å; E294-I303 HydrophobicContact CG-CG2 4.29Å; E294-Q304 VanDerWaalsContact CA-O 3.3Å; E294-Q304 WeakPolarHBondContact CA-O 3.25Å
295G93.9Very high94.1Very high11 Ų1137.7 Ų37.711%0.11322%0.216CC..EExtended strand (participates in β ladder)trans168.2163171.300000113.3Y297 Q304G295-Y297 PolarHBondContact O-N 3.32Å; G295-Q304 PolarHBondContact N-O 3.26Å; G295-Q304 WeakPolarHBondContact O-CB 3.29Å; G295-Q304 PolarHBondContact O-N 3.04Å
296D93.8Very high94.2Very high20 Ų2037.5 Ų37.511%0.10722%0.215CC..  trans-79.865.4176.4179.79.8000111.5P29 R298 M299 D300 G301 I303P29-D296 WeakPolarHBondContact CG-O 3.42Å; D296-R298 PolarHBondContact O-N 2.94Å; D296-R298 VanDerWaalsContact O-N 3.16Å; D296-M299 PolarHBondContact O-N 2.91Å; D296-M299 VanDerWaalsContact O-N 3.12Å; D296-M299 VanDerWaalsContact OD1-CA 3.28Å; D296-M299 WeakPolarHBondContact OD1-CA 3.47Å; D296-M299 PolarHBondContact OD1-N 2.92Å; D296-M299 WeakPolarHBondContact OD2-CA 3.39Å; D296-D300 PolarHBondContact OD1-N 3.39Å; D296-D300 PolarHBondContact OD2-N 3.41Å; D296-G301 VanDerWaalsContact OD2-CA 3.24Å; D296-G301 WeakPolarHBondContact OD2-CA 3.24Å; D296-G301 PolarHBondContact OD2-N 3.18Å; D296-I303 HydrophobicContact CB-CD1 4.27Å
297Y92.8Very high94.4Very high10 Ų1032.9 Ų32.94%0.03918%0.183CC..THydrogen-bonded Turntrans-61-28.2-172.5-174.8-102.4000114.1F6 L8 M21 L31 H43 P45 H46 G295 I306F6-Y297 AromaticContact CE1-CD1 3.77Å; F6-Y297 HydrophobicContact CE1-CD1 3.77Å; F6-Y297 HydrophobicContact CE1-CG 4.48Å; F6-Y297 AromaticContact CE2-CD1 3.95Å; F6-Y297 HydrophobicContact CE2-CD1 3.95Å; F6-Y297 AromaticContact CE2-CE1 3.93Å; F6-Y297 HydrophobicContact CE2-CE1 3.93Å; F6-Y297 AromaticContact CZ-CD1 3.42Å; F6-Y297 HydrophobicContact CZ-CD1 3.42Å; F6-Y297 VanDerWaalsContact CZ-CD1 3.42Å; F6-Y297 AromaticContact CZ-CE1 3.9Å; F6-Y297 HydrophobicContact CZ-CE1 3.9Å; F6-Y297 HydrophobicContact CZ-CG 4.08Å; L8-Y297 HydrophobicContact CD2-CE1 4.03Å; L8-Y297 WeakPolarHBondContact CD2-OH 3.46Å; M21-Y297 HydrophobicContact CE-CD2 4.29Å; L31-Y297 HydrophobicContact CB-CE2 4.06Å; H43-Y297 PolarHBondContact CE1-OH 3.48Å; H43-Y297 AromaticContact ND1-CZ 3.88Å; H43-Y297 PolarHBondContact ND1-OH 3.45Å; P45-Y297 HydrophobicContact CG-CE1 4.04Å; P45-Y297 HydrophobicContact CG-CE2 4.04Å; H46-Y297 PolarHBondContact NE2-O 2.98Å; G295-Y297 PolarHBondContact O-N 3.32Å; Y297-I306 HydrophobicContact CG-CD1 4.31Å
298R91.1Very high94.5Very high93 Ų9331.9 Ų31.935%0.35118%0.176SC..THydrogen-bonded Turntrans-90.8-5.6179.9-62.3-172.2-56.1-175.51.2114.3F6 D296 D300 L318F6-R298 HydrophobicContact CD1-CG 4.22Å; F6-R298 HydrophobicContact CE1-CG 4.41Å; D296-R298 PolarHBondContact O-N 2.94Å; D296-R298 VanDerWaalsContact O-N 3.16Å; R298-D300 VanDerWaalsContact C-N 3.26Å; R298-D300 IonicContact CZ-OD2 3.15Å; R298-D300 IonicContact NE-OD2 3.47Å; R298-D300 PolarHBondContact NE-OD2 3.03Å; R298-D300 IonicContact NH2-OD2 2.9Å; R298-D300 PolarHBondContact NH2-OD2 2.98Å; R298-D300 PolarHBondContact O-N 2.83Å; R298-L318 VanDerWaalsContact NH2-CD1 3.28Å
299M90.5Very high94.5Very high78 Ų7830.6 Ų30.638%0.38417%0.167SC..SBendtrans58.937.5-174.4-63.9-78.1-69.900112.5I27 P29 H46 D296I27-M299 HydrophobicContact CG2-CE 3.79Å; P29-M299 WeakPolarHBondContact CD-SD 3.38Å; P29-M299 HydrophobicContact CG-CG 4.47Å; P29-M299 HydrophobicContact CG-SD 4.11Å; H46-M299 WeakPolarHBondContact NE2-CG 3.38Å; D296-M299 PolarHBondContact O-N 2.91Å; D296-M299 VanDerWaalsContact O-N 3.12Å; D296-M299 VanDerWaalsContact OD1-CA 3.28Å; D296-M299 WeakPolarHBondContact OD1-CA 3.47Å; D296-M299 PolarHBondContact OD1-N 2.92Å; D296-M299 WeakPolarHBondContact OD2-CA 3.39Å
300D89.2Confident94.4Very high66 Ų6632.1 Ų32.135%0.35318%0.176SC..SBendtrans-100.35.3178.563.813000113.1D296 R298 Q302 Q304D296-D300 PolarHBondContact OD1-N 3.39Å; D296-D300 PolarHBondContact OD2-N 3.41Å; R298-D300 VanDerWaalsContact C-N 3.26Å; R298-D300 IonicContact CZ-OD2 3.15Å; R298-D300 IonicContact NE-OD2 3.47Å; R298-D300 PolarHBondContact NE-OD2 3.03Å; R298-D300 IonicContact NH2-OD2 2.9Å; R298-D300 PolarHBondContact NH2-OD2 2.98Å; R298-D300 PolarHBondContact O-N 2.83Å; D300-Q302 VanDerWaalsContact C-N 3.25Å; D300-Q302 PolarHBondContact O-N 2.84Å; D300-Q302 WeakPolarHBondContact OD1-CB 3.28Å; D300-Q302 PolarHBondContact OD1-N 3.03Å; D300-Q304 PolarHBondContact OD1-NE2 2.51Å; D300-Q304 VanDerWaalsContact OD1-NE2 3.16Å; D300-Q304 PolarHBondContact OD2-NE2 3.07Å
301G89.1Confident94.4Very high66 Ų6635.8 Ų35.868%0.6819%0.193SC*.SBendtrans802-178.700000113.8D296D296-G301 VanDerWaalsContact OD2-CA 3.24Å; D296-G301 WeakPolarHBondContact OD2-CA 3.24Å; D296-G301 PolarHBondContact OD2-N 3.18Å
302Q90.6Very high94.2Very high103 Ų10335.7 Ų35.748%0.48119%0.192SC..  trans-111.6128.7179.1-58.9-175.3500110.6D300 Q304 L318D300-Q302 VanDerWaalsContact C-N 3.25Å; D300-Q302 PolarHBondContact O-N 2.84Å; D300-Q302 WeakPolarHBondContact OD1-CB 3.28Å; D300-Q302 PolarHBondContact OD1-N 3.03Å; Q302-Q304 PolarHBondContact O-N 3.25Å; Q302-Q304 PolarHBondContact O-NE2 3.1Å; Q302-L318 HydrophobicContact CB-CD2 3.63Å
303I93Very high94.2Very high84 Ų8436.8 Ų36.843%0.43120%0.197SC..  trans-69.3131.2174.2-53.5-61.3000109F250 E294 D296F250-I303 HydrophobicContact CE2-CB 4.47Å; F250-I303 HydrophobicContact CE2-CG2 3.87Å; E294-I303 HydrophobicContact CB-CG2 3.9Å; E294-I303 HydrophobicContact CG-CG2 4.29Å; D296-I303 HydrophobicContact CB-CD1 4.27Å
304Q94Very high94.2Very high0 Ų036 Ų360%019%0.193CC..EExtended strand (participates in β ladder)trans-114.1144-178.4-62.915132.300109.3I5 E294 G295 D300 Q302 I306 Y317 L318I5-Q304 HydrophobicContact CD1-CB 4.39Å; I5-Q304 HydrophobicContact CD1-CG 3.7Å; E294-Q304 VanDerWaalsContact CA-O 3.3Å; E294-Q304 WeakPolarHBondContact CA-O 3.25Å; G295-Q304 PolarHBondContact N-O 3.26Å; G295-Q304 WeakPolarHBondContact O-CB 3.29Å; G295-Q304 PolarHBondContact O-N 3.04Å; D300-Q304 PolarHBondContact OD1-NE2 2.51Å; D300-Q304 VanDerWaalsContact OD1-NE2 3.16Å; D300-Q304 PolarHBondContact OD2-NE2 3.07Å; Q302-Q304 PolarHBondContact O-N 3.25Å; Q302-Q304 PolarHBondContact O-NE2 3.1Å; Q304-I306 HydrophobicContact CB-CG1 4.37Å; Q304-Y317 CarbonylContact C-O 3.59Å; Q304-Y317 WeakPolarHBondContact CA-O 3.4Å; Q304-L318 HydrophobicContact CG-CD2 3.5Å; Q304-L318 HydrophobicContact CG-CG 4.16Å
305L96.6Very high94.2Very high0 Ų033.6 Ų33.60%018%0.18CC..EExtended strand (participates in β ladder)trans-81.1123.2167.9-179.770.2000108.7F250 L252 I261 V292 G316 Y317F250-L305 HydrophobicContact CB-CD1 4Å; F250-L305 HydrophobicContact CD1-CB 3.76Å; F250-L305 HydrophobicContact CD1-CD1 4.22Å; F250-L305 HydrophobicContact CD1-CD2 4.31Å; F250-L305 HydrophobicContact CD1-CG 4.32Å; F250-L305 HydrophobicContact CE1-CB 3.7Å; F250-L305 HydrophobicContact CG-CB 4.21Å; F250-L305 HydrophobicContact CG-CD1 4.03Å; F250-L305 HydrophobicContact CZ-CB 4.12Å; L252-L305 HydrophobicContact CD1-CD2 4.15Å; I261-L305 HydrophobicContact CD1-CD2 4.25Å; I261-L305 HydrophobicContact CG1-CD1 4.08Å; I261-L305 HydrophobicContact CG1-CD2 4.13Å; I261-L305 HydrophobicContact CG2-CD1 4.36Å; I261-L305 HydrophobicContact CG2-CD2 4Å; V292-L305 HydrophobicContact CG1-CD1 3.47Å; V292-L305 VanDerWaalsContact CG1-CD1 3.47Å; V292-L305 HydrophobicContact CG1-CG 4.31Å; L305-G316 CarbonylContact O-C 3.52Å; L305-G316 VanDerWaalsContact O-CA 3.3Å; L305-G316 WeakPolarHBondContact O-CA 3.34Å; L305-Y317 PolarHBondContact N-O 2.88Å; L305-Y317 PolarHBondContact O-N 3.19Å
306I97.2Very high94.3Very high0 Ų033.1 Ų33.10%017%0.174CC..EExtended strand (participates in β ladder)trans-120115.8-173.6-62.8150.8000108.5F6 M21 V292 V293 Y297 Q304 T308 V314 R315F6-I306 HydrophobicContact CZ-CG1 4.13Å; M21-I306 HydrophobicContact CE-CD1 4Å; M21-I306 HydrophobicContact SD-CD1 3.21Å; M21-I306 WeakPolarHBondContact SD-CD1 3.28Å; M21-I306 HydrophobicContact SD-CG1 4.49Å; V292-I306 WeakPolarHBondContact CA-O 3.33Å; V293-I306 HydrophobicContact CG2-CB 4Å; V293-I306 HydrophobicContact CG2-CG2 4.24Å; V293-I306 PolarHBondContact N-O 2.91Å; V293-I306 PolarHBondContact O-N 3.34Å; Y297-I306 HydrophobicContact CG-CD1 4.31Å; Q304-I306 HydrophobicContact CB-CG1 4.37Å; I306-T308 HydrophobicContact CG2-CG2 4.49Å; I306-V314 HydrophobicContact CG2-CG1 3.73Å; I306-R315 WeakPolarHBondContact CA-O 3.16Å
307C97.4Very high94.3Very high0 Ų032.2 Ų32.20%017%0.169CC..EExtended strand (participates in β ladder)trans-109.9130.2-176.9-610000109.3I269 F285 V314 R315 Y317I269-C307 HydrophobicContact CD1-CB 3.51Å; F285-C307 HydrophobicContact CE2-CB 3.89Å; F285-C307 HydrophobicContact CZ-CB 3.91Å; F285-C307 WeakPolarHBondContact CZ-O 3.19Å; C307-V314 WeakPolarHBondContact O-CA 3.48Å; C307-R315 PolarHBondContact N-O 2.75Å; C307-R315 PolarHBondContact O-N 3.32Å; C307-Y317 HydrophobicContact CB-CE2 4.22Å
308T97.4Very high94.3Very high1 Ų133.2 Ų33.21%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-120.5139.8-176.763.80000110.6V19 L31 V289 A290 G291 I306 E313 V314V19-T308 HydrophobicContact CG1-CG2 4.1Å; L31-T308 HydrophobicContact CD1-CG2 4.25Å; L31-T308 HydrophobicContact CD2-CG2 4.01Å; V289-T308 WeakPolarHBondContact CG1-O 3.14Å; A290-T308 PolarHBondContact N-O 2.75Å; G291-T308 PolarHBondContact N-O 2.66Å; G291-T308 PolarHBondContact N-OG1 3.03Å; G291-T308 PolarHBondContact O-N 3.18Å; G291-T308 PolarHBondContact O-OG1 3.14Å; I306-T308 HydrophobicContact CG2-CG2 4.49Å; T308-E313 CarbonylContact C-O 3.58Å; T308-E313 WeakPolarHBondContact CA-O 3.32Å; T308-V314 HydrophobicContact CG2-CB 4.46Å; T308-V314 HydrophobicContact CG2-CG1 4.07Å; T308-V314 HydrophobicContact CG2-CG2 3.92Å
309S97.4Very high94.1Very high0 Ų030.8 Ų30.80%017%0.171CC..EExtended strand (participates in β ladder)trans-99.9158.3175.491.40000111.9S287 S288 E311 G312 E313S287-S309 VanDerWaalsContact OG-CB 3.3Å; S287-S309 WeakPolarHBondContact OG-CB 3.49Å; S287-S309 PolarHBondContact OG-OG 2.84Å; S287-S309 VanDerWaalsContact OG-OG 3.12Å; S288-S309 WeakPolarHBondContact O-CA 3.37Å; S309-E311 PolarHBondContact O-N 2.79Å; S309-E311 PolarHBondContact OG-N 2.83Å; S309-G312 PolarHBondContact O-N 2.89Å; S309-E313 PolarHBondContact N-O 3.39Å; S309-E313 WeakPolarHBondContact OG-CB 3.39Å; S309-E313 PolarHBondContact OG-N 2.9Å; S309-E313 VanDerWaalsContact OG-N 3.1Å
310V96.8Very high93.5Very high33 Ų3327.1 Ų27.120%0.215%0.154CC..THydrogen-bonded Turntrans-59.3-30.1176.9172.50000112.1K13 I14 P16 S288 A290 G312K13-V310 CarbonylContact C-O 3.59Å; K13-V310 VanDerWaalsContact CA-O 3.27Å; K13-V310 WeakPolarHBondContact CA-O 3.42Å; I14-V310 PolarHBondContact N-O 2.93Å; P16-V310 HydrophobicContact CG-CG2 4.05Å; S288-V310 PolarHBondContact O-N 2.73Å; A290-V310 HydrophobicContact CB-CG2 3.95Å; V310-G312 PolarHBondContact O-N 2.97Å
311E95.8Very high92.5Very high77 Ų7726.8 Ų26.836%0.3616%0.156SC..THydrogen-bonded Turntrans-83.76176.4-64.9-61.7143.600112.9K9 K13 S309K9-E311 WeakPolarHBondContact CE-O 3.34Å; K9-E311 PolarHBondContact NZ-O 2.71Å; K13-E311 VanDerWaalsContact NZ-CD 3.33Å; K13-E311 IonicContact NZ-OE1 3.2Å; K13-E311 PolarHBondContact NZ-OE1 2.68Å; K13-E311 IonicContact NZ-OE2 3.07Å; K13-E311 PolarHBondContact NZ-OE2 2.8Å; K13-E311 VanDerWaalsContact NZ-OE2 3.07Å; S309-E311 PolarHBondContact O-N 2.79Å; S309-E311 PolarHBondContact OG-N 2.83Å
312G93.3Very high91Very high0 Ų032 Ų320%016%0.16CC..SBendtrans83.814.1177.200000115L10 H12 S309 V310L10-G312 WeakPolarHBondContact CB-O 3.43Å; L10-G312 PolarHBondContact N-O 2.91Å; H12-G312 WeakPolarHBondContact O-CA 3.33Å; S309-G312 PolarHBondContact O-N 2.89Å; V310-G312 PolarHBondContact O-N 2.97Å
313E96.1Very high89.2Confident27 Ų2735.5 Ų35.513%0.12618%0.177CC..EExtended strand (participates in β ladder)trans-75.2131168.5-169.9-176.4168.200109.1K9 F285 S286 T308 S309 R315K9-E313 HydrophobicContact CD-CB 4.26Å; F285-E313 HydrophobicContact CD1-CB 4.07Å; F285-E313 HydrophobicContact CD1-CG 4.04Å; F285-E313 HydrophobicContact CE1-CB 4.01Å; F285-E313 HydrophobicContact CE1-CG 3.84Å; S286-E313 PolarHBondContact OG-OE2 2.95Å; S286-E313 VanDerWaalsContact OG-OE2 3.04Å; T308-E313 CarbonylContact C-O 3.58Å; T308-E313 WeakPolarHBondContact CA-O 3.32Å; S309-E313 PolarHBondContact N-O 3.39Å; S309-E313 WeakPolarHBondContact OG-CB 3.39Å; S309-E313 PolarHBondContact OG-N 2.9Å; S309-E313 VanDerWaalsContact OG-N 3.1Å; E313-R315 IonicContact OE1-CZ 2.62Å; E313-R315 VanDerWaalsContact OE1-CZ 3.23Å; E313-R315 IonicContact OE1-NE 3.34Å; E313-R315 PolarHBondContact OE1-NE 3.24Å; E313-R315 IonicContact OE1-NH2 3.34Å; E313-R315 PolarHBondContact OE1-NH2 2.62Å; E313-R315 IonicContact OE2-NH2 3.73Å
314V96.1Very high87.3Confident0 Ų036 Ų360%018%0.178CC..EExtended strand (participates in β ladder)trans-126.5130.7-179.7-178.10000109.2F6 T7 L8 L10 L31 I306 C307 T308F6-V314 HydrophobicContact CE2-CG1 4.2Å; T7-V314 CarbonylContact C-O 3.56Å; T7-V314 WeakPolarHBondContact CA-O 3.44Å; L8-V314 HydrophobicContact CD1-CB 3.57Å; L8-V314 HydrophobicContact CD1-CG1 4.37Å; L8-V314 HydrophobicContact CD1-CG2 3.66Å; L8-V314 HydrophobicContact CG-CB 3.8Å; L8-V314 HydrophobicContact CG-CG1 4.35Å; L8-V314 HydrophobicContact CG-CG2 4.44Å; L8-V314 PolarHBondContact N-O 3.17Å; L8-V314 PolarHBondContact O-N 2.86Å; L10-V314 HydrophobicContact CD1-CG2 3.77Å; L10-V314 HydrophobicContact CG-CG2 4.08Å; L31-V314 HydrophobicContact CD2-CG1 4.01Å; L31-V314 HydrophobicContact CD2-CG2 3.93Å; I306-V314 HydrophobicContact CG2-CG1 3.73Å; C307-V314 WeakPolarHBondContact O-CA 3.48Å; T308-V314 HydrophobicContact CG2-CB 4.46Å; T308-V314 HydrophobicContact CG2-CG1 4.07Å; T308-V314 HydrophobicContact CG2-CG2 3.92Å
315R96.6Very high85.1Confident37 Ų3740 Ų4014%0.1420%0.196CC..EExtended strand (participates in β ladder)trans-127.7136.4176.6-60.9179.9-171.2172.95.2109.8P4 F6 T7 D283 N284 F285 I306 C307 E313 Y317P4-R315 HydrophobicContact CB-CB 4.07Å; P4-R315 HydrophobicContact CB-CG 4.4Å; F6-R315 WeakPolarHBondContact O-CA 3.36Å; T7-R315 HydrophobicContact CG2-CG 4.03Å; D283-R315 IonicContact OD1-NH1 3.97Å; D283-R315 PolarHBondContact OD1-NH1 3.29Å; D283-R315 IonicContact OD2-NH1 3.23Å; D283-R315 PolarHBondContact OD2-NH1 2.89Å; N284-R315 PolarHBondContact O-NH1 2.8Å; N284-R315 PolarHBondContact O-NH2 3.07Å; F285-R315 HydrophobicContact CE1-CG 3.88Å; F285-R315 HydrophobicContact CE2-CB 4.41Å; F285-R315 HydrophobicContact CE2-CG 4.27Å; F285-R315 HydrophobicContact CZ-CB 3.73Å; F285-R315 VanDerWaalsContact CZ-CD 3.5Å; F285-R315 HydrophobicContact CZ-CG 3.51Å; I306-R315 WeakPolarHBondContact CA-O 3.16Å; C307-R315 PolarHBondContact N-O 2.75Å; C307-R315 PolarHBondContact O-N 3.32Å; E313-R315 IonicContact OE1-CZ 2.62Å; E313-R315 VanDerWaalsContact OE1-CZ 3.23Å; E313-R315 IonicContact OE1-NE 3.34Å; E313-R315 PolarHBondContact OE1-NE 3.24Å; E313-R315 IonicContact OE1-NH2 3.34Å; E313-R315 PolarHBondContact OE1-NH2 2.62Å; E313-R315 IonicContact OE2-NH2 3.73Å; R315-Y317 HydrophobicContact CB-CE2 3.79Å; R315-Y317 VanDerWaalsContact CD-OH 3.23Å; R315-Y317 WeakPolarHBondContact CD-OH 3.49Å
316G95.2Very high82.6Confident0 Ų042.9 Ų42.90%023%0.225CC..EExtended strand (participates in β ladder)trans-107.3145.5172.500000111.9P4 I5 F6 L305P4-G316 CarbonylContact C-O 3.5Å; P4-G316 WeakPolarHBondContact CA-O 3.45Å; I5-G316 VanDerWaalsContact CG1-C 3.43Å; I5-G316 WeakPolarHBondContact CG1-O 3.19Å; I5-G316 PolarHBondContact N-O 2.78Å; F6-G316 PolarHBondContact O-N 3.19Å; L305-G316 CarbonylContact O-C 3.52Å; L305-G316 VanDerWaalsContact O-CA 3.3Å; L305-G316 WeakPolarHBondContact O-CA 3.34Å
317Y94.5Very high80.1Confident1 Ų149 Ų490%0.00426%0.258CS..EExtended strand (participates in β ladder)trans-130.5141.2176.8-51.2-97.3000109.3P4 F281 D283 Q304 L305 C307 R315P4-Y317 HydrophobicContact CB-CD1 4.41Å; P4-Y317 HydrophobicContact CB-CE1 3.94Å; P4-Y317 HydrophobicContact CG-CE1 4.49Å; F281-Y317 HydrophobicContact CE1-CE1 4.48Å; F281-Y317 HydrophobicContact CZ-CD1 4.03Å; F281-Y317 AromaticContact CZ-CE1 3.84Å; F281-Y317 HydrophobicContact CZ-CE1 3.84Å; D283-Y317 PolarHBondContact OD2-OH 2.85Å; Q304-Y317 CarbonylContact C-O 3.59Å; Q304-Y317 WeakPolarHBondContact CA-O 3.4Å; L305-Y317 PolarHBondContact N-O 2.88Å; L305-Y317 PolarHBondContact O-N 3.19Å; C307-Y317 HydrophobicContact CB-CE2 4.22Å; R315-Y317 HydrophobicContact CB-CE2 3.79Å; R315-Y317 VanDerWaalsContact CD-OH 3.23Å; R315-Y317 WeakPolarHBondContact CD-OH 3.49Å
318L91.6Very high77.6Confident31 Ų3151.7 Ų51.716%0.16227%0.272CS..PPolyproline II helixtrans-93.6153.7168.2-82.8174.4000110.6I5 R298 Q302 Q304I5-L318 HydrophobicContact CD1-CG 3.98Å; I5-L318 HydrophobicContact CG2-CB 4.27Å; I5-L318 HydrophobicContact CG2-CD1 4.15Å; I5-L318 HydrophobicContact CG2-CG 4.13Å; R298-L318 VanDerWaalsContact NH2-CD1 3.28Å; Q302-L318 HydrophobicContact CB-CD2 3.63Å; Q304-L318 HydrophobicContact CG-CD2 3.5Å; Q304-L318 HydrophobicContact CG-CG 4.16Å
319P87.1Confident75Confident42 Ų4257.6 Ų57.627%0.27330%0.301SS..PPolyproline II helixtrans-53.9145164.6-22.633.1000110.9F250 L252 A254 S321F250-P319 HydrophobicContact CE1-CG 3.9Å; F250-P319 HydrophobicContact CZ-CG 3.67Å; L252-P319 CarbonylContact O-C 3.54Å; L252-P319 VanDerWaalsContact O-CA 3.31Å; L252-P319 WeakPolarHBondContact O-CA 3.19Å; A254-P319 HydrophobicContact CB-CB 4.16Å; P319-S321 PolarHBondContact O-N 2.78Å
320A79Confident72.7Confident2 Ų259.7 Ų59.72%0.01731%0.312CS..PPolyproline II helixtrans-67.3127.5-178.200000111.1L2 L252 A254 L328L2-A320 HydrophobicContact CD1-CB 4.44Å; L2-A320 HydrophobicContact CD2-CB 3.85Å; L2-A320 HydrophobicContact CG-CB 4.49Å; L252-A320 PolarHBondContact O-N 3.27Å; A254-A320 WeakPolarHBondContact CB-O 3.29Å; A320-L328 HydrophobicContact CB-CD1 3.13Å; A320-L328 HydrophobicContact CB-CD2 4.06Å; A320-L328 HydrophobicContact CB-CG 4.18Å
321S67.9Low70.5Confident58 Ų5861.7 Ų61.741%0.40633%0.328SS..PPolyproline II helixtrans-68.7154.1-178.870.20000111.9P319 E323 M324 K325P319-S321 PolarHBondContact O-N 2.78Å; S321-E323 PolarHBondContact O-N 3.05Å; S321-E323 VanDerWaalsContact O-N 3.12Å; S321-M324 CarbonylContact O-C 3.42Å; S321-M324 WeakPolarHBondContact O-CA 3.44Å; S321-M324 WeakPolarHBondContact O-CB 3.28Å; S321-M324 PolarHBondContact O-N 3.42Å; S321-M324 PolarHBondContact OG-N 3.23Å; S321-K325 PolarHBondContact O-N 2.9Å
322K57.2Low68.6Low175 Ų17560 Ų6076%0.76133%0.325SS*.THydrogen-bonded Turntrans-56.9-27.1176.1-71.4-176.7-179.9177.90113.3K325K322-K325 WeakPolarHBondContact O-CB 3.35Å; K322-K325 PolarHBondContact O-N 2.84Å
323E52.3Low66.8Low178 Ų17864.2 Ų64.283%0.83235%0.35SS*.THydrogen-bonded Turntrans-77.5-32.1174.3-66.8178.4174.800112.2S321 K325S321-E323 PolarHBondContact O-N 3.05Å; S321-E323 VanDerWaalsContact O-N 3.12Å; E323-K325 VanDerWaalsContact C-N 3.3Å
324M54.3Low65Low93 Ų9367 Ų6746%0.45836%0.363SS..G310 helixtrans-73.3-15.6169.5-83.6-173.5162.200113.1S321 G326 N327 L328S321-M324 CarbonylContact O-C 3.42Å; S321-M324 WeakPolarHBondContact O-CA 3.44Å; S321-M324 WeakPolarHBondContact O-CB 3.28Å; S321-M324 PolarHBondContact O-N 3.42Å; S321-M324 PolarHBondContact OG-N 3.23Å; M324-G326 PolarHBondContact O-N 2.97Å; M324-N327 CarbonylContact O-C 3.47Å; M324-N327 WeakPolarHBondContact O-CA 3.46Å; M324-N327 PolarHBondContact O-N 2.86Å; M324-L328 HydrophobicContact CB-CD1 3.93Å; M324-L328 HydrophobicContact CB-CG 4.27Å; M324-L328 WeakPolarHBondContact O-CB 3.49Å; M324-L328 VanDerWaalsContact O-CD1 3.24Å; M324-L328 WeakPolarHBondContact O-CD1 3.39Å; M324-L328 WeakPolarHBondContact O-CG 3.38Å; M324-L328 PolarHBondContact O-N 3.42Å
325K47.4Very low63.5Low86 Ų8672.9 Ų72.937%0.37439%0.391SS..G310 helixtrans-56.1-31.4173.4-74.1-170.2177.5-168.90113.3N253 A254 S321 K322 E323N253-K325 WeakPolarHBondContact O-CE 3.4Å; A254-K325 PolarHBondContact O-NZ 2.88Å; S321-K325 PolarHBondContact O-N 2.9Å; K322-K325 WeakPolarHBondContact O-CB 3.35Å; K322-K325 PolarHBondContact O-N 2.84Å; E323-K325 VanDerWaalsContact C-N 3.3Å
326G45.1Very low62.2Low59 Ų5974 Ų7461%0.60840%0.4SS*.G310 helixtrans-76-19.2172.200000114.7M324M324-G326 PolarHBondContact O-N 2.97Å
327N42.8Very low61.3Low128 Ų12878.6 Ų78.668%0.68442%0.423SS*.THydrogen-bonded Turntrans-113.5-1.9-176.9-75.6-18.2000113.9M324M324-N327 CarbonylContact O-C 3.47Å; M324-N327 WeakPolarHBondContact O-CA 3.46Å; M324-N327 PolarHBondContact O-N 2.86Å
328L45.9Very low60.6Low58 Ų5883.7 Ų83.730%0.30445%0.45SS..SBendtrans-85-19.2172.1-77.7150.5000112L2 A320 M324 D330L2-L328 HydrophobicContact CG-CD2 4.13Å; A320-L328 HydrophobicContact CB-CD1 3.13Å; A320-L328 HydrophobicContact CB-CD2 4.06Å; A320-L328 HydrophobicContact CB-CG 4.18Å; M324-L328 HydrophobicContact CB-CD1 3.93Å; M324-L328 HydrophobicContact CB-CG 4.27Å; M324-L328 WeakPolarHBondContact O-CB 3.49Å; M324-L328 VanDerWaalsContact O-CD1 3.24Å; M324-L328 WeakPolarHBondContact O-CD1 3.39Å; M324-L328 WeakPolarHBondContact O-CG 3.38Å; M324-L328 PolarHBondContact O-N 3.42Å; L328-D330 PolarHBondContact O-N 3.39Å
329M43.9Very low60.3Low124 Ų12489.6 Ų89.661%0.61147%0.47SS*.SBendtrans-67.270.6148.4-81.3168.4167.100107.5S331 E334M329-S331 PolarHBondContact O-N 3.31Å; M329-E334 HydrophobicContact CB-CG 4.09Å; M329-E334 HydrophobicContact CG-CG 4.19Å
330D47.7Very low60.2Low44 Ų4493.8 Ų93.824%0.23549%0.485CS..  trans-52.9126.9167.9-148.2-49.5000105.7M1 L328 S332 V333 E334M1-D330 PolarHBondContact N-OD2 3.34Å; L328-D330 PolarHBondContact O-N 3.39Å; D330-S332 WeakPolarHBondContact CB-OG 3.42Å; D330-S332 PolarHBondContact O-N 2.92Å; D330-S332 PolarHBondContact OD1-OG 3.49Å; D330-V333 HydrophobicContact CB-CG2 4.17Å; D330-V333 PolarHBondContact O-N 3.45Å; D330-E334 PolarHBondContact O-N 3.3Å
331S50.6Low60.6Low75 Ų7598.3 Ų98.352%0.52451%0.509SS..Hα-helixtrans-55.3-20.9-179.379.70000111.4M329 Q335M329-S331 PolarHBondContact O-N 3.31Å; S331-Q335 WeakPolarHBondContact O-CA 3.48Å; S331-Q335 WeakPolarHBondContact O-CB 3.49Å; S331-Q335 WeakPolarHBondContact O-CG 3.29Å; S331-Q335 PolarHBondContact O-N 2.9Å
332S55.6Low61.7Low43 Ų4399 Ų9930%0.30151%0.513SS..Hα-helixtrans-67-41.417159.80000114.8D330 D336D330-S332 WeakPolarHBondContact CB-OG 3.42Å; D330-S332 PolarHBondContact O-N 2.92Å; D330-S332 PolarHBondContact OD1-OG 3.49Å; S332-D336 VanDerWaalsContact O-CB 3.26Å; S332-D336 WeakPolarHBondContact O-CB 3.25Å; S332-D336 PolarHBondContact O-N 2.92Å
333V55.7Low63.3Low88 Ų8896 Ų9653%0.53350%0.503SS..Hα-helixtrans-74.6-41.7178.3177.90000110.4D330 D336 L337D330-V333 HydrophobicContact CB-CG2 4.17Å; D330-V333 PolarHBondContact O-N 3.45Å; V333-D336 PolarHBondContact O-N 3.33Å; V333-L337 WeakPolarHBondContact O-CB 3.47Å; V333-L337 PolarHBondContact O-N 3.17Å
334E58.9Low65.2Low84 Ų8495.9 Ų95.939%0.39349%0.494SS..Hα-helixtrans-64.4-40.3171.7-70.7-167.5153.100111.5M329 D330 L337 I338M329-E334 HydrophobicContact CB-CG 4.09Å; M329-E334 HydrophobicContact CG-CG 4.19Å; D330-E334 PolarHBondContact O-N 3.3Å; E334-L337 PolarHBondContact O-N 2.97Å; E334-I338 VanDerWaalsContact O-CB 3.28Å; E334-I338 WeakPolarHBondContact O-CB 3.38Å; E334-I338 WeakPolarHBondContact O-CD1 3.5Å; E334-I338 WeakPolarHBondContact O-CG1 3.22Å; E334-I338 PolarHBondContact O-N 2.97Å
335Q63.9Low67Low125 Ų12599.9 Ų99.958%0.58450%0.504SS*.Hα-helixtrans-65.6-37.7173.5-81.7178.29.600112.5S331 I338 R339S331-Q335 WeakPolarHBondContact O-CA 3.48Å; S331-Q335 WeakPolarHBondContact O-CB 3.49Å; S331-Q335 WeakPolarHBondContact O-CG 3.29Å; S331-Q335 PolarHBondContact O-N 2.9Å; Q335-I338 PolarHBondContact O-N 2.9Å; Q335-R339 WeakPolarHBondContact O-CB 3.23Å; Q335-R339 PolarHBondContact O-N 3.06Å
336D70.8Confident69.2Low61 Ų61100.2 Ų100.233%0.32651%0.507SS..Hα-helixtrans-65.9-42.5175.3-81.7-22.8000110.6S332 V333 R339 E340S332-D336 VanDerWaalsContact O-CB 3.26Å; S332-D336 WeakPolarHBondContact O-CB 3.25Å; S332-D336 PolarHBondContact O-N 2.92Å; V333-D336 PolarHBondContact O-N 3.33Å; D336-R339 WeakPolarHBondContact O-CB 3.46Å; D336-R339 PolarHBondContact O-N 3.25Å; D336-R339 IonicContact OD1-CZ 2.66Å; D336-R339 IonicContact OD1-NE 3.8Å; D336-R339 IonicContact OD1-NH1 3.16Å; D336-R339 PolarHBondContact OD1-NH1 3.5Å; D336-R339 IonicContact OD1-NH2 3.82Å; D336-R339 PolarHBondContact OD1-NH2 2.93Å; D336-E340 WeakPolarHBondContact O-CB 3.33Å; D336-E340 PolarHBondContact O-N 3.5Å
337L74.4Confident71.4Confident95 Ų95101.8 Ų101.850%0.49750%0.502SS..Hα-helixtrans-64.6-44.9174.3-177.667000111.5V333 E334 R339 E340 L341V333-L337 WeakPolarHBondContact O-CB 3.47Å; V333-L337 PolarHBondContact O-N 3.17Å; E334-L337 PolarHBondContact O-N 2.97Å; L337-R339 VanDerWaalsContact C-N 3.28Å; L337-R339 PolarHBondContact O-N 3.44Å; L337-E340 PolarHBondContact O-N 3.36Å; L337-L341 HydrophobicContact CD1-CD1 4.41Å; L337-L341 HydrophobicContact CD1-CG 4.44Å; L337-L341 HydrophobicContact CG-CD1 4.08Å; L337-L341 HydrophobicContact CG-CG 4.49Å; L337-L341 WeakPolarHBondContact O-CB 3.42Å; L337-L341 VanDerWaalsContact O-CG 3.28Å; L337-L341 WeakPolarHBondContact O-CG 3.37Å; L337-L341 PolarHBondContact O-N 2.98Å
338I80.8Confident73.8Confident109 Ų109100.4 Ų100.456%0.55949%0.494SS*.Hα-helixtrans-61.1-40.4174.6-71.2163.3000110E334 Q335 S342E334-I338 VanDerWaalsContact O-CB 3.28Å; E334-I338 WeakPolarHBondContact O-CB 3.38Å; E334-I338 WeakPolarHBondContact O-CD1 3.5Å; E334-I338 WeakPolarHBondContact O-CG1 3.22Å; E334-I338 PolarHBondContact O-N 2.97Å; Q335-I338 PolarHBondContact O-N 2.9Å; I338-S342 WeakPolarHBondContact O-CB 3.37Å; I338-S342 PolarHBondContact O-N 3.38Å
339R85.3Confident76Confident155 Ų155100.9 Ų100.959%0.58550%0.496SS*.Hα-helixtrans-64.7-44.8175.9-175.818069.4-154.5-9110.9Q335 D336 L337 S342 Q343Q335-R339 WeakPolarHBondContact O-CB 3.23Å; Q335-R339 PolarHBondContact O-N 3.06Å; D336-R339 WeakPolarHBondContact O-CB 3.46Å; D336-R339 PolarHBondContact O-N 3.25Å; D336-R339 IonicContact OD1-CZ 2.66Å; D336-R339 IonicContact OD1-NE 3.8Å; D336-R339 IonicContact OD1-NH1 3.16Å; D336-R339 PolarHBondContact OD1-NH1 3.5Å; D336-R339 IonicContact OD1-NH2 3.82Å; D336-R339 PolarHBondContact OD1-NH2 2.93Å; L337-R339 VanDerWaalsContact C-N 3.28Å; L337-R339 PolarHBondContact O-N 3.44Å; R339-S342 PolarHBondContact O-N 3.23Å; R339-Q343 VanDerWaalsContact O-CB 3.31Å; R339-Q343 WeakPolarHBondContact O-CB 3.18Å; R339-Q343 PolarHBondContact O-N 3Å
340E84.7Confident78.3Confident129 Ų12998.4 Ų98.460%0.60349%0.485SS*.Hα-helixtrans-63.8-46.5178-171178.7173.200111.4D336 L337 S342 Q343 R344D336-E340 WeakPolarHBondContact O-CB 3.33Å; D336-E340 PolarHBondContact O-N 3.5Å; L337-E340 PolarHBondContact O-N 3.36Å; E340-S342 VanDerWaalsContact C-N 3.34Å; E340-S342 PolarHBondContact O-N 2.85Å; E340-Q343 PolarHBondContact O-N 3.36Å; E340-R344 WeakPolarHBondContact O-CB 3.47Å; E340-R344 PolarHBondContact O-N 3.27Å
341L88.4Confident80.4Confident98 Ų98100.3 Ų100.351%0.51349%0.493SS..Hα-helixtrans-63.3-39.6175.1-70.9173.4000111.9L337 R344 R345L337-L341 HydrophobicContact CD1-CD1 4.41Å; L337-L341 HydrophobicContact CD1-CG 4.44Å; L337-L341 HydrophobicContact CG-CD1 4.08Å; L337-L341 HydrophobicContact CG-CG 4.49Å; L337-L341 WeakPolarHBondContact O-CB 3.42Å; L337-L341 VanDerWaalsContact O-CG 3.28Å; L337-L341 WeakPolarHBondContact O-CG 3.37Å; L337-L341 PolarHBondContact O-N 2.98Å; L341-R344 PolarHBondContact O-N 3.04Å; L341-R345 WeakPolarHBondContact O-CB 3.39Å; L341-R345 PolarHBondContact O-N 3.28Å
342S90.3Very high82.2Confident71 Ų71100.9 Ų100.950%0.49749%0.489SS..Hα-helixtrans-65.2-39.5174.4-174.60000111.5I338 R339 E340 R345 Q346I338-S342 WeakPolarHBondContact O-CB 3.37Å; I338-S342 PolarHBondContact O-N 3.38Å; R339-S342 PolarHBondContact O-N 3.23Å; E340-S342 VanDerWaalsContact C-N 3.34Å; E340-S342 PolarHBondContact O-N 2.85Å; S342-R345 PolarHBondContact O-N 2.97Å; S342-Q346 WeakPolarHBondContact O-CB 3.38Å; S342-Q346 PolarHBondContact O-N 3.34Å
343Q91.6Very high83.9Confident114 Ų114105 Ų10553%0.53350%0.498SS..Hα-helixtrans-66.9-41.6175.5-171170.66.700110.9R339 E340 Q346 N347R339-Q343 VanDerWaalsContact O-CB 3.31Å; R339-Q343 WeakPolarHBondContact O-CB 3.18Å; R339-Q343 PolarHBondContact O-N 3Å; E340-Q343 PolarHBondContact O-N 3.36Å; Q343-Q346 PolarHBondContact O-N 2.91Å; Q343-N347 VanDerWaalsContact O-CG 3.24Å; Q343-N347 PolarHBondContact O-N 3.39Å; Q343-N347 PolarHBondContact O-OD1 3.46Å
344R90.7Very high85.3Confident175 Ų175105 Ų10566%0.6650%0.495SS*.Hα-helixtrans-62.3-43.1174-168.6169.8-1761670.5111.7E340 L341 Q346 N347 L348E340-R344 WeakPolarHBondContact O-CB 3.47Å; E340-R344 PolarHBondContact O-N 3.27Å; L341-R344 PolarHBondContact O-N 3.04Å; R344-Q346 VanDerWaalsContact C-N 3.34Å; R344-Q346 PolarHBondContact O-N 3.12Å; R344-N347 PolarHBondContact O-N 2.78Å; R344-L348 HydrophobicContact CG-CD1 4.47Å; R344-L348 WeakPolarHBondContact O-CG 3.27Å; R344-L348 PolarHBondContact O-N 3.38Å
345R92.6Very high86.4Confident177 Ų177108 Ų10867%0.66850%0.504SS*.Hα-helixtrans-58.8-45.2172.3178.9-176.1173.5-176.6-0.8111.4L341 S342 L348 L349L341-R345 WeakPolarHBondContact O-CB 3.39Å; L341-R345 PolarHBondContact O-N 3.28Å; S342-R345 PolarHBondContact O-N 2.97Å; R345-L348 PolarHBondContact O-N 3.45Å; R345-L349 HydrophobicContact CG-CD1 4.16Å; R345-L349 WeakPolarHBondContact O-CG 3.31Å; R345-L349 PolarHBondContact O-N 3.01Å
346Q93.1Very high87.4Confident93 Ų93106.7 Ų106.744%0.43550%0.498SS..Hα-helixtrans-63.4-41.4178.5-173.466.29.500111.7S342 Q343 R344 L349 L350S342-Q346 WeakPolarHBondContact O-CB 3.38Å; S342-Q346 PolarHBondContact O-N 3.34Å; Q343-Q346 PolarHBondContact O-N 2.91Å; R344-Q346 VanDerWaalsContact C-N 3.34Å; R344-Q346 PolarHBondContact O-N 3.12Å; Q346-L349 PolarHBondContact O-N 3.2Å; Q346-L350 WeakPolarHBondContact O-CG 3.5Å; Q346-L350 PolarHBondContact O-N 3.36Å
