A0A3Q0KKS2_SCHMA Loading...

Putative wd-repeat protein

AlphaFold DB , UniProt , Accession A0A3Q0KKS2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,249 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
1M79.8Confident88.8Confident28 Ų2842.2 Ų42.214%0.13823%0.228CC..  0151.80177.4-174.4-17500107.8M267 L294 N295 L330 R331 Y557M1-M267 HydrophobicContact CE-CE 4.2Å; M1-M267 HydrophobicContact CE-SD 3.34Å; M1-M267 WeakPolarHBondContact CE-SD 3.35Å; M1-M267 HydrophobicContact SD-SD 3.9Å; M1-L294 HydrophobicContact CB-CB 4.49Å; M1-L294 HydrophobicContact SD-CB 3.86Å; M1-L294 HydrophobicContact SD-CD1 4.17Å; M1-N295 HydrophobicContact CB-CB 4.41Å; M1-N295 PolarHBondContact O-ND2 3.43Å; M1-L330 HydrophobicContact CE-CB 3.64Å; M1-L330 HydrophobicContact CE-CD2 3.19Å; M1-L330 HydrophobicContact CE-CG 3.95Å; M1-R331 WeakPolarHBondContact CG-O 3.33Å; M1-Y557 PolarHBondContact N-OH 3.03Å; M1-Y557 VanDerWaalsContact N-OH 3.16Å
2F85Confident88.3Confident20 Ų2043.7 Ų43.79%0.08824%0.242CC..EExtended strand (participates in β ladder)trans-122.2144176.5-176.3-107.4000111.3Y4 R331 D605 W607F2-Y4 AromaticContact CD1-CD1 3.77Å; F2-Y4 HydrophobicContact CD1-CD1 3.77Å; F2-Y4 HydrophobicContact CD1-CE1 4.38Å; F2-Y4 AromaticContact CE1-CD1 3.37Å; F2-Y4 HydrophobicContact CE1-CD1 3.37Å; F2-Y4 HydrophobicContact CE1-CE1 4.22Å; F2-Y4 HydrophobicContact CE1-CG 4.02Å; F2-Y4 HydrophobicContact CZ-CD1 4.35Å; F2-R331 HydrophobicContact CB-CB 4.22Å; F2-R331 PolarHBondContact N-O 3.36Å; F2-R331 PolarHBondContact O-N 3.36Å; F2-D605 HydrophobicContact CE1-CB 4.45Å; F2-D605 HydrophobicContact CZ-CB 3.93Å; F2-W607 HydrophobicContact CB-CB 3.87Å; F2-W607 HydrophobicContact CD1-CB 3.54Å; F2-W607 AromaticContact CD1-CD1 3.77Å; F2-W607 AromaticContact CD1-CG 3.87Å; F2-W607 HydrophobicContact CD1-CG 3.87Å; F2-W607 HydrophobicContact CD2-CB 4.27Å; F2-W607 HydrophobicContact CE1-CB 4.18Å; F2-W607 AromaticContact CE1-CD1 3.93Å; F2-W607 HydrophobicContact CE1-CG 4.39Å; F2-W607 HydrophobicContact CG-CB 3.62Å; F2-W607 HydrophobicContact CG-CG 4.4Å
3S89.5Confident87.9Confident6 Ų652.6 Ų52.64%0.04229%0.289CS..EExtended strand (participates in β ladder)trans-144.1141.2178.656.10000110.5N295 N329S3-N295 PolarHBondContact N-ND2 3.34Å; S3-N295 VanDerWaalsContact N-ND2 3.2Å; S3-N295 PolarHBondContact OG-ND2 3.23Å; S3-N329 WeakPolarHBondContact CA-O 3.37Å
4Y90Very high87.8Confident4 Ų457.6 Ų57.62%0.01632%0.315CS..EExtended strand (participates in β ladder)trans-150.1155.9-178.161.8-84.6000111.8F2 A328 N329 R331 K624 T625F2-Y4 AromaticContact CD1-CD1 3.77Å; F2-Y4 HydrophobicContact CD1-CD1 3.77Å; F2-Y4 HydrophobicContact CD1-CE1 4.38Å; F2-Y4 AromaticContact CE1-CD1 3.37Å; F2-Y4 HydrophobicContact CE1-CD1 3.37Å; F2-Y4 HydrophobicContact CE1-CE1 4.22Å; F2-Y4 