347N92.5Very high87.9Confident91 Ų91109 Ų10949%0.48751%0.507SS..Hα-helixtrans-61.8-45175.9-69-11.3000111.7Q343 R344 L349 L350 E351Q343-N347 VanDerWaalsContact O-CG 3.24Å; Q343-N347 PolarHBondContact O-N 3.39Å; Q343-N347 PolarHBondContact O-OD1 3.46Å; R344-N347 PolarHBondContact O-N 2.78Å; N347-L349 VanDerWaalsContact C-N 3.33Å; N347-L349 PolarHBondContact O-N 3.48Å; N347-L350 WeakPolarHBondContact O-CB 3.45Å; N347-L350 PolarHBondContact O-N 3.22Å; N347-E351 PolarHBondContact O-N 2.94Å
348L92.6Very high87.9Confident99 Ų99109.4 Ų109.452%0.51851%0.509SS..Hα-helixtrans-64-36.3176.4-70.2169.5000112.4R344 R345 E351 L352R344-L348 HydrophobicContact CG-CD1 4.47Å; R344-L348 WeakPolarHBondContact O-CG 3.27Å; R344-L348 PolarHBondContact O-N 3.38Å; R345-L348 PolarHBondContact O-N 3.45Å; L348-E351 PolarHBondContact O-N 3.04Å; L348-L352 WeakPolarHBondContact O-CB 3.49Å; L348-L352 PolarHBondContact O-N 2.97Å
349L92.8Very high87.5Confident68 Ų68107.7 Ų107.736%0.35651%0.511SS..Hα-helixtrans-67.8-35174.4-74.6170.2000112.4R345 Q346 N347 R353R345-L349 HydrophobicContact CG-CD1 4.16Å; R345-L349 WeakPolarHBondContact O-CG 3.31Å; R345-L349 PolarHBondContact O-N 3.01Å; Q346-L349 PolarHBondContact O-N 3.2Å; N347-L349 VanDerWaalsContact C-N 3.33Å; N347-L349 PolarHBondContact O-N 3.48Å; L349-R353 WeakPolarHBondContact O-CG 3.33Å; L349-R353 PolarHBondContact O-N 3.42Å; L349-R353 VanDerWaalsContact O-N 3.11Å
350L91.9Very high86.7Confident72 Ų72107.1 Ų107.138%0.37751%0.513SS..Hα-helixtrans-67.8-43.3173-71.5169.7000111.1Q346 N347 L352 R353 N354Q346-L350 WeakPolarHBondContact O-CG 3.5Å; Q346-L350 PolarHBondContact O-N 3.36Å; N347-L350 WeakPolarHBondContact O-CB 3.45Å; N347-L350 PolarHBondContact O-N 3.22Å; L350-L352 VanDerWaalsContact C-N 3.34Å; L350-L352 PolarHBondContact O-N 2.89Å; L350-R353 PolarHBondContact O-N 3.24Å; L350-N354 PolarHBondContact O-N 2.84Å; L350-N354 PolarHBondContact O-OD1 3.22Å
351E90.5Very high85.5Confident85 Ų85107.1 Ų107.140%0.39751%0.513SS..Hα-helixtrans-59.7-43.7175.4-172.4178.1-173.700111.8N347 L348 R353 N354 Y355N347-E351 PolarHBondContact O-N 2.94Å; L348-E351 PolarHBondContact O-N 3.04Å; E351-R353 PolarHBondContact O-N 2.98Å; E351-N354 WeakPolarHBondContact O-CB 3.4Å; E351-N354 PolarHBondContact O-N 3.43Å; E351-Y355 HydrophobicContact CG-CD2 4.23Å; E351-Y355 HydrophobicContact CG-CE2 3.59Å; E351-Y355 WeakPolarHBondContact O-CD2 3.47Å; E351-Y355 PolarHBondContact O-N 3.23Å; E351-Y355 PolarHBondContact OE1-OH 3.43Å
352L89.4Confident83.7Confident87 Ų87106.4 Ų106.446%0.45552%0.522SS..Hα-helixtrans-61.6-43.7175.1-172.8151.6000112L348 L350 N354 Y355 E356L348-L352 WeakPolarHBondContact O-CB 3.49Å; L348-L352 PolarHBondContact O-N 2.97Å; L350-L352 VanDerWaalsContact C-N 3.34Å; L350-L352 PolarHBondContact O-N 2.89Å; L352-N354 VanDerWaalsContact C-N 3.31Å; L352-N354 PolarHBondContact O-N 3.09Å; L352-Y355 PolarHBondContact O-N 3.29Å; L352-E356 HydrophobicContact CD2-CG 4.05Å; L352-E356 VanDerWaalsContact CD2-OE1 3.28Å; L352-E356 WeakPolarHBondContact CD2-OE1 3.41Å; L352-E356 WeakPolarHBondContact O-CG 3.06Å; L352-E356 PolarHBondContact O-N 2.82Å
353R90.3Very high81.8Confident128 Ų128108.2 Ų108.248%0.48353%0.53SS..Hα-helixtrans-60.2-41.5174.5-76.1-174.5-144.5172.34.8111.9L349 L350 E351 Y355 E356 E357L349-R353 WeakPolarHBondContact O-CG 3.33Å; L349-R353 PolarHBondContact O-N 3.42Å; L349-R353 VanDerWaalsContact O-N 3.11Å; L350-R353 PolarHBondContact O-N 3.24Å; E351-R353 PolarHBondContact O-N 2.98Å; R353-Y355 VanDerWaalsContact C-N 3.31Å; R353-Y355 PolarHBondContact O-N 3Å; R353-E356 PolarHBondContact O-N 2.84Å; R353-E357 WeakPolarHBondContact O-CG 3.31Å; R353-E357 PolarHBondContact O-N 3.49Å
354N85.3Confident79.4Confident88 Ų88109.1 Ų109.147%0.47155%0.545SS..Hα-helixtrans-60.6-42.4177.5-65.1-15.2000110.9L350 E351 L352 E357 N358L350-N354 PolarHBondContact O-N 2.84Å; L350-N354 PolarHBondContact O-OD1 3.22Å; E351-N354 WeakPolarHBondContact O-CB 3.4Å; E351-N354 PolarHBondContact O-N 3.43Å; L352-N354 VanDerWaalsContact C-N 3.31Å; L352-N354 PolarHBondContact O-N 3.09Å; N354-E357 PolarHBondContact O-N 3.13Å; N354-N358 WeakPolarHBondContact O-CB 3.48Å; N354-N358 PolarHBondContact O-N 2.94Å; N354-N358 PolarHBondContact O-ND2 2.98Å
355Y82.2Confident77.2Confident148 Ų148104.2 Ų104.258%0.5855%0.549SS*.Hα-helixtrans-65-40.5175.2-66.6-43.6000112.9E351 L352 R353 A359E351-Y355 HydrophobicContact CG-CD2 4.23Å; E351-Y355 HydrophobicContact CG-CE2 3.59Å; E351-Y355 WeakPolarHBondContact O-CD2 3.47Å; E351-Y355 PolarHBondContact O-N 3.23Å; E351-Y355 PolarHBondContact OE1-OH 3.43Å; L352-Y355 PolarHBondContact O-N 3.29Å; R353-Y355 VanDerWaalsContact C-N 3.31Å; R353-Y355 PolarHBondContact O-N 3Å; Y355-A359 WeakPolarHBondContact O-CB 3.37Å; Y355-A359 PolarHBondContact O-N 3.05Å
356E86.1Confident74.9Confident98 Ų98100.3 Ų100.346%0.45855%0.554SS.*Hα-helixtrans-66.4-39.3176.6-72.3-175.1172.900113.1L352 R353 K360L352-E356 HydrophobicContact CD2-CG 4.05Å; L352-E356 VanDerWaalsContact CD2-OE1 3.28Å; L352-E356 WeakPolarHBondContact CD2-OE1 3.41Å; L352-E356 WeakPolarHBondContact O-CG 3.06Å; L352-E356 PolarHBondContact O-N 2.82Å; R353-E356 PolarHBondContact O-N 2.84Å; E356-K360 WeakPolarHBondContact O-CD 3.12Å; E356-K360 VanDerWaalsContact O-CG 3.29Å; E356-K360 WeakPolarHBondContact O-CG 3.4Å; E356-K360 PolarHBondContact O-N 3.45Å
357E81.3Confident72.7Confident110 Ų11099.2 Ų99.251%0.51456%0.557SS.*Hα-helixtrans-67.7-43.7176.3-75.2-176.3178.100111.5R353 N354 A359 K360 Q361R353-E357 WeakPolarHBondContact O-CG 3.31Å; R353-E357 PolarHBondContact O-N 3.49Å; N354-E357 PolarHBondContact O-N 3.13Å; E357-A359 VanDerWaalsContact C-N 3.31Å; E357-A359 PolarHBondContact O-N 3.05Å; E357-K360 PolarHBondContact O-N 2.72Å; E357-K360 VanDerWaalsContact O-N 3.14Å; E357-Q361 PolarHBondContact O-N 3.44Å
358N73.8Confident70.6Confident102 Ų102103.7 Ų103.755%0.54558%0.575SS.*Hα-helixtrans-61.4-38.4175.6-71.1-14.3000112N354 Q361 A362N354-N358 WeakPolarHBondContact O-CB 3.48Å; N354-N358 PolarHBondContact O-N 2.94Å; N354-N358 PolarHBondContact O-ND2 2.98Å; N358-Q361 PolarHBondContact O-N 2.87Å; N358-A362 PolarHBondContact O-N 3.06Å
359A72Confident68.6Low73 Ų73108.4 Ų108.460%0.60359%0.586SS**Hα-helixtrans-67.5-33.1175.900000112.9Y355 E357Y355-A359 WeakPolarHBondContact O-CB 3.37Å; Y355-A359 PolarHBondContact O-N 3.05Å; E357-A359 VanDerWaalsContact C-N 3.31Å; E357-A359 PolarHBondContact O-N 3.05Å
360K68.1Low66.6Low144 Ų144108 Ų10863%0.62658%0.584SS**Hα-helixtrans-74.2-29.6176.4-71.8165.9-172.6162.80112.7E356 E357E356-K360 WeakPolarHBondContact O-CD 3.12Å; E356-K360 VanDerWaalsContact O-CG 3.29Å; E356-K360 WeakPolarHBondContact O-CG 3.4Å; E356-K360 PolarHBondContact O-N 3.45Å; E357-K360 PolarHBondContact O-N 2.72Å; E357-K360 VanDerWaalsContact O-N 3.14Å
361Q59.9Low64.5Low128 Ų128108.7 Ų108.760%0.59859%0.591SS**Hα-helixtrans-84.8-7.6178.7-71.8-178.3-3.100114.2E357 N358 V363E357-Q361 PolarHBondContact O-N 3.44Å; N358-Q361 PolarHBondContact O-N 2.87Å; Q361-V363 PolarHBondContact O-N 2.95Å
362A51.4Low62.6Low84 Ų84111.5 Ų111.569%0.69461%0.605SS**  trans-72.416.417700000114.8N358N358-A362 PolarHBondContact O-N 3.06Å
363V49Very low61.3Low109 Ų109113.1 Ų113.166%0.66161%0.611SS**SBendtrans-89.4135.3173.6-175.80000108.8Q361 G365Q361-V363 PolarHBondContact O-N 2.95Å; V363-G365 PolarHBondContact O-N 3.23Å
364P42.2Very low60.2Low133 Ų133107.3 Ų107.386%0.86459%0.591SS**SBendtrans-71.6115.4-167.1-924.3000111.8
365G44.9Very low59.9Low72 Ų72107.4 Ų107.474%0.74259%0.594SS**  trans166.470.5174.100000112.9V363V363-G365 PolarHBondContact O-N 3.23Å
366A42.5Very low60Low94 Ų94101.6 Ų101.678%0.77757%0.573SS**  trans-67.4132.5-178.700000111.7
367S47.3Very low59.9Low70 Ų7099.9 Ų99.949%0.4957%0.571SS.*  trans-114.2151.9172.7650000109.1R369 D370S367-R369 PolarHBondContact O-N 2.81Å; S367-D370 PolarHBondContact N-OD2 3.01Å; S367-D370 PolarHBondContact O-N 3.04Å
368E48.8Very low59.9Low185 Ų185100 Ų10086%0.86459%0.591SS**THydrogen-bonded Turntrans-55-4.5-177.2-65.4-179.1149.700115.6D370 T371E368-D370 VanDerWaalsContact C-N 3.32Å; E368-T371 PolarHBondContact O-OG1 2.9Å
369R50Low60.5Low198 Ų198100.7 Ų100.775%0.74759%0.594SS**THydrogen-bonded Turntrans-73.6-19.7171.3-69.7-176.8177.1-179.2-0.6113.5S367 T371 Q372S367-R369 PolarHBondContact O-N 2.81Å; R369-T371 VanDerWaalsContact C-N 3.28Å; R369-T371 PolarHBondContact O-N 2.78Å; R369-Q372 PolarHBondContact O-N 2.99Å
370D51.7Low61.3Low60 Ų6097.5 Ų97.532%0.32157%0.568SS.*THydrogen-bonded Turntrans-67.3-28.1-178.6-67.9-27.4000112.6S367 E368S367-D370 PolarHBondContact N-OD2 3.01Å; S367-D370 PolarHBondContact O-N 3.04Å; E368-D370 VanDerWaalsContact C-N 3.32Å
371T48.3Very low62.3Low86 Ų8696.9 Ų96.953%0.52857%0.567SS.*THydrogen-bonded Turntrans-76.1-22.3-178.8-4.70000114E368 R369E368-T371 PolarHBondContact O-OG1 2.9Å; R369-T371 VanDerWaalsContact C-N 3.28Å; R369-T371 PolarHBondContact O-N 2.78Å
372Q50.8Low63.7Low145 Ų14591.9 Ų91.968%0.67854%0.544SS*.THydrogen-bonded Turntrans-88.2-26.2174.6-91.2-178-8.800112.9R369 G374 S466R369-Q372 PolarHBondContact O-N 2.99Å; Q372-G374 VanDerWaalsContact C-N 3.29Å; Q372-G374 PolarHBondContact O-N 3.07Å; Q372-S466 PolarHBondContact O-OG 2.91Å
373M60.6Low65.7Low121 Ų12192.9 Ų92.960%0.59653%0.534SS*.THydrogen-bonded Turntrans-84.24.1-178.3-72.6-73.7-68.400113.8V375M373-V375 VanDerWaalsContact C-N 3.3Å; M373-V375 HydrophobicContact CB-CG2 4.33Å; M373-V375 PolarHBondContact O-N 3.04Å
374G68.1Low67.7Low5 Ų588.4 Ų88.45%0.05251%0.507CS..THydrogen-bonded Turntrans70.919.2173.600000115.5Q372 I376 S465 H469Q372-G374 VanDerWaalsContact C-N 3.29Å; Q372-G374 PolarHBondContact O-N 3.07Å; G374-I376 PolarHBondContact O-N 3.01Å; G374-S465 WeakPolarHBondContact CA-OG 3.29Å; G374-H469 PolarHBondContact O-CD2 3.2Å; G374-H469 PolarHBondContact O-NE2 3.38Å
375V79.3Confident70.1Confident90 Ų9086.3 Ų86.355%0.54549%0.492SS..  trans-64.8126.9178.1-175.60000109.9M373M373-V375 VanDerWaalsContact C-N 3.3Å; M373-V375 HydrophobicContact CB-CG2 4.33Å; M373-V375 PolarHBondContact O-N 3.04Å
376I83.4Confident72.4Confident26 Ų2684.7 Ų84.713%0.13347%0.466CS..  trans-113.8155.317563.9173.4000111G374 A378 T380 T409 H469 F471G374-I376 PolarHBondContact O-N 3.01Å; I376-A378 PolarHBondContact O-N 3.44Å; I376-T380 HydrophobicContact CD1-CG2 4.5Å; I376-T409 HydrophobicContact CB-CG2 4.3Å; I376-T409 HydrophobicContact CG2-CG2 4.16Å; I376-H469 HydrophobicContact CD1-CB 3.76Å; I376-F471 HydrophobicContact CD1-CE2 3.59Å; I376-F471 HydrophobicContact CD1-CZ 3.71Å
377P84.1Confident74.6Confident62 Ų6280.9 Ų80.940%0.40343%0.434SS..  trans-56.8134171.4-24.534.9000111.8N379 T380P377-N379 VanDerWaalsContact CB-OD1 3.25Å; P377-N379 WeakPolarHBondContact CB-OD1 3.48Å; P377-N379 PolarHBondContact O-N 2.84Å; P377-N379 VanDerWaalsContact O-N 3.12Å; P377-T380 VanDerWaalsContact O-CB 3.31Å; P377-T380 WeakPolarHBondContact O-CB 3.47Å; P377-T380 PolarHBondContact O-N 2.9Å; P377-T380 PolarHBondContact O-OG1 3.44Å
378A82.3Confident76.5Confident114 Ų11478.6 Ų78.694%0.94242%0.417SS*.THydrogen-bonded Turntrans-63.5-20.2-177.300000113.9I376 T380I376-A378 PolarHBondContact O-N 3.44Å; A378-T380 VanDerWaalsContact C-N 3.31Å
379N85.7Confident78.3Confident115 Ų11575.6 Ų75.662%0.61540%0.397SS*.THydrogen-bonded Turntrans-88.79.2175.469-26.4000113.6P377 Q381P377-N379 VanDerWaalsContact CB-OD1 3.25Å; P377-N379 WeakPolarHBondContact CB-OD1 3.48Å; P377-N379 PolarHBondContact O-N 2.84Å; P377-N379 VanDerWaalsContact O-N 3.12Å; N379-Q381 PolarHBondContact O-N 3.37Å
380T88Confident79.8Confident7 Ų769.2 Ų69.24%0.04339%0.387CS..  trans-64.7122174.4-51.50000109.2I376 P377 A378 T405 N407 T409 V460 F471I376-T380 HydrophobicContact CD1-CG2 4.5Å; P377-T380 VanDerWaalsContact O-CB 3.31Å; P377-T380 WeakPolarHBondContact O-CB 3.47Å; P377-T380 PolarHBondContact O-N 2.9Å; P377-T380 PolarHBondContact O-OG1 3.44Å; A378-T380 VanDerWaalsContact C-N 3.31Å; T380-T405 HydrophobicContact CG2-CG2 4.32Å; T380-N407 PolarHBondContact OG1-ND2 3.35Å; T380-T409 HydrophobicContact CG2-CG2 4.32Å; T380-V460 HydrophobicContact CG2-CG1 4.02Å; T380-F471 HydrophobicContact CG2-CZ 4.23Å; T380-F471 WeakPolarHBondContact O-CE1 3.14Å
381Q89.1Confident81.1Confident131 Ų13169.4 Ų69.461%0.61240%0.397SS*.  trans-126.1151.3175.6-66.6-178.3-2.700109.3N379 P406N379-Q381 PolarHBondContact O-N 3.37Å; Q381-P406 WeakPolarHBondContact O-CD 3.33Å
382L90.6Very high82.5Confident23 Ų2369.2 Ų69.212%0.1240%0.396CS..  trans-91.2117.9173.6-153.590.6000108.8T384 I403 T405 A458 V460 F471 I473L382-T384 HydrophobicContact CD2-CG2 3.87Å; L382-T384 HydrophobicContact CG-CG2 4.45Å; L382-I403 HydrophobicContact CD1-CG2 3.7Å; L382-I403 HydrophobicContact CD2-CG2 3.55Å; L382-I403 HydrophobicContact CG-CG2 3.6Å; L382-T405 HydrophobicContact CD1-CG2 4.48Å; L382-A458 HydrophobicContact CD1-CB 3.57Å; L382-A458 HydrophobicContact CD2-CB 4.06Å; L382-A458 HydrophobicContact CG-CB 4.48Å; L382-V460 HydrophobicContact CD1-CG2 4.1Å; L382-F471 HydrophobicContact CD1-CB 4.43Å; L382-I473 HydrophobicContact CD2-CB 4.45Å; L382-I473 HydrophobicContact CD2-CG2 3.58Å
383Q92.3Very high83.5Confident104 Ų10472.5 Ų72.549%0.48641%0.411SS..EExtended strand (participates in β ladder)trans-95.3137170.2-67.2-177.8-11.300108.7I403 S404Q383-I403 CarbonylContact O-C 3.54Å; Q383-I403 WeakPolarHBondContact O-CA 3.38Å; Q383-S404 PolarHBondContact N-O 3.49Å; Q383-S404 PolarHBondContact O-N 2.88Å
384T92.6Very high84Confident16 Ų1671.8 Ų71.810%0.09842%0.418CS..EExtended strand (participates in β ladder)trans-135.9130.1-179.559.40000109.7L382 S402 I403 I473 R475L382-T384 HydrophobicContact CD2-CG2 3.87Å; L382-T384 HydrophobicContact CG-CG2 4.45Å; T384-S402 CarbonylContact C-O 3.58Å; T384-S402 WeakPolarHBondContact CA-O 3.14Å; T384-I403 HydrophobicContact CG2-CG1 4.17Å; T384-I403 HydrophobicContact CG2-CG2 4.29Å; T384-I473 HydrophobicContact CG2-CD1 4.13Å; T384-I473 HydrophobicContact CG2-CG2 4.21Å; T384-R475 PolarHBondContact OG1-NE 2.89Å; T384-R475 PolarHBondContact OG1-NH2 3.01Å
385V92.6Very high84.5Confident88 Ų8876.2 Ų76.253%0.53344%0.437SS..EExtended strand (participates in β ladder)trans-126.6134.9178.3-178.80000108.3S402V385-S402 PolarHBondContact N-O 2.99Å; V385-S402 PolarHBondContact O-N 2.75Å
386L91.9Very high84.7Confident38 Ų3882.1 Ų82.120%0.19945%0.45CS..EExtended strand (participates in β ladder)trans-105.3131.3172.1-71163.4000108.3I399 E400 L401 L477 L518L386-I399 HydrophobicContact CD2-CG2 3.99Å; L386-E400 WeakPolarHBondContact CA-O 3.38Å; L386-L401 HydrophobicContact CD2-CB 3.9Å; L386-L401 HydrophobicContact CD2-CD1 3.69Å; L386-L401 HydrophobicContact CD2-CG 4.34Å; L386-L401 HydrophobicContact CG-CD1 4.14Å; L386-L477 HydrophobicContact CD1-CD2 3.84Å; L386-L477 HydrophobicContact CD2-CD2 3.85Å; L386-L477 HydrophobicContact CG-CD2 4.46Å; L386-L518 HydrophobicContact CB-CD1 3.91Å; L386-L518 HydrophobicContact CB-CD2 4.46Å; L386-L518 HydrophobicContact CD1-CD1 4.29Å
387S88.9Confident84.8Confident15 Ų1581.9 Ų81.911%0.10545%0.451CS..EExtended strand (participates in β ladder)trans-142.7155.6176.3610000110.8I399 E400S387-I399 CarbonylContact O-C 3.52Å; S387-I399 WeakPolarHBondContact O-CA 3.48Å; S387-E400 PolarHBondContact N-O 2.93Å; S387-E400 PolarHBondContact O-N 2.78Å
388V88.2Confident85.1Confident21 Ų2179.6 Ų79.613%0.12744%0.435CS..EExtended strand (participates in β ladder)trans-88.7135.2174.51750000109.7D484 L518 L533V388-D484 HydrophobicContact CG1-CB 3.79Å; V388-L518 HydrophobicContact CG2-CD2 3.77Å; V388-L533 HydrophobicContact CG1-CD1 3.36Å; V388-L533 HydrophobicContact CG1-CD2 3.89Å; V388-L533 HydrophobicContact CG1-CG 4.16Å; V388-L533 HydrophobicContact CG2-CD1 4.49Å
389R86.6Confident85.6Confident122 Ų12274.2 Ų74.246%0.4639%0.39SS..EExtended strand (participates in β ladder)trans-121.6126.8175-63.6-61.1-171.9-175.70.7110.6S397 H398 E400R389-S397 VanDerWaalsContact O-CA 3.3Å; R389-S397 WeakPolarHBondContact O-CA 3.42Å; R389-H398 PolarHBondContact N-O 2.88Å; R389-H398 PolarHBondContact O-N 3.26Å; R389-E400 HydrophobicContact CG-CB 3.65Å; R389-E400 IonicContact CZ-OE2 3.8Å; R389-E400 IonicContact NE-OE2 2.76Å; R389-E400 PolarHBondContact NE-OE2 2.84Å; R389-E400 IonicContact NH2-OE2 3.69Å; R389-E400 PolarHBondContact NH2-OE2 3.29Å
390A80.2Confident85.9Confident65 Ų6570.2 Ų70.254%0.53737%0.367SS..  trans-67.7159.7171.400000111.5
391A79.8Confident86.2Confident63 Ų6369.9 Ų69.952%0.52137%0.365SS..  trans-60.6143.6178.200000111.7Q395 S397A391-Q395 WeakPolarHBondContact CA-O 3.1Å; A391-S397 WeakPolarHBondContact CB-OG 3.39Å; A391-S397 PolarHBondContact N-OG 3.49Å
392T77.9Confident86.5Confident82 Ų8264.9 Ų64.950%0.50335%0.345SS..  trans-121.8169.8170.358.40000108.9S394 Q395T392-S394 PolarHBondContact O-N 3.01Å; T392-Q395 PolarHBondContact N-O 3.49Å; T392-Q395 PolarHBondContact O-N 3.49Å; T392-Q395 PolarHBondContact OG1-N 3.32Å
393E71.8Confident86.6Confident215 Ų21563.8 Ų63.8100%1.00534%0.339SS*.SBendtrans-56.3-25.7178.9-68.1-176.1168.500113.6
394S71.4Confident86.7Confident105 Ų10560.1 Ų60.173%0.73433%0.325SS*.SBendtrans-102.2-19.2-176.558.80000114.4T392T392-S394 PolarHBondContact O-N 3.01Å
395Q78.3Confident86.7Confident99 Ų9960 Ų6046%0.46333%0.325SS..SBendtrans-143.6139-173.8-75.3-176.9-30.100112.1A391 T392A391-Q395 WeakPolarHBondContact CA-O 3.1Å; T392-Q395 PolarHBondContact N-O 3.49Å; T392-Q395 PolarHBondContact O-N 3.49Å; T392-Q395 PolarHBondContact OG1-N 3.32Å
396R83.4Confident86.5Confident213 Ų21359.5 Ų59.580%0.80432%0.323SS*.  trans-65.6158.8171.4-63.6-176.8-179.2178.3-0.3110.8H398R396-H398 PolarHBondContact O-N 3.42Å; R396-H398 PolarHBondContact O-ND1 2.86Å
397S86.1Confident86.2Confident22 Ų2259.5 Ų59.515%0.15432%0.323CS..SBendtrans-52.7134.7169.7-59.70000110.7R389 A391R389-S397 VanDerWaalsContact O-CA 3.3Å; R389-S397 WeakPolarHBondContact O-CA 3.42Å; A391-S397 WeakPolarHBondContact CB-OG 3.39Å; A391-S397 PolarHBondContact N-OG 3.49Å
398H90.6Very high86Confident14 Ų1468.3 Ų68.37%0.06536%0.362CS..EExtended strand (participates in β ladder)trans-155.3165.5-174.161.9-89.4000111.7R389 R396 P443 I445R389-H398 PolarHBondContact N-O 2.88Å; R389-H398 PolarHBondContact O-N 3.26Å; R396-H398 PolarHBondContact O-N 3.42Å; R396-H398 PolarHBondContact O-ND1 2.86Å; H398-P443 HydrophobicContact CB-CB 4.15Å; H398-P443 WeakPolarHBondContact CD2-CB 3.03Å; H398-I445 HydrophobicContact CB-CD1 4.18Å; H398-I445 HydrophobicContact CB-CG1 3.72Å
399I91.9Very high86.1Confident0 Ų067.8 Ų67.80%036%0.359CS..EExtended strand (participates in β ladder)trans-87120.3166.8-59.4158.2000107.3L386 S387 I444 P446 L477 S481 M482L386-I399 HydrophobicContact CD2-CG2 3.99Å; S387-I399 CarbonylContact O-C 3.52Å; S387-I399 WeakPolarHBondContact O-CA 3.48Å; I399-I444 HydrophobicContact CB-CB 4.45Å; I399-I444 PolarHBondContact N-O 3.32Å; I399-I444 PolarHBondContact O-N 2.87Å; I399-P446 HydrophobicContact CD1-CG 3.92Å; I399-L477 HydrophobicContact CD1-CD2 4.4Å; I399-L477 HydrophobicContact CG2-CD2 4.19Å; I399-S481 WeakPolarHBondContact CD1-OG 3.27Å; I399-M482 HydrophobicContact CD1-CG 4.24Å; I399-M482 HydrophobicContact CD1-SD 3.66Å; I399-M482 HydrophobicContact CG1-SD 3.76Å
400E92.8Very high86.3Confident31 Ų3162.2 Ų62.215%0.14534%0.339CS..EExtended strand (participates in β ladder)trans-89116.9175.4-176.4178.6-129.400109.6L386 S387 R389 C441L386-E400 WeakPolarHBondContact CA-O 3.38Å; S387-E400 PolarHBondContact N-O 2.93Å; S387-E400 PolarHBondContact O-N 2.78Å; R389-E400 HydrophobicContact CG-CB 3.65Å; R389-E400 IonicContact CZ-OE2 3.8Å; R389-E400 IonicContact NE-OE2 2.76Å; R389-E400 PolarHBondContact NE-OE2 2.84Å; R389-E400 IonicContact NH2-OE2 3.69Å; R389-E400 PolarHBondContact NH2-OE2 3.29Å; E400-C441 HydrophobicContact CG-CB 3.89Å; E400-C441 VanDerWaalsContact OE1-CB 3.24Å; E400-C441 WeakPolarHBondContact OE1-CB 3.36Å; E400-C441 PolarHBondContact OE1-SG 3.39Å
401L94.1Very high86.9Confident0 Ų059.1 Ų59.10%031%0.313CS..EExtended strand (participates in β ladder)trans-92.8105.4166.4173.365000108.7L386 I403 I416 C441 V442 I444 L454 I456L386-L401 HydrophobicContact CD2-CB 3.9Å; L386-L401 HydrophobicContact CD2-CD1 3.69Å; L386-L401 HydrophobicContact CD2-CG 4.34Å; L386-L401 HydrophobicContact CG-CD1 4.14Å; L401-I403 HydrophobicContact CD1-CG1 4.34Å; L401-I403 HydrophobicContact CD2-CD1 4.03Å; L401-I403 HydrophobicContact CD2-CG1 4.27Å; L401-I403 HydrophobicContact CG-CD1 4.22Å; L401-I403 HydrophobicContact CG-CG1 3.95Å; L401-I416 HydrophobicContact CD2-CD1 3.76Å; L401-C441 CarbonylContact O-C 3.54Å; L401-C441 WeakPolarHBondContact O-CA 3.28Å; L401-V442 PolarHBondContact N-O 2.87Å; L401-V442 PolarHBondContact O-N 2.84Å; L401-I444 HydrophobicContact CB-CD1 3.8Å; L401-I444 HydrophobicContact CB-CG1 4.49Å; L401-I444 HydrophobicContact CD2-CD1 4.04Å; L401-L454 HydrophobicContact CD2-CD1 4.37Å; L401-I456 HydrophobicContact CD1-CD1 4.27Å; L401-I456 HydrophobicContact CD2-CD1 3.66Å; L401-I456 HydrophobicContact CD2-CG1 4.2Å
402S93.8Very high87.5Confident27 Ų2759.1 Ų59.119%0.18930%0.3CS..EExtended strand (participates in β ladder)trans-90.4125.7172.4-169.60000109.9T384 V385T384-S402 CarbonylContact C-O 3.58Å; T384-S402 WeakPolarHBondContact CA-O 3.14Å; V385-S402 PolarHBondContact N-O 2.99Å; V385-S402 PolarHBondContact O-N 2.75Å
403I94.6Very high88.3Confident0 Ų055.5 Ų55.50%028%0.278CS..EExtended strand (participates in β ladder)trans-120.4119.9179.2-56.4168.4000107.4L382 Q383 T384 L401 I411 V414 S439 I440 I456L382-I403 HydrophobicContact CD1-CG2 3.7Å; L382-I403 HydrophobicContact CD2-CG2 3.55Å; L382-I403 HydrophobicContact CG-CG2 3.6Å; Q383-I403 CarbonylContact O-C 3.54Å; Q383-I403 WeakPolarHBondContact O-CA 3.38Å; T384-I403 HydrophobicContact CG2-CG1 4.17Å; T384-I403 HydrophobicContact CG2-CG2 4.29Å; L401-I403 HydrophobicContact CD1-CG1 4.34Å; L401-I403 HydrophobicContact CD2-CD1 4.03Å; L401-I403 HydrophobicContact CD2-CG1 4.27Å; L401-I403 HydrophobicContact CG-CD1 4.22Å; L401-I403 HydrophobicContact CG-CG1 3.95Å; I403-I411 HydrophobicContact CB-CD1 4.4Å; I403-I411 HydrophobicContact CG2-CD1 3.91Å; I403-I411 WeakPolarHBondContact O-CD1 3.24Å; I403-V414 HydrophobicContact CD1-CB 4.38Å; I403-V414 HydrophobicContact CD1-CG1 3.53Å; I403-V414 HydrophobicContact CD1-CG2 4.03Å; I403-S439 CarbonylContact O-C 3.4Å; I403-S439 VanDerWaalsContact O-CA 3.24Å; I403-S439 WeakPolarHBondContact O-CA 3.34Å; I403-I440 PolarHBondContact N-O 3.09Å; I403-I440 PolarHBondContact O-N 2.76Å; I403-I456 HydrophobicContact CD1-CG2 3.78Å
404S94.3Very high89.4Confident26 Ų2645.2 Ų45.218%0.18223%0.23CC..EExtended strand (participates in β ladder)trans-134.6155.4-17763.30000113.7Q383 G438Q383-S404 PolarHBondContact N-O 3.49Å; Q383-S404 PolarHBondContact O-N 2.88Å; S404-G438 CarbonylContact C-O 3.51Å; S404-G438 WeakPolarHBondContact CA-O 3.41Å
405T92.3Very high90.6Very high15 Ų1542 Ų429%0.09220%0.204CC..  trans-108.4142.5170.153.30000109.7T380 L382 N407 T409 I411 G438 V460T380-T405 HydrophobicContact CG2-CG2 4.32Å; L382-T405 HydrophobicContact CD1-CG2 4.48Å; T405-N407 VanDerWaalsContact C-N 3.29Å; T405-N407 PolarHBondContact O-N 3.24Å; T405-T409 WeakPolarHBondContact CB-OG1 3.45Å; T405-T409 PolarHBondContact OG1-O 3.22Å; T405-T409 VanDerWaalsContact OG1-O 3.05Å; T405-T409 PolarHBondContact OG1-OG1 2.87Å; T405-I411 HydrophobicContact CG2-CD1 4.43Å; T405-I411 HydrophobicContact CG2-CG1 4.11Å; T405-G438 PolarHBondContact N-O 3.39Å; T405-G438 PolarHBondContact OG1-O 3.28Å; T405-V460 HydrophobicContact CG2-CG1 3.92Å; T405-V460 HydrophobicContact CG2-CG2 4.17Å
406P87.6Confident91.4Very high76 Ų7637.3 Ų37.349%0.49418%0.182SC..SBendtrans-81-6.4-175.132.1-37.3000113.8Q381Q381-P406 WeakPolarHBondContact O-CD 3.33Å
407N86.6Confident91.8Very high38 Ų3830.2 Ų30.220%0.20316%0.157CC..SBendtrans-125.4-176.7-174.260.916.3000111.1T380 T405 T409T380-N407 PolarHBondContact OG1-ND2 3.35Å; T405-N407 VanDerWaalsContact C-N 3.29Å; T405-N407 PolarHBondContact O-N 3.24Å; N407-T409 PolarHBondContact O-N 3.32Å; N407-T409 WeakPolarHBondContact OD1-CB 3.08Å; N407-T409 VanDerWaalsContact OD1-CG2 3.25Å; N407-T409 WeakPolarHBondContact OD1-CG2 3.49Å; N407-T409 PolarHBondContact OD1-N 3.26Å; N407-T409 PolarHBondContact OD1-OG1 3.06Å
408E84Confident91.9Very high200 Ų20029.2 Ų29.294%0.93515%0.151SC*.SBendtrans-69.88.7-176.3-59.7-170.916900115
409T89.6Confident91.3Very high10 Ų1031.8 Ų31.86%0.06116%0.163CC..  trans-71.5150.2174.561.50000111I376 T380 T405 N407 G438 V460I376-T409 HydrophobicContact CB-CG2 4.3Å; I376-T409 HydrophobicContact CG2-CG2 4.16Å; T380-T409 HydrophobicContact CG2-CG2 4.32Å; T405-T409 WeakPolarHBondContact CB-OG1 3.45Å; T405-T409 PolarHBondContact OG1-O 3.22Å; T405-T409 VanDerWaalsContact OG1-O 3.05Å; T405-T409 PolarHBondContact OG1-OG1 2.87Å; N407-T409 PolarHBondContact O-N 3.32Å; N407-T409 WeakPolarHBondContact OD1-CB 3.08Å; N407-T409 VanDerWaalsContact OD1-CG2 3.25Å; N407-T409 WeakPolarHBondContact OD1-CG2 3.49Å; N407-T409 PolarHBondContact OD1-N 3.26Å; N407-T409 PolarHBondContact OD1-OG1 3.06Å; T409-G438 WeakPolarHBondContact O-CA 3.37Å; T409-V460 HydrophobicContact CG2-CG1 4.3Å; T409-V460 WeakPolarHBondContact OG1-CG1 3.44Å
410I91.8Very high90.5Very high5 Ų533.8 Ų33.83%0.02618%0.184CC..EExtended strand (participates in β ladder)trans-102.9155.7174.759139000110.9L436 V460 G461 K463 F468I410-L436 HydrophobicContact CD1-CB 4.22Å; I410-L436 HydrophobicContact CD1-CD1 3.95Å; I410-L436 HydrophobicContact CD1-CD2 3.92Å; I410-L436 HydrophobicContact CD1-CG 4.25Å; I410-V460 WeakPolarHBondContact O-CA 3.36Å; I410-G461 WeakPolarHBondContact CG1-O 3.43Å; I410-G461 PolarHBondContact N-O 2.73Å; I410-G461 PolarHBondContact O-N 2.91Å; I410-G461 VanDerWaalsContact O-N 3.09Å; I410-K463 HydrophobicContact CD1-CG 4.38Å; I410-K463 HydrophobicContact CG1-CG 4.33Å; I410-K463 HydrophobicContact CG2-CD 4.46Å; I410-K463 HydrophobicContact CG2-CG 3.68Å; I410-F468 HydrophobicContact CD1-CE1 4.47Å
411I93.3Very high90.2Very high0 Ų033.3 Ų33.30%018%0.182CC..EExtended strand (participates in β ladder)trans-97.8112.9167.5-52.9174.1000107.5I403 T405 V414 C437 I440 A458 F459I403-I411 HydrophobicContact CB-CD1 4.4Å; I403-I411 HydrophobicContact CG2-CD1 3.91Å; I403-I411 WeakPolarHBondContact O-CD1 3.24Å; T405-I411 HydrophobicContact CG2-CD1 4.43Å; T405-I411 HydrophobicContact CG2-CG1 4.11Å; I411-V414 HydrophobicContact CG2-CG2 3.6Å; I411-C437 PolarHBondContact N-O 3.39Å; I411-I440 HydrophobicContact CB-CD1 3.71Å; I411-I440 HydrophobicContact CB-CG1 4.15Å; I411-I440 HydrophobicContact CG2-CD1 3.5Å; I411-I440 HydrophobicContact CG2-CG1 4.32Å; I411-A458 HydrophobicContact CG2-CB 4.49Å; I411-F459 CarbonylContact C-O 3.57Å; I411-F459 WeakPolarHBondContact CA-O 3.28Å
412R92.3Very high89.9Confident64 Ų6434.9 Ų34.924%0.24219%0.189CC..EExtended strand (participates in β ladder)trans-78.9-39.4-177.6179.160.1-176.4130.2-6.6112.5H430 P431 F459 F468R412-H430 VanDerWaalsContact CZ-NE2 3.25Å; R412-H430 PolarHBondContact NH1-NE2 3.5Å; R412-H430 PolarHBondContact NH2-CE1 3.23Å; R412-H430 PolarHBondContact NH2-NE2 2.95Å; R412-H430 PolarHBondContact O-CD2 2.87Å; R412-P431 PolarHBondContact NH1-O 3.34Å; R412-F459 HydrophobicContact CB-CB 4.28Å; R412-F459 PolarHBondContact N-O 3.15Å; R412-F468 HydrophobicContact CB-CD1 3.83Å; R412-F468 HydrophobicContact CB-CE1 3.66Å; R412-F468 HydrophobicContact CB-CG 4.34Å; R412-F468 HydrophobicContact CB-CZ 4.02Å; R412-F468 HydrophobicContact CG-CD1 4.38Å; R412-F468 HydrophobicContact CG-CD2 4.43Å; R412-F468 HydrophobicContact CG-CE1 3.96Å; R412-F468 HydrophobicContact CG-CE2 4.02Å; R412-F468 HydrophobicContact CG-CZ 3.76Å
413A94.2Very high89.2Confident5 Ų543.3 Ų43.34%0.04123%0.225CC..EExtended strand (participates in β ladder)trans-157.2154.2-178.600000109.6V429 F459A413-V429 CarbonylContact C-O 3.55Å; A413-V429 WeakPolarHBondContact CA-O 3.18Å; A413-F459 HydrophobicContact CB-CB 4.27Å; A413-F459 HydrophobicContact CB-CD2 3.68Å; A413-F459 HydrophobicContact CB-CE2 4.31Å; A413-F459 HydrophobicContact CB-CG 4.17Å; A413-F459 PolarHBondContact O-N 2.68Å
414V95.3Very high88.6Confident0 Ų046 Ų460%025%0.253CS..EExtended strand (participates in β ladder)trans-130.2127.1169.8-179.20000108.1I403 I411 I416 V428 V429 I440 I456 A458I403-V414 HydrophobicContact CD1-CB 4.38Å; I403-V414 HydrophobicContact CD1-CG1 3.53Å; I403-V414 HydrophobicContact CD1-CG2 4.03Å; I411-V414 HydrophobicContact CG2-CG2 3.6Å; V414-I416 HydrophobicContact CG1-CD1 4.42Å; V414-I416 HydrophobicContact CG1-CG1 3.81Å; V414-V428 WeakPolarHBondContact O-CA 3.49Å; V414-V429 PolarHBondContact N-O 3.42Å; V414-V429 PolarHBondContact O-N 2.81Å; V414-I440 HydrophobicContact CG2-CD1 4.03Å; V414-I456 HydrophobicContact CG1-CG2 3.76Å; V414-A458 HydrophobicContact CG2-CB 4.37Å
415L95.4Very high88.1Confident37 Ų3749.6 Ų49.619%0.19427%0.267CS..EExtended strand (participates in β ladder)trans-106.5125166.7-6492.4000108.3F417 V428 K457 F459L415-F417 HydrophobicContact CB-CE2 3.97Å; L415-F417 HydrophobicContact CD2-CE2 4.49Å; L415-F417 HydrophobicContact CD2-CZ 4.34Å; L415-V428 HydrophobicContact CD2-CG2 3.87Å; L415-V428 HydrophobicContact CG-CG1 4.18Å; L415-V428 HydrophobicContact CG-CG2 3.88Å; L415-K457 HydrophobicContact CB-CB 4.38Å; L415-K457 PolarHBondContact N-O 3.29Å; L415-K457 PolarHBondContact O-N 2.89Å; L415-F459 HydrophobicContact CD1-CD1 4.5Å; L415-F459 HydrophobicContact CD1-CE1 3.74Å; L415-F459 HydrophobicContact CD1-CE2 3.83Å; L415-F459 HydrophobicContact CD1-CZ 3.36Å
416I94.8Very high88Confident0 Ų050.8 Ų50.80%028%0.276CS..EExtended strand (participates in β ladder)trans-112117.6175.8-50.6177000107.3L401 V414 F422 S426 H427 V442 L454 I456L401-I416 HydrophobicContact CD2-CD1 3.76Å; V414-I416 HydrophobicContact CG1-CD1 4.42Å; V414-I416 HydrophobicContact CG1-CG1 3.81Å; I416-F422 HydrophobicContact CB-CE2 4.04Å; I416-F422 HydrophobicContact CB-CZ 4.16Å; I416-F422 HydrophobicContact CG2-CE2 3.81Å; I416-F422 HydrophobicContact CG2-CZ 3.94Å; I416-S426 CarbonylContact O-C 3.59Å; I416-S426 WeakPolarHBondContact O-CA 3.38Å; I416-S426 WeakPolarHBondContact O-CB 3.07Å; I416-H427 PolarHBondContact N-O 2.98Å; I416-H427 PolarHBondContact O-N 2.91Å; I416-V442 HydrophobicContact CD1-CB 4.06Å; I416-V442 HydrophobicContact CD1-CG1 3.75Å; I416-V442 HydrophobicContact CD1-CG2 4.13Å; I416-L454 HydrophobicContact CG2-CB 4.13Å; I416-L454 HydrophobicContact CG2-CD2 4.27Å; I416-I456 HydrophobicContact CG1-CG1 4.38Å; I416-I456 HydrophobicContact CG2-CG1 4.26Å
417F92.6Very high88.3Confident64 Ų6450.5 Ų50.528%0.28127%0.268SS..EExtended strand (participates in β ladder)trans-96.2121.9170.7-63.1-92.1000108.5L415 E425 H455 K457L415-F417 HydrophobicContact CB-CE2 3.97Å; L415-F417 HydrophobicContact CD2-CE2 4.49Å; L415-F417 HydrophobicContact CD2-CZ 4.34Å; F417-E425 WeakPolarHBondContact CA-O 3.45Å; F417-H455 HydrophobicContact CB-CB 4.23Å; F417-H455 PolarHBondContact N-O 3.13Å; F417-H455 PolarHBondContact O-N 2.91Å; F417-K457 HydrophobicContact CD2-CG 4.49Å; F417-K457 HydrophobicContact CE2-CD 4.07Å; F417-K457 HydrophobicContact CE2-CG 4.28Å
418A88.8Confident88.6Confident2 Ų252.4 Ų52.42%0.01728%0.28CS..  trans-150.1136.3174.900000108I421 F422 E425 V452 L454A418-I421 HydrophobicContact CB-CB 4.44Å; A418-I421 HydrophobicContact CB-CD1 4.31Å; A418-F422 HydrophobicContact CB-CD2 3.97Å; A418-F422 HydrophobicContact CB-CE2 3.58Å; A418-F422 HydrophobicContact CB-CZ 4.44Å; A418-E425 PolarHBondContact N-O 3.44Å; A418-V452 HydrophobicContact CB-CG1 4.11Å; A418-L454 HydrophobicContact CB-CD2 3.51Å
419E77.9Confident89.1Confident67 Ų6744.2 Ų44.231%0.31324%0.244SC..THydrogen-bonded Turntrans-88.1135.8-178.7-59.8179.2132.400109.8N203 R237 I421N203-E419 HydrophobicContact CB-CB 4.1Å; N203-E419 VanDerWaalsContact ND2-CB 3.29Å; N203-E419 WeakPolarHBondContact ND2-CB 3.25Å; N203-E419 PolarHBondContact ND2-OE2 2.91Å; R237-E419 IonicContact CZ-OE1 3.76Å; R237-E419 IonicContact CZ-OE2 3.39Å; R237-E419 VanDerWaalsContact NH1-CD 3.27Å; R237-E419 IonicContact NH1-OE1 3.59Å; R237-E419 PolarHBondContact NH1-OE1 3.26Å; R237-E419 IonicContact NH1-OE2 3.14Å; R237-E419 PolarHBondContact NH1-OE2 3.44Å; R237-E419 IonicContact NH2-OE1 3.76Å; R237-E419 PolarHBondContact NH2-OE1 3.41Å; R237-E419 IonicContact NH2-OE2 2.8Å; R237-E419 PolarHBondContact NH2-OE2 2.62Å; E419-I421 VanDerWaalsContact C-N 3.26Å; E419-I421 PolarHBondContact O-N 2.85Å
420G75.7Confident89.3Confident43 Ų4349.1 Ų49.144%0.44327%0.266SS..THydrogen-bonded Turntrans76-3.8174.200000116.7P447G420-P447 VanDerWaalsContact O-CG 3.24Å; G420-P447 WeakPolarHBondContact O-CG 3.42Å
421I85.9Confident89.3Confident21 Ų2149.9 Ų49.911%0.10827%0.271CS..THydrogen-bonded Turntrans-97.8-37.5177.8-62.2-178.9000112.7A418 E419 I444 P446 V452 L454 L477A418-I421 HydrophobicContact CB-CB 4.44Å; A418-I421 HydrophobicContact CB-CD1 4.31Å; E419-I421 VanDerWaalsContact C-N 3.26Å; E419-I421 PolarHBondContact O-N 2.85Å; I421-I444 HydrophobicContact CG2-CG2 3.71Å; I421-P446 HydrophobicContact CD1-CB 4.32Å; I421-P446 HydrophobicContact CD1-CG 4.19Å; I421-P446 HydrophobicContact CG1-CB 4.33Å; I421-V452 HydrophobicContact CD1-CB 3.62Å; I421-V452 HydrophobicContact CD1-CG1 3.44Å; I421-V452 VanDerWaalsContact CD1-CG1 3.44Å; I421-V452 HydrophobicContact CD1-CG2 3.76Å; I421-V452 HydrophobicContact CG1-CB 4.41Å; I421-V452 HydrophobicContact CG1-CG1 4.07Å; I421-V452 HydrophobicContact CG1-CG2 4.1Å; I421-L454 HydrophobicContact CD1-CD2 4.13Å; I421-L477 HydrophobicContact CD1-CD1 3.93Å
422F86.4Confident89.1Confident33 Ų3352.7 Ų52.715%0.14529%0.291CS..SBendtrans-102.9160-174.6-55.7-55.2000111.9I416 A418 G424 H427I416-F422 HydrophobicContact CB-CE2 4.04Å; I416-F422 HydrophobicContact CB-CZ 4.16Å; I416-F422 HydrophobicContact CG2-CE2 3.81Å; I416-F422 HydrophobicContact CG2-CZ 3.94Å; A418-F422 HydrophobicContact CB-CD2 3.97Å; A418-F422 HydrophobicContact CB-CE2 3.58Å; A418-F422 HydrophobicContact CB-CZ 4.44Å; F422-G424 VanDerWaalsContact C-N 3.32Å; F422-G424 PolarHBondContact O-N 3.44Å; F422-H427 HydrophobicContact CD1-CB 3.6Å; F422-H427 HydrophobicContact CD2-CB 3.81Å; F422-H427 HydrophobicContact CE1-CB 3.59Å; F422-H427 HydrophobicContact CE2-CB 3.79Å; F422-H427 HydrophobicContact CG-CB 3.72Å; F422-H427 HydrophobicContact CZ-CB 3.69Å
423E80.4Confident88.8Confident203 Ų20353.4 Ų53.495%0.94931%0.31SS*.SBendtrans-67.992164.8-68.8-174.7177.700109.3
424G81.7Confident88.4Confident57 Ų5761.9 Ų61.959%0.58835%0.349SS*.SBendtrans107.4-145.2-172.900000112.2F422F422-G424 VanDerWaalsContact C-N 3.32Å; F422-G424 PolarHBondContact O-N 3.44Å
425E83.4Confident87.9Confident102 Ų10267.1 Ų67.148%0.47738%0.377SS..SBendtrans-110.8-14.6-174.169.9-173-175.700114.7K239 F417 A418K239-E425 IonicContact NZ-OE2 3.91Å; K239-E425 PolarHBondContact NZ-OE2 2.81Å; F417-E425 WeakPolarHBondContact CA-O 3.45Å; A418-E425 PolarHBondContact N-O 3.44Å
426S90.4Very high87.6Confident39 Ų3966.5 Ų66.527%0.27337%0.374SS..EExtended strand (participates in β ladder)trans-147150.6-178.567.90000111.9I416I416-S426 CarbonylContact O-C 3.59Å; I416-S426 WeakPolarHBondContact O-CA 3.38Å; I416-S426 WeakPolarHBondContact O-CB 3.07Å
427H93.1Very high87.3Confident71 Ų7169.2 Ų69.233%0.32939%0.392SS..EExtended strand (participates in β ladder)trans-115127.8169.5-171.871.9000109.2I416 F422I416-H427 PolarHBondContact N-O 2.98Å; I416-H427 PolarHBondContact O-N 2.91Å; F422-H427 HydrophobicContact CD1-CB 3.6Å; F422-H427 HydrophobicContact CD2-CB 3.81Å; F422-H427 HydrophobicContact CE1-CB 3.59Å; F422-H427 HydrophobicContact CE2-CB 3.79Å; F422-H427 HydrophobicContact CG-CB 3.72Å; F422-H427 HydrophobicContact CZ-CB 3.69Å
428V94.4Very high87.1Confident77 Ų7767.2 Ų67.247%0.46739%0.39SS..EExtended strand (participates in β ladder)trans-113.5118.7-176.1-175.70000109.6V414 L415V414-V428 WeakPolarHBondContact O-CA 3.49Å; L415-V428 HydrophobicContact CD2-CG2 3.87Å; L415-V428 HydrophobicContact CG-CG1 4.18Å; L415-V428 HydrophobicContact CG-CG2 3.88Å
429V93.6Very high87.2Confident29 Ų2969.5 Ų69.518%0.17641%0.406CS..EExtended strand (participates in β ladder)trans-102.8118173-176.90000108.8A413 V414 I440 V442A413-V429 CarbonylContact C-O 3.55Å; A413-V429 WeakPolarHBondContact CA-O 3.18Å; V414-V429 PolarHBondContact N-O 3.42Å; V414-V429 PolarHBondContact O-N 2.81Å; V429-I440 HydrophobicContact CG1-CG2 3.85Å; V429-V442 HydrophobicContact CB-CG2 4.36Å; V429-V442 HydrophobicContact CG2-CB 4.35Å; V429-V442 HydrophobicContact CG2-CG1 3.75Å; V429-V442 HydrophobicContact CG2-CG2 3.73Å
430H93.6Very high88Confident113 Ų11366.8 Ų66.852%0.52339%0.393SS..  trans-128.492.7-179.2-170.1-115.7000110.4R412R412-H430 VanDerWaalsContact CZ-NE2 3.25Å; R412-H430 PolarHBondContact NH1-NE2 3.5Å; R412-H430 PolarHBondContact NH2-CE1 3.23Å; R412-H430 PolarHBondContact NH2-NE2 2.95Å; R412-H430 PolarHBondContact O-CD2 2.87Å
431P91.4Very high88.7Confident21 Ų2167.5 Ų67.514%0.13639%0.391CS..  trans-61144.8177.4-22.633.5000112R412 N435 L436 I440R412-P431 PolarHBondContact NH1-O 3.34Å; P431-N435 HydrophobicContact CB-CB 4.39Å; P431-L436 HydrophobicContact CB-CD2 4.42Å; P431-I440 HydrophobicContact CG-CD1 3.54Å; P431-I440 HydrophobicContact CG-CG1 4.16Å
432S89.9Confident89Confident58 Ų5866.5 Ų66.541%0.40639%0.386SS..  trans-61.5157.1170.874.90000110.1Q434 N435 L436S432-Q434 PolarHBondContact O-N 3.49Å; S432-N435 PolarHBondContact O-N 3.42Å; S432-N435 PolarHBondContact OG-ND2 2.86Å; S432-L436 PolarHBondContact O-N 3.24Å
433A84.9Confident89.3Confident79 Ų7967.5 Ų67.565%0.65340%0.395SS*.G310 helixtrans-57.7-25.5-177.600000113.7
434Q85.7Confident89.8Confident184 Ų18457.9 Ų57.986%0.8635%0.35SS*.G310 helixtrans-78.4-26.3177.7-64.6174.8-1.200112.6S432S432-Q434 PolarHBondContact O-N 3.49Å
435N86.6Confident90.2Very high109 Ų10959 Ų5958%0.58334%0.342SS*.G310 helixtrans-102.820.5-176.2-63.5-12.3000112.3P431 S432 C437P431-N435 HydrophobicContact CB-CB 4.39Å; S432-N435 PolarHBondContact O-N 3.42Å; S432-N435 PolarHBondContact OG-ND2 2.86Å; N435-C437 PolarHBondContact O-N 3.31Å; N435-C437 PolarHBondContact O-SG 3.03Å
436L87.8Confident90.5Very high24 Ų2454.3 Ų54.313%0.12632%0.32CS..  trans-76120.7177.9-74.8168.7000111I410 P431 S432I410-L436 HydrophobicContact CD1-CB 4.22Å; I410-L436 HydrophobicContact CD1-CD1 3.95Å; I410-L436 HydrophobicContact CD1-CD2 3.92Å; I410-L436 HydrophobicContact CD1-CG 4.25Å; P431-L436 HydrophobicContact CB-CD2 4.42Å; S432-L436 PolarHBondContact O-N 3.24Å
437C88.6Confident90.4Very high58 Ų5856.4 Ų56.439%0.39233%0.333SS..  trans-139.9166-179.944.70000110.6I411 N435 S439I411-C437 PolarHBondContact N-O 3.39Å; N435-C437 PolarHBondContact O-N 3.31Å; N435-C437 PolarHBondContact O-SG 3.03Å; C437-S439 PolarHBondContact O-N 3.47Å; C437-S439 PolarHBondContact SG-O 2.97Å
438G88.5Confident90.1Very high22 Ų2257.4 Ų57.423%0.22734%0.336CS..SBendtrans-775.8173.400000113.5S404 T405 T409S404-G438 CarbonylContact C-O 3.51Å; S404-G438 WeakPolarHBondContact CA-O 3.41Å; T405-G438 PolarHBondContact N-O 3.39Å; T405-G438 PolarHBondContact OG1-O 3.28Å; T409-G438 WeakPolarHBondContact O-CA 3.37Å
439S91.8Very high89.8Confident50 Ų5054.6 Ų54.635%0.3532%0.319SS..EExtended strand (participates in β ladder)trans-141.8129.4180-1780000111I403 C437I403-S439 CarbonylContact O-C 3.4Å; I403-S439 VanDerWaalsContact O-CA 3.24Å; I403-S439 WeakPolarHBondContact O-CA 3.34Å; C437-S439 PolarHBondContact O-N 3.47Å; C437-S439 PolarHBondContact SG-O 2.97Å
440I93.1Very high89.6Confident9 Ų956.4 Ų56.45%0.04633%0.327CS..EExtended strand (participates in β ladder)trans-125.4133.7177.3-67.7179.6000108.5I403 I411 V414 V429 P431 V442I403-I440 PolarHBondContact N-O 3.09Å; I403-I440 PolarHBondContact O-N 2.76Å; I411-I440 HydrophobicContact CB-CD1 3.71Å; I411-I440 HydrophobicContact CB-CG1 4.15Å; I411-I440 HydrophobicContact CG2-CD1 3.5Å; I411-I440 HydrophobicContact CG2-CG1 4.32Å; V414-I440 HydrophobicContact CG2-CD1 4.03Å; V429-I440 HydrophobicContact CG1-CG2 3.85Å; P431-I440 HydrophobicContact CG-CD1 3.54Å; P431-I440 HydrophobicContact CG-CG1 4.16Å; I440-V442 HydrophobicContact CG2-CG2 3.92Å
441C91.5Very high89.4Confident59 Ų5953.7 Ų53.740%0.39932%0.319SS..EExtended strand (participates in β ladder)trans-104.5132.7170.9-660000109.9E400 L401E400-C441 HydrophobicContact CG-CB 3.89Å; E400-C441 VanDerWaalsContact OE1-CB 3.24Å; E400-C441 WeakPolarHBondContact OE1-CB 3.36Å; E400-C441 PolarHBondContact OE1-SG 3.39Å; L401-C441 CarbonylContact O-C 3.54Å; L401-C441 WeakPolarHBondContact O-CA 3.28Å
442V91.9Very high89.3Confident0 Ų053.7 Ų53.70%032%0.319CS..EExtended strand (participates in β ladder)trans-122.3121.7179.5-170.90000109.4L401 I416 V429 I440L401-V442 PolarHBondContact N-O 2.87Å; L401-V442 PolarHBondContact O-N 2.84Å; I416-V442 HydrophobicContact CD1-CB 4.06Å; I416-V442 HydrophobicContact CD1-CG1 3.75Å; I416-V442 HydrophobicContact CD1-CG2 4.13Å; V429-V442 HydrophobicContact CB-CG2 4.36Å; V429-V442 HydrophobicContact CG2-CB 4.35Å; V429-V442 HydrophobicContact CG2-CG1 3.75Å; V429-V442 HydrophobicContact CG2-CG2 3.73Å; I440-V442 HydrophobicContact CG2-CG2 3.92Å
443P91.9Very high89.3Confident53 Ų5354.2 Ų54.234%0.34432%0.317SS..EExtended strand (participates in β ladder)trans-77.1132.7174.931.2-33.6000110.9H398H398-P443 HydrophobicContact CB-CB 4.15Å; H398-P443 WeakPolarHBondContact CD2-CB 3.03Å
444I91.9Very high89.7Confident1 Ų150.5 Ų50.51%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-126.6131.2179.9-52.4-179.9000108.9I399 L401 I421 P446 L454 L477I399-I444 HydrophobicContact CB-CB 4.45Å; I399-I444 PolarHBondContact N-O 3.32Å; I399-I444 PolarHBondContact O-N 2.87Å; L401-I444 HydrophobicContact CB-CD1 3.8Å; L401-I444 HydrophobicContact CB-CG1 4.49Å; L401-I444 HydrophobicContact CD2-CD1 4.04Å; I421-I444 HydrophobicContact CG2-CG2 3.71Å; I444-P446 HydrophobicContact CG2-CG 4.3Å; I444-L454 HydrophobicContact CD1-CD1 3.56Å; I444-L477 HydrophobicContact CG2-CD1 4.1Å
445I90.7Very high90.1Very high81 Ų8145.8 Ų45.842%0.41526%0.264SS..  trans-130.987.3-178.6-57.8176.1000108.2H398 M482H398-I445 HydrophobicContact CB-CD1 4.18Å; H398-I445 HydrophobicContact CB-CG1 3.72Å; I445-M482 HydrophobicContact CG2-CE 4.01Å
446P89.9Confident90.5Very high3 Ų340.7 Ų40.72%0.01924%0.237CC..  trans-64.8129.7175.9-20.833.8000111.4I399 I421 I444 L477 M482 R534I399-P446 HydrophobicContact CD1-CG 3.92Å; I421-P446 HydrophobicContact CD1-CB 4.32Å; I421-P446 HydrophobicContact CD1-CG 4.19Å; I421-P446 HydrophobicContact CG1-CB 4.33Å; I444-P446 HydrophobicContact CG2-CG 4.3Å; P446-L477 HydrophobicContact CG-CD1 3.96Å; P446-M482 HydrophobicContact CG-CG 4.47Å; P446-R534 PolarHBondContact O-NE 2.87Å; P446-R534 PolarHBondContact O-NH2 3.45Å; P446-R534 VanDerWaalsContact O-NH2 3.15Å
447P87.1Confident90.9Very high83 Ų8342.9 Ų42.954%0.53925%0.245SC..SBendtrans-76.2-26.6-176.329-34.6000113.8G420G420-P447 VanDerWaalsContact O-CG 3.24Å; G420-P447 WeakPolarHBondContact O-CG 3.42Å
448K86.6Confident91.2Very high92 Ų9240.1 Ų40.140%0.423%0.227SC..SBendtrans-128160.1-179.3-65.8-175.7177.1-178.90110.8D185 I450 R534D185-K448 PolarHBondContact O-NZ 3.45Å; K448-I450 HydrophobicContact CB-CD1 4.17Å; K448-I450 HydrophobicContact CB-CG1 4.21Å; K448-I450 HydrophobicContact CD-CD1 4.24Å; K448-I450 PolarHBondContact O-N 2.74Å; K448-R534 PolarHBondContact O-NH2 2.86Å
449D89.9Confident91.5Very high19 Ų1942.1 Ų42.110%0.10223%0.229CC..SBendtrans-87.675.9177.2-63.5-48.9000111.4R479 F480 Y483 R534D449-R479 CarbonylContact C-O 3.51Å; D449-R479 VanDerWaalsContact CA-O 3.24Å; D449-R479 WeakPolarHBondContact CA-O 3.21Å; D449-R479 HydrophobicContact CB-CG 4.37Å; D449-R479 WeakPolarHBondContact CB-O 3.43Å; D449-R479 WeakPolarHBondContact O-CG 3.4Å; D449-F480 HydrophobicContact CB-CD1 3.84Å; D449-F480 HydrophobicContact CB-CE1 4.03Å; D449-Y483 WeakPolarHBondContact OD1-CE2 3.2Å; D449-Y483 PolarHBondContact OD2-OH 2.8Å; D449-R534 IonicContact OD1-CZ 3.63Å; D449-R534 VanDerWaalsContact OD1-CZ 3.23Å; D449-R534 IonicContact OD1-NH1 3.81Å; D449-R534 PolarHBondContact OD1-NH1 3.26Å; D449-R534 IonicContact OD1-NH2 3.76Å; D449-R534 PolarHBondContact OD1-NH2 3.25Å; D449-R534 IonicContact OD2-CZ 3.95Å; D449-R534 IonicContact OD2-NH1 3.19Å; D449-R534 PolarHBondContact OD2-NH1 2.97Å; D449-R534 IonicContact OD2-NH2 2.87Å
450I87.6Confident91.6Very high67 Ų6739.8 Ų39.834%0.34421%0.213SC..  trans-130.5140.7179.5-58.5177.2000107.4K448 V452K448-I450 HydrophobicContact CB-CD1 4.17Å; K448-I450 HydrophobicContact CB-CG1 4.21Å; K448-I450 HydrophobicContact CD-CD1 4.24Å; K448-I450 PolarHBondContact O-N 2.74Å; I450-V452 WeakPolarHBondContact O-CG2 3Å; I450-V452 PolarHBondContact O-N 3.39Å
451P89.4Confident91.5Very high56 Ų5639.4 Ų39.436%0.36421%0.211SC..  trans-64133.4171.927.7-35000110.4L477P451-L477 VanDerWaalsContact CA-O 3.3Å; P451-L477 WeakPolarHBondContact CA-O 3.42Å
452V89.9Confident91.3Very high21 Ų2137.9 Ų37.913%0.12721%0.205CC..EExtended strand (participates in β ladder)trans-132.3132.2-177.8-176.10000111.5A418 I421 I450 Q476 L477A418-V452 HydrophobicContact CB-CG1 4.11Å; I421-V452 HydrophobicContact CD1-CB 3.62Å; I421-V452 HydrophobicContact CD1-CG1 3.44Å; I421-V452 VanDerWaalsContact CD1-CG1 3.44Å; I421-V452 HydrophobicContact CD1-CG2 3.76Å; I421-V452 HydrophobicContact CG1-CB 4.41Å; I421-V452 HydrophobicContact CG1-CG1 4.07Å; I421-V452 HydrophobicContact CG1-CG2 4.1Å; I450-V452 WeakPolarHBondContact O-CG2 3Å; I450-V452 PolarHBondContact O-N 3.39Å; V452-Q476 WeakPolarHBondContact O-CA 3.38Å; V452-L477 PolarHBondContact N-O 3.38Å; V452-L477 VanDerWaalsContact N-O 3.1Å; V452-L477 PolarHBondContact O-N 2.91Å
453D91Very high90.8Very high69 Ų6945.5 Ų45.537%0.36924%0.238SC..EExtended strand (participates in β ladder)trans-87.3122.4172.9-64.1-26.5000110.7T474 Q476D453-T474 HydrophobicContact CB-CG2 4.25Å; D453-Q476 WeakPolarHBondContact OD1-CB 3.45Å; D453-Q476 VanDerWaalsContact OD1-CG 3.32Å; D453-Q476 WeakPolarHBondContact OD1-CG 3.39Å; D453-Q476 PolarHBondContact OD1-NE2 2.9Å
454L93.1Very high90.3Very high0 Ų047.1 Ų47.10%025%0.251CS..EExtended strand (participates in β ladder)trans-95.1108.1174-53.3179.7000108.9L401 I416 A418 I421 I444 I456 T474 R475 L477L401-L454 HydrophobicContact CD2-CD1 4.37Å; I416-L454 HydrophobicContact CG2-CB 4.13Å; I416-L454 HydrophobicContact CG2-CD2 4.27Å; A418-L454 HydrophobicContact CB-CD2 3.51Å; I421-L454 HydrophobicContact CD1-CD2 4.13Å; I444-L454 HydrophobicContact CD1-CD1 3.56Å; L454-I456 HydrophobicContact CB-CG1 4.36Å; L454-T474 WeakPolarHBondContact O-CA 3.38Å; L454-R475 WeakPolarHBondContact CA-O 3.34Å; L454-R475 WeakPolarHBondContact CB-O 3.14Å; L454-R475 PolarHBondContact N-O 3.45Å; L454-R475 PolarHBondContact O-N 2.99Å; L454-L477 HydrophobicContact CD1-CD1 4Å; L454-L477 HydrophobicContact CD1-CD2 4.27Å; L454-L477 HydrophobicContact CD1-CG 3.86Å; L454-L477 HydrophobicContact CD2-CD1 4.1Å; L454-L477 HydrophobicContact CG-CD1 4.24Å; L454-L477 HydrophobicContact CG-CG 4.15Å
455H94.5Very high89.8Confident86 Ų8647.7 Ų47.740%0.39826%0.255SS..EExtended strand (participates in β ladder)trans-91.2105.7172.2-56.5-69.5000109.6F417 T474F417-H455 HydrophobicContact CB-CB 4.23Å; F417-H455 PolarHBondContact N-O 3.13Å; F417-H455 PolarHBondContact O-N 2.91Å; H455-T474 WeakPolarHBondContact ND1-CG2 3.45Å; H455-T474 PolarHBondContact ND1-OG1 3.3Å
456I94.8Very high89.5Confident1 Ų148.4 Ų48.41%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-100.2126.3-172.2-58.7156.9000108.6L401 I403 V414 I416 L454 E472 I473 R475L401-I456 HydrophobicContact CD1-CD1 4.27Å; L401-I456 HydrophobicContact CD2-CD1 3.66Å; L401-I456 HydrophobicContact CD2-CG1 4.2Å; I403-I456 HydrophobicContact CD1-CG2 3.78Å; V414-I456 HydrophobicContact CG1-CG2 3.76Å; I416-I456 HydrophobicContact CG1-CG1 4.38Å; I416-I456 HydrophobicContact CG2-CG1 4.26Å; L454-I456 HydrophobicContact CB-CG1 4.36Å; I456-E472 WeakPolarHBondContact O-CA 3.46Å; I456-I473 HydrophobicContact CB-CG2 3.7Å; I456-I473 HydrophobicContact CD1-CG2 4.01Å; I456-I473 HydrophobicContact CG1-CG2 4.43Å; I456-I473 HydrophobicContact CG2-CG2 4.12Å; I456-I473 PolarHBondContact N-O 3.44Å; I456-I473 PolarHBondContact O-N 3.11Å; I456-R475 HydrophobicContact CD1-CB 4.37Å; I456-R475 HydrophobicContact CD1-CG 4.19Å
457K96.1Very high89.3Confident70 Ų7054 Ų5430%0.30429%0.293SS..EExtended strand (participates in β ladder)trans-114.2104.5170.8-55.2-162.3-177.5-145.50109L415 F417 V470 F471 E472L415-K457 HydrophobicContact CB-CB 4.38Å; L415-K457 PolarHBondContact N-O 3.29Å; L415-K457 PolarHBondContact O-N 2.89Å; F417-K457 HydrophobicContact CD2-CG 4.49Å; F417-K457 HydrophobicContact CE2-CD 4.07Å; F417-K457 HydrophobicContact CE2-CG 4.28Å; K457-V470 HydrophobicContact CB-CG1 4.01Å; K457-F471 WeakPolarHBondContact CA-O 3.22Å; K457-E472 HydrophobicContact CD-CG 4.46Å; K457-E472 WeakPolarHBondContact CE-OE1 3.39Å; K457-E472 HydrophobicContact CG-CG 4.27Å; K457-E472 IonicContact NZ-OE1 3.98Å; K457-E472 PolarHBondContact NZ-OE1 3.31Å
458A95.1Very high89.4Confident0 Ų052.8 Ų52.80%028%0.28CS..EExtended strand (participates in β ladder)trans-102.3129.4-178.600000110.8L382 I411 V414 V460 V470 F471L382-A458 HydrophobicContact CD1-CB 3.57Å; L382-A458 HydrophobicContact CD2-CB 4.06Å; L382-A458 HydrophobicContact CG-CB 4.48Å; I411-A458 HydrophobicContact CG2-CB 4.49Å; V414-A458 HydrophobicContact CG2-CB 4.37Å; A458-V460 HydrophobicContact CB-CG2 4.44Å; A458-V470 WeakPolarHBondContact O-CA 3.4Å; A458-F471 PolarHBondContact N-O 2.98Å; A458-F471 PolarHBondContact O-N 2.97Å
459F94.7Very high89.6Confident65 Ų6552.8 Ų52.829%0.28528%0.281SS..EExtended strand (participates in β ladder)trans-93.1109.7178.6-63.4-4.3000109.1I411 R412 A413 L415 F468 H469 V470I411-F459 CarbonylContact C-O 3.57Å; I411-F459 WeakPolarHBondContact CA-O 3.28Å; R412-F459 HydrophobicContact CB-CB 4.28Å; R412-F459 PolarHBondContact N-O 3.15Å; A413-F459 HydrophobicContact CB-CB 4.27Å; A413-F459 HydrophobicContact CB-CD2 3.68Å; A413-F459 HydrophobicContact CB-CE2 4.31Å; A413-F459 HydrophobicContact CB-CG 4.17Å; A413-F459 PolarHBondContact O-N 2.68Å; L415-F459 HydrophobicContact CD1-CD1 4.5Å; L415-F459 HydrophobicContact CD1-CE1 3.74Å; L415-F459 HydrophobicContact CD1-CE2 3.83Å; L415-F459 HydrophobicContact CD1-CZ 3.36Å; F459-F468 HydrophobicContact CB-CB 4.14Å; F459-H469 CarbonylContact C-O 3.46Å; F459-H469 WeakPolarHBondContact CA-O 3.3Å; F459-V470 HydrophobicContact CD1-CB 4.26Å; F459-V470 HydrophobicContact CD1-CG1 4.01Å; F459-V470 HydrophobicContact CD1-CG2 3.67Å; F459-V470 HydrophobicContact CE1-CB 4.31Å; F459-V470 HydrophobicContact CE1-CG1 3.82Å; F459-V470 HydrophobicContact CE1-CG2 3.62Å
460V93.2Very high89.8Confident1 Ų155.4 Ų55.41%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-114.7137.8-172.4-177.50000110.5T380 L382 T405 T409 I410 A458 H469 F471T380-V460 HydrophobicContact CG2-CG1 4.02Å; L382-V460 HydrophobicContact CD1-CG2 4.1Å; T405-V460 HydrophobicContact CG2-CG1 3.92Å; T405-V460 HydrophobicContact CG2-CG2 4.17Å; T409-V460 HydrophobicContact CG2-CG1 4.3Å; T409-V460 WeakPolarHBondContact OG1-CG1 3.44Å; I410-V460 WeakPolarHBondContact O-CA 3.36Å; A458-V460 HydrophobicContact CB-CG2 4.44Å; V460-H469 PolarHBondContact N-O 2.92Å; V460-H469 PolarHBondContact O-N 3.48Å; V460-F471 HydrophobicContact CB-CD2 3.89Å; V460-F471 HydrophobicContact CB-CE2 3.94Å; V460-F471 HydrophobicContact CG1-CE2 4.39Å; V460-F471 HydrophobicContact CG2-CD2 3.74Å; V460-F471 HydrophobicContact CG2-CE2 4.21Å
461G90.8Very high90.1Very high0 Ų054.7 Ų54.70%029%0.292CS..EExtended strand (participates in β ladder)trans179.6-16517900000114.2I410I410-G461 WeakPolarHBondContact CG1-O 3.43Å; I410-G461 PolarHBondContact N-O 2.73Å; I410-G461 PolarHBondContact O-N 2.91Å; I410-G461 VanDerWaalsContact O-N 3.09Å
462G86.9Confident90.4Very high27 Ų2758.5 Ų58.528%0.27831%0.305SS..  trans-82.4157.1172.100000112.8S464 S465G462-S464 VanDerWaalsContact C-N 3.3Å; G462-S464 PolarHBondContact O-N 2.85Å; G462-S465 WeakPolarHBondContact O-CB 3.35Å; G462-S465 PolarHBondContact O-N 3.43Å; G462-S465 VanDerWaalsContact O-N 3.12Å
463K82.1Confident90.6Very high160 Ų16059.3 Ų59.370%0.69631%0.308SS*.THydrogen-bonded Turntrans-57.6-37-177.4-72.8-177.8179.2-179.20114.3I410I410-K463 HydrophobicContact CD1-CG 4.38Å; I410-K463 HydrophobicContact CG1-CG 4.33Å; I410-K463 HydrophobicContact CG2-CD 4.46Å; I410-K463 HydrophobicContact CG2-CG 3.68Å
464S80.6Confident90.7Very high88 Ų8859.7 Ų59.762%0.61531%0.313SS*.THydrogen-bonded Turntrans-100.812-179.358.50000113.3G462G462-S464 VanDerWaalsContact C-N 3.3Å; G462-S464 PolarHBondContact O-N 2.85Å
465S82.6Confident90.7Very high12 Ų1264.6 Ų64.68%0.08433%0.331CS..  trans-73145.5-176.3-167.20000111.6G374 G462 Q467 F468G374-S465 WeakPolarHBondContact CA-OG 3.29Å; G462-S465 WeakPolarHBondContact O-CB 3.35Å; G462-S465 PolarHBondContact O-N 3.43Å; G462-S465 VanDerWaalsContact O-N 3.12Å; S465-Q467 WeakPolarHBondContact CB-O 3.47Å; S465-Q467 PolarHBondContact OG-N 3.38Å; S465-Q467 PolarHBondContact OG-O 2.81Å; S465-F468 WeakPolarHBondContact O-CE2 3.32Å; S465-F468 VanDerWaalsContact O-CZ 3.23Å; S465-F468 WeakPolarHBondContact O-CZ 3.22Å
466S83.5Confident90.6Very high97 Ų9766.3 Ų66.368%0.67834%0.34SS*.SBendtrans-93.2-21.2170.465.50000112.6Q372Q372-S466 PolarHBondContact O-OG 2.91Å
467Q85.8Confident90.4Very high119 Ų11966.3 Ų66.356%0.55634%0.34SS*.SBendtrans-120.4139.1179.7-62.1-1763.200110S465S465-Q467 WeakPolarHBondContact CB-O 3.47Å; S465-Q467 PolarHBondContact OG-N 3.38Å; S465-Q467 PolarHBondContact OG-O 2.81Å
468F89.7Confident90.3Very high59 Ų5964 Ų6426%0.25933%0.332SS..  trans-128.9146.3-177-62.1-88.7000109.6I410 R412 F459 S465I410-F468 HydrophobicContact CD1-CE1 4.47Å; R412-F468 HydrophobicContact CB-CD1 3.83Å; R412-F468 HydrophobicContact CB-CE1 3.66Å; R412-F468 HydrophobicContact CB-CG 4.34Å; R412-F468 HydrophobicContact CB-CZ 4.02Å; R412-F468 HydrophobicContact CG-CD1 4.38Å; R412-F468 HydrophobicContact CG-CD2 4.43Å; R412-F468 HydrophobicContact CG-CE1 3.96Å; R412-F468 HydrophobicContact CG-CE2 4.02Å; R412-F468 HydrophobicContact CG-CZ 3.76Å; F459-F468 HydrophobicContact CB-CB 4.14Å; S465-F468 WeakPolarHBondContact O-CE2 3.32Å; S465-F468 VanDerWaalsContact O-CZ 3.23Å; S465-F468 WeakPolarHBondContact O-CZ 3.22Å
469H90.9Very high90.2Very high91 Ų9167.8 Ų67.842%0.42135%0.346SS..EExtended strand (participates in β ladder)trans-79.2136.3170.6-74-100.1000109.6G374 I376 F459 V460 F471G374-H469 PolarHBondContact O-CD2 3.2Å; G374-H469 PolarHBondContact O-NE2 3.38Å; I376-H469 HydrophobicContact CD1-CB 3.76Å; F459-H469 CarbonylContact C-O 3.46Å; F459-H469 WeakPolarHBondContact CA-O 3.3Å; V460-H469 PolarHBondContact N-O 2.92Å; V460-H469 PolarHBondContact O-N 3.48Å; H469-F471 HydrophobicContact CB-CD2 4.23Å; H469-F471 HydrophobicContact CB-CE2 3.81Å
470V94.4Very high90.2Very high74 Ų7464.7 Ų64.745%0.44833%0.332SS..EExtended strand (participates in β ladder)trans-98108.1174.9-174.20000108.4K457 A458 F459 E472K457-V470 HydrophobicContact CB-CG1 4.01Å; A458-V470 WeakPolarHBondContact O-CA 3.4Å; F459-V470 HydrophobicContact CD1-CB 4.26Å; F459-V470 HydrophobicContact CD1-CG1 4.01Å; F459-V470 HydrophobicContact CD1-CG2 3.67Å; F459-V470 HydrophobicContact CE1-CB 4.31Å; F459-V470 HydrophobicContact CE1-CG1 3.82Å; F459-V470 HydrophobicContact CE1-CG2 3.62Å; V470-E472 HydrophobicContact CG1-CG 4.37Å
471F94.3Very high90.2Very high53 Ų5364.7 Ų64.723%0.23233%0.332CS..EExtended strand (participates in β ladder)trans-88.7126.2171.6-75.7-99.8000109I376 T380 L382 K457 A458 V460 H469I376-F471 HydrophobicContact CD1-CE2 3.59Å; I376-F471 HydrophobicContact CD1-CZ 3.71Å; T380-F471 HydrophobicContact CG2-CZ 4.23Å; T380-F471 WeakPolarHBondContact O-CE1 3.14Å; L382-F471 HydrophobicContact CD1-CB 4.43Å; K457-F471 WeakPolarHBondContact CA-O 3.22Å; A458-F471 PolarHBondContact N-O 2.98Å; A458-F471 PolarHBondContact O-N 2.97Å; V460-F471 HydrophobicContact CB-CD2 3.89Å; V460-F471 HydrophobicContact CB-CE2 3.94Å; V460-F471 HydrophobicContact CG1-CE2 4.39Å; V460-F471 HydrophobicContact CG2-CD2 3.74Å; V460-F471 HydrophobicContact CG2-CE2 4.21Å; H469-F471 HydrophobicContact CB-CD2 4.23Å; H469-F471 HydrophobicContact CB-CE2 3.81Å
472E94.7Very high90.2Very high135 Ų13564.7 Ų64.763%0.63133%0.333SS*.EExtended strand (participates in β ladder)trans-105.5123.9176.2-56-165.4162.500109.3I456 K457 V470I456-E472 WeakPolarHBondContact O-CA 3.46Å; K457-E472 HydrophobicContact CD-CG 4.46Å; K457-E472 WeakPolarHBondContact CE-OE1 3.39Å; K457-E472 HydrophobicContact CG-CG 4.27Å; K457-E472 IonicContact NZ-OE1 3.98Å; K457-E472 PolarHBondContact NZ-OE1 3.31Å; V470-E472 HydrophobicContact CG1-CG 4.37Å
473I94.3Very high90.5Very high39 Ų3963.6 Ų63.620%0.232%0.32CS..EExtended strand (participates in β ladder)trans-136.2145.7174.6-168.9170.9000109.2L382 T384 I456L382-I473 HydrophobicContact CD2-CB 4.45Å; L382-I473 HydrophobicContact CD2-CG2 3.58Å; T384-I473 HydrophobicContact CG2-CD1 4.13Å; T384-I473 HydrophobicContact CG2-CG2 4.21Å; I456-I473 HydrophobicContact CB-CG2 3.7Å; I456-I473 HydrophobicContact CD1-CG2 4.01Å; I456-I473 HydrophobicContact CG1-CG2 4.43Å; I456-I473 HydrophobicContact CG2-CG2 4.12Å; I456-I473 PolarHBondContact N-O 3.44Å; I456-I473 PolarHBondContact O-N 3.11Å
474T93.4Very high90.8Very high77 Ų7756.9 Ų56.947%0.47229%0.292SS..EExtended strand (participates in β ladder)trans-112.7133.3173.8-57.40000109.5D453 L454 H455D453-T474 HydrophobicContact CB-CG2 4.25Å; L454-T474 WeakPolarHBondContact O-CA 3.38Å; H455-T474 WeakPolarHBondContact ND1-CG2 3.45Å; H455-T474 PolarHBondContact ND1-OG1 3.3Å
475R92.6Very high91.2Very high103 Ų10355.5 Ų55.539%0.38928%0.277SS..EExtended strand (participates in β ladder)trans-129.1136.7174.3-71.5-61.2-175.8173.63.5110T384 L454 I456T384-R475 PolarHBondContact OG1-NE 2.89Å; T384-R475 PolarHBondContact OG1-NH2 3.01Å; L454-R475 WeakPolarHBondContact CA-O 3.34Å; L454-R475 WeakPolarHBondContact CB-O 3.14Å; L454-R475 PolarHBondContact N-O 3.45Å; L454-R475 PolarHBondContact O-N 2.99Å; I456-R475 HydrophobicContact CD1-CB 4.37Å; I456-R475 HydrophobicContact CD1-CG 4.19Å
476Q91.4Very high91Very high122 Ų12260.1 Ų60.157%0.5730%0.301SS*.EExtended strand (participates in β ladder)trans-98.9130.2178.3-175.8167.972.200110.1V452 D453V452-Q476 WeakPolarHBondContact O-CA 3.38Å; D453-Q476 WeakPolarHBondContact OD1-CB 3.45Å; D453-Q476 VanDerWaalsContact OD1-CG 3.32Å; D453-Q476 WeakPolarHBondContact OD1-CG 3.39Å; D453-Q476 PolarHBondContact OD1-NE2 2.9Å
477L92.6Very high90.5Very high1 Ų158.4 Ų58.41%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-84.2129164.2-69.3177.4000108.7L386 I399 I421 I444 P446 P451 V452 L454 L518L386-L477 HydrophobicContact CD1-CD2 3.84Å; L386-L477 HydrophobicContact CD2-CD2 3.85Å; L386-L477 HydrophobicContact CG-CD2 4.46Å; I399-L477 HydrophobicContact CD1-CD2 4.4Å; I399-L477 HydrophobicContact CG2-CD2 4.19Å; I421-L477 HydrophobicContact CD1-CD1 3.93Å; I444-L477 HydrophobicContact CG2-CD1 4.1Å; P446-L477 HydrophobicContact CG-CD1 3.96Å; P451-L477 VanDerWaalsContact CA-O 3.3Å; P451-L477 WeakPolarHBondContact CA-O 3.42Å; V452-L477 PolarHBondContact N-O 3.38Å; V452-L477 VanDerWaalsContact N-O 3.1Å; V452-L477 PolarHBondContact O-N 2.91Å; L454-L477 HydrophobicContact CD1-CD1 4Å; L454-L477 HydrophobicContact CD1-CD2 4.27Å; L454-L477 HydrophobicContact CD1-CG 3.86Å; L454-L477 HydrophobicContact CD2-CD1 4.1Å; L454-L477 HydrophobicContact CG-CD1 4.24Å; L454-L477 HydrophobicContact CG-CG 4.15Å; L477-L518 HydrophobicContact CD2-CD1 4.42Å