HydrophobicContact CE1-CG 4.02Å; F2-Y4 HydrophobicContact CZ-CD1 4.35Å; Y4-A328 CarbonylContact O-C 3.58Å; Y4-A328 VanDerWaalsContact O-CA 3.26Å; Y4-A328 WeakPolarHBondContact O-CA 3.45Å; Y4-N329 HydrophobicContact CE1-CB 3.91Å; Y4-N329 HydrophobicContact CE2-CB 3.88Å; Y4-N329 PolarHBondContact N-O 3.2Å; Y4-N329 PolarHBondContact O-N 3.45Å; Y4-N329 WeakPolarHBondContact OH-CB 3.49Å; Y4-N329 PolarHBondContact OH-ND2 3.04Å; Y4-R331 HydrophobicContact CE1-CG 4.23Å; Y4-K624 HydrophobicContact CD2-CB 3.95Å; Y4-K624 HydrophobicContact CD2-CD 3.98Å; Y4-K624 HydrophobicContact CD2-CG 3.68Å; Y4-K624 HydrophobicContact CE2-CB 3.65Å; Y4-K624 HydrophobicContact CE2-CD 4.35Å; Y4-K624 HydrophobicContact CE2-CG 3.94Å; Y4-K624 HydrophobicContact CG-CG 4.12Å; Y4-T625 WeakPolarHBondContact OH-CG2 3.39Å
5L90.2Very high88Confident46 Ų4654.5 Ų54.524%0.24130%0.3CS..EExtended strand (participates in β ladder)trans-76.1125.1173.4-65.3177000110.9L297 L299 P300 Y326 F327 A328L5-L297 HydrophobicContact CD2-CD2 4.07Å; L5-L297 HydrophobicContact CG-CD2 4.44Å; L5-L299 HydrophobicContact CD1-CD2 4.45Å; L5-L299 HydrophobicContact CD2-CD2 3.91Å; L5-P300 HydrophobicContact CD1-CG 4.2Å; L5-Y326 HydrophobicContact CD1-CD1 4.16Å; L5-F327 CarbonylContact C-O 3.53Å; L5-F327 WeakPolarHBondContact CA-O 3.45Å; L5-A328 HydrophobicContact CD2-CB 4.15Å
6S87.5Confident88.3Confident53 Ų5357.5 Ų57.537%0.37131%0.309SS..EExtended strand (participates in β ladder)trans-103.5-40-175.264.40000113.5F327 N329S6-F327 PolarHBondContact N-O 3.37Å; S6-F327 PolarHBondContact OG-O 3.05Å; S6-N329 WeakPolarHBondContact CB-OD1 3.37Å; S6-N329 PolarHBondContact OG-OD1 3.16Å
7K88.1Confident88.7Confident64 Ų6454.2 Ų54.228%0.27829%0.291SS..EExtended strand (participates in β ladder)trans-144.8152.5-177-164.8170.5-175.6175.20111.1T58 F327K7-T58 PolarHBondContact NZ-O 2.94Å; K7-F327 HydrophobicContact CB-CB 4.11Å; K7-F327 HydrophobicContact CB-CD2 4.03Å; K7-F327 HydrophobicContact CB-CG 4.39Å; K7-F327 HydrophobicContact CG-CD2 4.48Å; K7-F327 PolarHBondContact N-O 3.36Å; K7-F327 PolarHBondContact O-N 3.18Å
8K91.3Very high89Confident146 Ų14654.6 Ų54.664%0.63529%0.29SS*.EExtended strand (participates in β ladder)trans-129.9138.2169.371.6178.9-175.5177.30109.9L325 Y326K8-L325 CarbonylContact C-O 3.56Å; K8-L325 WeakPolarHBondContact CA-O 3.01Å; K8-Y326 HydrophobicContact CB-CD1 3.87Å; K8-Y326 HydrophobicContact CB-CE1 3.83Å; K8-Y326 HydrophobicContact CD-CE1 4.41Å
9I92Very high89.3Confident23 Ų2352.2 Ų52.212%0.11828%0.278CS..EExtended strand (participates in β ladder)trans-120.2123.7173.1-60.9179.9000107.4L41 L60 F324 L325 F327I9-L41 HydrophobicContact CD1-CD1 4.05Å; I9-L60 HydrophobicContact CD1-CD1 4.48Å; I9-F324 WeakPolarHBondContact O-CA 3.45Å; I9-L325 HydrophobicContact CB-CB 4.38Å; I9-L325 PolarHBondContact N-O 2.91Å; I9-L325 PolarHBondContact O-N 2.97Å; I9-F327 HydrophobicContact CD1-CE2 3.62Å; I9-F327 HydrophobicContact CD1-CZ 4.13Å; I9-F327 HydrophobicContact CG1-CE2 3.93Å