478P93.1Very high89.7Confident22 Ų2259.4 Ų59.414%0.14329%0.291CS..PPolyproline II helixtrans-70.8163.1175.533.1-36.3000110.7F480 S481 N516 L518P478-F480 PolarHBondContact O-N 3.33Å; P478-S481 VanDerWaalsContact O-CB 3.3Å; P478-S481 WeakPolarHBondContact O-CB 3.37Å; P478-S481 PolarHBondContact O-N 3.19Å; P478-S481 PolarHBondContact O-OG 2.87Å; P478-N516 WeakPolarHBondContact CB-O 3.32Å; P478-L518 HydrophobicContact CG-CB 4.13Å; P478-L518 HydrophobicContact CG-CD1 4.24Å
479R92.7Very high88.5Confident78 Ų7863 Ų6329%0.29432%0.32SS..THydrogen-bonded Turntrans-54.3-50.5-172.5-171.4179.7-74.2-150.4-3.6112.9D449 S481D449-R479 CarbonylContact C-O 3.51Å; D449-R479 VanDerWaalsContact CA-O 3.24Å; D449-R479 WeakPolarHBondContact CA-O 3.21Å; D449-R479 HydrophobicContact CB-CG 4.37Å; D449-R479 WeakPolarHBondContact CB-O 3.43Å; D449-R479 WeakPolarHBondContact O-CG 3.4Å; R479-S481 PolarHBondContact O-N 2.99Å
480F94.6Very high87.4Confident0 Ų067.5 Ų67.50%034%0.341CS..BIsolated β-bridgetrans-101.756.8-177.1-52.5-66.6000110.2D449 P478 M482 Y483 W512 N516 F517 L559 D562 L563D449-F480 HydrophobicContact CB-CD1 3.84Å; D449-F480 HydrophobicContact CB-CE1 4.03Å; P478-F480 PolarHBondContact O-N 3.33Å; F480-M482 VanDerWaalsContact C-N 3.34Å; F480-Y483 HydrophobicContact CB-CD2 3.65Å; F480-Y483 HydrophobicContact CB-CE2 3.96Å; F480-Y483 HydrophobicContact CD1-CE2 4.12Å; F480-W512 HydrophobicContact CD2-CZ2 4.48Å; F480-W512 HydrophobicContact CE2-CH2 4.26Å; F480-W512 AromaticContact CE2-CZ2 3.74Å; F480-W512 HydrophobicContact CE2-CZ2 3.74Å; F480-N516 WeakPolarHBondContact CA-O 3.29Å; F480-N516 WeakPolarHBondContact CB-O 3.47Å; F480-N516 HydrophobicContact CD2-CB 3.84Å; F480-N516 HydrophobicContact CE2-CB 4.22Å; F480-N516 PolarHBondContact N-O 2.89Å; F480-F517 HydrophobicContact CB-CD1 3.66Å; F480-F517 HydrophobicContact CB-CD2 4.18Å; F480-F517 HydrophobicContact CB-CE1 3.43Å; F480-F517 VanDerWaalsContact CB-CE1 3.43Å; F480-F517 HydrophobicContact CB-CE2 3.98Å; F480-F517 HydrophobicContact CB-CG 4.03Å; F480-F517 HydrophobicContact CB-CZ 3.61Å; F480-F517 HydrophobicContact CD2-CD2 4.15Å; F480-F517 HydrophobicContact CD2-CE1 4.47Å; F480-F517 AromaticContact CD2-CE2 3.57Å; F480-F517 HydrophobicContact CD2-CE2 3.57Å; F480-F517 AromaticContact CD2-CZ 3.77Å; F480-F517 HydrophobicContact CD2-CZ 3.77Å; F480-F517 HydrophobicContact CE2-CE2 4.42Å; F480-F517 HydrophobicContact CG-CE1 4.12Å; F480-F517 HydrophobicContact CG-CE2 4.05Å; F480-F517 AromaticContact CG-CZ 3.78Å; F480-F517 HydrophobicContact CG-CZ 3.78Å; F480-F517 WeakPolarHBondContact O-CD1 3.39Å; F480-L559 HydrophobicContact CD1-CD1 4.27Å; F480-L559 HydrophobicContact CE1-CD1 4.27Å; F480-D562 HydrophobicContact CE1-CB 4.15Å; F480-D562 HydrophobicContact CZ-CB 4.44Å; F480-L563 HydrophobicContact CD1-CD2 4.25Å; F480-L563 HydrophobicContact CD2-CD2 4.14Å; F480-L563 HydrophobicContact CE1-CD2 3.93Å; F480-L563 HydrophobicContact CE1-CG 4.38Å; F480-L563 HydrophobicContact CE2-CD2 3.82Å; F480-L563 HydrophobicContact CG-CD2 4.36Å; F480-L563 HydrophobicContact CZ-CD2 3.71Å; F480-L563 HydrophobicContact CZ-CG 4.29Å
481S92.6Very high86.2Confident1 Ų165.2 Ų65.21%0.00733%0.33CS..THydrogen-bonded Turntrans-78.2-15.6-176.153.20000114.4I399 P478 R479 Y483I399-S481 WeakPolarHBondContact CD1-OG 3.27Å; P478-S481 VanDerWaalsContact O-CB 3.3Å; P478-S481 WeakPolarHBondContact O-CB 3.37Å; P478-S481 PolarHBondContact O-N 3.19Å; P478-S481 PolarHBondContact O-OG 2.87Å; R479-S481 PolarHBondContact O-N 2.99Å; S481-Y483 PolarHBondContact O-N 3.31Å
482M92.4Very high85.5Confident1 Ų168 Ų681%0.00535%0.354CS..THydrogen-bonded Turntrans-95.726.5-176.9-71.3-63.5-7500114.1I399 I445 P446 F480 L533 R534I399-M482 HydrophobicContact CD1-CG 4.24Å; I399-M482 HydrophobicContact CD1-SD 3.66Å; I399-M482 HydrophobicContact CG1-SD 3.76Å; I445-M482 HydrophobicContact CG2-CE 4.01Å; P446-M482 HydrophobicContact CG-CG 4.47Å; F480-M482 VanDerWaalsContact C-N 3.34Å; M482-L533 HydrophobicContact CE-CB 3.69Å; M482-L533 HydrophobicContact CE-CD1 4.26Å; M482-L533 WeakPolarHBondContact O-CB 3.45Å; M482-L533 VanDerWaalsContact O-CG 3.3Å; M482-L533 WeakPolarHBondContact O-CG 3.31Å; M482-L533 PolarHBondContact O-N 3.45Å; M482-L533 HydrophobicContact SD-CB 4.5Å; M482-L533 HydrophobicContact SD-CD1 4.12Å; M482-R534 HydrophobicContact CB-CG 4.33Å; M482-R534 HydrophobicContact CE-CG 4.01Å
483Y91.9Very high85Confident3 Ų369.8 Ų69.81%0.01236%0.362CS..EExtended strand (participates in β ladder)trans-126.1118.8-177.3-61.4-84.9000109.8D449 F480 S481 F517 L539 L559D449-Y483 WeakPolarHBondContact OD1-CE2 3.2Å; D449-Y483 PolarHBondContact OD2-OH 2.8Å; F480-Y483 HydrophobicContact CB-CD2 3.65Å; F480-Y483 HydrophobicContact CB-CE2 3.96Å; F480-Y483 HydrophobicContact CD1-CE2 4.12Å; S481-Y483 PolarHBondContact O-N 3.31Å; Y483-F517 HydrophobicContact CD2-CE1 4.11Å; Y483-F517 HydrophobicContact CG-CE1 4.06Å; Y483-L539 HydrophobicContact CD1-CD2 4.37Å; Y483-L559 HydrophobicContact CE1-CD1 4.17Å; Y483-L559 HydrophobicContact CE1-CD2 3.56Å; Y483-L559 HydrophobicContact CE2-CD1 4.24Å; Y483-L559 WeakPolarHBondContact OH-CD1 3.38Å
484D89.8Confident84.8Confident19 Ų1969 Ų6910%0.10236%0.359CS..EExtended strand (participates in β ladder)trans-99.3141.1-179.3-163.30.6000111.1V388 N486 F530 T531 L533V388-D484 HydrophobicContact CG1-CB 3.79Å; D484-N486 PolarHBondContact O-N 3.43Å; D484-N486 PolarHBondContact OD1-N 2.93Å; D484-N486 PolarHBondContact OD1-ND2 2.93Å; D484-N486 WeakPolarHBondContact OD2-CB 3.47Å; D484-N486 PolarHBondContact OD2-ND2 2.83Å; D484-F530 CarbonylContact O-C 3.52Å; D484-F530 WeakPolarHBondContact O-CA 3.37Å; D484-T531 PolarHBondContact N-O 2.91Å; D484-T531 PolarHBondContact O-N 2.8Å; D484-L533 HydrophobicContact CB-CD2 4.08Å
485L87.6Confident84.7Confident60 Ų6069.1 Ų69.131%0.31436%0.36SS..SBendtrans-71.1-15.8172.7-85.4167.3000112.6V487 L519 I523 V528 F530L485-V487 PolarHBondContact O-N 3.42Å; L485-L519 HydrophobicContact CD1-CD2 3.7Å; L485-L519 HydrophobicContact CG-CD2 4.13Å; L485-I523 HydrophobicContact CD1-CG2 4.02Å; L485-V528 HydrophobicContact CD2-CB 4.28Å; L485-V528 HydrophobicContact CD2-CG1 4.31Å; L485-F530 HydrophobicContact CD2-CD1 4.02Å; L485-F530 HydrophobicContact CD2-CE1 3.64Å; L485-F530 HydrophobicContact CD2-CZ 4.1Å; L485-F530 HydrophobicContact CG-CD1 4Å; L485-F530 HydrophobicContact CG-CE1 3.64Å; L485-F530 HydrophobicContact CG-CZ 4.49Å
486N79.4Confident84.7Confident109 Ų10964.2 Ų64.258%0.58334%0.342SS*.  trans-73.1110.3176.2-60.5-49.4000109.8D484 T531D484-N486 PolarHBondContact O-N 3.43Å; D484-N486 PolarHBondContact OD1-N 2.93Å; D484-N486 PolarHBondContact OD1-ND2 2.93Å; D484-N486 WeakPolarHBondContact OD2-CB 3.47Å; D484-N486 PolarHBondContact OD2-ND2 2.83Å; N486-T531 PolarHBondContact O-OG1 3.26Å
487V73.1Confident84.9Confident60 Ų6062.7 Ų62.736%0.36433%0.333SS..  trans-100124.4178.7-176.40000109.3L485 T529 L538L485-V487 PolarHBondContact O-N 3.42Å; V487-T529 HydrophobicContact CG1-CG2 4.26Å; V487-T529 HydrophobicContact CG2-CG2 3.62Å; V487-T529 WeakPolarHBondContact CG2-O 3.31Å; V487-L538 HydrophobicContact CG1-CD2 3.99Å
488E69.3Low85.1Confident141 Ų14162.7 Ų62.766%0.65933%0.333SS*.  trans-69.5124.6167.8-71.1-172.8175.700109.3E490 A491E488-E490 PolarHBondContact O-N 2.92Å; E488-E490 VanDerWaalsContact O-N 3.09Å; E488-A491 WeakPolarHBondContact O-CB 3.37Å; E488-A491 PolarHBondContact O-N 3.3Å; E488-A491 VanDerWaalsContact O-N 3.13Å
489P63.4Low85.2Confident135 Ų13562.6 Ų62.688%0.87733%0.332SS*.THydrogen-bonded Turntrans-66.7-13.3-173.323-31.3000114.4
490E66.9Low85.3Confident184 Ų18459.2 Ų59.286%0.8632%0.319SS*.THydrogen-bonded Turntrans-960178.3-64.6-173.8168.400113.6E488E488-E490 PolarHBondContact O-N 2.92Å; E488-E490 VanDerWaalsContact O-N 3.09Å
491A71.1Confident85.2Confident26 Ų2663.5 Ų63.522%0.21535%0.346CS..PPolyproline II helixtrans-68.3134.3-176.500000111.8E488 Q493 L538E488-A491 WeakPolarHBondContact O-CB 3.37Å; E488-A491 PolarHBondContact O-N 3.3Å; E488-A491 VanDerWaalsContact O-N 3.13Å; A491-Q493 PolarHBondContact O-N 3.35Å; A491-L538 HydrophobicContact CB-CD1 3.73Å; A491-L538 HydrophobicContact CB-CD2 3.93Å; A491-L538 HydrophobicContact CB-CG 3.92Å
492P78.7Confident85.1Confident112 Ų11264 Ų6473%0.72735%0.348SS*.PPolyproline II helixtrans-65.1136.1-179.426.3-33000110.6
493Q84.3Confident84.9Confident173 Ų17372 Ų7281%0.80839%0.391SS*.PPolyproline II helixtrans-67.5138.6175.7-72.4-166.7-13.500110.8A491A491-Q493 PolarHBondContact O-N 3.35Å
494P89.2Confident84.7Confident22 Ų2274 Ų7414%0.14340%0.402CS..PPolyproline II helixtrans-67.5145.2178.626.6-31.5000110.7L538 N553 D555P494-L538 HydrophobicContact CG-CB 4.5Å; P494-N553 HydrophobicContact CG-CB 3.86Å; P494-D555 WeakPolarHBondContact CA-OD2 3.43Å
495T91.6Very high84.6Confident79 Ų7981.7 Ų81.749%0.48543%0.43SS..  trans-90.3-27.9176.260.80000112.3D555T495-D555 WeakPolarHBondContact CA-OD1 3.5Å; T495-D555 PolarHBondContact N-OD1 2.75Å; T495-D555 PolarHBondContact OG1-OD1 2.87Å
496G93.4Very high84.8Confident0 Ų080.8 Ų80.80%043%0.427CS..  trans-72137.8176.600000112.4N553 T554 D555 D581G496-N553 WeakPolarHBondContact O-CA 3.46Å; G496-T554 CarbonylContact C-O 3.57Å; G496-T554 VanDerWaalsContact C-O 3.25Å; G496-T554 WeakPolarHBondContact CA-O 3.37Å; G496-T554 PolarHBondContact O-N 2.98Å; G496-T554 VanDerWaalsContact O-O 3.14Å; G496-D555 PolarHBondContact N-OD1 2.89Å; G496-D581 CarbonylContact C-O 3.46Å; G496-D581 VanDerWaalsContact CA-O 3.29Å; G496-D581 WeakPolarHBondContact CA-O 3.48Å
497K95.1Very high85.3Confident91 Ų9182.3 Ų82.340%0.39643%0.431SS..EExtended strand (participates in β ladder)trans-144149.1177.666.7173.7-175.2169.80112.8L552 N553 A580 D581K497-L552 CarbonylContact C-O 3.51Å; K497-L552 VanDerWaalsContact CA-O 3.28Å; K497-L552 WeakPolarHBondContact CA-O 3.46Å; K497-N553 WeakPolarHBondContact CB-OD1 3.2Å; K497-A580 CarbonylContact O-C 3.6Å; K497-A580 WeakPolarHBondContact O-CA 3.38Å; K497-D581 HydrophobicContact CG-CB 4.19Å; K497-D581 PolarHBondContact N-O 3.48Å; K497-D581 PolarHBondContact O-N 3.24Å
498V96.4Very high86.3Confident0 Ų083.6 Ų83.60%043%0.429CS..EExtended strand (participates in β ladder)trans-134127.4171.1-175.60000109.1F500 T551 L552 A560 V564 A578 E579 A580 F582 L681V498-F500 HydrophobicContact CG1-CD1 4.26Å; V498-T551 WeakPolarHBondContact O-CA 3.35Å; V498-L552 HydrophobicContact CB-CB 4.46Å; V498-L552 PolarHBondContact N-O 2.81Å; V498-L552 PolarHBondContact O-N 2.77Å; V498-A560 HydrophobicContact CG2-CB 3.93Å; V498-V564 HydrophobicContact CG1-CG2 4.4Å; V498-A578 HydrophobicContact CG1-CB 3.92Å; V498-E579 CarbonylContact C-O 3.55Å; V498-E579 WeakPolarHBondContact CA-O 3Å; V498-A580 HydrophobicContact CG2-CB 4.08Å; V498-F582 HydrophobicContact CG2-CE2 3.55Å; V498-F582 HydrophobicContact CG2-CZ 3.54Å; V498-L681 HydrophobicContact CG2-CD1 4.47Å; V498-L681 HydrophobicContact CG2-CD2 4Å
499T95.3Very high87.4Confident20 Ų2077 Ų7712%0.12340%0.399CS..EExtended strand (participates in β ladder)trans-121133.517951.90000110.7I550 T551 A578 E579T499-I550 WeakPolarHBondContact CA-O 3.34Å; T499-T551 HydrophobicContact CG2-CG2 3.87Å; T499-A578 WeakPolarHBondContact O-CA 3.28Å; T499-E579 PolarHBondContact N-O 2.67Å; T499-E579 PolarHBondContact O-N 3.13Å; T499-E579 PolarHBondContact OG1-O 3.11Å
500F94.8Very high88.8Confident7 Ų771.3 Ų71.33%0.03136%0.361CS..EExtended strand (participates in β ladder)trans-152163.2175.157.6-87.3000109.9V498 I502 E549 I550 L552 V564 L567 L576 Q577 A578V498-F500 HydrophobicContact CG1-CD1 4.26Å; F500-I502 HydrophobicContact CD2-CG2 3.81Å; F500-I502 HydrophobicContact CE2-CG2 3.74Å; F500-E549 WeakPolarHBondContact O-CA 3.46Å; F500-I550 HydrophobicContact CD2-CB 4.38Å; F500-I550 HydrophobicContact CE1-CB 4.33Å; F500-I550 HydrophobicContact CE1-CG2 4.04Å; F500-I550 HydrophobicContact CE2-CB 3.91Å; F500-I550 HydrophobicContact CE2-CD1 3.95Å; F500-I550 HydrophobicContact CE2-CG1 4.41Å; F500-I550 HydrophobicContact CE2-CG2 4.21Å; F500-I550 HydrophobicContact CZ-CB 3.88Å; F500-I550 HydrophobicContact CZ-CD1 4.28Å; F500-I550 HydrophobicContact CZ-CG2 3.67Å; F500-I550 PolarHBondContact N-O 2.78Å; F500-I550 VanDerWaalsContact N-O 3.12Å; F500-I550 PolarHBondContact O-N 3.28Å; F500-L552 HydrophobicContact CE1-CD1 3.83Å; F500-L552 HydrophobicContact CE1-CG 4.03Å; F500-L552 HydrophobicContact CZ-CD1 4.39Å; F500-V564 HydrophobicContact CD1-CG2 4.22Å; F500-V564 HydrophobicContact CE1-CG2 3.73Å; F500-V564 HydrophobicContact CZ-CG2 4.34Å; F500-L567 HydrophobicContact CE2-CD2 3.89Å; F500-L567 HydrophobicContact CZ-CD2 3.85Å; F500-L576 HydrophobicContact CB-CD1 4.3Å; F500-L576 HydrophobicContact CD2-CD1 4.02Å; F500-L576 HydrophobicContact CD2-CD2 3.87Å; F500-L576 HydrophobicContact CD2-CG 4.41Å; F500-L576 HydrophobicContact CE2-CD2 4.24Å; F500-L576 HydrophobicContact CG-CD1 4.5Å; F500-L576 HydrophobicContact CG-CD2 4.23Å; F500-Q577 WeakPolarHBondContact CB-O 3.44Å; F500-A578 HydrophobicContact CB-CB 4.08Å
501T92.7Very high90.1Very high91 Ų9166.8 Ų66.856%0.55834%0.341SS*.EExtended strand (participates in β ladder)trans-112.2136.7-17952.10000110E549T501-E549 HydrophobicContact CG2-CB 4.13Å; T501-E549 HydrophobicContact CG2-CG 4.38Å
502I91.4Very high91.3Very high11 Ų1165.7 Ų65.76%0.05633%0.332CS..  trans-120.3143.5173.463.2161.4000110.1F500 D504 V509 M543 G548 I550 L571 I573F500-I502 HydrophobicContact CD2-CG2 3.81Å; F500-I502 HydrophobicContact CE2-CG2 3.74Å; I502-D504 VanDerWaalsContact C-N 3.35Å; I502-D504 HydrophobicContact CD1-CB 4.11Å; I502-D504 PolarHBondContact O-N 2.84Å; I502-V509 HydrophobicContact CD1-CG2 3.7Å; I502-M543 HydrophobicContact CD1-CE 3.95Å; I502-M543 HydrophobicContact CG1-CE 3.98Å; I502-G548 PolarHBondContact N-O 3.15Å; I502-I550 HydrophobicContact CD1-CD1 3.45Å; I502-I550 VanDerWaalsContact CD1-CD1 3.45Å; I502-I550 HydrophobicContact CD1-CG1 4.37Å; I502-I550 HydrophobicContact CG1-CD1 3.74Å; I502-I550 HydrophobicContact CG1-CG1 4.25Å; I502-I550 HydrophobicContact CG2-CD1 4.25Å; I502-L571 HydrophobicContact CD1-CD1 3.85Å; I502-I573 HydrophobicContact CG2-CD1 3.97Å
503N88.2Confident92Very high168 Ų16860.4 Ų60.490%0.89830%0.297SS*.  trans-98.659.2174.3-171.121.2000110.4
504D86.7Confident92.5Very high46 Ų4655 Ų5525%0.24627%0.273CS..SBendtrans-142.2165.9-177-119.2-46.4000111.9I502 R508 L571I502-D504 VanDerWaalsContact C-N 3.35Å; I502-D504 HydrophobicContact CD1-CB 4.11Å; I502-D504 PolarHBondContact O-N 2.84Å; D504-R508 WeakPolarHBondContact OD1-CD 3.46Å; D504-R508 IonicContact OD1-CZ 3.75Å; D504-R508 IonicContact OD1-NE 3.18Å; D504-R508 IonicContact OD1-NH1 3.06Å; D504-R508 PolarHBondContact OD1-NH1 2.95Å; D504-R508 IonicContact OD2-CZ 2.98Å; D504-R508 IonicContact OD2-NH1 3.86Å; D504-R508 PolarHBondContact OD2-NH1 2.82Å; D504-L571 HydrophobicContact CB-CD1 4.3Å; D504-L571 HydrophobicContact CB-CD2 4.47Å
505R88.9Confident92.6Very high181 Ų18159.2 Ų59.268%0.68329%0.291SS*.  trans-77.6140.2-176.9-60.6-178.5-174173.32.5111.2Q507 R508R505-Q507 PolarHBondContact O-N 2.59Å; R505-Q507 VanDerWaalsContact O-N 3.09Å; R505-R508 WeakPolarHBondContact O-CB 3.23Å; R505-R508 PolarHBondContact O-N 3.27Å
506P90.1Very high92.8Very high41 Ų4156.8 Ų56.827%0.26628%0.275SS..Hα-helixtrans-52.9-34174.8-27.834.4000114R508 V509 V510 P526 M543P506-R508 PolarHBondContact O-N 3.47Å; P506-V509 WeakPolarHBondContact O-CB 3.05Å; P506-V509 PolarHBondContact O-N 2.69Å; P506-V509 VanDerWaalsContact O-N 3.07Å; P506-V510 WeakPolarHBondContact O-CG2 3.39Å; P506-V510 PolarHBondContact O-N 3.02Å; P506-P526 HydrophobicContact CB-CG 4.4Å; P506-M543 HydrophobicContact CB-SD 3.94Å; P506-M543 HydrophobicContact CG-CE 4.02Å; P506-M543 HydrophobicContact CG-SD 3.95Å
507Q91.7Very high92.8Very high140 Ų14057 Ų5765%0.65428%0.276SS*.Hα-helixtrans-61.7-27.6177.6-64.8118.5-12.400113.6R505 M511R505-Q507 PolarHBondContact O-N 2.59Å; R505-Q507 VanDerWaalsContact O-N 3.09Å; Q507-M511 WeakPolarHBondContact O-CB 3.5Å; Q507-M511 PolarHBondContact O-N 3.1Å
508R92.9Very high92.6Very high88 Ų8853.8 Ų53.833%0.33226%0.263SS..Hα-helixtrans-73.5-35.3175.4-69.1-172.470.6-174.9-0.5111.6D504 R505 P506 V510 M511 W512 F570 L571D504-R508 WeakPolarHBondContact OD1-CD 3.46Å; D504-R508 IonicContact OD1-CZ 3.75Å; D504-R508 IonicContact OD1-NE 3.18Å; D504-R508 IonicContact OD1-NH1 3.06Å; D504-R508 PolarHBondContact OD1-NH1 2.95Å; D504-R508 IonicContact OD2-CZ 2.98Å; D504-R508 IonicContact OD2-NH1 3.86Å; D504-R508 PolarHBondContact OD2-NH1 2.82Å; R505-R508 WeakPolarHBondContact O-CB 3.23Å; R505-R508 PolarHBondContact O-N 3.27Å; P506-R508 PolarHBondContact O-N 3.47Å; R508-V510 VanDerWaalsContact C-N 3.34Å; R508-M511 WeakPolarHBondContact O-CB 3.42Å; R508-M511 PolarHBondContact O-N 3.47Å; R508-W512 PolarHBondContact O-N 3.42Å; R508-F570 WeakPolarHBondContact O-CE1 3.36Å; R508-L571 HydrophobicContact CB-CD2 3.93Å
509V91.9Very high92.2Very high2 Ų255.5 Ų55.51%0.01227%0.272CS..Hα-helixtrans-64.4-43.1172.4-176.30000110I502 P506 M511 W512 L513 P526 M543 I550I502-V509 HydrophobicContact CD1-CG2 3.7Å; P506-V509 WeakPolarHBondContact O-CB 3.05Å; P506-V509 PolarHBondContact O-N 2.69Å; P506-V509 VanDerWaalsContact O-N 3.07Å; V509-M511 VanDerWaalsContact C-N 3.33Å; V509-M511 PolarHBondContact O-N 3.24Å; V509-W512 WeakPolarHBondContact O-CB 2.96Å; V509-W512 PolarHBondContact O-N 2.78Å; V509-L513 HydrophobicContact CG1-CD1 4.39Å; V509-L513 WeakPolarHBondContact O-CG 3.44Å; V509-L513 PolarHBondContact O-N 2.93Å; V509-P526 HydrophobicContact CB-CB 4.42Å; V509-P526 HydrophobicContact CG1-CB 4.13Å; V509-M543 HydrophobicContact CG2-SD 3.87Å; V509-I550 HydrophobicContact CG2-CD1 4.18Å
510V93.9Very high91.4Very high15 Ų1560.9 Ų60.99%0.09130%0.3CS..Hα-helixtrans-59.9-42.5173.1173.60000111.6P506 R508 W512 L513 N514 I523 P526P506-V510 WeakPolarHBondContact O-CG2 3.39Å; P506-V510 PolarHBondContact O-N 3.02Å; R508-V510 VanDerWaalsContact C-N 3.34Å; V510-W512 VanDerWaalsContact C-N 3.35Å; V510-W512 PolarHBondContact O-N 2.82Å; V510-L513 PolarHBondContact O-N 3.12Å; V510-N514 WeakPolarHBondContact CG1-ND2 3.36Å; V510-N514 PolarHBondContact O-N 2.82Å; V510-N514 PolarHBondContact O-ND2 3.13Å; V510-I523 HydrophobicContact CG1-CG1 4.45Å; V510-I523 WeakPolarHBondContact CG1-O 3.34Å; V510-P526 HydrophobicContact CG2-CB 4.35Å
511M93.9Very high90.8Very high89 Ų8968.4 Ų68.444%0.43834%0.335SS..Hα-helixtrans-62.4-41.8175.1-172.5171.279.200111.9Q507 R508 V509 N514 Q515 F570Q507-M511 WeakPolarHBondContact O-CB 3.5Å; Q507-M511 PolarHBondContact O-N 3.1Å; R508-M511 WeakPolarHBondContact O-CB 3.42Å; R508-M511 PolarHBondContact O-N 3.47Å; V509-M511 VanDerWaalsContact C-N 3.33Å; V509-M511 PolarHBondContact O-N 3.24Å; M511-N514 PolarHBondContact O-N 3.37Å; M511-Q515 WeakPolarHBondContact O-CG 3.27Å; M511-Q515 PolarHBondContact O-N 2.91Å; M511-Q515 VanDerWaalsContact O-N 3.16Å; M511-F570 HydrophobicContact CB-CZ 4.44Å; M511-F570 HydrophobicContact CE-CE1 4.07Å; M511-F570 HydrophobicContact CE-CE2 4.28Å; M511-F570 HydrophobicContact CE-CZ 3.39Å; M511-F570 HydrophobicContact CG-CZ 4.21Å
512W95.4Very high90.3Very high4 Ų466.8 Ų66.82%0.01534%0.337CS..Hα-helixtrans-61.8-45.6175.6173.580.1000112F480 R508 V509 V510 N514 Q515 N516 F517 I541 L563 S566 L567 F570F480-W512 HydrophobicContact CD2-CZ2 4.48Å; F480-W512 HydrophobicContact CE2-CH2 4.26Å; F480-W512 AromaticContact CE2-CZ2 3.74Å; F480-W512 HydrophobicContact CE2-CZ2 3.74Å; R508-W512 PolarHBondContact O-N 3.42Å; V509-W512 WeakPolarHBondContact O-CB 2.96Å; V509-W512 PolarHBondContact O-N 2.78Å; V510-W512 VanDerWaalsContact C-N 3.35Å; V510-W512 PolarHBondContact O-N 2.82Å; W512-N514 PolarHBondContact O-N 3.39Å; W512-Q515 PolarHBondContact O-N 3.28Å; W512-N516 PolarHBondContact NE1-ND2 3.07Å; W512-N516 WeakPolarHBondContact O-CB 3.3Å; W512-N516 PolarHBondContact O-N 3.23Å; W512-N516 PolarHBondContact O-ND2 3.48Å; W512-F517 HydrophobicContact CH2-CE2 4.1Å; W512-F517 HydrophobicContact CZ3-CE2 4.18Å; W512-I541 HydrophobicContact CZ3-CD1 4.38Å; W512-L563 HydrophobicContact CH2-CB 4.49Å; W512-L563 HydrophobicContact CH2-CD2 3.65Å; W512-L563 HydrophobicContact CZ2-CD2 4.3Å; W512-S566 PolarHBondContact NE1-OG 2.8Å; W512-L567 HydrophobicContact CB-CD1 4.27Å; W512-L567 HydrophobicContact CD2-CD1 3.76Å; W512-L567 HydrophobicContact CE3-CD1 3.98Å; W512-L567 HydrophobicContact CG-CD1 3.88Å; W512-L567 HydrophobicContact CZ2-CB 4.21Å; W512-F570 HydrophobicContact CB-CD1 3.64Å; W512-F570 HydrophobicContact CB-CE1 3.59Å; W512-F570 HydrophobicContact CB-CG 4.17Å; W512-F570 HydrophobicContact CB-CZ 4.07Å; W512-F570 AromaticContact CD1-CD1 3.84Å; W512-F570 AromaticContact CD1-CG 3.53Å; W512-F570 HydrophobicContact CG-CB 4.47Å; W512-F570 HydrophobicContact CG-CD1 4.06Å; W512-F570 HydrophobicContact CG-CE1 4.45Å; W512-F570 HydrophobicContact CG-CG 4.2Å
513L94.6Very high90.2Very high0 Ų067.3 Ų67.30%034%0.339CS..Hα-helixtrans-59.1-48.2177.2-73166.5000111.3V509 V510 Q515 N516 F517 I523 V528 F530 I541V509-L513 HydrophobicContact CG1-CD1 4.39Å; V509-L513 WeakPolarHBondContact O-CG 3.44Å; V509-L513 PolarHBondContact O-N 2.93Å; V510-L513 PolarHBondContact O-N 3.12Å; L513-Q515 PolarHBondContact O-N 3.48Å; L513-N516 PolarHBondContact O-N 2.82Å; L513-F517 HydrophobicContact CD2-CD2 3.95Å; L513-F517 HydrophobicContact CD2-CE2 3.73Å; L513-F517 WeakPolarHBondContact O-CB 3.48Å; L513-F517 PolarHBondContact O-N 3.42Å; L513-I523 HydrophobicContact CB-CD1 3.53Å; L513-I523 HydrophobicContact CB-CG1 4.39Å; L513-I523 HydrophobicContact CD1-CD1 3.49Å; L513-I523 VanDerWaalsContact CD1-CD1 3.49Å; L513-I523 HydrophobicContact CG-CD1 4.05Å; L513-V528 HydrophobicContact CD1-CG2 4.02Å; L513-V528 HydrophobicContact CD2-CG2 4.29Å; L513-F530 HydrophobicContact CD2-CE2 4.4Å; L513-I541 HydrophobicContact CD2-CD1 3.81Å
514N93.6Very high90.3Very high59 Ų5966.6 Ų66.632%0.31634%0.335SS..Hα-helixtrans-63.3-24.1178.9-76.8-65.2000113.8V510 M511 W512 L519 G522 I523V510-N514 WeakPolarHBondContact CG1-ND2 3.36Å; V510-N514 PolarHBondContact O-N 2.82Å; V510-N514 PolarHBondContact O-ND2 3.13Å; M511-N514 PolarHBondContact O-N 3.37Å; W512-N514 PolarHBondContact O-N 3.39Å; N514-L519 WeakPolarHBondContact OD1-CD1 3.37Å; N514-G522 WeakPolarHBondContact OD1-CA 3.48Å; N514-I523 PolarHBondContact ND2-O 3.03Å; N514-I523 PolarHBondContact OD1-N 3.03Å
515Q93.1Very high90.5Very high111 Ų11168.1 Ų68.152%0.51935%0.347SS..Hα-helixtrans-89.5-30.8178.1-72.6179.6600113.6M511 W512 L513M511-Q515 WeakPolarHBondContact O-CG 3.27Å; M511-Q515 PolarHBondContact O-N 2.91Å; M511-Q515 VanDerWaalsContact O-N 3.16Å; W512-Q515 PolarHBondContact O-N 3.28Å; L513-Q515 PolarHBondContact O-N 3.48Å
516N94.8Very high90.4Very high28 Ų2860.1 Ų60.115%0.1532%0.318CS..Hα-helixtrans-104.7-10.9-170.2-67.8-81.6000114.1P478 F480 W512 L513P478-N516 WeakPolarHBondContact CB-O 3.32Å; F480-N516 WeakPolarHBondContact CA-O 3.29Å; F480-N516 WeakPolarHBondContact CB-O 3.47Å; F480-N516 HydrophobicContact CD2-CB 3.84Å; F480-N516 HydrophobicContact CE2-CB 4.22Å; F480-N516 PolarHBondContact N-O 2.89Å; W512-N516 PolarHBondContact NE1-ND2 3.07Å; W512-N516 WeakPolarHBondContact O-CB 3.3Å; W512-N516 PolarHBondContact O-N 3.23Å; W512-N516 PolarHBondContact O-ND2 3.48Å; L513-N516 PolarHBondContact O-N 2.82Å
517F93.7Very high90.4Very high5 Ų562.5 Ų62.52%0.02233%0.328CS..BIsolated β-bridgetrans-113.4154.7175.1-70.8-99.9000111.2F480 Y483 W512 L513 L519 F530 L539 I541 L563F480-F517 HydrophobicContact CB-CD1 3.66Å; F480-F517 HydrophobicContact CB-CD2 4.18Å; F480-F517 HydrophobicContact CB-CE1 3.43Å; F480-F517 VanDerWaalsContact CB-CE1 3.43Å; F480-F517 HydrophobicContact CB-CE2 3.98Å; F480-F517 HydrophobicContact CB-CG 4.03Å; F480-F517 HydrophobicContact CB-CZ 3.61Å; F480-F517 HydrophobicContact CD2-CD2 4.15Å; F480-F517 HydrophobicContact CD2-CE1 4.47Å; F480-F517 AromaticContact CD2-CE2 3.57Å; F480-F517 HydrophobicContact CD2-CE2 3.57Å; F480-F517 AromaticContact CD2-CZ 3.77Å; F480-F517 HydrophobicContact CD2-CZ 3.77Å; F480-F517 HydrophobicContact CE2-CE2 4.42Å; F480-F517 HydrophobicContact CG-CE1 4.12Å; F480-F517 HydrophobicContact CG-CE2 4.05Å; F480-F517 AromaticContact CG-CZ 3.78Å; F480-F517 HydrophobicContact CG-CZ 3.78Å; F480-F517 WeakPolarHBondContact O-CD1 3.39Å; Y483-F517 HydrophobicContact CD2-CE1 4.11Å; Y483-F517 HydrophobicContact CG-CE1 4.06Å; W512-F517 HydrophobicContact CH2-CE2 4.1Å; W512-F517 HydrophobicContact CZ3-CE2 4.18Å; L513-F517 HydrophobicContact CD2-CD2 3.95Å; L513-F517 HydrophobicContact CD2-CE2 3.73Å; L513-F517 WeakPolarHBondContact O-CB 3.48Å; L513-F517 PolarHBondContact O-N 3.42Å; F517-L519 HydrophobicContact CB-CD2 3.69Å; F517-L519 HydrophobicContact CB-CG 4.02Å; F517-L519 PolarHBondContact O-N 3.16Å; F517-F530 HydrophobicContact CB-CE1 4.48Å; F517-F530 HydrophobicContact CD1-CD1 4.18Å; F517-F530 AromaticContact CD1-CE1 3.76Å; F517-F530 HydrophobicContact CD1-CE1 3.76Å; F517-F530 HydrophobicContact CD1-CE2 4.12Å; F517-F530 AromaticContact CD1-CZ 3.74Å; F517-F530 HydrophobicContact CD1-CZ 3.74Å; F517-F530 HydrophobicContact CE1-CD1 4.45Å; F517-F530 HydrophobicContact CE1-CD2 4.1Å; F517-F530 HydrophobicContact CE1-CE1 4.28Å; F517-F530 AromaticContact CE1-CE2 3.91Å; F517-F530 HydrophobicContact CE1-CE2 3.91Å; F517-F530 HydrophobicContact CE1-CG 4.36Å; F517-F530 HydrophobicContact CE1-CZ 4.02Å; F517-F530 HydrophobicContact CG-CE1 4.25Å; F517-F530 HydrophobicContact CG-CZ 4Å; F517-F530 HydrophobicContact CZ-CE2 4.22Å; F517-L539 HydrophobicContact CE1-CD2 4.31Å; F517-L539 HydrophobicContact CZ-CD2 4.27Å; F517-I541 HydrophobicContact CZ-CD1 4.42Å; F517-L563 HydrophobicContact CE2-CD2 4.36Å; F517-L563 HydrophobicContact CZ-CD2 3.87Å
518L90.9Very high90.4Very high23 Ų2356.4 Ų56.412%0.1230%0.301CS..  trans-90.189.1177.1-160.5125.5000110.2L386 V388 L477 P478L386-L518 HydrophobicContact CB-CD1 3.91Å; L386-L518 HydrophobicContact CB-CD2 4.46Å; L386-L518 HydrophobicContact CD1-CD1 4.29Å; V388-L518 HydrophobicContact CG2-CD2 3.77Å; L477-L518 HydrophobicContact CD2-CD1 4.42Å; P478-L518 HydrophobicContact CG-CB 4.13Å; P478-L518 HydrophobicContact CG-CD1 4.24Å
519L87.8Confident90.4Very high36 Ų3654.4 Ų54.419%0.18830%0.298CS..  trans-101.9133.1-174.8-48.5-179.9000111.1L485 N514 F517 I523 F530L485-L519 HydrophobicContact CD1-CD2 3.7Å; L485-L519 HydrophobicContact CG-CD2 4.13Å; N514-L519 WeakPolarHBondContact OD1-CD1 3.37Å; F517-L519 HydrophobicContact CB-CD2 3.69Å; F517-L519 HydrophobicContact CB-CG 4.02Å; F517-L519 PolarHBondContact O-N 3.16Å; L519-I523 HydrophobicContact CD1-CD1 4.19Å; L519-I523 HydrophobicContact CD1-CG1 3.85Å; L519-I523 HydrophobicContact CD1-CG2 4.18Å; L519-F530 HydrophobicContact CD2-CE1 3.86Å; L519-F530 HydrophobicContact CD2-CZ 4.35Å
520L78Confident90.4Very high134 Ų13454.3 Ų54.370%0.70230%0.298SS*.SBendtrans-70.1-41.2175.8-72.3169.4000111.9
521E82.6Confident90.3Very high165 Ų16554.7 Ų54.777%0.77130%0.3SS*.SBendtrans-126.5142.8172.9-67.2-175.9176.900108.2
522G82.6Confident90.1Very high57 Ų5751.4 Ų51.459%0.58829%0.286SS*.  trans-63.7141.7179.700000111N514N514-G522 WeakPolarHBondContact OD1-CA 3.48Å
523I89.9Confident89.8Confident21 Ų2152.2 Ų52.211%0.10829%0.29CS..  trans-90.9148.2174.857.5169.5000110.6L485 V510 L513 N514 L519 V528L485-I523 HydrophobicContact CD1-CG2 4.02Å; V510-I523 HydrophobicContact CG1-CG1 4.45Å; V510-I523 WeakPolarHBondContact CG1-O 3.34Å; L513-I523 HydrophobicContact CB-CD1 3.53Å; L513-I523 HydrophobicContact CB-CG1 4.39Å; L513-I523 HydrophobicContact CD1-CD1 3.49Å; L513-I523 VanDerWaalsContact CD1-CD1 3.49Å; L513-I523 HydrophobicContact CG-CD1 4.05Å; N514-I523 PolarHBondContact ND2-O 3.03Å; N514-I523 PolarHBondContact OD1-N 3.03Å; L519-I523 HydrophobicContact CD1-CD1 4.19Å; L519-I523 HydrophobicContact CD1-CG1 3.85Å; L519-I523 HydrophobicContact CD1-CG2 4.18Å; I523-V528 HydrophobicContact CD1-CG1 3.72Å; I523-V528 HydrophobicContact CG2-CG1 4.33Å
524D90.3Very high89.4Confident154 Ų15456.4 Ų56.482%0.82431%0.306SS*.  trans-108.2-12.1179.3-68.8-38.5000113.2
525T89.4Confident88.7Confident78 Ų7856.9 Ų56.948%0.47933%0.325SS..  trans-120.7145.8-17758.60000111.6D527T525-D527 VanDerWaalsContact C-N 3.25Å
526P86.4Confident87.9Confident12 Ų1253.9 Ų53.98%0.07832%0.324CS..SBendtrans-76.2-15.317532.8-36.2000112.8P506 V509 V510 V528 M543P506-P526 HydrophobicContact CB-CG 4.4Å; V509-P526 HydrophobicContact CB-CB 4.42Å; V509-P526 HydrophobicContact CG1-CB 4.13Å; V510-P526 HydrophobicContact CG2-CB 4.35Å; P526-V528 PolarHBondContact O-N 3.46Å; P526-M543 HydrophobicContact CB-CB 3.93Å; P526-M543 HydrophobicContact CG-CB 3.81Å
527D91.3Very high87.4Confident92 Ų9254.4 Ų54.449%0.49234%0.336SS..  trans-81.9100.8178.7-59.2-33.5000109.8T525 I541 S542 M543T525-D527 VanDerWaalsContact C-N 3.25Å; D527-I541 CarbonylContact C-O 3.58Å; D527-I541 VanDerWaalsContact CA-O 3.31Å; D527-I541 WeakPolarHBondContact CA-O 3.41Å; D527-S542 WeakPolarHBondContact OD1-CA 3.44Å; D527-S542 WeakPolarHBondContact OD1-CB 3.41Å; D527-M543 PolarHBondContact OD1-N 3.42Å
528V92.3Very high87.3Confident12 Ų1254.9 Ų54.97%0.07334%0.339CS..EExtended strand (participates in β ladder)trans-139.7149.8-175.8-700000111.1L485 L513 I523 P526 F530 T540 I541L485-V528 HydrophobicContact CD2-CB 4.28Å; L485-V528 HydrophobicContact CD2-CG1 4.31Å; L513-V528 HydrophobicContact CD1-CG2 4.02Å; L513-V528 HydrophobicContact CD2-CG2 4.29Å; I523-V528 HydrophobicContact CD1-CG1 3.72Å; I523-V528 HydrophobicContact CG2-CG1 4.33Å; P526-V528 PolarHBondContact O-N 3.46Å; V528-F530 HydrophobicContact CB-CE2 4.01Å; V528-F530 HydrophobicContact CB-CZ 4.27Å; V528-F530 HydrophobicContact CG2-CD2 4.22Å; V528-F530 HydrophobicContact CG2-CE2 3.37Å; V528-F530 HydrophobicContact CG2-CZ 3.88Å; V528-T540 WeakPolarHBondContact O-CA 3.05Å; V528-I541 HydrophobicContact CG2-CB 4.02Å; V528-I541 PolarHBondContact N-O 2.78Å; V528-I541 PolarHBondContact O-N 3.48Å
529T92.6Very high87.4Confident46 Ų4653.9 Ų53.928%0.28233%0.333SS..EExtended strand (participates in β ladder)trans-125.7133.8172.4-59.40000109V487 L538 L539 T540V487-T529 HydrophobicContact CG1-CG2 4.26Å; V487-T529 HydrophobicContact CG2-CG2 3.62Å; V487-T529 WeakPolarHBondContact CG2-O 3.31Å; T529-L538 HydrophobicContact CG2-CD2 4.48Å; T529-L539 CarbonylContact C-O 3.59Å; T529-L539 VanDerWaalsContact CA-O 3.32Å; T529-L539 WeakPolarHBondContact CA-O 3.47Å; T529-T540 WeakPolarHBondContact CG2-OG1 3.37Å; T529-T540 PolarHBondContact OG1-OG1 2.81Å
530F92Very high87.7Confident0 Ų053.7 Ų53.70%033%0.334CS..EExtended strand (participates in β ladder)trans-120.5151.9179-58.8-87.2000111.2D484 L485 L513 F517 L519 V528 L538 L539 I541D484-F530 CarbonylContact O-C 3.52Å; D484-F530 WeakPolarHBondContact O-CA 3.37Å; L485-F530 HydrophobicContact CD2-CD1 4.02Å; L485-F530 HydrophobicContact CD2-CE1 3.64Å; L485-F530 HydrophobicContact CD2-CZ 4.1Å; L485-F530 HydrophobicContact CG-CD1 4Å; L485-F530 HydrophobicContact CG-CE1 3.64Å; L485-F530 HydrophobicContact CG-CZ 4.49Å; L513-F530 HydrophobicContact CD2-CE2 4.4Å; F517-F530 HydrophobicContact CB-CE1 4.48Å; F517-F530 HydrophobicContact CD1-CD1 4.18Å; F517-F530 AromaticContact CD1-CE1 3.76Å; F517-F530 HydrophobicContact CD1-CE1 3.76Å; F517-F530 HydrophobicContact CD1-CE2 4.12Å; F517-F530 AromaticContact CD1-CZ 3.74Å; F517-F530 HydrophobicContact CD1-CZ 3.74Å; F517-F530 HydrophobicContact CE1-CD1 4.45Å; F517-F530 HydrophobicContact CE1-CD2 4.1Å; F517-F530 HydrophobicContact CE1-CE1 4.28Å; F517-F530 AromaticContact CE1-CE2 3.91Å; F517-F530 HydrophobicContact CE1-CE2 3.91Å; F517-F530 HydrophobicContact CE1-CG 4.36Å; F517-F530 HydrophobicContact CE1-CZ 4.02Å; F517-F530 HydrophobicContact CG-CE1 4.25Å; F517-F530 HydrophobicContact CG-CZ 4Å; F517-F530 HydrophobicContact CZ-CE2 4.22Å; L519-F530 HydrophobicContact CD2-CE1 3.86Å; L519-F530 HydrophobicContact CD2-CZ 4.35Å; V528-F530 HydrophobicContact CB-CE2 4.01Å; V528-F530 HydrophobicContact CB-CZ 4.27Å; V528-F530 HydrophobicContact CG2-CD2 4.22Å; V528-F530 HydrophobicContact CG2-CE2 3.37Å; V528-F530 HydrophobicContact CG2-CZ 3.88Å; F530-L538 WeakPolarHBondContact O-CA 3.14Å; F530-L539 HydrophobicContact CB-CB 4.36Å; F530-L539 HydrophobicContact CD2-CD2 4.13Å; F530-L539 HydrophobicContact CD2-CG 4.39Å; F530-L539 PolarHBondContact N-O 2.96Å; F530-L539 PolarHBondContact O-N 3.49Å; F530-I541 HydrophobicContact CE2-CD1 4.29Å
531T90.8Very high88.5Confident23 Ų2347.5 Ų47.514%0.14130%0.301CS..EExtended strand (participates in β ladder)trans-104126.6168.6-510000109.3D484 N486 L533D484-T531 PolarHBondContact N-O 2.91Å; D484-T531 PolarHBondContact O-N 2.8Å; N486-T531 PolarHBondContact O-OG1 3.26Å; T531-L533 PolarHBondContact O-N 2.98Å
532S90.3Very high89Confident19 Ų1941.3 Ų41.313%0.13328%0.276CS..EExtended strand (participates in β ladder)trans-71124173.61750000110.6R534 G536 G537S532-R534 VanDerWaalsContact C-N 3.28Å; S532-R534 PolarHBondContact O-N 3.22Å; S532-R534 PolarHBondContact OG-N 3.42Å; S532-G536 VanDerWaalsContact O-CA 3.25Å; S532-G536 WeakPolarHBondContact O-CA 3.1Å; S532-G536 PolarHBondContact O-N 2.88Å; S532-G537 VanDerWaalsContact CB-O 3.27Å; S532-G537 WeakPolarHBondContact CB-O 3.28Å; S532-G537 PolarHBondContact N-O 2.89Å
533L88.1Confident89.4Confident21 Ų2139 Ų3911%0.1125%0.25CS..THydrogen-bonded Turntrans-75.8-17178.5-59.5176.5000113.2V388 M482 D484 T531V388-L533 HydrophobicContact CG1-CD1 3.36Å; V388-L533 HydrophobicContact CG1-CD2 3.89Å; V388-L533 HydrophobicContact CG1-CG 4.16Å; V388-L533 HydrophobicContact CG2-CD1 4.49Å; M482-L533 HydrophobicContact CE-CB 3.69Å; M482-L533 HydrophobicContact CE-CD1 4.26Å; M482-L533 WeakPolarHBondContact O-CB 3.45Å; M482-L533 VanDerWaalsContact O-CG 3.3Å; M482-L533 WeakPolarHBondContact O-CG 3.31Å; M482-L533 PolarHBondContact O-N 3.45Å; M482-L533 HydrophobicContact SD-CB 4.5Å; M482-L533 HydrophobicContact SD-CD1 4.12Å; D484-L533 HydrophobicContact CB-CD2 4.08Å; T531-L533 PolarHBondContact O-N 2.98Å
534R86.8Confident89.4Confident88 Ų8842.1 Ų42.133%0.33227%0.267SS..THydrogen-bonded Turntrans-81.4-41.3-178.6-60.9-172.4-170.2104.50.5112.3P446 K448 D449 M482 S532P446-R534 PolarHBondContact O-NE 2.87Å; P446-R534 PolarHBondContact O-NH2 3.45Å; P446-R534 VanDerWaalsContact O-NH2 3.15Å; K448-R534 PolarHBondContact O-NH2 2.86Å; D449-R534 IonicContact OD1-CZ 3.63Å; D449-R534 VanDerWaalsContact OD1-CZ 3.23Å; D449-R534 IonicContact OD1-NH1 3.81Å; D449-R534 PolarHBondContact OD1-NH1 3.26Å; D449-R534 IonicContact OD1-NH2 3.76Å; D449-R534 PolarHBondContact OD1-NH2 3.25Å; D449-R534 IonicContact OD2-CZ 3.95Å; D449-R534 IonicContact OD2-NH1 3.19Å; D449-R534 PolarHBondContact OD2-NH1 2.97Å; D449-R534 IonicContact OD2-NH2 2.87Å; M482-R534 HydrophobicContact CB-CG 4.33Å; M482-R534 HydrophobicContact CE-CG 4.01Å; S532-R534 VanDerWaalsContact C-N 3.28Å; S532-R534 PolarHBondContact O-N 3.22Å; S532-R534 PolarHBondContact OG-N 3.42Å
535G78.4Confident88.7Confident69 Ų6939.5 Ų39.571%0.71126%0.26SS*.THydrogen-bonded Turntrans-132.7-3-171.100000115.5G537G535-G537 PolarHBondContact O-N 3.04Å
536G76.8Confident88.2Confident48 Ų4842.4 Ų42.450%0.49528%0.278SS..  trans760.8-179.500000115.3S532S532-G536 VanDerWaalsContact O-CA 3.25Å; S532-G536 WeakPolarHBondContact O-CA 3.1Å; S532-G536 PolarHBondContact O-N 2.88Å
537G85.2Confident88Confident39 Ų3944.9 Ų44.940%0.40230%0.296SS..  trans-67.8149.8175.900000112.5S532 G535S532-G537 VanDerWaalsContact CB-O 3.27Å; S532-G537 WeakPolarHBondContact CB-O 3.28Å; S532-G537 PolarHBondContact N-O 2.89Å; G535-G537 PolarHBondContact O-N 3.04Å
538L91.4Very high87.7Confident16 Ų1641 Ų418%0.08428%0.277CS..EExtended strand (participates in β ladder)trans-88148.1175.3-65.8-179.2000111.8V487 A491 P494 T529 F530 T554V487-L538 HydrophobicContact CG1-CD2 3.99Å; A491-L538 HydrophobicContact CB-CD1 3.73Å; A491-L538 HydrophobicContact CB-CD2 3.93Å; A491-L538 HydrophobicContact CB-CG 3.92Å; P494-L538 HydrophobicContact CG-CB 4.5Å; T529-L538 HydrophobicContact CG2-CD2 4.48Å; F530-L538 WeakPolarHBondContact O-CA 3.14Å; L538-T554 PolarHBondContact O-OG1 3.35Å
539L93.2Very high87.8Confident1 Ų143.5 Ų43.51%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-126116.4168.5166.964.2000108.3Y483 F517 T529 F530 I541 N553 T554 L559 L563Y483-L539 HydrophobicContact CD1-CD2 4.37Å; F517-L539 HydrophobicContact CE1-CD2 4.31Å; F517-L539 HydrophobicContact CZ-CD2 4.27Å; T529-L539 CarbonylContact C-O 3.59Å; T529-L539 VanDerWaalsContact CA-O 3.32Å; T529-L539 WeakPolarHBondContact CA-O 3.47Å; F530-L539 HydrophobicContact CB-CB 4.36Å; F530-L539 HydrophobicContact CD2-CD2 4.13Å; F530-L539 HydrophobicContact CD2-CG 4.39Å; F530-L539 PolarHBondContact N-O 2.96Å; F530-L539 PolarHBondContact O-N 3.49Å; L539-I541 HydrophobicContact CD1-CG1 4.16Å; L539-I541 HydrophobicContact CD2-CD1 4.29Å; L539-I541 HydrophobicContact CG-CD1 4.5Å; L539-I541 HydrophobicContact CG-CG1 4.2Å; L539-N553 WeakPolarHBondContact CA-O 3.22Å; L539-T554 HydrophobicContact CD1-CG2 4.36Å; L539-L559 HydrophobicContact CB-CD2 4.46Å; L539-L559 HydrophobicContact CD2-CD2 4.28Å; L539-L563 HydrophobicContact CD1-CD1 3.53Å; L539-L563 HydrophobicContact CD2-CD1 3.83Å; L539-L563 HydrophobicContact CD2-CD2 4.42Å; L539-L563 HydrophobicContact CG-CD1 4.33Å
540T93.9Very high87.9Confident33 Ų3341.4 Ų41.420%0.20228%0.275CS..EExtended strand (participates in β ladder)trans-110.4128.8171.7-57.50000109.8V528 T529 L552 N553V528-T540 WeakPolarHBondContact O-CA 3.05Å; T529-T540 WeakPolarHBondContact CG2-OG1 3.37Å; T529-T540 PolarHBondContact OG1-OG1 2.81Å; T540-L552 CarbonylContact O-C 3.55Å; T540-L552 WeakPolarHBondContact O-CA 3.26Å; T540-N553 PolarHBondContact N-O 3.45Å; T540-N553 PolarHBondContact O-N 3.46Å
541I94.3Very high88.1Confident4 Ų442.6 Ų42.62%0.02128%0.283CS..EExtended strand (participates in β ladder)trans-114.1129.5174.1-55.8-179.8000106.5W512 L513 F517 D527 V528 F530 L539 L552W512-I541 HydrophobicContact CZ3-CD1 4.38Å; L513-I541 HydrophobicContact CD2-CD1 3.81Å; F517-I541 HydrophobicContact CZ-CD1 4.42Å; D527-I541 CarbonylContact C-O 3.58Å; D527-I541 VanDerWaalsContact CA-O 3.31Å; D527-I541 WeakPolarHBondContact CA-O 3.41Å; V528-I541 HydrophobicContact CG2-CB 4.02Å; V528-I541 PolarHBondContact N-O 2.78Å; V528-I541 PolarHBondContact O-N 3.48Å; F530-I541 HydrophobicContact CE2-CD1 4.29Å; L539-I541 HydrophobicContact CD1-CG1 4.16Å; L539-I541 HydrophobicContact CD2-CD1 4.29Å; L539-I541 HydrophobicContact CG-CD1 4.5Å; L539-I541 HydrophobicContact CG-CG1 4.2Å; I541-L552 HydrophobicContact CB-CD2 4.23Å; I541-L552 HydrophobicContact CD1-CD2 4.43Å; I541-L552 HydrophobicContact CG1-CD2 3.85Å; I541-L552 HydrophobicContact CG2-CD2 3.88Å
542S92.6Very high88.3Confident35 Ų3541.8 Ų41.825%0.24528%0.277CS..EExtended strand (participates in β ladder)trans-142.2146.9176.356.40000111.5D527 I550 T551D527-S542 WeakPolarHBondContact OD1-CA 3.44Å; D527-S542 WeakPolarHBondContact OD1-CB 3.41Å; S542-I550 WeakPolarHBondContact O-CA 3.34Å; S542-T551 PolarHBondContact N-O 2.81Å; S542-T551 PolarHBondContact O-N 3.21Å; S542-T551 PolarHBondContact OG-O 3.39Å
543M91.9Very high88.5Confident7 Ų743 Ų433%0.03428%0.282CS..EExtended strand (participates in β ladder)trans-131.5119.1179.8-174.8-177.7-178.700111.5I502 P506 V509 P526 D527 S545 E549 I550I502-M543 HydrophobicContact CD1-CE 3.95Å; I502-M543 HydrophobicContact CG1-CE 3.98Å; P506-M543 HydrophobicContact CB-SD 3.94Å; P506-M543 HydrophobicContact CG-CE 4.02Å; P506-M543 HydrophobicContact CG-SD 3.95Å; V509-M543 HydrophobicContact CG2-SD 3.87Å; P526-M543 HydrophobicContact CB-CB 3.93Å; P526-M543 HydrophobicContact CG-CB 3.81Å; D527-M543 PolarHBondContact OD1-N 3.42Å; M543-S545 PolarHBondContact O-N 2.82Å; M543-S545 VanDerWaalsContact O-N 3.16Å; M543-E549 WeakPolarHBondContact CA-O 3.24Å; M543-I550 HydrophobicContact CB-CG1 4.13Å; M543-I550 HydrophobicContact CG-CG1 3.87Å; M543-I550 HydrophobicContact SD-CG1 4.39Å
544L88.8Confident88.8Confident88 Ų8842.3 Ų42.346%0.46128%0.279SS..EExtended strand (participates in β ladder)trans-73.4108.6173.2-73.9166.2000110T546 S547 G548 E549L544-T546 PolarHBondContact O-N 3.46Å; L544-T546 VanDerWaalsContact O-N 3.08Å; L544-S547 WeakPolarHBondContact CB-OG 3.46Å; L544-S547 PolarHBondContact O-N 2.86Å; L544-G548 WeakPolarHBondContact O-CA 3.31Å; L544-G548 PolarHBondContact O-N 2.82Å; L544-E549 HydrophobicContact CB-CB 4.37Å; L544-E549 HydrophobicContact CD1-CB 4.23Å; L544-E549 WeakPolarHBondContact CD1-OE2 3.31Å; L544-E549 PolarHBondContact N-O 3.43Å
545S77.1Confident89.1Confident98 Ų9841.8 Ų41.869%0.68528%0.283SS*.THydrogen-bonded Turntrans-62-19.7-175.5-65.40000114.4M543M543-S545 PolarHBondContact O-N 2.82Å; M543-S545 VanDerWaalsContact O-N 3.16Å
546T77.8Confident89.8Confident139 Ų13942 Ų4285%0.85327%0.268SS*.THydrogen-bonded Turntrans-88.5-34.7-178.3480000113.7L544L544-T546 PolarHBondContact O-N 3.46Å; L544-T546 VanDerWaalsContact O-N 3.08Å
547S82.8Confident90.6Very high64 Ų6440.2 Ų40.245%0.44825%0.247SC..THydrogen-bonded Turntrans-106.5-16.3-17755.70000113.7L544 E549L544-S547 WeakPolarHBondContact CB-OG 3.46Å; L544-S547 PolarHBondContact O-N 2.86Å; S547-E549 PolarHBondContact O-N 3.25Å; S547-E549 WeakPolarHBondContact OG-CB 3.29Å; S547-E549 PolarHBondContact OG-N 2.81Å
548G85.6Confident90.9Very high10 Ų1041.1 Ų41.110%0.10324%0.242CC..THydrogen-bonded Turntrans70.714.3-170.700000113.2I502 L544I502-G548 PolarHBondContact N-O 3.15Å; L544-G548 WeakPolarHBondContact O-CA 3.31Å; L544-G548 PolarHBondContact O-N 2.82Å
549E93.3Very high91Very high65 Ų6540.6 Ų40.630%0.30424%0.24SC..EExtended strand (participates in β ladder)trans-77.1125.5177.9-175.6175.1-152.800110.2F500 T501 M543 L544 S547F500-E549 WeakPolarHBondContact O-CA 3.46Å; T501-E549 HydrophobicContact CG2-CB 4.13Å; T501-E549 HydrophobicContact CG2-CG 4.38Å; M543-E549 WeakPolarHBondContact CA-O 3.24Å; L544-E549 HydrophobicContact CB-CB 4.37Å; L544-E549 HydrophobicContact CD1-CB 4.23Å; L544-E549 WeakPolarHBondContact CD1-OE2 3.31Å; L544-E549 PolarHBondContact N-O 3.43Å; S547-E549 PolarHBondContact O-N 3.25Å; S547-E549 WeakPolarHBondContact OG-CB 3.29Å; S547-E549 PolarHBondContact OG-N 2.81Å
550I95Very high91Very high2 Ų240.6 Ų40.61%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-102.8132.2174.1-66.4178000108.3T499 F500 I502 V509 S542 M543 L552 L567T499-I550 WeakPolarHBondContact CA-O 3.34Å; F500-I550 HydrophobicContact CD2-CB 4.38Å; F500-I550 HydrophobicContact CE1-CB 4.33Å; F500-I550 HydrophobicContact CE1-CG2 4.04Å; F500-I550 HydrophobicContact CE2-CB 3.91Å; F500-I550 HydrophobicContact CE2-CD1 3.95Å; F500-I550 HydrophobicContact CE2-CG1 4.41Å; F500-I550 HydrophobicContact CE2-CG2 4.21Å; F500-I550 HydrophobicContact CZ-CB 3.88Å; F500-I550 HydrophobicContact CZ-CD1 4.28Å; F500-I550 HydrophobicContact CZ-CG2 3.67Å; F500-I550 PolarHBondContact N-O 2.78Å; F500-I550 VanDerWaalsContact N-O 3.12Å; F500-I550 PolarHBondContact O-N 3.28Å; I502-I550 HydrophobicContact CD1-CD1 3.45Å; I502-I550 VanDerWaalsContact CD1-CD1 3.45Å; I502-I550 HydrophobicContact CD1-CG1 4.37Å; I502-I550 HydrophobicContact CG1-CD1 3.74Å; I502-I550 HydrophobicContact CG1-CG1 4.25Å; I502-I550 HydrophobicContact CG2-CD1 4.25Å; V509-I550 HydrophobicContact CG2-CD1 4.18Å; S542-I550 WeakPolarHBondContact O-CA 3.34Å; M543-I550 HydrophobicContact CB-CG1 4.13Å; M543-I550 HydrophobicContact CG-CG1 3.87Å; M543-I550 HydrophobicContact SD-CG1 4.39Å; I550-L552 HydrophobicContact CG2-CD2 3.88Å; I550-L552 HydrophobicContact CG2-CG 4.27Å; I550-L567 HydrophobicContact CD1-CD2 3.73Å
551T95.5Very high91Very high26 Ų2639 Ų3916%0.1623%0.23CC..EExtended strand (participates in β ladder)trans-116.6120.8172-55.80000109.4V498 T499 S542 N553V498-T551 WeakPolarHBondContact O-CA 3.35Å; T499-T551 HydrophobicContact CG2-CG2 3.87Å; S542-T551 PolarHBondContact N-O 2.81Å; S542-T551 PolarHBondContact O-N 3.21Å; S542-T551 PolarHBondContact OG-O 3.39Å; T551-N553 WeakPolarHBondContact CG2-OD1 3.32Å
552L96.1Very high91Very high5 Ų540.4 Ų40.43%0.02624%0.238CC..EExtended strand (participates in β ladder)trans-103.3117171.4-52.4179.9000108.3K497 V498 F500 T540 I541 I550 L563 V564K497-L552 CarbonylContact C-O 3.51Å; K497-L552 VanDerWaalsContact CA-O 3.28Å; K497-L552 WeakPolarHBondContact CA-O 3.46Å; V498-L552 HydrophobicContact CB-CB 4.46Å; V498-L552 PolarHBondContact N-O 2.81Å; V498-L552 PolarHBondContact O-N 2.77Å; F500-L552 HydrophobicContact CE1-CD1 3.83Å; F500-L552 HydrophobicContact CE1-CG 4.03Å; F500-L552 HydrophobicContact CZ-CD1 4.39Å; T540-L552 CarbonylContact O-C 3.55Å; T540-L552 WeakPolarHBondContact O-CA 3.26Å; I541-L552 HydrophobicContact CB-CD2 4.23Å; I541-L552 HydrophobicContact CD1-CD2 4.43Å; I541-L552 HydrophobicContact CG1-CD2 3.85Å; I541-L552 HydrophobicContact CG2-CD2 3.88Å; I550-L552 HydrophobicContact CG2-CD2 3.88Å; I550-L552 HydrophobicContact CG2-CG 4.27Å; L552-L563 HydrophobicContact CD1-CB 3.95Å; L552-L563 HydrophobicContact CD1-CD1 4.37Å; L552-V564 HydrophobicContact CD1-CG2 3.89Å
553N95.1Very high91.1Very high45 Ų4538.8 Ų38.824%0.24123%0.226CC..EExtended strand (participates in β ladder)trans-107.3116.8174.1-56.9-41.8000109.6P494 G496 K497 L539 T540 T551P494-N553 HydrophobicContact CG-CB 3.86Å; G496-N553 WeakPolarHBondContact O-CA 3.46Å; K497-N553 WeakPolarHBondContact CB-OD1 3.2Å; L539-N553 WeakPolarHBondContact CA-O 3.22Å; T540-N553 PolarHBondContact N-O 3.45Å; T540-N553 PolarHBondContact O-N 3.46Å; T551-N553 WeakPolarHBondContact CG2-OD1 3.32Å
554T94.2Very high91.3Very high7 Ų738.4 Ų38.44%0.04322%0.224CC..  trans-163.6146.3176.9-174.70000109G496 L538 L539 D556 A560 F582G496-T554 CarbonylContact C-O 3.57Å; G496-T554 VanDerWaalsContact C-O 3.25Å; G496-T554 WeakPolarHBondContact CA-O 3.37Å; G496-T554 PolarHBondContact O-N 2.98Å; G496-T554 VanDerWaalsContact O-O 3.14Å; L538-T554 PolarHBondContact O-OG1 3.35Å; L539-T554 HydrophobicContact CD1-CG2 4.36Å; T554-D556 VanDerWaalsContact C-N 3.29Å; T554-D556 WeakPolarHBondContact CG2-O 3.44Å; T554-D556 PolarHBondContact OG1-N 3.37Å; T554-A560 HydrophobicContact CG2-CB 3.86Å; T554-F582 VanDerWaalsContact O-CE1 3.27Å; T554-F582 WeakPolarHBondContact O-CE1 3.36Å
555D92.4Very high91.5Very high76 Ų7636 Ų3641%0.40621%0.211SC..SBendtrans-82.3-9.8174.5-66-46.4000112.7P494 T495 G496P494-D555 WeakPolarHBondContact CA-OD2 3.43Å; T495-D555 WeakPolarHBondContact CA-OD1 3.5Å; T495-D555 PolarHBondContact N-OD1 2.75Å; T495-D555 PolarHBondContact OG1-OD1 2.87Å; G496-D555 PolarHBondContact N-OD1 2.89Å
556D92.4Very high92.3Very high75 Ų7531.7 Ų31.740%0.40118%0.181SC..  trans-92.1107.2178.7-172.5-20.5000110.9T554 D558 L559 A560T554-D556 VanDerWaalsContact C-N 3.29Å; T554-D556 WeakPolarHBondContact CG2-O 3.44Å; T554-D556 PolarHBondContact OG1-N 3.37Å; D556-D558 VanDerWaalsContact C-N 3.33Å; D556-D558 PolarHBondContact O-N 2.95Å; D556-D558 WeakPolarHBondContact OD1-CB 3.11Å; D556-D558 PolarHBondContact OD1-N 2.92Å; D556-L559 HydrophobicContact CB-CB 3.88Å; D556-L559 PolarHBondContact OD1-N 3.43Å; D556-L559 VanDerWaalsContact OD1-N 3.15Å; D556-A560 PolarHBondContact O-N 3.18Å; D556-A560 VanDerWaalsContact O-N 3.1Å
557I93.1Very high93.1Very high10 Ų1025.4 Ų25.45%0.05114%0.142CC..Hα-helixtrans-67.3-31.5179.9-168.2169.9000112.9G561 F582 Y585 R677 L681I557-G561 PolarHBondContact O-N 2.95Å; I557-F582 HydrophobicContact CB-CD1 4.25Å; I557-F582 HydrophobicContact CB-CE1 4.07Å; I557-F582 HydrophobicContact CB-CE2 4.43Å; I557-F582 HydrophobicContact CB-CZ 4.17Å; I557-F582 HydrophobicContact CD1-CD2 4.12Å; I557-F582 HydrophobicContact CD1-CE2 4.29Å; I557-F582 HydrophobicContact CG1-CD2 4.2Å; I557-F582 HydrophobicContact CG1-CE1 4.45Å; I557-F582 HydrophobicContact CG1-CE2 3.93Å; I557-F582 HydrophobicContact CG1-CZ 4.07Å; I557-Y585 HydrophobicContact CD1-CD1 3.84Å; I557-Y585 HydrophobicContact CD1-CE1 3.76Å; I557-Y585 HydrophobicContact CG2-CE1 4.38Å; I557-Y585 HydrophobicContact CG2-CE2 4.46Å; I557-R677 HydrophobicContact CD1-CB 4.02Å; I557-R677 HydrophobicContact CG1-CB 4.31Å; I557-R677 HydrophobicContact CG2-CG 4.38Å; I557-L681 HydrophobicContact CD1-CD1 4.21Å; I557-L681 HydrophobicContact CG1-CD1 4.13Å; I557-L681 HydrophobicContact CG1-CD2 4.47Å
558D91.6Very high93.6Very high57 Ų5722.4 Ų22.431%0.30512%0.121SC..Hα-helixtrans-70.5-45.5179.8-69.1-53.2000109.5D556 A560 G561 D562 R677D556-D558 VanDerWaalsContact C-N 3.33Å; D556-D558 PolarHBondContact O-N 2.95Å; D556-D558 WeakPolarHBondContact OD1-CB 3.11Å; D556-D558 PolarHBondContact OD1-N 2.92Å; D558-A560 PolarHBondContact O-N 3.32Å; D558-G561 WeakPolarHBondContact O-CA 3.26Å; D558-G561 PolarHBondContact O-N 2.85Å; D558-G561 VanDerWaalsContact O-N 3.14Å; D558-D562 PolarHBondContact O-N 3.5Å; D558-R677 VanDerWaalsContact CG-NE 3.35Å; D558-R677 WeakPolarHBondContact OD1-CG 3.32Å; D558-R677 IonicContact OD1-CZ 3.84Å; D558-R677 IonicContact OD1-NE 2.82Å; D558-R677 PolarHBondContact OD1-NE 2.8Å; D558-R677 IonicContact OD1-NH2 3.88Å; D558-R677 IonicContact OD2-CZ 2.89Å; D558-R677 IonicContact OD2-NE 3.32Å; D558-R677 PolarHBondContact OD2-NE 3.4Å; D558-R677 IonicContact OD2-NH2 3.21Å; D558-R677 PolarHBondContact OD2-NH2 2.98Å
559L93.4Very high93.9Very high6 Ų626.5 Ų26.53%0.03115%0.148CC..Hα-helixtrans-58.1-46.2173.7177.156.5000111.9F480 Y483 L539 D556 G561 D562 L563F480-L559 HydrophobicContact CD1-CD1 4.27Å; F480-L559 HydrophobicContact CE1-CD1 4.27Å; Y483-L559 HydrophobicContact CE1-CD1 4.17Å; Y483-L559 HydrophobicContact CE1-CD2 3.56Å; Y483-L559 HydrophobicContact CE2-CD1 4.24Å; Y483-L559 WeakPolarHBondContact OH-CD1 3.38Å; L539-L559 HydrophobicContact CB-CD2 4.46Å; L539-L559 HydrophobicContact CD2-CD2 4.28Å; D556-L559 HydrophobicContact CB-CB 3.88Å; D556-L559 PolarHBondContact OD1-N 3.43Å; D556-L559 VanDerWaalsContact OD1-N 3.15Å; L559-G561 VanDerWaalsContact C-N 3.28Å; L559-G561 PolarHBondContact O-N 2.87Å; L559-D562 PolarHBondContact O-N 2.72Å; L559-L563 HydrophobicContact CD1-CD1 4.08Å; L559-L563 HydrophobicContact CD1-CG 4.06Å; L559-L563 HydrophobicContact CG-CD1 3.99Å; L559-L563 HydrophobicContact CG-CG 4.45Å; L559-L563 VanDerWaalsContact O-CG 3.24Å; L559-L563 WeakPolarHBondContact O-CG 3.46Å; L559-L563 PolarHBondContact O-N 2.84Å
560A95.1Very high93.9Very high0 Ų025.9 Ų25.90%014%0.144CC..Hα-helixtrans-58.6-41.8176.600000111.6V498 T554 D556 D558 V564 F582 L681V498-A560 HydrophobicContact CG2-CB 3.93Å; T554-A560 HydrophobicContact CG2-CB 3.86Å; D556-A560 PolarHBondContact O-N 3.18Å; D556-A560 VanDerWaalsContact O-N 3.1Å; D558-A560 PolarHBondContact O-N 3.32Å; A560-V564 VanDerWaalsContact O-CG2 3.27Å; A560-V564 WeakPolarHBondContact O-CG2 3.42Å; A560-V564 PolarHBondContact O-N 2.9Å; A560-F582 HydrophobicContact CB-CZ 3.85Å; A560-L681 HydrophobicContact CB-CD2 3.9Å
561G93.9Very high93.8Very high1 Ų126.3 Ų26.31%0.0115%0.146CC..Hα-helixtrans-60.4-48.7173.800000112.5I557 D558 L559 L563 V564 Q565I557-G561 PolarHBondContact O-N 2.95Å; D558-G561 WeakPolarHBondContact O-CA 3.26Å; D558-G561 PolarHBondContact O-N 2.85Å; D558-G561 VanDerWaalsContact O-N 3.14Å; L559-G561 VanDerWaalsContact C-N 3.28Å; L559-G561 PolarHBondContact O-N 2.87Å; G561-L563 VanDerWaalsContact C-N 3.32Å; G561-L563 PolarHBondContact O-N 2.8Å; G561-V564 PolarHBondContact O-N 3.14Å; G561-Q565 VanDerWaalsContact O-CG 3.28Å; G561-Q565 WeakPolarHBondContact O-CG 3.25Å; G561-Q565 PolarHBondContact O-N 2.82Å
562D93.1Very high93.7Very high32 Ų3229.1 Ų29.117%0.17117%0.172CC..Hα-helixtrans-64.5-35.7-178.7-72.9-16.4000112.9F480 D558 L559 S566 R680F480-D562 HydrophobicContact CE1-CB 4.15Å; F480-D562 HydrophobicContact CZ-CB 4.44Å; D558-D562 PolarHBondContact O-N 3.5Å; L559-D562 PolarHBondContact O-N 2.72Å; D562-S566 WeakPolarHBondContact O-CB 3.36Å; D562-S566 PolarHBondContact O-N 3.11Å; D562-R680 IonicContact OD1-CZ 2.75Å; D562-R680 IonicContact OD1-NE 2.82Å; D562-R680 IonicContact OD1-NH2 3.24Å; D562-R680 PolarHBondContact OD1-NH2 2.75Å
563L95.3Very high93.5Very high1 Ų130.9 Ų30.91%0.00518%0.182CC..Hα-helixtrans-64.9-47.2173-67.1166.7000111.2F480 W512 F517 L539 L552 L559 G561 S566 L567F480-L563 HydrophobicContact CD1-CD2 4.25Å; F480-L563 HydrophobicContact CD2-CD2 4.14Å; F480-L563 HydrophobicContact CE1-CD2 3.93Å; F480-L563 HydrophobicContact CE1-CG 4.38Å; F480-L563 HydrophobicContact CE2-CD2 3.82Å; F480-L563 HydrophobicContact CG-CD2 4.36Å; F480-L563 HydrophobicContact CZ-CD2 3.71Å; F480-L563 HydrophobicContact CZ-CG 4.29Å; W512-L563 HydrophobicContact CH2-CB 4.49Å; W512-L563 HydrophobicContact CH2-CD2 3.65Å; W512-L563 HydrophobicContact CZ2-CD2 4.3Å; F517-L563 HydrophobicContact CE2-CD2 4.36Å; F517-L563 HydrophobicContact CZ-CD2 3.87Å; L539-L563 HydrophobicContact CD1-CD1 3.53Å; L539-L563 HydrophobicContact CD2-CD1 3.83Å; L539-L563 HydrophobicContact CD2-CD2 4.42Å; L539-L563 HydrophobicContact CG-CD1 4.33Å; L552-L563 HydrophobicContact CD1-CB 3.95Å; L552-L563 HydrophobicContact CD1-CD1 4.37Å; L559-L563 HydrophobicContact CD1-CD1 4.08Å; L559-L563 HydrophobicContact CD1-CG 4.06Å; L559-L563 HydrophobicContact CG-CD1 3.99Å; L559-L563 HydrophobicContact CG-CG 4.45Å; L559-L563 VanDerWaalsContact O-CG 3.24Å; L559-L563 WeakPolarHBondContact O-CG 3.46Å; L559-L563 PolarHBondContact O-N 2.84Å; G561-L563 VanDerWaalsContact C-N 3.32Å; G561-L563 PolarHBondContact O-N 2.8Å; L563-S566 PolarHBondContact O-N 3.43Å; L563-L567 VanDerWaalsContact O-CB 3.24Å; L563-L567 WeakPolarHBondContact O-CB 3.23Å; L563-L567 PolarHBondContact O-N 3.38Å
564V95.3Very high93.2Very high0 Ų036.8 Ų36.80%021%0.207CC..Hα-helixtrans-61-49.6178.1171.30000111V498 F500 L552 A560 G561 L567 A568 L576 V683V498-V564 HydrophobicContact CG1-CG2 4.4Å; F500-V564 HydrophobicContact CD1-CG2 4.22Å; F500-V564 HydrophobicContact CE1-CG2 3.73Å; F500-V564 HydrophobicContact CZ-CG2 4.34Å; L552-V564 HydrophobicContact CD1-CG2 3.89Å; A560-V564 VanDerWaalsContact O-CG2 3.27Å; A560-V564 WeakPolarHBondContact O-CG2 3.42Å; A560-V564 PolarHBondContact O-N 2.9Å; G561-V564 PolarHBondContact O-N 3.14Å; V564-L567 PolarHBondContact O-N 2.86Å; V564-A568 VanDerWaalsContact O-CB 3.31Å; V564-A568 WeakPolarHBondContact O-CB 3.47Å; V564-A568 PolarHBondContact O-N 2.86Å; V564-L576 HydrophobicContact CG1-CD2 3.77Å; V564-V683 HydrophobicContact CG1-CG2 4.15Å
565Q92.8Very high93.1Very high37 Ų3740 Ų4017%0.17322%0.224CC..Hα-helixtrans-63.3-43.9179.6-64.7-60.7-42.200111.7G561 S569 R680 R682G561-Q565 VanDerWaalsContact O-CG 3.28Å; G561-Q565 WeakPolarHBondContact O-CG 3.25Å; G561-Q565 PolarHBondContact O-N 2.82Å; Q565-S569 VanDerWaalsContact O-CB 3.3Å; Q565-S569 WeakPolarHBondContact O-CB 3.35Å; Q565-S569 PolarHBondContact O-N 3Å; Q565-R680 PolarHBondContact NE2-O 2.99Å; Q565-R682 PolarHBondContact NE2-O 3.4Å
566S94.4Very high93.1Very high8 Ų836.8 Ų36.86%0.05621%0.207CC..Hα-helixtrans-63.9-44.4178.7178.20000111.9W512 D562 L563 F570W512-S566 PolarHBondContact NE1-OG 2.8Å; D562-S566 WeakPolarHBondContact O-CB 3.36Å; D562-S566 PolarHBondContact O-N 3.11Å; L563-S566 PolarHBondContact O-N 3.43Å; S566-F570 WeakPolarHBondContact O-CB 3.32Å; S566-F570 PolarHBondContact O-N 2.93Å
567L94.3Very high93.1Very high6 Ų636.5 Ų36.53%0.03120%0.204CC..Hα-helixtrans-66.8-44.9179.9-177.665000111.4F500 W512 I550 L563 V564 S569 F570 L571F500-L567 HydrophobicContact CE2-CD2 3.89Å; F500-L567 HydrophobicContact CZ-CD2 3.85Å; W512-L567 HydrophobicContact CB-CD1 4.27Å; W512-L567 HydrophobicContact CD2-CD1 3.76Å; W512-L567 HydrophobicContact CE3-CD1 3.98Å; W512-L567 HydrophobicContact CG-CD1 3.88Å; W512-L567 HydrophobicContact CZ2-CB 4.21Å; I550-L567 HydrophobicContact CD1-CD2 3.73Å; L563-L567 VanDerWaalsContact O-CB 3.24Å; L563-L567 WeakPolarHBondContact O-CB 3.23Å; L563-L567 PolarHBondContact O-N 3.38Å; V564-L567 PolarHBondContact O-N 2.86Å; L567-S569 PolarHBondContact O-N 3.33Å; L567-F570 PolarHBondContact O-N 3.03Å; L567-L571 HydrophobicContact CD1-CD1 3.93Å; L567-L571 HydrophobicContact CD1-CG 4.2Å; L567-L571 HydrophobicContact CG-CD1 4.03Å; L567-L571 WeakPolarHBondContact O-CB 3.49Å; L567-L571 WeakPolarHBondContact O-CG 3.45Å; L567-L571 PolarHBondContact O-N 3.31Å
568A93.6Very high93.2Very high1 Ų136.2 Ų36.21%0.00820%0.202CC..Hα-helixtrans-62.4-42.7177.600000112.1V564 F570 L571 A572 I573 L576 V683V564-A568 VanDerWaalsContact O-CB 3.31Å; V564-A568 WeakPolarHBondContact O-CB 3.47Å; V564-A568 PolarHBondContact O-N 2.86Å; A568-F570 PolarHBondContact O-N 3Å; A568-L571 PolarHBondContact O-N 3.49Å; A568-A572 WeakPolarHBondContact O-CA 3.39Å; A568-A572 PolarHBondContact O-N 2.92Å; A568-I573 HydrophobicContact CB-CB 4.21Å; A568-I573 PolarHBondContact O-N 2.81Å; A568-L576 HydrophobicContact CB-CD2 4.49Å; A568-V683 HydrophobicContact CB-CB 4.29Å; A568-V683 HydrophobicContact CB-CG1 4.17Å; A568-V683 HydrophobicContact CB-CG2 3.62Å
569S91.9Very high93.3Very high96 Ų9639 Ų3967%0.67121%0.214SC*.Hα-helixtrans-60.5-44.5174.7179.90000111.8Q565 L567 L571 A572Q565-S569 VanDerWaalsContact O-CB 3.3Å; Q565-S569 WeakPolarHBondContact O-CB 3.35Å; Q565-S569 PolarHBondContact O-N 3Å; L567-S569 PolarHBondContact O-N 3.33Å; S569-L571 PolarHBondContact O-N 2.85Å; S569-A572 PolarHBondContact O-N 3.38Å
570F93.7Very high93.4Very high53 Ų5338.8 Ų38.823%0.23221%0.213CC..Hα-helixtrans-65.7-37178.9178.2-98.4000113.7R508 M511 W512 S566 L567 A568 A572R508-F570 WeakPolarHBondContact O-CE1 3.36Å; M511-F570 HydrophobicContact CB-CZ 4.44Å; M511-F570 HydrophobicContact CE-CE1 4.07Å; M511-F570 HydrophobicContact CE-CE2 4.28Å; M511-F570 HydrophobicContact CE-CZ 3.39Å; M511-F570 HydrophobicContact CG-CZ 4.21Å; W512-F570 HydrophobicContact CB-CD1 3.64Å; W512-F570 HydrophobicContact CB-CE1 3.59Å; W512-F570 HydrophobicContact CB-CG 4.17Å; W512-F570 HydrophobicContact CB-CZ 4.07Å; W512-F570 AromaticContact CD1-CD1 3.84Å; W512-F570 AromaticContact CD1-CG 3.53Å; W512-F570 HydrophobicContact CG-CB 4.47Å; W512-F570 HydrophobicContact CG-CD1 4.06Å; W512-F570 HydrophobicContact CG-CE1 4.45Å; W512-F570 HydrophobicContact CG-CG 4.2Å; S566-F570 WeakPolarHBondContact O-CB 3.32Å; S566-F570 PolarHBondContact O-N 2.93Å; L567-F570 PolarHBondContact O-N 3.03Å; A568-F570 PolarHBondContact O-N 3Å; F570-A572 VanDerWaalsContact C-N 3.3Å
571L93.3Very high93.4Very high10 Ų1041 Ų415%0.05223%0.225CC..Hα-helixtrans-84.1-6.9177.4-63.3179.7000113I502 D504 R508 L567 A568 S569 I573I502-L571 HydrophobicContact CD1-CD1 3.85Å; D504-L571 HydrophobicContact CB-CD1 4.3Å; D504-L571 HydrophobicContact CB-CD2 4.47Å; R508-L571 HydrophobicContact CB-CD2 3.93Å; L567-L571 HydrophobicContact CD1-CD1 3.93Å; L567-L571 HydrophobicContact CD1-CG 4.2Å; L567-L571 HydrophobicContact CG-CD1 4.03Å; L567-L571 WeakPolarHBondContact O-CB 3.49Å; L567-L571 WeakPolarHBondContact O-CG 3.45Å; L567-L571 PolarHBondContact O-N 3.31Å; A568-L571 PolarHBondContact O-N 3.49Å; S569-L571 PolarHBondContact O-N 2.85Å; L571-I573 HydrophobicContact CB-CD1 3.93Å; L571-I573 HydrophobicContact CB-CG1 3.87Å; L571-I573 HydrophobicContact CD1-CD1 4.02Å
572A92.1Very high93.4Very high85 Ų8541 Ų4170%0.70222%0.224SC*.THydrogen-bonded Turntrans57.545.7-17300000112.8A568 S569 F570A568-A572 WeakPolarHBondContact O-CA 3.39Å; A568-A572 PolarHBondContact O-N 2.92Å; S569-A572 PolarHBondContact O-N 3.38Å; F570-A572 VanDerWaalsContact C-N 3.3Å
573I92.3Very high93.4Very high43 Ų4342.4 Ų42.422%0.22124%0.236CC..  trans-86.6120.4174.8-60.2172.2000108.8I502 A568 L571 D575 L576I502-I573 HydrophobicContact CG2-CD1 3.97Å; A568-I573 HydrophobicContact CB-CB 4.21Å; A568-I573 PolarHBondContact O-N 2.81Å; L571-I573 HydrophobicContact CB-CD1 3.93Å; L571-I573 HydrophobicContact CB-CG1 3.87Å; L571-I573 HydrophobicContact CD1-CD1 4.02Å; I573-D575 WeakPolarHBondContact CG2-O 3.42Å; I573-L576 HydrophobicContact CG2-CB 4.11Å