10A92.6Very high89.6Confident66 Ų6650.3 Ų50.355%0.54527%0.27SS..EExtended strand (participates in β ladder)trans-86.2135.2175.400000110.1F324A10-F324 HydrophobicContact CB-CD1 3.85Å; A10-F324 HydrophobicContact CB-CE1 3.68Å
11I90.5Very high89.8Confident8 Ų849 Ų494%0.04127%0.265CS..PPolyproline II helixtrans-87.7139.8176.5-60.8-60.1000109.6A15 L17 L37 K39 S323I11-A15 HydrophobicContact CG2-CB 4.43Å; I11-L17 HydrophobicContact CD1-CD1 4.36Å; I11-L17 HydrophobicContact CD1-CD2 4.24Å; I11-L17 HydrophobicContact CG1-CD1 3.85Å; I11-L17 HydrophobicContact CG1-CD2 3.86Å; I11-L17 HydrophobicContact CG1-CG 3.94Å; I11-L17 HydrophobicContact CG2-CD2 4.47Å; I11-L37 HydrophobicContact CG2-CD1 4.3Å; I11-L37 HydrophobicContact CG2-CD2 3.22Å; I11-L37 HydrophobicContact CG2-CG 4.38Å; I11-K39 HydrophobicContact CD1-CD 4.5Å; I11-S323 WeakPolarHBondContact CB-O 3.37Å; I11-S323 WeakPolarHBondContact CG1-O 3.26Å; I11-S323 PolarHBondContact N-O 3.4Å
12P82.9Confident90.5Very high60 Ų6047.9 Ų47.939%0.3926%0.259SS..G310 helixtrans-56.5155.3177.9-23.533.6000113.2N14 A15P12-N14 PolarHBondContact O-N 3.22Å; P12-A15 PolarHBondContact O-N 3.05Å
13N83.9Confident90.8Very high160 Ų16046.9 Ų46.986%0.85626%0.255SS*.G310 helixtrans59.312175.7-56.8-18.4000115.7A15N13-A15 PolarHBondContact O-N 2.8Å; N13-A15 VanDerWaalsContact O-N 3.14Å
14N86.2Confident90.6Very high123 Ų12349.9 Ų49.966%0.65827%0.267SS*.G310 helixtrans53.726.1-172.7-58.3-38.9000113.2P12 K16P12-N14 PolarHBondContact O-N 3.22Å; N14-K16 PolarHBondContact O-N 3.36Å
15A90.5Very high90.4Very high11 Ų1152.8 Ų52.89%0.09128%0.281CS..PPolyproline II helixtrans-60.9126.9175.400000108.9I11 P12 N13 L37 S323I11-A15 HydrophobicContact CG2-CB 4.43Å; P12-A15 PolarHBondContact O-N 3.05Å; N13-A15 PolarHBondContact O-N 2.8Å; N13-A15 VanDerWaalsContact O-N 3.14Å; A15-L37 HydrophobicContact CB-CD2 4.04Å; A15-S323 WeakPolarHBondContact O-CA 3.46Å; A15-S323 VanDerWaalsContact O-CB 3.32Å; A15-S323 WeakPolarHBondContact O-CB 3.35Å
16K93.3Very high90.2Very high102 Ų10252.6 Ų52.644%0.44328%0.279SS..PPolyproline II helixtrans-74.5134.1-179.2-61.2178.1-171.3159.40109.6N14 G33 E34 D322N14-K16 PolarHBondContact O-N 3.36Å; K16-G33 CarbonylContact O-C 3.59Å; K16-G33 WeakPolarHBondContact O-CA 3.2Å; K16-E34 HydrophobicContact CB-CG 4.22Å; K16-E34 PolarHBondContact N-OE2 3.27Å; K16-E34 PolarHBondContact O-N 2.72Å; K16-D322 CarbonylContact C-O 3.58Å; K16-D322 WeakPolarHBondContact CA-O 3.17Å
17L94.7Very high90.2Very high1 Ų150.8 Ų50.81%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-75.7133.8174.6-66.6179.1000109.9I11 C31 G32 L37 T305 A320 D322 L325I11-L17 HydrophobicContact CD1-CD1 4.36Å; I11-L17 HydrophobicContact CD1-CD2 4.24Å; I11-L17 HydrophobicContact CG1-CD1 3.85Å; I11-L17 HydrophobicContact CG1-CD2 3.86Å; I11-L17 HydrophobicContact CG1-CG 3.94Å; I11-L17 HydrophobicContact CG2-CD2 4.47Å; L17-C31 HydrophobicContact CD1-CB 4.38Å; L17-C31 HydrophobicContact CD2-CB 3.94Å; L17-G32 CarbonylContact C-O 3.59Å; L17-G32 WeakPolarHBondContact CA-O 3.45Å; L17-L37 HydrophobicContact CD2-CD2 4.03Å; L17-T305 WeakPolarHBondContact O-CB 3.38Å; L17-T305 VanDerWaalsContact O-CG2 3.24Å; L17-T305 WeakPolarHBondContact O-CG2 3.47Å; L17-T305 PolarHBondContact O-OG1 3.36Å; L17-A320 HydrophobicContact CB-CB 3.89Å; L17-A320 HydrophobicContact CD1-CB 3.96Å; L17-D322 PolarHBondContact N-O 3.5Å; L17-L325 HydrophobicContact CD1-CB 4.35Å
18K94Very high90.4Very high61 Ų6148.9 Ų48.927%0.26526%0.259SS..EExtended strand (participates in β ladder)trans-106.7-31.5176.1-58.1-70.3173.8167.60111.6G32 E34 D72K18-G32 PolarHBondContact N-O 3.42Å; K18-E34 VanDerWaalsContact CE-OE1 3.31Å; K18-E34 WeakPolarHBondContact CE-OE1 3.4Å; K18-E34 IonicContact NZ-OE1 3.97Å; K18-E34 PolarHBondContact NZ-OE1 2.89Å; K18-D72 VanDerWaalsContact CE-OD2 3.3Å; K18-D72 WeakPolarHBondContact CE-OD2 3.36Å; K18-D72 IonicContact NZ-OD2 3.94Å
19S94.1Very high90.5Very high10 Ų1041.9 Ų41.97%0.0723%0.229CC..EExtended strand (participates in β ladder)trans-141.4148.9-175.357.80000111.8C31 G32 V73 Q74 I76S19-C31 WeakPolarHBondContact O-CA 3.24Å; S19-G32 PolarHBondContact N-O 3.18Å; S19-G32 VanDerWaalsContact N-O 3.12Å; S19-G32 PolarHBondContact O-N 3.46Å; S19-G32 WeakPolarHBondContact OG-CA 3.28Å; S19-V73 PolarHBondContact OG-O 3.01Å; S19-Q74 VanDerWaalsContact CB-O 3.31Å; S19-Q74 WeakPolarHBondContact CB-O 3.5Å; S19-I76 WeakPolarHBondContact OG-CD1 3.37Å
20A95.3Very high90.7Very high14 Ų1440.8 Ų40.812%0.11622%0.223CC..EExtended strand (participates in β ladder)trans-150.2142.2172.700000110.1A30 C31 A306 A320 L325A20-A30 CarbonylContact C-O 3.55Å; A20-A30 VanDerWaalsContact CA-O 3.29Å; A20-A30 WeakPolarHBondContact CA-O 3.2Å; A20-C31 HydrophobicContact CB-CB 4.43Å; A20-A306 HydrophobicContact CB-CB 3.95Å; A20-A320 HydrophobicContact CB-CB 4.13Å; A20-L325 HydrophobicContact CB-CD1 4.37Å
21S94.6Very high90.8Very high23 Ų2337.7 Ų37.716%0.16120%0.197CC..EExtended strand (participates in β ladder)trans-149.1133.1-179.8-165.20000110.5A30 I76 W78S21-A30 PolarHBondContact N-O 3.47Å; S21-A30 PolarHBondContact O-N 3.49Å; S21-I76 WeakPolarHBondContact CB-O 3.25Å; S21-W78 VanDerWaalsContact C-NE1 3.33Å; S21-W78 PolarHBondContact O-NE1 3.4Å