574E88.9Confident93.3Very high168 Ų16846 Ų4679%0.78526%0.258SS*.SBendtrans-77.6-47179-65.2-179.6176.400112.3G684E574-G684 WeakPolarHBondContact O-CA 3.43Å; E574-G684 PolarHBondContact O-N 3.37Å
575D91.9Very high93.1Very high74 Ų7447.5 Ų47.540%0.39626%0.263SS..  trans-122.6123.5-177.2-74.2-42.1000110.2I573 V683 G684 K685I573-D575 WeakPolarHBondContact CG2-O 3.42Å; D575-V683 WeakPolarHBondContact CA-O 3.22Å; D575-G684 WeakPolarHBondContact OD1-CA 3.24Å; D575-K685 PolarHBondContact OD1-N 3.12Å; D575-K685 IonicContact OD2-NZ 3.78Å
576L92.7Very high93.1Very high10 Ų1046.3 Ų46.35%0.05226%0.258CS..BIsolated β-bridgetrans-136.7122.3177-17369.4000111.2F500 V564 A568 I573 R682 V683F500-L576 HydrophobicContact CB-CD1 4.3Å; F500-L576 HydrophobicContact CD2-CD1 4.02Å; F500-L576 HydrophobicContact CD2-CD2 3.87Å; F500-L576 HydrophobicContact CD2-CG 4.41Å; F500-L576 HydrophobicContact CE2-CD2 4.24Å; F500-L576 HydrophobicContact CG-CD1 4.5Å; F500-L576 HydrophobicContact CG-CD2 4.23Å; V564-L576 HydrophobicContact CG1-CD2 3.77Å; A568-L576 HydrophobicContact CB-CD2 4.49Å; I573-L576 HydrophobicContact CG2-CB 4.11Å; L576-R682 WeakPolarHBondContact O-CA 3.48Å; L576-R682 WeakPolarHBondContact O-CB 3.24Å; L576-V683 HydrophobicContact CB-CB 3.83Å; L576-V683 HydrophobicContact CB-CG2 4.04Å; L576-V683 HydrophobicContact CD2-CG2 4.32Å; L576-V683 PolarHBondContact N-O 2.92Å; L576-V683 PolarHBondContact O-N 3.22Å
577Q93.5Very high93Very high69 Ų6947.7 Ų47.732%0.32227%0.273SS..  trans-96.7141.3170.6-17867.9-25.700110.4F500 R682 P686 A712 G713F500-Q577 WeakPolarHBondContact CB-O 3.44Å; Q577-R682 VanDerWaalsContact OE1-NE 3.12Å; Q577-P686 VanDerWaalsContact OE1-CB 3.28Å; Q577-A712 PolarHBondContact NE2-O 3.08Å; Q577-A712 VanDerWaalsContact NE2-O 3.15Å; Q577-G713 PolarHBondContact NE2-O 3.46Å
578A94.1Very high92.9Very high3 Ų353.5 Ų53.53%0.02530%0.3CS..EExtended strand (participates in β ladder)trans-132.5149.317600000111.6V498 T499 F500 L681 R682V498-A578 HydrophobicContact CG1-CB 3.92Å; T499-A578 WeakPolarHBondContact O-CA 3.28Å; F500-A578 HydrophobicContact CB-CB 4.08Å; A578-L681 WeakPolarHBondContact CB-O 3.42Å; A578-R682 HydrophobicContact CB-CG 4.42Å; A578-R682 PolarHBondContact O-NE 2.57Å; A578-R682 PolarHBondContact O-NH2 3.48Å
579E94.4Very high92.9Very high116 Ų11653.7 Ų53.754%0.54230%0.301SS..EExtended strand (participates in β ladder)trans-102132165-175-179.8174.400108.6V498 T499 K711V498-E579 CarbonylContact C-O 3.55Å; V498-E579 WeakPolarHBondContact CA-O 3Å; T499-E579 PolarHBondContact N-O 2.67Å; T499-E579 PolarHBondContact O-N 3.13Å; T499-E579 PolarHBondContact OG1-O 3.11Å; E579-K711 CarbonylContact C-O 3.57Å; E579-K711 WeakPolarHBondContact CA-O 3.41Å
580A95Very high92.9Very high2 Ų254.7 Ų54.72%0.01729%0.29CS..EExtended strand (participates in β ladder)trans-133.3142.5-174.100000111.1K497 V498 F582 L681 K711K497-A580 CarbonylContact O-C 3.6Å; K497-A580 WeakPolarHBondContact O-CA 3.38Å; V498-A580 HydrophobicContact CG2-CB 4.08Å; A580-F582 HydrophobicContact CB-CD2 4.34Å; A580-F582 HydrophobicContact CB-CE2 4.04Å; A580-L681 HydrophobicContact CB-CD1 3.6Å; A580-K711 PolarHBondContact N-O 3.47Å; A580-K711 WeakPolarHBondContact O-CA 3.19Å; A580-K711 VanDerWaalsContact O-CB 3.26Å; A580-K711 WeakPolarHBondContact O-CB 3.48Å; A580-K711 VanDerWaalsContact O-CG 3.3Å; A580-K711 WeakPolarHBondContact O-CG 3.02Å
581D94.7Very high92.9Very high46 Ų4655.9 Ų55.925%0.24630%0.302CS..EExtended strand (participates in β ladder)trans-140.4117.3171.5-165.922.1000110.3G496 K497 K711G496-D581 CarbonylContact C-O 3.46Å; G496-D581 VanDerWaalsContact CA-O 3.29Å; G496-D581 WeakPolarHBondContact CA-O 3.48Å; K497-D581 HydrophobicContact CG-CB 4.19Å; K497-D581 PolarHBondContact N-O 3.48Å; K497-D581 PolarHBondContact O-N 3.24Å; D581-K711 VanDerWaalsContact OD1-CE 3.24Å; D581-K711 WeakPolarHBondContact OD1-CE 3.34Å; D581-K711 IonicContact OD1-NZ 3.78Å; D581-K711 PolarHBondContact OD1-NZ 3.2Å
582F94.9Very high92.8Very high0 Ų056.5 Ų56.50%031%0.306CS..  trans-128.181.8177.7-67.4-91.9000109V498 T554 I557 A560 A580 T584 Y585 F586 L681V498-F582 HydrophobicContact CG2-CE2 3.55Å; V498-F582 HydrophobicContact CG2-CZ 3.54Å; T554-F582 VanDerWaalsContact O-CE1 3.27Å; T554-F582 WeakPolarHBondContact O-CE1 3.36Å; I557-F582 HydrophobicContact CB-CD1 4.25Å; I557-F582 HydrophobicContact CB-CE1 4.07Å; I557-F582 HydrophobicContact CB-CE2 4.43Å; I557-F582 HydrophobicContact CB-CZ 4.17Å; I557-F582 HydrophobicContact CD1-CD2 4.12Å; I557-F582 HydrophobicContact CD1-CE2 4.29Å; I557-F582 HydrophobicContact CG1-CD2 4.2Å; I557-F582 HydrophobicContact CG1-CE1 4.45Å; I557-F582 HydrophobicContact CG1-CE2 3.93Å; I557-F582 HydrophobicContact CG1-CZ 4.07Å; A560-F582 HydrophobicContact CB-CZ 3.85Å; A580-F582 HydrophobicContact CB-CD2 4.34Å; A580-F582 HydrophobicContact CB-CE2 4.04Å; F582-T584 PolarHBondContact O-N 3.29Å; F582-Y585 PolarHBondContact O-N 3.24Å; F582-F586 HydrophobicContact CB-CD2 4.33Å; F582-F586 HydrophobicContact CB-CE2 4.19Å; F582-F586 WeakPolarHBondContact O-CB 2.94Å; F582-F586 WeakPolarHBondContact O-CD2 3.3Å; F582-F586 VanDerWaalsContact O-CG 3.31Å; F582-F586 WeakPolarHBondContact O-CG 3.32Å; F582-F586 PolarHBondContact O-N 3.03Å; F582-L681 HydrophobicContact CE2-CD1 3.89Å
583P92.6Very high92.7Very high63 Ų6353.6 Ų53.641%0.40928%0.279SS..Hα-helixtrans-60.8-42.2-168.6-26.335.5000114.3G587P583-G587 PolarHBondContact O-N 3.41Å
584T92.3Very high92.6Very high77 Ų7755.4 Ų55.447%0.47229%0.292SS..Hα-helixtrans-62.7-54177.947.30000110.8F582 F586 G587 E588F582-T584 PolarHBondContact O-N 3.29Å; T584-F586 PolarHBondContact O-N 2.84Å; T584-G587 PolarHBondContact O-N 3.46Å; T584-G587 VanDerWaalsContact O-N 3.09Å; T584-E588 PolarHBondContact O-N 3.12Å
585Y92.9Very high92.8Very high30 Ų3051 Ų5112%0.11827%0.272CS..Hα-helixtrans-59.1-43.2178.9-175.3-110000112.8I557 F582 G587 E588 L589 A674 R677I557-Y585 HydrophobicContact CD1-CD1 3.84Å; I557-Y585 HydrophobicContact CD1-CE1 3.76Å; I557-Y585 HydrophobicContact CG2-CE1 4.38Å; I557-Y585 HydrophobicContact CG2-CE2 4.46Å; F582-Y585 PolarHBondContact O-N 3.24Å; Y585-G587 VanDerWaalsContact C-N 3.31Å; Y585-G587 PolarHBondContact O-N 3.01Å; Y585-E588 PolarHBondContact O-N 3.42Å; Y585-L589 PolarHBondContact O-N 2.94Å; Y585-A674 HydrophobicContact CE1-CB 4.34Å; Y585-A674 WeakPolarHBondContact OH-CA 3.46Å; Y585-A674 VanDerWaalsContact OH-CB 3.31Å; Y585-A674 WeakPolarHBondContact OH-CB 3.3Å; Y585-R677 WeakPolarHBondContact OH-CD 3.42Å; Y585-R677 PolarHBondContact OH-NH1 3.39Å; Y585-R677 VanDerWaalsContact OH-NH1 3.08Å
586F92.3Very high92.6Very high13 Ų1348.2 Ų48.26%0.05726%0.257CS..Hα-helixtrans-69.9-27.9177.3-67.2-40.4000113.2F582 T584 R590 F707 M710 K711F582-F586 HydrophobicContact CB-CD2 4.33Å; F582-F586 HydrophobicContact CB-CE2 4.19Å; F582-F586 WeakPolarHBondContact O-CB 2.94Å; F582-F586 WeakPolarHBondContact O-CD2 3.3Å; F582-F586 VanDerWaalsContact O-CG 3.31Å; F582-F586 WeakPolarHBondContact O-CG 3.32Å; F582-F586 PolarHBondContact O-N 3.03Å; T584-F586 PolarHBondContact O-N 2.84Å; F586-R590 WeakPolarHBondContact O-CB 3.47Å; F586-R590 PolarHBondContact O-N 3.37Å; F586-R590 VanDerWaalsContact O-N 3.12Å; F586-F707 HydrophobicContact CB-CD1 3.84Å; F586-F707 HydrophobicContact CB-CE1 3.67Å; F586-F707 AromaticContact CD1-CD1 3.69Å; F586-F707 HydrophobicContact CD1-CD1 3.69Å; F586-F707 AromaticContact CD1-CE1 3.75Å; F586-F707 HydrophobicContact CD1-CE1 3.75Å; F586-F707 HydrophobicContact CE1-CD1 4.43Å; F586-F707 AromaticContact CG-CD1 3.85Å; F586-F707 HydrophobicContact CG-CD1 3.85Å; F586-F707 HydrophobicContact CG-CE1 4.01Å; F586-F707 WeakPolarHBondContact O-CE1 3.33Å; F586-F707 WeakPolarHBondContact O-CZ 3.42Å; F586-M710 HydrophobicContact CE1-CB 4.01Å; F586-M710 HydrophobicContact CE1-SD 4.11Å; F586-M710 HydrophobicContact CZ-CB 4.12Å; F586-K711 HydrophobicContact CD2-CG 4.32Å; F586-K711 HydrophobicContact CE2-CD 4.26Å; F586-K711 HydrophobicContact CE2-CG 3.61Å; F586-K711 HydrophobicContact CZ-CG 4.12Å
587G92.3Very high92.3Very high37 Ų3751.7 Ų51.738%0.38128%0.276SS..Hα-helixtrans-66.4-43.417100000112.3P583 T584 Y585 R590 T591P583-G587 PolarHBondContact O-N 3.41Å; T584-G587 PolarHBondContact O-N 3.46Å; T584-G587 VanDerWaalsContact O-N 3.09Å; Y585-G587 VanDerWaalsContact C-N 3.31Å; Y585-G587 PolarHBondContact O-N 3.01Å; G587-R590 PolarHBondContact O-N 3.32Å; G587-T591 PolarHBondContact O-N 2.97Å; G587-T591 PolarHBondContact O-OG1 3.02Å; G587-T591 VanDerWaalsContact O-OG1 3.1Å
588E92.7Very high92.2Very high128 Ų12853.3 Ų53.360%0.59829%0.286SS*.Hα-helixtrans-63.5-48.7174.6-68.6176.2-17900111.4T584 Y585 R590 T591 T592T584-E588 PolarHBondContact O-N 3.12Å; Y585-E588 PolarHBondContact O-N 3.42Å; E588-R590 VanDerWaalsContact C-N 3.26Å; E588-R590 PolarHBondContact O-N 2.94Å; E588-T591 WeakPolarHBondContact O-CA 3.26Å; E588-T591 VanDerWaalsContact O-CB 3.32Å; E588-T591 WeakPolarHBondContact O-CB 3.18Å; E588-T591 PolarHBondContact O-N 2.77Å; E588-T592 PolarHBondContact O-N 3.49Å; E588-T592 PolarHBondContact O-OG1 3.4Å
589L92.5Very high92Very high5 Ų556.5 Ų56.53%0.02630%0.298CS..Hα-helixtrans-58.5-37.3178.6-17960.9000112.6Y585 T591 T592 L593 V671 A674 F707 M710Y585-L589 PolarHBondContact O-N 2.94Å; L589-T591 VanDerWaalsContact C-N 3.3Å; L589-T591 PolarHBondContact O-N 3.35Å; L589-T592 PolarHBondContact O-N 3.41Å; L589-L593 HydrophobicContact CG-CD1 4.4Å; L589-L593 WeakPolarHBondContact O-CG 3.5Å; L589-L593 PolarHBondContact O-N 3.46Å; L589-V671 HydrophobicContact CD1-CG2 4.26Å; L589-A674 HydrophobicContact CD1-CB 3.67Å; L589-A674 HydrophobicContact CD2-CB 3.66Å; L589-A674 HydrophobicContact CG-CB 4.3Å; L589-F707 HydrophobicContact CB-CE1 4.2Å; L589-F707 HydrophobicContact CB-CZ 4.29Å; L589-F707 HydrophobicContact CD2-CE1 3.84Å; L589-F707 HydrophobicContact CD2-CZ 4.29Å; L589-F707 HydrophobicContact CG-CE1 4.19Å; L589-F707 HydrophobicContact CG-CZ 4.21Å; L589-M710 HydrophobicContact CD2-CE 4.1Å; L589-M710 HydrophobicContact CD2-SD 3.85Å
590R92.3Very high91.6Very high116 Ų11654.7 Ų54.744%0.43829%0.29SS..Hα-helixtrans-63-39.3176-176.7179.6-65.2-118.6-5.6111.7F586 G587 E588 T594 F707F586-R590 WeakPolarHBondContact O-CB 3.47Å; F586-R590 PolarHBondContact O-N 3.37Å; F586-R590 VanDerWaalsContact O-N 3.12Å; G587-R590 PolarHBondContact O-N 3.32Å; E588-R590 VanDerWaalsContact C-N 3.26Å; E588-R590 PolarHBondContact O-N 2.94Å; R590-T594 PolarHBondContact O-N 3.44Å; R590-T594 PolarHBondContact O-OG1 3.47Å; R590-F707 HydrophobicContact CB-CE2 4Å; R590-F707 HydrophobicContact CB-CZ 3.78Å; R590-F707 HydrophobicContact CG-CE2 4.33Å
591T93Very high91.3Very high79 Ų7957 Ų5749%0.48531%0.305SS..Hα-helixtrans-65.4-47.4175.9-51.80000109.9G587 E588 L589 L593 T594 E595G587-T591 PolarHBondContact O-N 2.97Å; G587-T591 PolarHBondContact O-OG1 3.02Å; G587-T591 VanDerWaalsContact O-OG1 3.1Å; E588-T591 WeakPolarHBondContact O-CA 3.26Å; E588-T591 VanDerWaalsContact O-CB 3.32Å; E588-T591 WeakPolarHBondContact O-CB 3.18Å; E588-T591 PolarHBondContact O-N 2.77Å; L589-T591 VanDerWaalsContact C-N 3.3Å; L589-T591 PolarHBondContact O-N 3.35Å; T591-L593 PolarHBondContact O-N 3.07Å; T591-T594 WeakPolarHBondContact O-CB 3.3Å; T591-T594 PolarHBondContact O-N 3.42Å; T591-E595 WeakPolarHBondContact O-CG 3.45Å; T591-E595 PolarHBondContact O-N 3.47Å
592T92.6Very high91.1Very high22 Ų2257.5 Ų57.514%0.13531%0.31CS..Hα-helixtrans-57.9-42.9176.8-52.70000112.8E588 L589 T594 E595 V596 C667 V671E588-T592 PolarHBondContact O-N 3.49Å; E588-T592 PolarHBondContact O-OG1 3.4Å; L589-T592 PolarHBondContact O-N 3.41Å; T592-T594 VanDerWaalsContact C-N 3.28Å; T592-T594 PolarHBondContact O-N 2.87Å; T592-E595 PolarHBondContact O-N 3.37Å; T592-V596 WeakPolarHBondContact O-CG2 3.21Å; T592-V596 PolarHBondContact O-N 3.3Å; T592-C667 HydrophobicContact CG2-CB 3.8Å; T592-V671 HydrophobicContact CG2-CG2 4.21Å
593L89.7Confident90.7Very high24 Ų2459.2 Ų59.213%0.12632%0.318CS..Hα-helixtrans-61.7-36.3176.6-75.8167.8000112.4L589 T591 V596 D597 V671 V703 L706 F707L589-L593 HydrophobicContact CG-CD1 4.4Å; L589-L593 WeakPolarHBondContact O-CG 3.5Å; L589-L593 PolarHBondContact O-N 3.46Å; T591-L593 PolarHBondContact O-N 3.07Å; L593-V596 PolarHBondContact O-N 3.4Å; L593-D597 PolarHBondContact O-N 2.82Å; L593-V671 HydrophobicContact CD2-CG1 4.06Å; L593-V671 HydrophobicContact CD2-CG2 3.75Å; L593-V671 HydrophobicContact CG-CG2 4.3Å; L593-V703 HydrophobicContact CD1-CG1 4.09Å; L593-V703 HydrophobicContact CD1-CG2 4.48Å; L593-L706 HydrophobicContact CD1-CD2 3.75Å; L593-F707 HydrophobicContact CD1-CZ 4.43Å
594T90.2Very high90.4Very high82 Ų8263.2 Ų63.250%0.50333%0.332SS..Hα-helixtrans-68.7-42.1176.2-50.10000110.9R590 T591 T592 V596 D597 D598R590-T594 PolarHBondContact O-N 3.44Å; R590-T594 PolarHBondContact O-OG1 3.47Å; T591-T594 WeakPolarHBondContact O-CB 3.3Å; T591-T594 PolarHBondContact O-N 3.42Å; T592-T594 VanDerWaalsContact C-N 3.28Å; T592-T594 PolarHBondContact O-N 2.87Å; T594-V596 VanDerWaalsContact C-N 3.29Å; T594-V596 PolarHBondContact O-N 3.32Å; T594-D597 PolarHBondContact O-N 3.12Å; T594-D598 PolarHBondContact O-N 3.06Å
595E91.6Very high90.2Very high76 Ų7666.2 Ų66.236%0.35534%0.338SS..Hα-helixtrans-62.5-34.8175.9-68.6175.1165.600112.5T591 T592 D597 D598 Y599T591-E595 WeakPolarHBondContact O-CG 3.45Å; T591-E595 PolarHBondContact O-N 3.47Å; T592-E595 PolarHBondContact O-N 3.37Å; E595-D597 VanDerWaalsContact C-N 3.35Å; E595-D597 PolarHBondContact O-N 3.47Å; E595-D598 PolarHBondContact O-N 2.91Å; E595-Y599 HydrophobicContact CB-CD2 4.25Å; E595-Y599 HydrophobicContact CB-CE2 3.98Å; E595-Y599 WeakPolarHBondContact O-CB 3.24Å; E595-Y599 WeakPolarHBondContact O-CD2 3.21Å; E595-Y599 PolarHBondContact O-N 2.73Å
596V88.9Confident89.9Confident14 Ų1466 Ų669%0.08534%0.339CS..Hα-helixtrans-59.4-45.2176169.40000111.2T592 L593 T594 Y599 H600 L664 C667 L668 V671T592-V596 WeakPolarHBondContact O-CG2 3.21Å; T592-V596 PolarHBondContact O-N 3.3Å; L593-V596 PolarHBondContact O-N 3.4Å; T594-V596 VanDerWaalsContact C-N 3.29Å; T594-V596 PolarHBondContact O-N 3.32Å; V596-Y599 PolarHBondContact O-N 2.84Å; V596-H600 WeakPolarHBondContact CG1-ND1 3.49Å; V596-H600 PolarHBondContact O-N 2.97Å; V596-H600 PolarHBondContact O-ND1 3.46Å; V596-L664 HydrophobicContact CG1-CD1 4.07Å; V596-C667 HydrophobicContact CG2-CB 3.55Å; V596-L668 HydrophobicContact CG1-CD2 4.06Å; V596-V671 HydrophobicContact CG2-CG2 4.49Å
597D86.9Confident89.6Confident84 Ų8467.7 Ų67.745%0.44935%0.35SS..Hα-helixtrans-64.4-41.8178.4-76.7-19.6000111.5L593 T594 E595 H600 S601L593-D597 PolarHBondContact O-N 2.82Å; T594-D597 PolarHBondContact O-N 3.12Å; E595-D597 VanDerWaalsContact C-N 3.35Å; E595-D597 PolarHBondContact O-N 3.47Å; D597-H600 PolarHBondContact O-N 3.28Å; D597-S601 PolarHBondContact O-N 3.39Å
598D90.6Very high89.4Confident102 Ų10268.5 Ų68.555%0.54535%0.353SS..Hα-helixtrans-62.4-46.7176.3-75.1-23.2000111.5T594 E595 H600 S601 V602T594-D598 PolarHBondContact O-N 3.06Å; E595-D598 PolarHBondContact O-N 2.91Å; D598-H600 VanDerWaalsContact C-N 3.35Å; D598-H600 PolarHBondContact O-N 3.27Å; D598-S601 WeakPolarHBondContact O-CB 3.46Å; D598-S601 PolarHBondContact O-N 3.38Å; D598-V602 WeakPolarHBondContact O-CG2 3.16Å; D598-V602 PolarHBondContact O-N 3.01Å
599Y90.1Very high89.1Confident70 Ų7063.8 Ų63.828%0.27534%0.336SS..Hα-helixtrans-65.1-35.9178.3-72.3-44.8000112.8E595 V596 H603 N660 A663E595-Y599 HydrophobicContact CB-CD2 4.25Å; E595-Y599 HydrophobicContact CB-CE2 3.98Å; E595-Y599 WeakPolarHBondContact O-CB 3.24Å; E595-Y599 WeakPolarHBondContact O-CD2 3.21Å; E595-Y599 PolarHBondContact O-N 2.73Å; V596-Y599 PolarHBondContact O-N 2.84Å; Y599-H603 VanDerWaalsContact O-CB 3.27Å; Y599-H603 WeakPolarHBondContact O-CB 3.46Å; Y599-H603 PolarHBondContact O-N 2.92Å; Y599-N660 VanDerWaalsContact CD1-OD1 3.32Å; Y599-N660 WeakPolarHBondContact CD1-OD1 3.44Å; Y599-N660 PolarHBondContact O-ND2 3.19Å; Y599-A663 HydrophobicContact CE1-CB 4.13Å; Y599-A663 HydrophobicContact CE2-CB 4.02Å
600H86.4Confident88.8Confident79 Ų7964.4 Ų64.437%0.36634%0.339SS..Hα-helixtrans-63-47172.8-84.385.5000111.3V596 D597 D598 V602 H603 Q604 L664V596-H600 WeakPolarHBondContact CG1-ND1 3.49Å; V596-H600 PolarHBondContact O-N 2.97Å; V596-H600 PolarHBondContact O-ND1 3.46Å; D597-H600 PolarHBondContact O-N 3.28Å; D598-H600 VanDerWaalsContact C-N 3.35Å; D598-H600 PolarHBondContact O-N 3.27Å; H600-V602 VanDerWaalsContact C-N 3.34Å; H600-V602 PolarHBondContact O-N 3.16Å; H600-H603 PolarHBondContact O-N 2.93Å; H600-Q604 PolarHBondContact O-N 2.86Å; H600-L664 VanDerWaalsContact CE1-CD1 3.49Å; H600-L664 WeakPolarHBondContact CE1-CD1 3.42Å; H600-L664 WeakPolarHBondContact ND1-CD1 3.41Å
601S88.9Confident88.6Confident49 Ų4961.1 Ų61.134%0.34334%0.337SS..Hα-helixtrans-59-44.1177.9-176.50000112.1D597 D598 K605D597-S601 PolarHBondContact O-N 3.39Å; D598-S601 WeakPolarHBondContact O-CB 3.46Å; D598-S601 PolarHBondContact O-N 3.38Å; S601-K605 WeakPolarHBondContact O-CG 3.38Å; S601-K605 PolarHBondContact O-N 3.45Å
602V89.7Confident88.3Confident58 Ų5862.5 Ų62.535%0.35234%0.342SS..Hα-helixtrans-67-42.9176.1174.40000111.3D598 H600 Q604 K605 L606 N660D598-V602 WeakPolarHBondContact O-CG2 3.16Å; D598-V602 PolarHBondContact O-N 3.01Å; H600-V602 VanDerWaalsContact C-N 3.34Å; H600-V602 PolarHBondContact O-N 3.16Å; V602-Q604 VanDerWaalsContact C-N 3.33Å; V602-Q604 PolarHBondContact O-N 2.88Å; V602-K605 PolarHBondContact O-N 2.83Å; V602-L606 HydrophobicContact CG1-CD1 3.72Å; V602-L606 HydrophobicContact CG1-CG 4.21Å; V602-L606 WeakPolarHBondContact O-CG 3.45Å; V602-L606 PolarHBondContact O-N 2.75Å; V602-N660 VanDerWaalsContact CG1-OD1 3.29Å; V602-N660 WeakPolarHBondContact CG1-OD1 3.36Å
603H85.7Confident88.1Confident35 Ų3563.8 Ų63.816%0.16235%0.346CS..Hα-helixtrans-59.6-43.1178.9-168.887.5000112.1Y599 H600 L606 T607 R657 H661Y599-H603 VanDerWaalsContact O-CB 3.27Å; Y599-H603 WeakPolarHBondContact O-CB 3.46Å; Y599-H603 PolarHBondContact O-N 2.92Å; H600-H603 PolarHBondContact O-N 2.93Å; H603-L606 PolarHBondContact O-N 3.04Å; H603-T607 WeakPolarHBondContact O-CB 3.26Å; H603-T607 PolarHBondContact O-N 3.27Å; H603-T607 PolarHBondContact O-OG1 2.97Å; H603-R657 PolarHBondContact CE1-NE 2.83Å; H603-H661 AromaticContact CE1-ND1 3.98Å
604Q86.7Confident87.9Confident148 Ų14864.9 Ų64.969%0.69236%0.355SS*.Hα-helixtrans-63.3-45.3178.8-168.4-179.517.400111.5H600 V602 T607 A608H600-Q604 PolarHBondContact O-N 2.86Å; V602-Q604 VanDerWaalsContact C-N 3.33Å; V602-Q604 PolarHBondContact O-N 2.88Å; Q604-T607 PolarHBondContact O-N 3.12Å; Q604-A608 PolarHBondContact O-N 3.22Å
605K88.8Confident87.9Confident139 Ų13964 Ų6460%0.60435%0.348SS*.Hα-helixtrans-61.9-46.1177.3-71.2169.5-175.4165.50112.1S601 V602 T607 A608 A609S601-K605 WeakPolarHBondContact O-CG 3.38Å; S601-K605 PolarHBondContact O-N 3.45Å; V602-K605 PolarHBondContact O-N 2.83Å; K605-T607 VanDerWaalsContact C-N 3.31Å; K605-T607 PolarHBondContact O-N 3.16Å; K605-A608 PolarHBondContact O-N 2.83Å; K605-A609 PolarHBondContact O-N 3.39Å
606L86.7Confident87.8Confident26 Ų2664.9 Ų64.914%0.13635%0.352CS..Hα-helixtrans-64.6-37178-70172.2000111.9V602 H603 A609 I610 I656 R657V602-L606 HydrophobicContact CG1-CD1 3.72Å; V602-L606 HydrophobicContact CG1-CG 4.21Å; V602-L606 WeakPolarHBondContact O-CG 3.45Å; V602-L606 PolarHBondContact O-N 2.75Å; H603-L606 PolarHBondContact O-N 3.04Å; L606-A609 PolarHBondContact O-N 3.32Å; L606-I610 WeakPolarHBondContact O-CB 3.38Å; L606-I610 WeakPolarHBondContact O-CD1 3.32Å; L606-I610 VanDerWaalsContact O-CG1 3.23Å; L606-I610 WeakPolarHBondContact O-CG1 3.49Å; L606-I610 PolarHBondContact O-N 2.81Å; L606-I656 HydrophobicContact CD1-CG2 3.92Å; L606-I656 HydrophobicContact CD2-CG2 4.46Å; L606-R657 HydrophobicContact CB-CB 4.42Å; L606-R657 HydrophobicContact CD1-CB 4.1Å
607T86.1Confident87.9Confident49 Ų4965.9 Ų65.930%0.30136%0.356SS..Hα-helixtrans-66.2-41.2178.1-59.30000111.4H603 Q604 K605 A611 R657H603-T607 WeakPolarHBondContact O-CB 3.26Å; H603-T607 PolarHBondContact O-N 3.27Å; H603-T607 PolarHBondContact O-OG1 2.97Å; Q604-T607 PolarHBondContact O-N 3.12Å; K605-T607 VanDerWaalsContact C-N 3.31Å; K605-T607 PolarHBondContact O-N 3.16Å; T607-A611 WeakPolarHBondContact O-CB 3.27Å; T607-A611 PolarHBondContact O-N 2.95Å; T607-A611 VanDerWaalsContact O-N 3.12Å; T607-R657 PolarHBondContact OG1-NE 2.88Å; T607-R657 PolarHBondContact OG1-NH2 3.02Å
608A88.1Confident88Confident54 Ų5469.8 Ų69.845%0.44637%0.365SS..Hα-helixtrans-63.1-47.6173.500000111.9Q604 K605 I610 A611 D612Q604-A608 PolarHBondContact O-N 3.22Å; K605-A608 PolarHBondContact O-N 2.83Å; A608-I610 PolarHBondContact O-N 3.36Å; A608-A611 WeakPolarHBondContact O-CB 3.47Å; A608-A611 PolarHBondContact O-N 3.03Å; A608-D612 PolarHBondContact O-N 2.69Å
609A86.2Confident88.1Confident29 Ų2969.7 Ų69.724%0.2436%0.364CS..Hα-helixtrans-59.6-45.6178.700000112.6K605 L606 A611 D612 H613K605-A609 PolarHBondContact O-N 3.39Å; L606-A609 PolarHBondContact O-N 3.32Å; A609-A611 VanDerWaalsContact C-N 3.29Å; A609-A611 PolarHBondContact O-N 3.4Å; A609-D612 PolarHBondContact O-N 3.48Å; A609-H613 PolarHBondContact O-N 2.88Å; A609-H613 PolarHBondContact O-ND1 2.78Å
610I86.1Confident88.1Confident17 Ų1766.5 Ų66.59%0.08735%0.352CS..Hα-helixtrans-63.8-36.1178.3-69.7166.9000111.3L606 A608 S614 E653 R657L606-I610 WeakPolarHBondContact O-CB 3.38Å; L606-I610 WeakPolarHBondContact O-CD1 3.32Å; L606-I610 VanDerWaalsContact O-CG1 3.23Å; L606-I610 WeakPolarHBondContact O-CG1 3.49Å; L606-I610 PolarHBondContact O-N 2.81Å; A608-I610 PolarHBondContact O-N 3.36Å; I610-S614 VanDerWaalsContact O-CB 3.29Å; I610-S614 WeakPolarHBondContact O-CB 3.35Å; I610-S614 PolarHBondContact O-N 2.84Å; I610-S614 PolarHBondContact O-OG 2.94Å; I610-E653 HydrophobicContact CD1-CB 4.48Å; I610-E653 HydrophobicContact CG1-CB 4.18Å; I610-R657 HydrophobicContact CD1-CB 4.22Å; I610-R657 VanDerWaalsContact CD1-CD 3.49Å; I610-R657 HydrophobicContact CD1-CG 4.49Å
611A86.9Confident88.4Confident47 Ų4767.5 Ų67.539%0.38836%0.359SS..Hα-helixtrans-64.9-43.5176.200000111.4T607 A608 A609 S614 N615T607-A611 WeakPolarHBondContact O-CB 3.27Å; T607-A611 PolarHBondContact O-N 2.95Å; T607-A611 VanDerWaalsContact O-N 3.12Å; A608-A611 WeakPolarHBondContact O-CB 3.47Å; A608-A611 PolarHBondContact O-N 3.03Å; A609-A611 VanDerWaalsContact C-N 3.29Å; A609-A611 PolarHBondContact O-N 3.4Å; A611-S614 PolarHBondContact O-N 3.47Å; A611-N615 VanDerWaalsContact O-CG 3.23Å; A611-N615 PolarHBondContact O-N 3.44Å; A611-N615 PolarHBondContact O-ND2 3.11Å
612D87.9Confident88.6Confident109 Ų10970.1 Ų70.158%0.58337%0.373SS*.Hα-helixtrans-64.2-45.9176.3-72-22.7000112A608 A609 S614 N615 H616A608-D612 PolarHBondContact O-N 2.69Å; A609-D612 PolarHBondContact O-N 3.48Å; D612-S614 VanDerWaalsContact C-N 3.32Å; D612-S614 PolarHBondContact O-N 3.25Å; D612-N615 WeakPolarHBondContact O-CB 3.16Å; D612-N615 PolarHBondContact O-N 3.14Å; D612-H616 WeakPolarHBondContact O-CB 3.48Å; D612-H616 PolarHBondContact O-N 2.96Å
613H87.3Confident88.7Confident48 Ų4871.6 Ų71.622%0.22238%0.376CS..Hα-helixtrans-60.2-41174.1-72.5120.1000111.9A609 H616 I617 L650 E653A609-H613 PolarHBondContact O-N 2.88Å; A609-H613 PolarHBondContact O-ND1 2.78Å; H613-H616 PolarHBondContact O-N 2.83Å; H613-I617 VanDerWaalsContact O-CG1 3.3Å; H613-I617 WeakPolarHBondContact O-CG1 3.16Å; H613-I617 PolarHBondContact O-N 2.85Å; H613-L650 HydrophobicContact CB-CD1 3.95Å; H613-E653 IonicContact CE1-OE1 2.75Å; H613-E653 PolarHBondContact CE1-OE1 3.37Å; H613-E653 IonicContact CE1-OE2 2.71Å; H613-E653 PolarHBondContact CE1-OE2 3.19Å; H613-E653 IonicContact ND1-OE1 2.83Å; H613-E653 IonicContact ND1-OE2 2.71Å; H613-E653 PolarHBondContact ND1-OE2 3.03Å
614S87Confident89Confident47 Ų4770 Ų7033%0.32937%0.368SS..Hα-helixtrans-65.2-39.3177.1-61.40000112.4I610 A611 D612 R618I610-S614 VanDerWaalsContact O-CB 3.29Å; I610-S614 WeakPolarHBondContact O-CB 3.35Å; I610-S614 PolarHBondContact O-N 2.84Å; I610-S614 PolarHBondContact O-OG 2.94Å; A611-S614 PolarHBondContact O-N 3.47Å; D612-S614 VanDerWaalsContact C-N 3.32Å; D612-S614 PolarHBondContact O-N 3.25Å; S614-R618 WeakPolarHBondContact O-CG 3.45Å; S614-R618 PolarHBondContact O-N 2.91Å; S614-R618 VanDerWaalsContact O-N 3.1Å
615N89.7Confident89.3Confident65 Ų6566.2 Ų66.235%0.34835%0.351SS..Hα-helixtrans-63.5-42.7172.8-70.3-26.6000111.4A611 D612 R618 N619A611-N615 VanDerWaalsContact O-CG 3.23Å; A611-N615 PolarHBondContact O-N 3.44Å; A611-N615 PolarHBondContact O-ND2 3.11Å; D612-N615 WeakPolarHBondContact O-CB 3.16Å; D612-N615 PolarHBondContact O-N 3.14Å; N615-R618 PolarHBondContact O-N 2.89Å; N615-R618 PolarHBondContact OD1-NH2 3.12Å; N615-N619 PolarHBondContact O-N 2.89Å; N615-N619 VanDerWaalsContact O-N 3.13Å
616H89.5Confident89.6Confident93 Ų9363.7 Ų63.743%0.43134%0.344SS..Hα-helixtrans-64-44.4178.4-16749.3000112D612 H613 R618 N619 M620 L646D612-H616 WeakPolarHBondContact O-CB 3.48Å; D612-H616 PolarHBondContact O-N 2.96Å; H613-H616 PolarHBondContact O-N 2.83Å; H616-R618 PolarHBondContact O-N 3.45Å; H616-N619 PolarHBondContact O-N 2.99Å; H616-M620 WeakPolarHBondContact O-CB 3.42Å; H616-M620 WeakPolarHBondContact O-CG 3.28Å; H616-M620 PolarHBondContact O-N 3.39Å; H616-L646 WeakPolarHBondContact CD2-CD1 3.42Å
617I90.3Very high89.9Confident36 Ų3662.8 Ų62.819%0.18534%0.341CS..Hα-helixtrans-58.1-47.6175.1-72166000110.9H613 N619 M620 L621 L643 L646 L650H613-I617 VanDerWaalsContact O-CG1 3.3Å; H613-I617 WeakPolarHBondContact O-CG1 3.16Å; H613-I617 PolarHBondContact O-N 2.85Å; I617-N619 VanDerWaalsContact C-N 3.35Å; I617-N619 PolarHBondContact O-N 2.87Å; I617-M620 PolarHBondContact O-N 2.87Å; I617-L621 HydrophobicContact CG2-CD1 4.34Å; I617-L621 WeakPolarHBondContact O-CB 3.42Å; I617-L621 PolarHBondContact O-N 3.26Å; I617-L643 HydrophobicContact CB-CD2 4.32Å; I617-L643 HydrophobicContact CG1-CD2 4.29Å; I617-L643 HydrophobicContact CG2-CD2 4Å; I617-L646 HydrophobicContact CG1-CB 4.33Å; I617-L650 HydrophobicContact CD1-CD1 3.78Å
618R89.9Confident90.3Very high166 Ų16666.3 Ų66.363%0.62635%0.348SS*.Hα-helixtrans-57.1-47.3178.1-76.1-169.6-72173.3-5.6112S614 N615 H616 M620 L621 V622S614-R618 WeakPolarHBondContact O-CG 3.45Å; S614-R618 PolarHBondContact O-N 2.91Å; S614-R618 VanDerWaalsContact O-N 3.1Å; N615-R618 PolarHBondContact O-N 2.89Å; N615-R618 PolarHBondContact OD1-NH2 3.12Å; H616-R618 PolarHBondContact O-N 3.45Å; R618-M620 PolarHBondContact O-N 3.02Å; R618-L621 PolarHBondContact O-N 3.17Å; R618-V622 WeakPolarHBondContact O-CG2 3.45Å; R618-V622 PolarHBondContact O-N 3.45Å
619N91.8Very high90.6Very high99 Ų9969.5 Ų69.553%0.52936%0.357SS..Hα-helixtrans-63.2-42.3178.3-71.7-18.1000112N615 H616 I617 L621 V622 Q623N615-N619 PolarHBondContact O-N 2.89Å; N615-N619 VanDerWaalsContact O-N 3.13Å; H616-N619 PolarHBondContact O-N 2.99Å; I617-N619 VanDerWaalsContact C-N 3.35Å; I617-N619 PolarHBondContact O-N 2.87Å; N619-L621 VanDerWaalsContact C-N 3.35Å; N619-V622 PolarHBondContact O-N 2.98Å; N619-Q623 WeakPolarHBondContact O-CG 3.24Å; N619-Q623 PolarHBondContact O-N 3.17Å; N619-Q623 VanDerWaalsContact O-N 3.08Å
620M90.3Very high90.9Very high3 Ų374.3 Ų74.32%0.01538%0.376CS..Hα-helixtrans-66.6-35.4178.2-82-16870.400113.5H616 I617 R618 V622 Q623 A624 R639 E642 L643 L646H616-M620 WeakPolarHBondContact O-CB 3.42Å; H616-M620 WeakPolarHBondContact O-CG 3.28Å; H616-M620 PolarHBondContact O-N 3.39Å; I617-M620 PolarHBondContact O-N 2.87Å; R618-M620 PolarHBondContact O-N 3.02Å; M620-V622 VanDerWaalsContact C-N 3.34Å; M620-Q623 PolarHBondContact O-N 3.37Å; M620-A624 WeakPolarHBondContact O-CB 3.47Å; M620-A624 PolarHBondContact O-N 2.84Å; M620-R639 HydrophobicContact CE-CB 4.44Å; M620-R639 VanDerWaalsContact CE-O 3.29Å; M620-R639 WeakPolarHBondContact CE-O 3.45Å; M620-E642 HydrophobicContact CE-CB 3.18Å; M620-E642 HydrophobicContact CE-CG 4.3Å; M620-E642 WeakPolarHBondContact CE-OE2 3.33Å; M620-E642 HydrophobicContact SD-CB 4.32Å; M620-L643 HydrophobicContact CB-CD2 3.63Å; M620-L643 HydrophobicContact CB-CG 4.03Å; M620-L643 HydrophobicContact CE-CD2 4.32Å; M620-L643 HydrophobicContact CE-CG 3.86Å; M620-L643 HydrophobicContact SD-CD2 4.3Å; M620-L643 HydrophobicContact SD-CG 4.48Å; M620-L646 HydrophobicContact CE-CD1 4.37Å; M620-L646 HydrophobicContact SD-CD1 3.27Å; M620-L646 WeakPolarHBondContact SD-CD1 3.4Å
621L92.7Very high91.2Very high101 Ų10176.1 Ų76.153%0.52940%0.399SS..Hα-helixtrans-64.1-41.8176.4-134.5140.8000110.7I617 R618 N619 A624 E625I617-L621 HydrophobicContact CG2-CD1 4.34Å; I617-L621 WeakPolarHBondContact O-CB 3.42Å; I617-L621 PolarHBondContact O-N 3.26Å; R618-L621 PolarHBondContact O-N 3.17Å; N619-L621 VanDerWaalsContact C-N 3.35Å; L621-A624 PolarHBondContact O-N 3.11Å; L621-E625 WeakPolarHBondContact O-CB 3.03Å; L621-E625 PolarHBondContact O-N 3.12Å
622V93.4Very high91.6Very high104 Ų10476.6 Ų76.663%0.6340%0.395SS*.Hα-helixtrans-61.9-44.8173.1175.90000111.1R618 N619 M620 E625 D626R618-V622 WeakPolarHBondContact O-CG2 3.45Å; R618-V622 PolarHBondContact O-N 3.45Å; N619-V622 PolarHBondContact O-N 2.98Å; M620-V622 VanDerWaalsContact C-N 3.34Å; V622-E625 PolarHBondContact O-N 3.1Å; V622-D626 WeakPolarHBondContact O-CB 3.11Å; V622-D626 PolarHBondContact O-N 3.13Å
623Q91.7Very high91.7Very high89 Ų8976.3 Ų76.342%0.41639%0.392SS..Hα-helixtrans-66-37.5178-69.2178.518.200113.1N619 M620 E625 A627 R639N619-Q623 WeakPolarHBondContact O-CG 3.24Å; N619-Q623 PolarHBondContact O-N 3.17Å; N619-Q623 VanDerWaalsContact O-N 3.08Å; M620-Q623 PolarHBondContact O-N 3.37Å; Q623-E625 VanDerWaalsContact C-N 3.34Å; Q623-A627 WeakPolarHBondContact O-CB 3.23Å; Q623-A627 PolarHBondContact O-N 3.35Å; Q623-R639 VanDerWaalsContact OE1-CZ 3.26Å; Q623-R639 VanDerWaalsContact OE1-NH2 3.09Å
624A92.5Very high92Very high0 Ų084.2 Ų84.20%042%0.42CS..Hα-helixtrans-66.1-40176.100000111.1M620 L621 R628 R639 Y640 L643M620-A624 WeakPolarHBondContact O-CB 3.47Å; M620-A624 PolarHBondContact O-N 2.84Å; L621-A624 PolarHBondContact O-N 3.11Å; A624-R628 WeakPolarHBondContact O-CB 3.43Å; A624-R628 PolarHBondContact O-N 2.71Å; A624-R639 HydrophobicContact CB-CB 3.85Å; A624-Y640 HydrophobicContact CB-CE2 4.44Å; A624-L643 HydrophobicContact CB-CD1 4.49Å
625E93.1Very high92.2Very high69 Ų6985.7 Ų85.732%0.32243%0.425SS..Hα-helixtrans-69-40.5177-173.958.8-165.300112L621 V622 Q623 R628 L629L621-E625 WeakPolarHBondContact O-CB 3.03Å; L621-E625 PolarHBondContact O-N 3.12Å; V622-E625 PolarHBondContact O-N 3.1Å; Q623-E625 VanDerWaalsContact C-N 3.34Å; E625-R628 VanDerWaalsContact CD-NE 3.31Å; E625-R628 WeakPolarHBondContact O-CB 3.35Å; E625-R628 PolarHBondContact O-N 3.23Å; E625-R628 VanDerWaalsContact O-N 3.17Å; E625-R628 IonicContact OE1-CZ 3.28Å; E625-R628 VanDerWaalsContact OE1-CZ 3.28Å; E625-R628 IonicContact OE1-NE 3.08Å; E625-R628 PolarHBondContact OE1-NE 3.06Å; E625-R628 VanDerWaalsContact OE1-NE 3.08Å; E625-R628 IonicContact OE1-NH2 2.67Å; E625-R628 PolarHBondContact OE1-NH2 3.44Å; E625-R628 IonicContact OE2-CZ 3.83Å; E625-R628 IonicContact OE2-NE 2.87Å; E625-R628 PolarHBondContact OE2-NE 2.95Å; E625-R628 IonicContact OE2-NH2 3.94Å; E625-L629 HydrophobicContact CG-CD1 4.44Å; E625-L629 WeakPolarHBondContact O-CG 3.38Å; E625-L629 PolarHBondContact O-N 3.12Å
626D94.3Very high92.3Very high86 Ų8684.4 Ų84.446%0.4642%0.417SS..Hα-helixtrans-62-46174.7-170.829.9000111.7V622 R628 L629 M630V622-D626 WeakPolarHBondContact O-CB 3.11Å; V622-D626 PolarHBondContact O-N 3.13Å; D626-R628 VanDerWaalsContact C-N 3.27Å; D626-R628 PolarHBondContact O-N 3.42Å; D626-L629 PolarHBondContact O-N 3.38Å; D626-L629 VanDerWaalsContact O-N 3.17Å; D626-M630 WeakPolarHBondContact O-CG 3.49Å; D626-M630 PolarHBondContact O-N 2.82Å
627A92.8Very high92.5Very high8 Ų886 Ų867%0.06642%0.423CS..Hα-helixtrans-60.7-36.2173.600000112.5Q623 G631 D632 N635 M636Q623-A627 WeakPolarHBondContact O-CB 3.23Å; Q623-A627 PolarHBondContact O-N 3.35Å; A627-G631 PolarHBondContact O-N 3.28Å; A627-D632 PolarHBondContact O-N 3.46Å; A627-N635 HydrophobicContact CB-CB 4.26Å; A627-M636 HydrophobicContact CB-CB 4.15Å
628R93.9Very high92.6Very high123 Ų12389.7 Ų89.746%0.46444%0.438SS..Hα-helixtrans-65.5-44.5174.7-169-167.274.574.70.7111.3A624 E625 D626 M630 G631 M636A624-R628 WeakPolarHBondContact O-CB 3.43Å; A624-R628 PolarHBondContact O-N 2.71Å; E625-R628 VanDerWaalsContact CD-NE 3.31Å; E625-R628 WeakPolarHBondContact O-CB 3.35Å; E625-R628 PolarHBondContact O-N 3.23Å; E625-R628 VanDerWaalsContact O-N 3.17Å; E625-R628 IonicContact OE1-CZ 3.28Å; E625-R628 VanDerWaalsContact OE1-CZ 3.28Å; E625-R628 IonicContact OE1-NE 3.08Å; E625-R628 PolarHBondContact OE1-NE 3.06Å; E625-R628 VanDerWaalsContact OE1-NE 3.08Å; E625-R628 IonicContact OE1-NH2 2.67Å; E625-R628 PolarHBondContact OE1-NH2 3.44Å; E625-R628 IonicContact OE2-CZ 3.83Å; E625-R628 IonicContact OE2-NE 2.87Å; E625-R628 PolarHBondContact OE2-NE 2.95Å; E625-R628 IonicContact OE2-NH2 3.94Å; D626-R628 VanDerWaalsContact C-N 3.27Å; D626-R628 PolarHBondContact O-N 3.42Å; R628-M630 VanDerWaalsContact C-N 3.33Å; R628-G631 PolarHBondContact O-N 3Å; R628-M636 HydrophobicContact CB-CG 4.31Å; R628-M636 HydrophobicContact CB-SD 4.04Å; R628-M636 HydrophobicContact CG-SD 3.92Å
629L94.6Very high92.7Very high121 Ų12185.3 Ų85.363%0.63442%0.421SS*.Hα-helixtrans-65.4-34.9178-70.5173.2000112.1E625 D626 G631E625-L629 HydrophobicContact CG-CD1 4.44Å; E625-L629 WeakPolarHBondContact O-CG 3.38Å; E625-L629 PolarHBondContact O-N 3.12Å; D626-L629 PolarHBondContact O-N 3.38Å; D626-L629 VanDerWaalsContact O-N 3.17Å; L629-G631 VanDerWaalsContact C-N 3.29Å; L629-G631 PolarHBondContact O-N 2.81Å
630M93.4Very high92.7Very high130 Ų13085.8 Ų85.864%0.6442%0.416SS*.THydrogen-bonded Turntrans-79.1-4.9175.1-68.8-169.1-76.500114.4D626 R628 D632D626-M630 WeakPolarHBondContact O-CG 3.49Å; D626-M630 PolarHBondContact O-N 2.82Å; R628-M630 VanDerWaalsContact C-N 3.33Å; M630-D632 VanDerWaalsContact C-N 3.26Å; M630-D632 PolarHBondContact O-N 3Å
631G92.6Very high92.9Very high55 Ų5590.7 Ų90.757%0.56744%0.441SS*.THydrogen-bonded Turntrans73.312.4-177.500000114.7A627 R628 L629 I633A627-G631 PolarHBondContact O-N 3.28Å; R628-G631 PolarHBondContact O-N 3Å; L629-G631 VanDerWaalsContact C-N 3.29Å; L629-G631 PolarHBondContact O-N 2.81Å; G631-I633 PolarHBondContact O-N 2.91Å; G631-I633 VanDerWaalsContact O-N 3.08Å
632D94.1Very high92.8Very high57 Ų5788.6 Ų88.631%0.30543%0.429SS..  trans-83.182.9177.7-172.6-10.1000111.3A627 M630 R634 N635 M636A627-D632 PolarHBondContact O-N 3.46Å; M630-D632 VanDerWaalsContact C-N 3.26Å; M630-D632 PolarHBondContact O-N 3Å; D632-R634 PolarHBondContact O-N 3.33Å; D632-R634 PolarHBondContact OD1-N 2.88Å; D632-N635 PolarHBondContact O-N 2.66Å; D632-N635 PolarHBondContact OD1-N 2.8Å; D632-N635 WeakPolarHBondContact OD2-CB 3.33Å; D632-N635 PolarHBondContact OD2-ND2 3.24Å; D632-M636 VanDerWaalsContact O-CB 3.3Å; D632-M636 WeakPolarHBondContact O-CB 3.48Å; D632-M636 PolarHBondContact O-N 2.86Å
633I91.2Very high92.8Very high102 Ų10284.6 Ų84.652%0.52340%0.404SS..Hα-helixtrans-62.9-28.2-177.3-60.6176.6000112.3G631 M636 K637G631-I633 PolarHBondContact O-N 2.91Å; G631-I633 VanDerWaalsContact O-N 3.08Å; I633-M636 HydrophobicContact CG2-CE 4.3Å; I633-K637 HydrophobicContact CG2-CD 4.12Å; I633-K637 HydrophobicContact CG2-CG 4.34Å; I633-K637 WeakPolarHBondContact O-CB 3.07Å; I633-K637 VanDerWaalsContact O-CG 3.32Å; I633-K637 WeakPolarHBondContact O-CG 3.2Å; I633-K637 PolarHBondContact O-N 2.91Å
634R93.1Very high92.8Very high214 Ų21487.7 Ų87.781%0.80841%0.413SS*.Hα-helixtrans-71.9-50-178.4-69.1-172.3-148.4178.27.8110.7D632 M636 K637 K638D632-R634 PolarHBondContact O-N 3.33Å; D632-R634 PolarHBondContact OD1-N 2.88Å; R634-M636 VanDerWaalsContact C-N 3.33Å; R634-K637 PolarHBondContact O-N 2.73Å; R634-K638 PolarHBondContact O-N 2.85Å
635N90.8Very high92.8Very high79 Ų7990.5 Ų90.542%0.42243%0.428SS..Hα-helixtrans-67-38.5178.3-79.4-31.2000111.2A627 D632 K637 K638 R639A627-N635 HydrophobicContact CB-CB 4.26Å; D632-N635 PolarHBondContact O-N 2.66Å; D632-N635 PolarHBondContact OD1-N 2.8Å; D632-N635 WeakPolarHBondContact OD2-CB 3.33Å; D632-N635 PolarHBondContact OD2-ND2 3.24Å; N635-K637 PolarHBondContact O-N 2.8Å; N635-K638 PolarHBondContact O-N 3.21Å; N635-R639 WeakPolarHBondContact O-CG 3.36Å; N635-R639 PolarHBondContact O-N 2.51Å
636M92.6Very high92.6Very high38 Ų3888.4 Ų88.419%0.18742%0.419CS..Hα-helixtrans-55.5-52.4172.6-175.2-159.373.100111.6A627 R628 D632 I633 R634 K638 R639 Y640A627-M636 HydrophobicContact CB-CB 4.15Å; R628-M636 HydrophobicContact CB-CG 4.31Å; R628-M636 HydrophobicContact CB-SD 4.04Å; R628-M636 HydrophobicContact CG-SD 3.92Å; D632-M636 VanDerWaalsContact O-CB 3.3Å; D632-M636 WeakPolarHBondContact O-CB 3.48Å; D632-M636 PolarHBondContact O-N 2.86Å; I633-M636 HydrophobicContact CG2-CE 4.3Å; R634-M636 VanDerWaalsContact C-N 3.33Å; M636-K638 VanDerWaalsContact C-N 3.33Å; M636-K638 PolarHBondContact O-N 3.02Å; M636-R639 PolarHBondContact O-N 2.86Å; M636-Y640 HydrophobicContact CE-CE2 4.49Å; M636-Y640 HydrophobicContact CG-CD2 3.77Å; M636-Y640 HydrophobicContact CG-CE2 3.49Å; M636-Y640 VanDerWaalsContact CG-CE2 3.49Å; M636-Y640 WeakPolarHBondContact O-CD2 3.4Å; M636-Y640 PolarHBondContact O-N 2.91Å; M636-Y640 HydrophobicContact SD-CE2 4.04Å
637K92.5Very high92.4Very high127 Ų12788.2 Ų88.255%0.55242%0.417SS*.Hα-helixtrans-61.1-40.6178.2-77.2-179.6178.9-174.60112.4I633 R634 N635 Y640 I641I633-K637 HydrophobicContact CG2-CD 4.12Å; I633-K637 HydrophobicContact CG2-CG 4.34Å; I633-K637 WeakPolarHBondContact O-CB 3.07Å; I633-K637 VanDerWaalsContact O-CG 3.32Å; I633-K637 WeakPolarHBondContact O-CG 3.2Å; I633-K637 PolarHBondContact O-N 2.91Å; R634-K637 PolarHBondContact O-N 2.73Å; N635-K637 PolarHBondContact O-N 2.8Å; K637-Y640 PolarHBondContact O-N 2.99Å; K637-I641 WeakPolarHBondContact O-CG1 3.41Å; K637-I641 PolarHBondContact O-N 2.8Å
638K93.6Very high92.3Very high113 Ų11393.3 Ų93.349%0.49144%0.435SS..Hα-helixtrans-59.2-47.7176.4-176.6-179.9174.4-177.60111.3R634 N635 M636 Y640 I641 E642R634-K638 PolarHBondContact O-N 2.85Å; N635-K638 PolarHBondContact O-N 3.21Å; M636-K638 VanDerWaalsContact C-N 3.33Å; M636-K638 PolarHBondContact O-N 3.02Å; K638-Y640 VanDerWaalsContact C-N 3.35Å; K638-Y640 PolarHBondContact O-N 3.04Å; K638-I641 PolarHBondContact O-N 3.21Å; K638-E642 WeakPolarHBondContact CE-OE1 3.47Å; K638-E642 WeakPolarHBondContact O-CG 3.36Å; K638-E642 PolarHBondContact O-N 2.8Å
639R91.4Very high92Very high73 Ų7390.7 Ų90.728%0.27543%0.43SS..Hα-helixtrans-63.9-37.5177.4-64.7-49.5-174.5-169.55.8112.7M620 Q623 A624 N635 M636 E642 L643M620-R639 HydrophobicContact CE-CB 4.44Å; M620-R639 VanDerWaalsContact CE-O 3.29Å; M620-R639 WeakPolarHBondContact CE-O 3.45Å; Q623-R639 VanDerWaalsContact OE1-CZ 3.26Å; Q623-R639 VanDerWaalsContact OE1-NH2 3.09Å; A624-R639 HydrophobicContact CB-CB 3.85Å; N635-R639 WeakPolarHBondContact O-CG 3.36Å; N635-R639 PolarHBondContact O-N 2.51Å; M636-R639 PolarHBondContact O-N 2.86Å; R639-E642 WeakPolarHBondContact CD-OE2 3.41Å; R639-E642 IonicContact CZ-OE2 3.64Å; R639-E642 IonicContact NE-OE2 3.98Å; R639-E642 IonicContact NH1-OE1 3.7Å; R639-E642 IonicContact NH1-OE2 2.74Å; R639-E642 PolarHBondContact NH1-OE2 2.99Å; R639-E642 PolarHBondContact O-N 2.92Å; R639-L643 WeakPolarHBondContact O-CB 3.32Å; R639-L643 VanDerWaalsContact O-CG 3.32Å; R639-L643 WeakPolarHBondContact O-CG 3.1Å; R639-L643 PolarHBondContact O-N 3.39Å
640Y92.8Very high91.7Very high109 Ų10986.4 Ų86.443%0.42741%0.408SS..Hα-helixtrans-67.2-34.5174.7-80.3-62.3000113.7A624 M636 K637 K638 L643 Y644A624-Y640 HydrophobicContact CB-CE2 4.44Å; M636-Y640 HydrophobicContact CE-CE2 4.49Å; M636-Y640 HydrophobicContact CG-CD2 3.77Å; M636-Y640 HydrophobicContact CG-CE2 3.49Å; M636-Y640 VanDerWaalsContact CG-CE2 3.49Å; M636-Y640 WeakPolarHBondContact O-CD2 3.4Å; M636-Y640 PolarHBondContact O-N 2.91Å; M636-Y640 HydrophobicContact SD-CE2 4.04Å; K637-Y640 PolarHBondContact O-N 2.99Å; K638-Y640 VanDerWaalsContact C-N 3.35Å; K638-Y640 PolarHBondContact O-N 3.04Å; Y640-L643 HydrophobicContact CD1-CD1 4.18Å; Y640-L643 HydrophobicContact CE1-CD1 4.49Å; Y640-L643 PolarHBondContact O-N 2.8Å; Y640-Y644 WeakPolarHBondContact O-CB 3.23Å; Y640-Y644 PolarHBondContact O-N 2.91Å
641I92.9Very high91.4Very high107 Ų10783.7 Ų83.755%0.54940%0.395SS..Hα-helixtrans-66.4-47.8174.3-68164.3000110.1K637 K638 L643 Y644 D645K637-I641 WeakPolarHBondContact O-CG1 3.41Å; K637-I641 PolarHBondContact O-N 2.8Å; K638-I641 PolarHBondContact O-N 3.21Å; I641-L643 VanDerWaalsContact C-N 3.3Å; I641-L643 PolarHBondContact O-N 2.88Å; I641-Y644 WeakPolarHBondContact O-CB 3.34Å; I641-Y644 PolarHBondContact O-N 3.21Å; I641-Y644 VanDerWaalsContact O-N 3.08Å; I641-D645 PolarHBondContact O-N 2.78Å
642E91.4Very high91.2Very high57 Ų5784.7 Ų84.727%0.26639%0.387SS..Hα-helixtrans-60.2-40.2176.1-71.4168.7-175.300111.4M620 K638 R639 Y644 D645 L646M620-E642 HydrophobicContact CE-CB 3.18Å; M620-E642 HydrophobicContact CE-CG 4.3Å; M620-E642 WeakPolarHBondContact CE-OE2 3.33Å; M620-E642 HydrophobicContact SD-CB 4.32Å; K638-E642 WeakPolarHBondContact CE-OE1 3.47Å; K638-E642 WeakPolarHBondContact O-CG 3.36Å; K638-E642 PolarHBondContact O-N 2.8Å; R639-E642 WeakPolarHBondContact CD-OE2 3.41Å; R639-E642 IonicContact CZ-OE2 3.64Å; R639-E642 IonicContact NE-OE2 3.98Å; R639-E642 IonicContact NH1-OE1 3.7Å; R639-E642 IonicContact NH1-OE2 2.74Å; R639-E642 PolarHBondContact NH1-OE2 2.99Å; R639-E642 PolarHBondContact O-N 2.92Å; E642-Y644 VanDerWaalsContact C-N 3.34Å; E642-Y644 PolarHBondContact O-N 2.89Å; E642-D645 PolarHBondContact O-N 2.55Å; E642-L646 WeakPolarHBondContact O-CB 3.3Å; E642-L646 VanDerWaalsContact O-CG 3.32Å; E642-L646 WeakPolarHBondContact O-CG 3.39Å; E642-L646 PolarHBondContact O-N 2.78Å
643L93.1Very high90.8Very high19 Ų1983.9 Ų83.910%0.09938%0.382CS..Hα-helixtrans-63.6-38173.6-81.3172.1000112.2I617 M620 A624 R639 Y640 I641 N647I617-L643 HydrophobicContact CB-CD2 4.32Å; I617-L643 HydrophobicContact CG1-CD2 4.29Å; I617-L643 HydrophobicContact CG2-CD2 4Å; M620-L643 HydrophobicContact CB-CD2 3.63Å; M620-L643 HydrophobicContact CB-CG 4.03Å; M620-L643 HydrophobicContact CE-CD2 4.32Å; M620-L643 HydrophobicContact CE-CG 3.86Å; M620-L643 HydrophobicContact SD-CD2 4.3Å; M620-L643 HydrophobicContact SD-CG 4.48Å; A624-L643 HydrophobicContact CB-CD1 4.49Å; R639-L643 WeakPolarHBondContact O-CB 3.32Å; R639-L643 VanDerWaalsContact O-CG 3.32Å; R639-L643 WeakPolarHBondContact O-CG 3.1Å; R639-L643 PolarHBondContact O-N 3.39Å; Y640-L643 HydrophobicContact CD1-CD1 4.18Å; Y640-L643 HydrophobicContact CE1-CD1 4.49Å; Y640-L643 PolarHBondContact O-N 2.8Å; I641-L643 VanDerWaalsContact C-N 3.3Å; I641-L643 PolarHBondContact O-N 2.88Å; L643-N647 WeakPolarHBondContact O-CB 3.3Å; L643-N647 PolarHBondContact O-N 2.96Å
644Y92.2Very high90.4Very high154 Ų15485.8 Ų85.860%0.60438%0.383SS*.Hα-helixtrans-65.2-44.4177.8179.1-93000111.4Y640 I641 E642 N647 R648Y640-Y644 WeakPolarHBondContact O-CB 3.23Å; Y640-Y644 PolarHBondContact O-N 2.91Å; I641-Y644 WeakPolarHBondContact O-CB 3.34Å; I641-Y644 PolarHBondContact O-N 3.21Å; I641-Y644 VanDerWaalsContact O-N 3.08Å; E642-Y644 VanDerWaalsContact C-N 3.34Å; E642-Y644 PolarHBondContact O-N 2.89Å; Y644-N647 PolarHBondContact O-N 3.18Å; Y644-R648 PolarHBondContact O-N 2.77Å
645D91.4Very high90.1Very high60 Ų6081.3 Ų81.332%0.32137%0.37SS..Hα-helixtrans-64.2-46.9176.3-74.8-43.1000111.2I641 E642 N647 R648 D649I641-D645 PolarHBondContact O-N 2.78Å; E642-D645 PolarHBondContact O-N 2.55Å; D645-N647 VanDerWaalsContact C-N 3.31Å; D645-N647 PolarHBondContact O-N 3.38Å; D645-R648 WeakPolarHBondContact O-CB 3.3Å; D645-R648 PolarHBondContact O-N 2.87Å; D645-R648 VanDerWaalsContact O-N 3.15Å; D645-R648 IonicContact OD1-CZ 3.75Å; D645-R648 IonicContact OD1-NH1 3.74Å; D645-R648 PolarHBondContact OD1-NH1 3.39Å; D645-R648 IonicContact OD1-NH2 3.95Å; D645-R648 PolarHBondContact OD1-NH2 2.94Å; D645-D649 PolarHBondContact O-N 3.35Å
646L90.7Very high90Very high25 Ų2582.1 Ų82.113%0.13137%0.373CS..Hα-helixtrans-60-39.5175.5-74.5166.3000112.9H616 I617 M620 E642 D649 L650H616-L646 WeakPolarHBondContact CD2-CD1 3.42Å; I617-L646 HydrophobicContact CG1-CB 4.33Å; M620-L646 HydrophobicContact CE-CD1 4.37Å; M620-L646 HydrophobicContact SD-CD1 3.27Å; M620-L646 WeakPolarHBondContact SD-CD1 3.4Å; E642-L646 WeakPolarHBondContact O-CB 3.3Å; E642-L646 VanDerWaalsContact O-CG 3.32Å; E642-L646 WeakPolarHBondContact O-CG 3.39Å; E642-L646 PolarHBondContact O-N 2.78Å; L646-D649 PolarHBondContact O-N 3.34Å; L646-L650 VanDerWaalsContact O-CB 3.3Å; L646-L650 WeakPolarHBondContact O-CB 3.37Å; L646-L650 PolarHBondContact O-N 3.15Å
647N89.7Confident89.6Confident81 Ų8183.5 Ų83.543%0.43338%0.376SS..Hα-helixtrans-66.8-38.9177.3-176.664.9000111.5L643 Y644 D645 D649 I651L643-N647 WeakPolarHBondContact O-CB 3.3Å; L643-N647 PolarHBondContact O-N 2.96Å; Y644-N647 PolarHBondContact O-N 3.18Å; D645-N647 VanDerWaalsContact C-N 3.31Å; D645-N647 PolarHBondContact O-N 3.38Å; N647-D649 VanDerWaalsContact C-N 3.34Å; N647-I651 WeakPolarHBondContact O-CD1 3.37Å; N647-I651 WeakPolarHBondContact O-CG1 3.07Å; N647-I651 PolarHBondContact O-N 2.95Å
648R90Very high89.1Confident115 Ų11579.7 Ų79.743%0.43437%0.366SS..Hα-helixtrans-62.3-44174.3-176.2-17766.1-132.7-11.4110.9Y644 D645 I651 N652Y644-R648 PolarHBondContact O-N 2.77Å; D645-R648 WeakPolarHBondContact O-CB 3.3Å; D645-R648 PolarHBondContact O-N 2.87Å; D645-R648 VanDerWaalsContact O-N 3.15Å; D645-R648 IonicContact OD1-CZ 3.75Å; D645-R648 IonicContact OD1-NH1 3.74Å; D645-R648 PolarHBondContact OD1-NH1 3.39Å; D645-R648 IonicContact OD1-NH2 3.95Å; D645-R648 PolarHBondContact OD1-NH2 2.94Å; R648-I651 PolarHBondContact O-N 2.94Å; R648-N652 PolarHBondContact O-N 2.74Å; R648-N652 VanDerWaalsContact O-N 3.16Å; R648-N652 PolarHBondContact O-ND2 3.41Å
649D88.6Confident88.9Confident68 Ų6879.6 Ų79.636%0.36437%0.371SS..Hα-helixtrans-66.9-43.3-179.6-64.9-12.5000110.8D645 L646 N647 I651 N652 E653D645-D649 PolarHBondContact O-N 3.35Å; L646-D649 PolarHBondContact O-N 3.34Å; N647-D649 VanDerWaalsContact C-N 3.34Å; D649-I651 VanDerWaalsContact C-N 3.34Å; D649-I651 PolarHBondContact O-N 3.32Å; D649-N652 WeakPolarHBondContact O-CB 3.44Å; D649-N652 PolarHBondContact O-N 2.9Å; D649-E653 PolarHBondContact O-N 2.96Å
650L87.3Confident88.8Confident31 Ų3176.9 Ų76.916%0.16236%0.362CS..Hα-helixtrans-62.3-37.9175.5-171.4145.1000112.5H613 I617 L646 N652 E653 Y654H613-L650 HydrophobicContact CB-CD1 3.95Å; I617-L650 HydrophobicContact CD1-CD1 3.78Å; L646-L650 VanDerWaalsContact O-CB 3.3Å; L646-L650 WeakPolarHBondContact O-CB 3.37Å; L646-L650 PolarHBondContact O-N 3.15Å; L650-N652 VanDerWaalsContact C-N 3.3Å; L650-N652 PolarHBondContact O-N 3.1Å; L650-E653 PolarHBondContact O-N 3.38Å; L650-Y654 VanDerWaalsContact O-CB 3.27Å; L650-Y654 WeakPolarHBondContact O-CB 3.17Å; L650-Y654 PolarHBondContact O-N 3.25Å
651I86.5Confident88.4Confident74 Ų7473.6 Ų73.638%0.37935%0.35SS..Hα-helixtrans-62.4-40.2173.6-72164.7000110.9N647 R648 D649 Y654 K655N647-I651 WeakPolarHBondContact O-CD1 3.37Å; N647-I651 WeakPolarHBondContact O-CG1 3.07Å; N647-I651 PolarHBondContact O-N 2.95Å; R648-I651 PolarHBondContact O-N 2.94Å; D649-I651 VanDerWaalsContact C-N 3.34Å; D649-I651 PolarHBondContact O-N 3.32Å; I651-Y654 PolarHBondContact O-N 2.9Å; I651-K655 HydrophobicContact CG2-CD 4.43Å; I651-K655 WeakPolarHBondContact O-CG 3.49Å; I651-K655 PolarHBondContact O-N 3.02Å
652N88.7Confident88.1Confident75 Ų7572.8 Ų72.840%0.40135%0.347SS..Hα-helixtrans-68.2-45.4177.7-68.5-28000111.3R648 D649 L650 Y654 K655 I656R648-N652 PolarHBondContact O-N 2.74Å; R648-N652 VanDerWaalsContact O-N 3.16Å; R648-N652 PolarHBondContact O-ND2 3.41Å; D649-N652 WeakPolarHBondContact O-CB 3.44Å; D649-N652 PolarHBondContact O-N 2.9Å; L650-N652 VanDerWaalsContact C-N 3.3Å; L650-N652 PolarHBondContact O-N 3.1Å; N652-Y654 VanDerWaalsContact C-N 3.3Å; N652-Y654 PolarHBondContact O-N 3.23Å; N652-K655 PolarHBondContact O-N 2.95Å; N652-I656 WeakPolarHBondContact O-CG1 3.49Å; N652-I656 PolarHBondContact O-N 2.92Å
653E86.3Confident88Confident41 Ų4171.4 Ų71.419%0.19235%0.346CS..Hα-helixtrans-59-41.3173.9-71.1-172.4164.100111.8I610 H613 D649 L650 I656 R657I610-E653 HydrophobicContact CD1-CB 4.48Å; I610-E653 HydrophobicContact CG1-CB 4.18Å; H613-E653 IonicContact CE1-OE1 2.75Å; H613-E653 PolarHBondContact CE1-OE1 3.37Å; H613-E653 IonicContact CE1-OE2 2.71Å; H613-E653 PolarHBondContact CE1-OE2 3.19Å; H613-E653 IonicContact ND1-OE1 2.83Å; H613-E653 IonicContact ND1-OE2 2.71Å; H613-E653 PolarHBondContact ND1-OE2 3.03Å; D649-E653 PolarHBondContact O-N 2.96Å; L650-E653 PolarHBondContact O-N 3.38Å; E653-I656 PolarHBondContact O-N 3.47Å; E653-R657 WeakPolarHBondContact O-CB 3.29Å; E653-R657 PolarHBondContact O-N 3.46Å
654Y83.2Confident87.7Confident141 Ų14171 Ų7155%0.55334%0.343SS*.Hα-helixtrans-64.9-40.6177.6-168-91.7000112.1L650 I651 N652 R657 S658L650-Y654 VanDerWaalsContact O-CB 3.27Å; L650-Y654 WeakPolarHBondContact O-CB 3.17Å; L650-Y654 PolarHBondContact O-N 3.25Å; I651-Y654 PolarHBondContact O-N 2.9Å; N652-Y654 VanDerWaalsContact C-N 3.3Å; N652-Y654 PolarHBondContact O-N 3.23Å; Y654-R657 PolarHBondContact O-N 3.01Å; Y654-S658 WeakPolarHBondContact O-CB 3.47Å; Y654-S658 PolarHBondContact O-N 3.24Å
655K85.4Confident87.4Confident120 Ų12064.7 Ų64.752%0.52232%0.32SS..Hα-helixtrans-61.3-44.6173.4-74.9172.9-178.2176.40111.5I651 N652 S658 N659I651-K655 HydrophobicContact CG2-CD 4.43Å; I651-K655 WeakPolarHBondContact O-CG 3.49Å; I651-K655 PolarHBondContact O-N 3.02Å; N652-K655 PolarHBondContact O-N 2.95Å; K655-S658 PolarHBondContact O-N 3.48Å; K655-N659 WeakPolarHBondContact O-CB 3.27Å; K655-N659 VanDerWaalsContact O-CG 3.32Å; K655-N659 PolarHBondContact O-N 3.16Å
656I88.7Confident87.2Confident96 Ų9664.7 Ų64.749%0.49233%0.328SS..Hα-helixtrans-62.6-45.6177-64.6165.6000110L606 N652 E653 S658 N659 N660L606-I656 HydrophobicContact CD1-CG2 3.92Å; L606-I656 HydrophobicContact CD2-CG2 4.46Å; N652-I656 WeakPolarHBondContact O-CG1 3.49Å; N652-I656 PolarHBondContact O-N 2.92Å; E653-I656 PolarHBondContact O-N 3.47Å; I656-S658 PolarHBondContact O-N 3.43Å; I656-N659 PolarHBondContact O-N 2.84Å; I656-N660 WeakPolarHBondContact O-CB 3.35Å; I656-N660 PolarHBondContact O-N 3.06Å
657R84.3Confident87.2Confident67 Ų6764.2 Ų64.225%0.25333%0.327SS..Hα-helixtrans-61.5-43.5177.2-178.4176177.2-157.80112.1H603 L606 T607 I610 E653 Y654 N660 H661H603-R657 PolarHBondContact CE1-NE 2.83Å; L606-R657 HydrophobicContact CB-CB 4.42Å; L606-R657 HydrophobicContact CD1-CB 4.1Å; T607-R657 PolarHBondContact OG1-NE 2.88Å; T607-R657 PolarHBondContact OG1-NH2 3.02Å; I610-R657 HydrophobicContact CD1-CB 4.22Å; I610-R657 VanDerWaalsContact CD1-CD 3.49Å; I610-R657 HydrophobicContact CD1-CG 4.49Å; E653-R657 WeakPolarHBondContact O-CB 3.29Å; E653-R657 PolarHBondContact O-N 3.46Å; Y654-R657 PolarHBondContact O-N 3.01Å; R657-N660 PolarHBondContact O-N 3.15Å; R657-H661 VanDerWaalsContact O-CB 3.23Å; R657-H661 WeakPolarHBondContact O-CB 3.33Å; R657-H661 PolarHBondContact O-N 2.96Å
658S82.6Confident87.1Confident48 Ų4861.5 Ų61.534%0.33631%0.312SS..Hα-helixtrans-62.8-43.7177.9-172.20000111.2Y654 K655 I656 H661 N662Y654-S658 WeakPolarHBondContact O-CB 3.47Å; Y654-S658 PolarHBondContact O-N 3.24Å; K655-S658 PolarHBondContact O-N 3.48Å; I656-S658 PolarHBondContact O-N 3.43Å; S658-H661 PolarHBondContact O-N 3.4Å; S658-N662 WeakPolarHBondContact O-CB 3.46Å; S658-N662 PolarHBondContact O-N 2.83Å; S658-N662 PolarHBondContact O-ND2 2.87Å
659N88.7Confident87Confident110 Ų11058.3 Ų58.359%0.58830%0.301SS*.Hα-helixtrans-65.2-45.5176.9-72-11.9000111.6K655 I656 H661 N662 A663K655-N659 WeakPolarHBondContact O-CB 3.27Å; K655-N659 VanDerWaalsContact O-CG 3.32Å; K655-N659 PolarHBondContact O-N 3.16Å; I656-N659 PolarHBondContact O-N 2.84Å; N659-H661 VanDerWaalsContact C-N 3.32Å; N659-H661 PolarHBondContact O-N 3.44Å; N659-N662 PolarHBondContact O-N 2.76Å; N659-A663 WeakPolarHBondContact O-CB 3.34Å; N659-A663 PolarHBondContact O-N 2.9Å
660N89.6Confident87.1Confident16 Ų1656.9 Ų56.99%0.08630%0.297CS..Hα-helixtrans-59.5-42.5175.4-174.795.5000111.7Y599 V602 I656 R657 A663 L664Y599-N660 VanDerWaalsContact CD1-OD1 3.32Å; Y599-N660 WeakPolarHBondContact CD1-OD1 3.44Å; Y599-N660 PolarHBondContact O-ND2 3.19Å; V602-N660 VanDerWaalsContact CG1-OD1 3.29Å; V602-N660 WeakPolarHBondContact CG1-OD1 3.36Å; I656-N660 WeakPolarHBondContact O-CB 3.35Å; I656-N660 PolarHBondContact O-N 3.06Å; R657-N660 PolarHBondContact O-N 3.15Å; N660-A663 PolarHBondContact O-N 2.89Å; N660-L664 VanDerWaalsContact O-CB 3.3Å; N660-L664 WeakPolarHBondContact O-CB 3.49Å; N660-L664 PolarHBondContact O-N 3.35Å
661H84.3Confident87.3Confident40 Ų4055.9 Ų55.919%0.18529%0.292CS..Hα-helixtrans-67.1-42.9178.6-176.763.9000111.9H603 R657 S658 N659 A663 L664 L665H603-H661 AromaticContact CE1-ND1 3.98Å; R657-H661 VanDerWaalsContact O-CB 3.23Å; R657-H661 WeakPolarHBondContact O-CB 3.33Å; R657-H661 PolarHBondContact O-N 2.96Å; S658-H661 PolarHBondContact O-N 3.4Å; N659-H661 VanDerWaalsContact C-N 3.32Å; N659-H661 PolarHBondContact O-N 3.44Å; H661-A663 VanDerWaalsContact C-N 3.35Å; H661-A663 PolarHBondContact O-N 3.03Å; H661-L664 WeakPolarHBondContact O-CB 3.34Å; H661-L664 PolarHBondContact O-N 2.93Å; H661-L665 WeakPolarHBondContact O-CG 3.4Å; H661-L665 PolarHBondContact O-N 3.38Å
662N86.4Confident87.4Confident90 Ų9053 Ų5348%0.48128%0.277SS..Hα-helixtrans-63-41.3175.8-70.1-15.8000111.9S658 N659 L665 A666S658-N662 WeakPolarHBondContact O-CB 3.46Å; S658-N662 PolarHBondContact O-N 2.83Å; S658-N662 PolarHBondContact O-ND2 2.87Å; N659-N662 PolarHBondContact O-N 2.76Å; N662-L665 PolarHBondContact O-N 2.88Å; N662-A666 PolarHBondContact O-N 2.79Å
663A89.6Confident87.5Confident29 Ų2951.5 Ų51.524%0.2427%0.268CS..Hα-helixtrans-63.6-45.1174.400000111.4Y599 N659 N660 H661 L665 A666 C667Y599-A663 HydrophobicContact CE1-CB 4.13Å; Y599-A663 HydrophobicContact CE2-CB 4.02Å; N659-A663 WeakPolarHBondContact O-CB 3.34Å; N659-A663 PolarHBondContact O-N 2.9Å; N660-A663 PolarHBondContact O-N 2.89Å; H661-A663 VanDerWaalsContact C-N 3.35Å; H661-A663 PolarHBondContact O-N 3.03Å; A663-L665 PolarHBondContact O-N 2.83Å; A663-A666 WeakPolarHBondContact O-CB 3.48Å; A663-A666 PolarHBondContact O-N 2.79Å; A663-A666 VanDerWaalsContact O-N 3.16Å; A663-C667 PolarHBondContact O-N 3.04Å; A663-C667 PolarHBondContact O-SG 2.71Å; A663-C667 VanDerWaalsContact O-SG 3.32Å
664L87.6Confident87.8Confident10 Ų1049.6 Ų49.65%0.05226%0.259CS..Hα-helixtrans-57.7-46.5175.6176.759.4000112V596 H600 N660 H661 A666 C667 L668V596-L664 HydrophobicContact CG1-CD1 4.07Å; H600-L664 VanDerWaalsContact CE1-CD1 3.49Å; H600-L664 WeakPolarHBondContact CE1-CD1 3.42Å; H600-L664 WeakPolarHBondContact ND1-CD1 3.41Å; N660-L664 VanDerWaalsContact O-CB 3.3Å; N660-L664 WeakPolarHBondContact O-CB 3.49Å; N660-L664 PolarHBondContact O-N 3.35Å; H661-L664 WeakPolarHBondContact O-CB 3.34Å; H661-L664 PolarHBondContact O-N 2.93Å; L664-A666 VanDerWaalsContact C-N 3.31Å; L664-A666 PolarHBondContact O-N 3.03Å; L664-C667 PolarHBondContact O-N 3.23Å; L664-L668 HydrophobicContact CD1-CD1 4.31Å; L664-L668 HydrophobicContact CD1-CG 4.17Å; L664-L668 HydrophobicContact CG-CD1 4.19Å; L664-L668 HydrophobicContact CG-CG 4.46Å; L664-L668 WeakPolarHBondContact O-CG 3.32Å; L664-L668 PolarHBondContact O-N 2.95Å
665L85.8Confident88.2Confident21 Ų2143 Ų4311%0.1123%0.233CC..Hα-helixtrans-61.9-38.3177.4-71.5175.8000112T117 H661 N662 A663 L668 K669T117-L665 WeakPolarHBondContact O-CD2 3.39Å; H661-L665 WeakPolarHBondContact O-CG 3.4Å; H661-L665 PolarHBondContact O-N 3.38Å; N662-L665 PolarHBondContact O-N 2.88Å; A663-L665 PolarHBondContact O-N 2.83Å; L665-L668 PolarHBondContact O-N 3.49Å; L665-K669 WeakPolarHBondContact O-CB 3.3Å; L665-K669 PolarHBondContact O-N 2.9Å
666A88.1Confident88.4Confident60 Ų6038.1 Ų38.150%0.49621%0.213SC..Hα-helixtrans-65.7-41.1175.400000111.9N662 A663 L664 K669 S670N662-A666 PolarHBondContact O-N 2.79Å; A663-A666 WeakPolarHBondContact O-CB 3.48Å; A663-A666 PolarHBondContact O-N 2.79Å; A663-A666 VanDerWaalsContact O-N 3.16Å; L664-A666 VanDerWaalsContact C-N 3.31Å; L664-A666 PolarHBondContact O-N 3.03Å; A666-K669 PolarHBondContact O-N 3.1Å; A666-S670 PolarHBondContact O-N 3.12Å
667C90.4Very high88.6Confident15 Ų1536 Ų3610%0.10120%0.199CC..Hα-helixtrans-66.3-44175.3-63.40000111.7T592 V596 A663 L664 K669 S670 V671T592-C667 HydrophobicContact CG2-CB 3.8Å; V596-C667 HydrophobicContact CG2-CB 3.55Å; A663-C667 PolarHBondContact O-N 3.04Å; A663-C667 PolarHBondContact O-SG 2.71Å; A663-C667 VanDerWaalsContact O-SG 3.32Å; L664-C667 PolarHBondContact O-N 3.23Å; C667-K669 VanDerWaalsContact C-N 3.31Å; C667-K669 PolarHBondContact O-N 3.39Å; C667-S670 WeakPolarHBondContact O-CB 3.19Å; C667-S670 PolarHBondContact O-N 2.82Å; C667-S670 VanDerWaalsContact O-N 3.17Å; C667-V671 WeakPolarHBondContact O-CG2 3.32Å; C667-V671 PolarHBondContact O-N 3.07Å
668L86.8Confident89Confident25 Ų2533 Ų3313%0.13119%0.187CC..Hα-helixtrans-60.1-41.8174.7-72.5176.7000111.6V596 L664 L665 S670 V671 N672V596-L668 HydrophobicContact CG1-CD2 4.06Å; L664-L668 HydrophobicContact CD1-CD1 4.31Å; L664-L668 HydrophobicContact CD1-CG 4.17Å; L664-L668 HydrophobicContact CG-CD1 4.19Å; L664-L668 HydrophobicContact CG-CG 4.46Å; L664-L668 WeakPolarHBondContact O-CG 3.32Å; L664-L668 PolarHBondContact O-N 2.95Å; L665-L668 PolarHBondContact O-N 3.49Å; L668-S670 PolarHBondContact O-N 3.11Å; L668-V671 PolarHBondContact O-N 2.71Å; L668-N672 PolarHBondContact O-N 2.62Å
669K88.6Confident89.4Confident47 Ų4730.7 Ų30.720%0.20417%0.171CC..Hα-helixtrans-58.8-47.1173.2-176.2175.2179.91700111.4D161 L665 A666 C667 V671 N672 Q673D161-K669 WeakPolarHBondContact OD1-CE 3.27Å; D161-K669 IonicContact OD1-NZ 3.22Å; D161-K669 PolarHBondContact OD1-NZ 3.37Å; D161-K669 IonicContact OD2-NZ 2.7Å; L665-K669 WeakPolarHBondContact O-CB 3.3Å; L665-K669 PolarHBondContact O-N 2.9Å; A666-K669 PolarHBondContact O-N 3.1Å; C667-K669 VanDerWaalsContact C-N 3.31Å; C667-K669 PolarHBondContact O-N 3.39Å; K669-V671 VanDerWaalsContact C-N 3.34Å; K669-V671 PolarHBondContact O-N 2.66Å; K669-N672 PolarHBondContact O-N 2.86Å; K669-Q673 VanDerWaalsContact CE-NE2 3.33Å; K669-Q673 HydrophobicContact CG-CG 4.5Å; K669-Q673 WeakPolarHBondContact O-CB 3.45Å; K669-Q673 WeakPolarHBondContact O-CG 3.28Å; K669-Q673 PolarHBondContact O-N 3.5Å
670S90.6Very high89.5Confident39 Ų3927 Ų2727%0.27315%0.149SC..Hα-helixtrans-60.4-41.8177.3-176.80000112.3A666 C667 L668 Q673 A674A666-S670 PolarHBondContact O-N 3.12Å; C667-S670 WeakPolarHBondContact O-CB 3.19Å; C667-S670 PolarHBondContact O-N 2.82Å; C667-S670 VanDerWaalsContact O-N 3.17Å; L668-S670 PolarHBondContact O-N 3.11Å; S670-Q673 PolarHBondContact O-N 2.66Å; S670-A674 WeakPolarHBondContact O-CB 3.3Å; S670-A674 PolarHBondContact O-N 3.13Å
671V91.1Very high89.7Confident10 Ų1026.3 Ų26.36%0.06115%0.146CC..Hα-helixtrans-63.6-47.3175.7173.10000111.1L589 T592 L593 V596 C667 L668 K669 Q673 A674 I675 I698L589-V671 HydrophobicContact CD1-CG2 4.26Å; T592-V671 HydrophobicContact CG2-CG2 4.21Å; L593-V671 HydrophobicContact CD2-CG1 4.06Å; L593-V671 HydrophobicContact CD2-CG2 3.75Å; L593-V671 HydrophobicContact CG-CG2 4.3Å; V596-V671 HydrophobicContact CG2-CG2 4.49Å; C667-V671 WeakPolarHBondContact O-CG2 3.32Å; C667-V671 PolarHBondContact O-N 3.07Å; L668-V671 PolarHBondContact O-N 2.71Å; K669-V671 VanDerWaalsContact C-N 3.34Å; K669-V671 PolarHBondContact O-N 2.66Å; V671-Q673 PolarHBondContact O-N 3.5Å; V671-A674 WeakPolarHBondContact O-CB 3.46Å; V671-A674 PolarHBondContact O-N 3.38Å; V671-A674 VanDerWaalsContact O-N 3.15Å; V671-I675 HydrophobicContact CG1-CD1 4.46Å; V671-I675 WeakPolarHBondContact O-CG1 3.45Å; V671-I675 PolarHBondContact O-N 3.1Å; V671-I675 VanDerWaalsContact O-N 3.08Å; V671-I698 HydrophobicContact CG1-CD1 3.88Å
672N89.8Confident90.2Very high12 Ų1224.4 Ų24.46%0.06414%0.137CC..Hα-helixtrans-61.9-43.2177.2-72.8-21.3000111.3D118 N141 C142 V158 L668 K669 A674 I675 Q676D118-N672 PolarHBondContact OD1-ND2 2.75Å; N141-N672 PolarHBondContact O-ND2 2.76Å; C142-N672 HydrophobicContact CB-CB 3.65Å; V158-N672 HydrophobicContact CG2-CB 3.98Å; V158-N672 VanDerWaalsContact CG2-O 3.3Å; V158-N672 WeakPolarHBondContact CG2-O 3.39Å; L668-N672 PolarHBondContact O-N 2.62Å; K669-N672 PolarHBondContact O-N 2.86Å; N672-A674 VanDerWaalsContact C-N 3.31Å; N672-A674 PolarHBondContact O-N 3.25Å; N672-I675 PolarHBondContact O-N 2.87Å; N672-Q676 PolarHBondContact O-N 2.89Å
673Q90.5Very high90.4Very high45 Ų4521 Ų2121%0.2112%0.119CC..Hα-helixtrans-60.7-38.2173.7-75.1-178.9-16.400112.4K669 S670 V671 I675 Q676 R677K669-Q673 VanDerWaalsContact CE-NE2 3.33Å; K669-Q673 HydrophobicContact CG-CG 4.5Å; K669-Q673 WeakPolarHBondContact O-CB 3.45Å; K669-Q673 WeakPolarHBondContact O-CG 3.28Å; K669-Q673 PolarHBondContact O-N 3.5Å; S670-Q673 PolarHBondContact O-N 2.66Å; V671-Q673 PolarHBondContact O-N 3.5Å; Q673-I675 PolarHBondContact O-N 3.24Å; Q673-Q676 PolarHBondContact O-N 3.41Å; Q673-R677 WeakPolarHBondContact O-CB 3.21Å; Q673-R677 VanDerWaalsContact O-CG 3.27Å; Q673-R677 WeakPolarHBondContact O-CG 3.45Å; Q673-R677 PolarHBondContact O-N 3.37Å
674A92.1Very high90.4Very high1 Ų120.7 Ų20.71%0.00812%0.119CC..Hα-helixtrans-64-39.717600000112.6Y585 L589 S670 V671 N672 Q676 A678 M710Y585-A674 HydrophobicContact CE1-CB 4.34Å; Y585-A674 WeakPolarHBondContact OH-CA 3.46Å; Y585-A674 VanDerWaalsContact OH-CB 3.31Å; Y585-A674 WeakPolarHBondContact OH-CB 3.3Å; L589-A674 HydrophobicContact CD1-CB 3.67Å; L589-A674 HydrophobicContact CD2-CB 3.66Å; L589-A674 HydrophobicContact CG-CB 4.3Å; S670-A674 WeakPolarHBondContact O-CB 3.3Å; S670-A674 PolarHBondContact O-N 3.13Å; V671-A674 WeakPolarHBondContact O-CB 3.46Å; V671-A674 PolarHBondContact O-N 3.38Å; V671-A674 VanDerWaalsContact O-N 3.15Å; N672-A674 VanDerWaalsContact C-N 3.31Å; N672-A674 PolarHBondContact O-N 3.25Å; A674-Q676 VanDerWaalsContact C-N 3.34Å; A674-A678 WeakPolarHBondContact O-CB 3.43Å; A674-A678 PolarHBondContact O-N 3.15Å; A674-M710 HydrophobicContact CB-CE 4.41Å
675I91.6Very high90.5Very high1 Ų126.1 Ų26.11%0.00514%0.142CC..Hα-helixtrans-62.9-44.4173.7-59.4167.1000110.1W156 V158 V671 N672 Q673 A678 G679 I691 C694 I698 M710W156-I675 HydrophobicContact CH2-CD1 4.39Å; V158-I675 HydrophobicContact CG1-CG2 4.17Å; V671-I675 HydrophobicContact CG1-CD1 4.46Å; V671-I675 WeakPolarHBondContact O-CG1 3.45Å; V671-I675 PolarHBondContact O-N 3.1Å; V671-I675 VanDerWaalsContact O-N 3.08Å; N672-I675 PolarHBondContact O-N 2.87Å; Q673-I675 PolarHBondContact O-N 3.24Å; I675-A678 PolarHBondContact O-N 2.87Å; I675-G679 PolarHBondContact O-N 2.98Å; I675-I691 HydrophobicContact CG2-CB 4.43Å; I675-I691 HydrophobicContact CG2-CG1 4.29Å; I675-I691 HydrophobicContact CG2-CG2 4.35Å; I675-C694 HydrophobicContact CG1-CB 4.14Å; I675-C694 HydrophobicContact CG2-CB 3.83Å; I675-I698 HydrophobicContact CD1-CD1 3.47Å; I675-I698 VanDerWaalsContact CD1-CD1 3.47Å; I675-I698 HydrophobicContact CG1-CD1 4.17Å; I675-M710 HydrophobicContact CG1-CE 4.06Å
676Q90.2Very high90.8Very high19 Ų1925.9 Ų25.99%0.08914%0.142CC..Hα-helixtrans-63.3-45.4179.3-170.1-91.21600111.7V158 N672 Q673 A674 G679 R680V158-Q676 HydrophobicContact CG1-CB 3.93Å; V158-Q676 HydrophobicContact CG1-CG 4.34Å; V158-Q676 HydrophobicContact CG2-CB 4.14Å; N672-Q676 PolarHBondContact O-N 2.89Å; Q673-Q676 PolarHBondContact O-N 3.41Å; A674-Q676 VanDerWaalsContact C-N 3.34Å; Q676-G679 CarbonylContact O-C 3.56Å; Q676-G679 WeakPolarHBondContact O-CA 3.41Å; Q676-G679 PolarHBondContact O-N 3.35Å; Q676-G679 VanDerWaalsContact O-N 3.08Å; Q676-R680 PolarHBondContact O-N 3.2Å; Q676-R680 VanDerWaalsContact OE1-CD 3.25Å
677R91.9Very high90.9Very high52 Ų5224 Ų2420%0.19612%0.122CC..Hα-helixtrans-59.7-46.6175.9-76.2166.2167.6168.30.5111.6I557 D558 Y585 Q673 G679 R680 L681I557-R677 HydrophobicContact CD1-CB 4.02Å; I557-R677 HydrophobicContact CG1-CB 4.31Å; I557-R677 HydrophobicContact CG2-CG 4.38Å; D558-R677 VanDerWaalsContact CG-NE 3.35Å; D558-R677 WeakPolarHBondContact OD1-CG 3.32Å; D558-R677 IonicContact OD1-CZ 3.84Å; D558-R677 IonicContact OD1-NE 2.82Å; D558-R677 PolarHBondContact OD1-NE 2.8Å; D558-R677 IonicContact OD1-NH2 3.88Å; D558-R677 IonicContact OD2-CZ 2.89Å; D558-R677 IonicContact OD2-NE 3.32Å; D558-R677 PolarHBondContact OD2-NE 3.4Å; D558-R677 IonicContact OD2-NH2 3.21Å; D558-R677 PolarHBondContact OD2-NH2 2.98Å; Y585-R677 WeakPolarHBondContact OH-CD 3.42Å; Y585-R677 PolarHBondContact OH-NH1 3.39Å; Y585-R677 VanDerWaalsContact OH-NH1 3.08Å; Q673-R677 WeakPolarHBondContact O-CB 3.21Å; Q673-R677 VanDerWaalsContact O-CG 3.27Å; Q673-R677 WeakPolarHBondContact O-CG 3.45Å; Q673-R677 PolarHBondContact O-N 3.37Å; R677-G679 PolarHBondContact O-N 3.01Å; R677-R680 PolarHBondContact O-N 3.45Å; R677-R680 VanDerWaalsContact O-N 3.08Å; R677-L681 PolarHBondContact O-N 3.48Å
678A92.7Very high90.7Very high2 Ų224.2 Ų24.22%0.01712%0.122CC..Hα-helixtrans-60.1-34.5174.700000112.4A674 I675 R682 V690 M710A674-A678 WeakPolarHBondContact O-CB 3.43Å; A674-A678 PolarHBondContact O-N 3.15Å; I675-A678 PolarHBondContact O-N 2.87Å; A678-R682 PolarHBondContact O-NH1 3.34Å; A678-V690 HydrophobicContact CB-CG1 4.26Å; A678-M710 HydrophobicContact CB-CB 4.08Å; A678-M710 HydrophobicContact CB-CE 4.47Å; A678-M710 HydrophobicContact CB-CG 3.72Å; A678-M710 HydrophobicContact CB-SD 4.42Å
679G91Very high90.8Very high0 Ų028.5 Ų28.50%014%0.142CC..Hα-helixtrans-67.8-43.4170.900000113.2I675 Q676 R677 L681 R682 K687I675-G679 PolarHBondContact O-N 2.98Å; Q676-G679 CarbonylContact O-C 3.56Å; Q676-G679 WeakPolarHBondContact O-CA 3.41Å; Q676-G679 PolarHBondContact O-N 3.35Å; Q676-G679 VanDerWaalsContact O-N 3.08Å; R677-G679 PolarHBondContact O-N 3.01Å; G679-L681 PolarHBondContact O-N 3.34Å; G679-R682 PolarHBondContact O-N 3.19Å; G679-R682 VanDerWaalsContact O-O 3.09Å; G679-K687 WeakPolarHBondContact O-CG 3.27Å
680R91.1Very high91Very high34 Ų3426.2 Ų26.213%0.12813%0.132CC..Hα-helixtrans-64.5-17.6179.1-74.9-175.781.5101.5-10.4114.1E199 D562 Q565 Q676 R677 R682E199-R680 IonicContact OE1-NH1 3.01Å; E199-R680 PolarHBondContact OE1-NH1 3.12Å; E199-R680 IonicContact OE2-NH1 2.72Å; D562-R680 IonicContact OD1-CZ 2.75Å; D562-R680 IonicContact OD1-NE 2.82Å; D562-R680 IonicContact OD1-NH2 3.24Å; D562-R680 PolarHBondContact OD1-NH2 2.75Å; Q565-R680 PolarHBondContact NE2-O 2.99Å; Q676-R680 PolarHBondContact O-N 3.2Å; Q676-R680 VanDerWaalsContact OE1-CD 3.25Å; R677-R680 PolarHBondContact O-N 3.45Å; R677-R680 VanDerWaalsContact O-N 3.08Å; R680-R682 PolarHBondContact O-N 3.44Å
681L94.5Very high90.9Very high1 Ų124.7 Ų24.71%0.00512%0.121CC..THydrogen-bonded Turntrans-72-1.4170.7-63.2176.6000113.1V498 I557 A560 A578 A580 F582 R677 G679V498-L681 HydrophobicContact CG2-CD1 4.47Å; V498-L681 HydrophobicContact CG2-CD2 4Å; I557-L681 HydrophobicContact CD1-CD1 4.21Å; I557-L681 HydrophobicContact CG1-CD1 4.13Å; I557-L681 HydrophobicContact CG1-CD2 4.47Å; A560-L681 HydrophobicContact CB-CD2 3.9Å; A578-L681 WeakPolarHBondContact CB-O 3.42Å; A580-L681 HydrophobicContact CB-CD1 3.6Å; F582-L681 HydrophobicContact CE2-CD1 3.89Å; R677-L681 PolarHBondContact O-N 3.48Å; G679-L681 PolarHBondContact O-N 3.34Å
682R93.4Very high90.8Very high0 Ų027.2 Ų27.20%014%0.136CC..SBendtrans-134.6159.2-176.7-66.2168.4-178.489.76.1110.6Q565 L576 Q577 A578 A678 G679 R680 P686 K687 M710 K711 G713Q565-R682 PolarHBondContact NE2-O 3.4Å; L576-R682 WeakPolarHBondContact O-CA 3.48Å; L576-R682 WeakPolarHBondContact O-CB 3.24Å; Q577-R682 VanDerWaalsContact OE1-NE 3.12Å; A578-R682 HydrophobicContact CB-CG 4.42Å; A578-R682 PolarHBondContact O-NE 2.57Å; A578-R682 PolarHBondContact O-NH2 3.48Å; A678-R682 PolarHBondContact O-NH1 3.34Å; G679-R682 PolarHBondContact O-N 3.19Å; G679-R682 VanDerWaalsContact O-O 3.09Å; R680-R682 PolarHBondContact O-N 3.44Å; R682-P686 HydrophobicContact CB-CB 4.24Å; R682-K687 HydrophobicContact CB-CB 4.42Å; R682-M710 PolarHBondContact NH1-O 3.33Å; R682-M710 PolarHBondContact NH2-O 2.98Å; R682-M710 VanDerWaalsContact NH2-O 3.15Å; R682-K711 PolarHBondContact NH2-O 3.49Å; R682-G713 VanDerWaalsContact NH2-CA 3.31Å; R682-G713 VanDerWaalsContact NH2-N 3.12Å
683V91.5Very high90.8Very high19 Ų1928 Ų2812%0.11514%0.144CC..BIsolated β-bridgetrans-127.8140.4-176.3-171.70000109.3V564 A568 D575 L576 P686V564-V683 HydrophobicContact CG1-CG2 4.15Å; A568-V683 HydrophobicContact CB-CB 4.29Å; A568-V683 HydrophobicContact CB-CG1 4.17Å; A568-V683 HydrophobicContact CB-CG2 3.62Å; D575-V683 WeakPolarHBondContact CA-O 3.22Å; L576-V683 HydrophobicContact CB-CB 3.83Å; L576-V683 HydrophobicContact CB-CG2 4.04Å; L576-V683 HydrophobicContact CD2-CG2 4.32Å; L576-V683 PolarHBondContact N-O 2.92Å; L576-V683 PolarHBondContact O-N 3.22Å; V683-P686 WeakPolarHBondContact O-CD 3.29Å
684G89.4Confident90.8Very high22 Ų2225.9 Ų25.923%0.22713%0.134CC..SBendtrans72.6-143.918000000113.8E574 D575 P686 K687E574-G684 WeakPolarHBondContact O-CA 3.43Å; E574-G684 PolarHBondContact O-N 3.37Å; D575-G684 WeakPolarHBondContact OD1-CA 3.24Å; G684-P686 VanDerWaalsContact C-CD 3.45Å; G684-K687 VanDerWaalsContact O-CB 3.25Å; G684-K687 WeakPolarHBondContact O-CB 3.4Å; G684-K687 PolarHBondContact O-N 3.07Å; G684-K687 VanDerWaalsContact O-N 3.08Å
685K89.4Confident90.6Very high123 Ų12327.7 Ų27.754%0.53514%0.141SC..Hα-helixtrans-56-40-175-64.1167.9-174.6150.10114.5D575 K687 N688 Q689D575-K685 PolarHBondContact OD1-N 3.12Å; D575-K685 IonicContact OD2-NZ 3.78Å; K685-K687 PolarHBondContact O-N 3.36Å; K685-N688 PolarHBondContact O-N 2.87Å; K685-N688 VanDerWaalsContact O-N 3.15Å; K685-Q689 WeakPolarHBondContact O-CG 3.39Å; K685-Q689 PolarHBondContact O-N 2.91Å; K685-Q689 VanDerWaalsContact O-N 3.13Å
686P91.9Very high90.4Very high17 Ų1731.3 Ų31.311%0.1116%0.16CC..Hα-helixtrans-57.7-28.9177.1-24.732.8000114.3Q577 R682 V683 G684 V690Q577-P686 VanDerWaalsContact OE1-CB 3.28Å; R682-P686 HydrophobicContact CB-CB 4.24Å; V683-P686 WeakPolarHBondContact O-CD 3.29Å; G684-P686 VanDerWaalsContact C-CD 3.45Å; P686-V690 WeakPolarHBondContact O-CG2 3.41Å; P686-V690 PolarHBondContact O-N 3.4Å; P686-V690 VanDerWaalsContact O-N 3.15Å
687K90.2Very high90.3Very high21 Ų2130.6 Ų30.69%0.09116%0.158CC..Hα-helixtrans-62-49.7174.7177.3172.2-179.1177.80111.4G679 R682 G684 K685 Q689 V690 I691G679-K687 WeakPolarHBondContact O-CG 3.27Å; R682-K687 HydrophobicContact CB-CB 4.42Å; G684-K687 VanDerWaalsContact O-CB 3.25Å; G684-K687 WeakPolarHBondContact O-CB 3.4Å; G684-K687 PolarHBondContact O-N 3.07Å; G684-K687 VanDerWaalsContact O-N 3.08Å; K685-K687 PolarHBondContact O-N 3.36Å; K687-Q689 PolarHBondContact O-N 3.08Å; K687-V690 PolarHBondContact O-N 3.29Å; K687-I691 HydrophobicContact CG-CD1 4.03Å; K687-I691 WeakPolarHBondContact O-CG1 3.32Å; K687-I691 PolarHBondContact O-N 3.46Å; K687-I691 VanDerWaalsContact O-N 3.09Å
688N85.9Confident90.1Very high18 Ų1831.1 Ų31.110%0.09616%0.164CC..Hα-helixtrans-68.7-37.2-177.1-52-18.1000111.4D194 E195 K685 V690 I691 T692D194-N688 PolarHBondContact O-ND2 3.49Å; D194-N688 PolarHBondContact O-OD1 3.22Å; E195-N688 WeakPolarHBondContact CA-ND2 3.37Å; K685-N688 PolarHBondContact O-N 2.87Å; K685-N688 VanDerWaalsContact O-N 3.15Å; N688-V690 VanDerWaalsContact C-N 3.34Å; N688-V690 PolarHBondContact O-N 3.22Å; N688-I691 PolarHBondContact O-N 2.93Å; N688-T692 WeakPolarHBondContact O-CB 3.36Å; N688-T692 PolarHBondContact O-N 3.39Å; N688-T692 PolarHBondContact O-OG1 3.07Å
689Q89.8Confident89.6Confident115 Ų11536.8 Ų36.854%0.53719%0.188SC..Hα-helixtrans-60-43.8175-70.6176.72.300111.8K685 K687 A693K685-Q689 WeakPolarHBondContact O-CG 3.39Å; K685-Q689 PolarHBondContact O-N 2.91Å; K685-Q689 VanDerWaalsContact O-N 3.13Å; K687-Q689 PolarHBondContact O-N 3.08Å; Q689-A693 WeakPolarHBondContact O-CB 3.4Å; Q689-A693 PolarHBondContact O-N 3.37Å
690V92.1Very high89.4Confident0 Ų042.8 Ų42.80%022%0.22CC..Hα-helixtrans-66-44.4176.8167.90000111.5A678 P686 K687 N688 T692 A693 C694 I709A678-V690 HydrophobicContact CB-CG1 4.26Å; P686-V690 WeakPolarHBondContact O-CG2 3.41Å; P686-V690 PolarHBondContact O-N 3.4Å; P686-V690 VanDerWaalsContact O-N 3.15Å; K687-V690 PolarHBondContact O-N 3.29Å; N688-V690 VanDerWaalsContact C-N 3.34Å; N688-V690 PolarHBondContact O-N 3.22Å; V690-T692 VanDerWaalsContact C-N 3.34Å; V690-T692 PolarHBondContact O-N 2.97Å; V690-A693 PolarHBondContact O-N 3.4Å; V690-C694 WeakPolarHBondContact O-CB 3.45Å; V690-C694 PolarHBondContact O-N 3.28Å; V690-C694 PolarHBondContact O-SG 2.92Å; V690-I709 HydrophobicContact CG1-CG2 4.24Å; V690-I709 HydrophobicContact CG2-CG2 4.4Å
691I89.7Confident89Confident7 Ų746 Ų464%0.03624%0.24CC..Hα-helixtrans-58.9-47.9178.6-69.2165.8000110.6W156 V158 I675 K687 N688 C694 R695W156-I691 HydrophobicContact CE3-CG2 4.47Å; W156-I691 HydrophobicContact CZ3-CG2 3.74Å; V158-I691 HydrophobicContact CB-CG2 4.47Å; V158-I691 HydrophobicContact CG1-CD1 3.94Å; V158-I691 HydrophobicContact CG1-CG1 3.96Å; V158-I691 HydrophobicContact CG1-CG2 3.84Å; I675-I691 HydrophobicContact CG2-CB 4.43Å; I675-I691 HydrophobicContact CG2-CG1 4.29Å; I675-I691 HydrophobicContact CG2-CG2 4.35Å; K687-I691 HydrophobicContact CG-CD1 4.03Å; K687-I691 WeakPolarHBondContact O-CG1 3.32Å; K687-I691 PolarHBondContact O-N 3.46Å; K687-I691 VanDerWaalsContact O-N 3.09Å; N688-I691 PolarHBondContact O-N 2.93Å; I691-C694 PolarHBondContact O-N 3.08Å; I691-R695 PolarHBondContact O-N 3.48Å
692T87.7Confident88.7Confident63 Ų6349.2 Ų49.239%0.38726%0.257SS..Hα-helixtrans-64.6-47.4179.4-54.20000111.5N688 V690 C694 R695 D696N688-T692 WeakPolarHBondContact O-CB 3.36Å; N688-T692 PolarHBondContact O-N 3.39Å; N688-T692 PolarHBondContact O-OG1 3.07Å; V690-T692 VanDerWaalsContact C-N 3.34Å; V690-T692 PolarHBondContact O-N 2.97Å; T692-C694 PolarHBondContact O-N 3.42Å; T692-R695 VanDerWaalsContact O-CB 3.32Å; T692-R695 WeakPolarHBondContact O-CB 3.21Å; T692-R695 PolarHBondContact O-N 3Å; T692-R695 VanDerWaalsContact O-N 3.17Å; T692-D696 PolarHBondContact O-N 2.89Å
693A90.5Very high88.4Confident28 Ų2851.1 Ų51.123%0.23127%0.269CS..Hα-helixtrans-66.9-35.9-179.300000112.5Q689 V690 D696 A697 I709Q689-A693 WeakPolarHBondContact O-CB 3.4Å; Q689-A693 PolarHBondContact O-N 3.37Å; V690-A693 PolarHBondContact O-N 3.4Å; A693-D696 PolarHBondContact O-N 2.83Å; A693-A697 WeakPolarHBondContact O-CB 3.46Å; A693-A697 PolarHBondContact O-N 3.31Å; A693-I709 HydrophobicContact CB-CD1 3.82Å; A693-I709 HydrophobicContact CB-CG1 4.38Å; A693-I709 HydrophobicContact CB-CG2 3.92Å
694C90.8Very high88.2Confident0 Ų055.5 Ų55.50%029%0.291CS..Hα-helixtrans-62.8-43.2172.1-75.70000111.3I675 V690 I691 T692 A697 I698 L706I675-C694 HydrophobicContact CG1-CB 4.14Å; I675-C694 HydrophobicContact CG2-CB 3.83Å; V690-C694 WeakPolarHBondContact O-CB 3.45Å; V690-C694 PolarHBondContact O-N 3.28Å; V690-C694 PolarHBondContact O-SG 2.92Å; I691-C694 PolarHBondContact O-N 3.08Å; T692-C694 PolarHBondContact O-N 3.42Å; C694-A697 PolarHBondContact O-N 3.46Å; C694-I698 WeakPolarHBondContact O-CG1 3.42Å; C694-I698 PolarHBondContact O-N 2.87Å; C694-L706 HydrophobicContact CB-CD1 3.62Å
695R86.6Confident88.3Confident40 Ų4056.7 Ų56.715%0.15129%0.294CS..Hα-helixtrans-59.2-48.1175.6-166.9-161.2-165.1-161.8-3.7111.5D153 W156 I691 T692 A697 I698 K699D153-R695 IonicContact OD1-NH2 3.15Å; D153-R695 IonicContact OD2-CZ 3.79Å; D153-R695 IonicContact OD2-NH1 3.19Å; D153-R695 PolarHBondContact OD2-NH1 3.34Å; D153-R695 IonicContact OD2-NH2 2.72Å; D153-R695 PolarHBondContact OD2-NH2 2.9Å; W156-R695 VanDerWaalsContact CD2-CD 3.49Å; W156-R695 HydrophobicContact CD2-CG 4.12Å; W156-R695 VanDerWaalsContact CD2-CZ 3.49Å; W156-R695 HydrophobicContact CE3-CB 4.15Å; W156-R695 HydrophobicContact CE3-CG 3.83Å; W156-R695 HydrophobicContact CH2-CB 3.93Å; W156-R695 HydrophobicContact CH2-CG 3.79Å; W156-R695 HydrophobicContact CZ2-CG 4.08Å; W156-R695 HydrophobicContact CZ3-CB 3.62Å; W156-R695 HydrophobicContact CZ3-CG 3.65Å; I691-R695 PolarHBondContact O-N 3.48Å; T692-R695 VanDerWaalsContact O-CB 3.32Å; T692-R695 WeakPolarHBondContact O-CB 3.21Å; T692-R695 PolarHBondContact O-N 3Å; T692-R695 VanDerWaalsContact O-N 3.17Å; R695-A697 VanDerWaalsContact C-N 3.31Å; R695-A697 PolarHBondContact O-N 3.46Å; R695-I698 PolarHBondContact O-N 3.49Å; R695-K699 WeakPolarHBondContact O-CG 3.38Å; R695-K699 PolarHBondContact O-N 2.74Å
696D88Confident88.3Confident76 Ų7651 Ų5141%0.40627%0.269SS..Hα-helixtrans-64.9-36.7179.8-70.2-20.9000111.7T692 A693 K699 N700T692-D696 PolarHBondContact O-N 2.89Å; A693-D696 PolarHBondContact O-N 2.83Å; D696-K699 PolarHBondContact O-N 2.99Å; D696-N700 WeakPolarHBondContact O-CB 3.36Å; D696-N700 PolarHBondContact O-N 3Å; D696-N700 PolarHBondContact O-ND2 3.01Å
697A88.3Confident88.3Confident5 Ų550.8 Ų50.84%0.04127%0.267CS..Hα-helixtrans-64.8-39.9174.700000112.2A693 C694 R695 N700 N701 N702 V705 L706 I709A693-A697 WeakPolarHBondContact O-CB 3.46Å; A693-A697 PolarHBondContact O-N 3.31Å; C694-A697 PolarHBondContact O-N 3.46Å; R695-A697 VanDerWaalsContact C-N 3.31Å; R695-A697 PolarHBondContact O-N 3.46Å; A697-N700 PolarHBondContact O-N 2.93Å; A697-N701 PolarHBondContact O-N 2.67Å; A697-N701 VanDerWaalsContact O-N 3.16Å; A697-N702 PolarHBondContact O-N 2.87Å; A697-V705 HydrophobicContact CB-CG1 4.36Å; A697-L706 HydrophobicContact CB-CB 3.95Å; A697-L706 HydrophobicContact CB-CD1 4.27Å; A697-I709 HydrophobicContact CB-CD1 4.23Å
698I86.9Confident88.4Confident63 Ų6353.3 Ų53.332%0.32328%0.278SS..Hα-helixtrans-68.2-45.4175.8-68.2166.1000110.7V671 I675 C694 R695 N700 N701 L706V671-I698 HydrophobicContact CG1-CD1 3.88Å; I675-I698 HydrophobicContact CD1-CD1 3.47Å; I675-I698 VanDerWaalsContact CD1-CD1 3.47Å; I675-I698 HydrophobicContact CG1-CD1 4.17Å; C694-I698 WeakPolarHBondContact O-CG1 3.42Å; C694-I698 PolarHBondContact O-N 2.87Å; R695-I698 PolarHBondContact O-N 3.49Å; I698-N700 PolarHBondContact O-N 3.06Å; I698-N701 PolarHBondContact O-N 3.08Å; I698-L706 HydrophobicContact CD1-CD1 4.26Å; I698-L706 HydrophobicContact CD1-CD2 4.32Å; I698-L706 HydrophobicContact CG1-CD1 4.11Å; I698-L706 HydrophobicContact CG1-CD2 3.92Å
699K83.5Confident88.7Confident120 Ų12052.6 Ų52.652%0.52227%0.274SS..Hα-helixtrans-57.8-36.8176.2-77.7-175174.7-176.70112.4D153 R695 D696 N701D153-K699 IonicContact OD2-NZ 3.36Å; R695-K699 WeakPolarHBondContact O-CG 3.38Å; R695-K699 PolarHBondContact O-N 2.74Å; D696-K699 PolarHBondContact O-N 2.99Å; K699-N701 VanDerWaalsContact C-N 3.31Å
700N86Confident88.8Confident127 Ų12747.3 Ų47.368%0.67925%0.249SC*.THydrogen-bonded Turntrans-88.25.4177.9-67.1-49.2000113.9D696 A697 I698 N702D696-N700 WeakPolarHBondContact O-CB 3.36Å; D696-N700 PolarHBondContact O-N 3Å; D696-N700 PolarHBondContact O-ND2 3.01Å; A697-N700 PolarHBondContact O-N 2.93Å; I698-N700 PolarHBondContact O-N 3.06Å; N700-N702 PolarHBondContact O-N 3.25Å
701N83.3Confident88.8Confident101 Ų10150.7 Ų50.754%0.5426%0.264SS..THydrogen-bonded Turntrans49.340.6-175.9-155.5-4.4000114A697 I698 K699A697-N701 PolarHBondContact O-N 2.67Å; A697-N701 VanDerWaalsContact O-N 3.16Å; I698-N701 PolarHBondContact O-N 3.08Å; K699-N701 VanDerWaalsContact C-N 3.31Å
702N87.6Confident88.7Confident69 Ų6952.3 Ų52.337%0.36928%0.278SS..  trans-107.378.6-179.9-165.7-19.8000111.4A697 N700 N704 V705 L706A697-N702 PolarHBondContact O-N 2.87Å; N700-N702 PolarHBondContact O-N 3.25Å; N702-N704 VanDerWaalsContact C-N 3.29Å; N702-N704 PolarHBondContact O-N 3.04Å; N702-V705 HydrophobicContact CB-CB 4.26Å; N702-V705 VanDerWaalsContact CG-CG2 3.49Å; N702-V705 WeakPolarHBondContact ND2-CG2 3.4Å; N702-V705 PolarHBondContact O-N 2.93Å; N702-V705 WeakPolarHBondContact OD1-CG2 3.36Å; N702-V705 PolarHBondContact OD1-N 3.17Å; N702-L706 PolarHBondContact O-N 2.87Å
703V86.8Confident88.3Confident40 Ų4049.5 Ų49.524%0.24226%0.262CS..Hα-helixtrans-59.8-35.6-177.2179.50000112.7L593 L706 F707L593-V703 HydrophobicContact CD1-CG1 4.09Å; L593-V703 HydrophobicContact CD1-CG2 4.48Å; V703-L706 WeakPolarHBondContact O-CB 3.09Å; V703-L706 PolarHBondContact O-N 3.17Å; V703-F707 HydrophobicContact CG1-CD2 3.75Å; V703-F707 HydrophobicContact CG1-CE2 3.36Å; V703-F707 HydrophobicContact CG1-CZ 4.48Å; V703-F707 WeakPolarHBondContact O-CD2 3.45Å; V703-F707 PolarHBondContact O-N 2.99Å; V703-F707 VanDerWaalsContact O-N 3.16Å
704N88.2Confident87.5Confident110 Ų11050.9 Ų50.959%0.58827%0.268SS*.Hα-helixtrans-68.6-40.4-179.7-70.4-34.9000112.1N702 K708N702-N704 VanDerWaalsContact C-N 3.29Å; N702-N704 PolarHBondContact O-N 3.04Å; N704-K708 PolarHBondContact O-N 3.41Å; N704-K708 VanDerWaalsContact O-N 3.15Å
705V90.3Very high85.8Confident48 Ų4853.9 Ų53.929%0.29129%0.292SS..Hα-helixtrans-67.3-38.6175.1169.60000110.7A697 N702 F707 K708 I709A697-V705 HydrophobicContact CB-CG1 4.36Å; N702-V705 HydrophobicContact CB-CB 4.26Å; N702-V705 VanDerWaalsContact CG-CG2 3.49Å; N702-V705 WeakPolarHBondContact ND2-CG2 3.4Å; N702-V705 PolarHBondContact O-N 2.93Å; N702-V705 WeakPolarHBondContact OD1-CG2 3.36Å; N702-V705 PolarHBondContact OD1-N 3.17Å; V705-F707 PolarHBondContact O-N 3.32Å; V705-K708 PolarHBondContact O-N 3.27Å; V705-I709 HydrophobicContact CG1-CD1 3.54Å; V705-I709 HydrophobicContact CG1-CG1 4.19Å; V705-I709 WeakPolarHBondContact O-CD1 3.44Å; V705-I709 VanDerWaalsContact O-CG1 3.26Å; V705-I709 WeakPolarHBondContact O-CG1 3.3Å; V705-I709 PolarHBondContact O-N 3.47Å
706L90.7Very high83.8Confident3 Ų356.1 Ų56.12%0.01631%0.314CS..Hα-helixtrans-53.7-53.3174.4178.966.8000112L593 C694 A697 I698 N702 V703 K708 I709 M710L593-L706 HydrophobicContact CD1-CD2 3.75Å; C694-L706 HydrophobicContact CB-CD1 3.62Å; A697-L706 HydrophobicContact CB-CB 3.95Å; A697-L706 HydrophobicContact CB-CD1 4.27Å; I698-L706 HydrophobicContact CD1-CD1 4.26Å; I698-L706 HydrophobicContact CD1-CD2 4.32Å; I698-L706 HydrophobicContact CG1-CD1 4.11Å; I698-L706 HydrophobicContact CG1-CD2 3.92Å; N702-L706 PolarHBondContact O-N 2.87Å; V703-L706 WeakPolarHBondContact O-CB 3.09Å; V703-L706 PolarHBondContact O-N 3.17Å; L706-K708 VanDerWaalsContact C-N 3.32Å; L706-K708 PolarHBondContact O-N 2.67Å; L706-I709 PolarHBondContact O-N 3.18Å; L706-M710 HydrophobicContact CD1-CE 3.84Å; L706-M710 HydrophobicContact CG-CE 4.12Å; L706-M710 HydrophobicContact CG-SD 4.38Å; L706-M710 WeakPolarHBondContact O-CG 3.48Å; L706-M710 PolarHBondContact O-N 3.38Å
707F91.8Very high81.3Confident12 Ų1260.4 Ų60.45%0.05335%0.35CS..Hα-helixtrans-64.3-37179.1-74.6-67000112.6F586 L589 R590 L593 V703 V705 I709 M710 K711F586-F707 HydrophobicContact CB-CD1 3.84Å; F586-F707 HydrophobicContact CB-CE1 3.67Å; F586-F707 AromaticContact CD1-CD1 3.69Å; F586-F707 HydrophobicContact CD1-CD1 3.69Å; F586-F707 AromaticContact CD1-CE1 3.75Å; F586-F707 HydrophobicContact CD1-CE1 3.75Å; F586-F707 HydrophobicContact CE1-CD1 4.43Å; F586-F707 AromaticContact CG-CD1 3.85Å; F586-F707 HydrophobicContact CG-CD1 3.85Å; F586-F707 HydrophobicContact CG-CE1 4.01Å; F586-F707 WeakPolarHBondContact O-CE1 3.33Å; F586-F707 WeakPolarHBondContact O-CZ 3.42Å; L589-F707 HydrophobicContact CB-CE1 4.2Å; L589-F707 HydrophobicContact CB-CZ 4.29Å; L589-F707 HydrophobicContact CD2-CE1 3.84Å; L589-F707 HydrophobicContact CD2-CZ 4.29Å; L589-F707 HydrophobicContact CG-CE1 4.19Å; L589-F707 HydrophobicContact CG-CZ 4.21Å; R590-F707 HydrophobicContact CB-CE2 4Å; R590-F707 HydrophobicContact CB-CZ 3.78Å; R590-F707 HydrophobicContact CG-CE2 4.33Å; L593-F707 HydrophobicContact CD1-CZ 4.43Å; V703-F707 HydrophobicContact CG1-CD2 3.75Å; V703-F707 HydrophobicContact CG1-CE2 3.36Å; V703-F707 HydrophobicContact CG1-CZ 4.48Å; V703-F707 WeakPolarHBondContact O-CD2 3.45Å; V703-F707 PolarHBondContact O-N 2.99Å; V703-F707 VanDerWaalsContact O-N 3.16Å; V705-F707 PolarHBondContact O-N 3.32Å; F707-I709 VanDerWaalsContact C-N 3.34Å; F707-M710 PolarHBondContact O-N 3.02Å; F707-K711 WeakPolarHBondContact O-CB 3.37Å; F707-K711 VanDerWaalsContact O-CG 3.28Å; F707-K711 WeakPolarHBondContact O-CG 3.33Å; F707-K711 PolarHBondContact O-N 3.02Å
708K91.4Very high81Confident74 Ų7463.2 Ų63.232%0.32237%0.365SS..Hα-helixtrans-62.9-42.6176.1-171-174.1177.7-163.90111.5N704 V705 L706 K711 A712 A715 S717N704-K708 PolarHBondContact O-N 3.41Å; N704-K708 VanDerWaalsContact O-N 3.15Å; V705-K708 PolarHBondContact O-N 3.27Å; L706-K708 VanDerWaalsContact C-N 3.32Å; L706-K708 PolarHBondContact O-N 2.67Å; K708-K711 PolarHBondContact O-N 3.25Å; K708-A712 PolarHBondContact O-N 3.21Å; K708-A715 PolarHBondContact NZ-O 3.4Å; K708-S717 PolarHBondContact NZ-O 3.23Å
709I92.8Very high80.7Confident4 Ų463.2 Ų63.22%0.02137%0.367CS..Hα-helixtrans-63.5-46.5175.8-67.8160.2000110.4V690 A693 A697 V705 L706 F707 K711 G713 A715V690-I709 HydrophobicContact CG1-CG2 4.24Å; V690-I709 HydrophobicContact CG2-CG2 4.4Å; A693-I709 HydrophobicContact CB-CD1 3.82Å; A693-I709 HydrophobicContact CB-CG1 4.38Å; A693-I709 HydrophobicContact CB-CG2 3.92Å; A697-I709 HydrophobicContact CB-CD1 4.23Å; V705-I709 HydrophobicContact CG1-CD1 3.54Å; V705-I709 HydrophobicContact CG1-CG1 4.19Å; V705-I709 WeakPolarHBondContact O-CD1 3.44Å; V705-I709 VanDerWaalsContact O-CG1 3.26Å; V705-I709 WeakPolarHBondContact O-CG1 3.3Å; V705-I709 PolarHBondContact O-N 3.47Å; L706-I709 PolarHBondContact O-N 3.18Å; F707-I709 VanDerWaalsContact C-N 3.34Å; I709-K711 VanDerWaalsContact C-N 3.27Å; I709-K711 PolarHBondContact O-N 3Å; I709-G713 WeakPolarHBondContact O-CA 3.32Å; I709-G713 PolarHBondContact O-N 3.25Å; I709-A715 HydrophobicContact CG1-CB 4.35Å
710M92.4Very high80.5Confident3 Ų360 Ų602%0.01536%0.359CS..Hα-helixtrans-59.5-40.3178.7-70.9179.6167.700111.9F586 L589 A674 I675 A678 R682 L706 F707F586-M710 HydrophobicContact CE1-CB 4.01Å; F586-M710 HydrophobicContact CE1-SD 4.11Å; F586-M710 HydrophobicContact CZ-CB 4.12Å; L589-M710 HydrophobicContact CD2-CE 4.1Å; L589-M710 HydrophobicContact CD2-SD 3.85Å; A674-M710 HydrophobicContact CB-CE 4.41Å; I675-M710 HydrophobicContact CG1-CE 4.06Å; A678-M710 HydrophobicContact CB-CB 4.08Å; A678-M710 HydrophobicContact CB-CE 4.47Å; A678-M710 HydrophobicContact CB-CG 3.72Å; A678-M710 HydrophobicContact CB-SD 4.42Å; R682-M710 PolarHBondContact NH1-O 3.33Å; R682-M710 PolarHBondContact NH2-O 2.98Å; R682-M710 VanDerWaalsContact NH2-O 3.15Å; L706-M710 HydrophobicContact CD1-CE 3.84Å; L706-M710 HydrophobicContact CG-CE 4.12Å; L706-M710 HydrophobicContact CG-SD 4.38Å; L706-M710 WeakPolarHBondContact O-CG 3.48Å; L706-M710 PolarHBondContact O-N 3.38Å; F707-M710 PolarHBondContact O-N 3.02Å
711K92.6Very high80.2Confident72 Ų7256.1 Ų56.131%0.31334%0.34SS..Hα-helixtrans-71.5-58.9179-68.3-172.9-174.3-150.90113.5E579 A580 D581 F586 R682 F707 K708 I709E579-K711 CarbonylContact C-O 3.57Å; E579-K711 WeakPolarHBondContact CA-O 3.41Å; A580-K711 PolarHBondContact N-O 3.47Å; A580-K711 WeakPolarHBondContact O-CA 3.19Å; A580-K711 VanDerWaalsContact O-CB 3.26Å; A580-K711 WeakPolarHBondContact O-CB 3.48Å; A580-K711 VanDerWaalsContact O-CG 3.3Å; A580-K711 WeakPolarHBondContact O-CG 3.02Å; D581-K711 VanDerWaalsContact OD1-CE 3.24Å; D581-K711 WeakPolarHBondContact OD1-CE 3.34Å; D581-K711 IonicContact OD1-NZ 3.78Å; D581-K711 PolarHBondContact OD1-NZ 3.2Å; F586-K711 HydrophobicContact CD2-CG 4.32Å; F586-K711 HydrophobicContact CE2-CD 4.26Å; F586-K711 HydrophobicContact CE2-CG 3.61Å; F586-K711 HydrophobicContact CZ-CG 4.12Å; R682-K711 PolarHBondContact NH2-O 3.49Å; F707-K711 WeakPolarHBondContact O-CB 3.37Å; F707-K711 VanDerWaalsContact O-CG 3.28Å; F707-K711 WeakPolarHBondContact O-CG 3.33Å; F707-K711 PolarHBondContact O-N 3.02Å; K708-K711 PolarHBondContact O-N 3.25Å; I709-K711 VanDerWaalsContact C-N 3.27Å; I709-K711 PolarHBondContact O-N 3Å
712A87.4Confident80Confident41 Ų4153.3 Ų53.334%0.33933%0.328SS..Hα-helixtrans-96-13.2-170.300000114.3Q577 K708 T714Q577-A712 PolarHBondContact NE2-O 3.08Å; Q577-A712 VanDerWaalsContact NE2-O 3.15Å; K708-A712 PolarHBondContact O-N 3.21Å; A712-T714 PolarHBondContact O-N 2.92Å
713G77.4Confident79.5Confident4 Ų452.2 Ų52.24%0.04133%0.325CS..SBendtrans73.35.2179.600000115.1Q577 R682 I709Q577-G713 PolarHBondContact NE2-O 3.46Å; R682-G713 VanDerWaalsContact NH2-CA 3.31Å; R682-G713 VanDerWaalsContact NH2-N 3.12Å; I709-G713 WeakPolarHBondContact O-CA 3.32Å; I709-G713 PolarHBondContact O-N 3.25Å
714T74.1Confident79Confident57 Ų5753.1 Ų53.135%0.3533%0.331SS..SBendtrans-139150.1173.759.50000110.9A712A712-T714 PolarHBondContact O-N 2.92Å
715A56.8Low78.3Confident62 Ų6248.7 Ų48.751%0.51231%0.311SS..  trans-76-25.417800000112.9K708 I709K708-A715 PolarHBondContact NZ-O 3.4Å; I709-A715 HydrophobicContact CG1-CB 4.35Å
716S44Very low77.3Confident88 Ų8848.8 Ų48.862%0.61531%0.312SS*.  trans-72.5137.5177.342.50000111.9
717S36Very low76.1Confident165 Ų16552.9 Ų52.9100%1.15434%0.339SS*.  cis-114.9010.954.80000114.2K708K708-S717 PolarHBondContact NZ-O 3.23Å

Retrieved 717 of 717 residues in 126.2 ms (Link to these results)

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