22W93.6Very high91Very high4 Ų437.3 Ų37.32%0.01520%0.196CC..EExtended strand (participates in β ladder)trans-110.4123.8-178.9-160.6-23000109.6K24 G27 Y28 V29 T308 W309 E310 R316 A318 F327W22-K24 PolarHBondContact O-N 3.4Å; W22-G27 PolarHBondContact NE1-O 3.37Å; W22-Y28 CarbonylContact C-O 3.58Å; W22-Y28 WeakPolarHBondContact CA-O 3.49Å; W22-V29 HydrophobicContact CB-CG2 4.43Å; W22-V29 HydrophobicContact CD2-CG2 3.58Å; W22-V29 HydrophobicContact CE3-CG2 4.24Å; W22-V29 HydrophobicContact CG-CG2 3.68Å; W22-V29 HydrophobicContact CZ2-CG2 4.09Å; W22-T308 HydrophobicContact CB-CG2 3.71Å; W22-T308 WeakPolarHBondContact CB-OG1 3.23Å; W22-T308 PolarHBondContact N-OG1 3.16Å; W22-W309 WeakPolarHBondContact CB-O 3.42Å; W22-E310 HydrophobicContact CD2-CB 3.83Å; W22-E310 HydrophobicContact CD2-CG 4.31Å; W22-E310 HydrophobicContact CE3-CB 3.95Å; W22-E310 HydrophobicContact CH2-CB 3.82Å; W22-E310 HydrophobicContact CH2-CG 4.29Å; W22-E310 HydrophobicContact CZ2-CB 3.69Å; W22-E310 HydrophobicContact CZ2-CG 3.7Å; W22-E310 HydrophobicContact CZ3-CB 3.95Å; W22-R316 HydrophobicContact CH2-CB 4.13Å; W22-R316 HydrophobicContact CZ3-CB 4.35Å; W22-A318 HydrophobicContact CE3-CB 3.6Å; W22-A318 HydrophobicContact CZ3-CB 3.71Å; W22-F327 HydrophobicContact CE3-CE1 4.5Å; W22-F327 AromaticContact CH2-CD1 3.72Å; W22-F327 HydrophobicContact CH2-CD1 3.72Å; W22-F327 AromaticContact CH2-CE1 3.73Å; W22-F327 HydrophobicContact CH2-CE1 3.73Å; W22-F327 HydrophobicContact CZ2-CE1 4.42Å; W22-F327 AromaticContact CZ3-CD1 3.73Å; W22-F327 HydrophobicContact CZ3-CD1 3.73Å; W22-F327 AromaticContact CZ3-CE1 3.78Å; W22-F327 HydrophobicContact CZ3-CE1 3.78Å
23S91.7Very high91.6Very high0 Ų034.4 Ų34.40%018%0.177CC..  trans-62.7123.1172.2166.80000110H26 G27 Y28 E80S23-H26 WeakPolarHBondContact OG-CB 3.45Å; S23-H26 PolarHBondContact OG-N 3.48Å; S23-H26 VanDerWaalsContact OG-N 3.07Å; S23-G27 PolarHBondContact O-N 3.34Å; S23-Y28 WeakPolarHBondContact CB-O 3.47Å; S23-Y28 PolarHBondContact N-O 3.11Å; S23-E80 WeakPolarHBondContact CA-OE1 3.04Å; S23-E80 PolarHBondContact OG-OE2 3.14Å
24K86.4Confident92.1Very high68 Ų6829 Ų2930%0.29615%0.146SC..THydrogen-bonded Turntrans-74-40.3-177.8-61.9-175-179.6-172.10111.4W22 E80 G311W22-K24 PolarHBondContact O-N 3.4Å; K24-E80 PolarHBondContact N-OE1 2.73Å; K24-G311 VanDerWaalsContact O-CA 3.31Å; K24-G311 WeakPolarHBondContact O-CA 3.32Å
25E85.1Confident92.3Very high65 Ų6529.7 Ų29.730%0.30415%0.15SC..THydrogen-bonded Turntrans-84.6-41.1-176.3-68.1-174.7-179.300112.5E80 K81E25-E80 HydrophobicContact CB-CB 4.36Å; E25-E80 HydrophobicContact CG-CB 3.96Å; E25-E80 HydrophobicContact CG-CG 4.36Å; E25-K81 IonicContact OE1-NZ 3.94Å; E25-K81 PolarHBondContact OE1-NZ 2.92Å
26H85.9Confident92.3Very high43 Ų4329.5 Ų29.520%0.19915%0.15CC..THydrogen-bonded Turntrans-107-7.4-166.6-52.1-67.9000114.3S23 Y28 E80 R83S23-H26 WeakPolarHBondContact OG-CB 3.45Å; S23-H26 PolarHBondContact OG-N 3.48Å; S23-H26 VanDerWaalsContact OG-N 3.07Å; H26-Y28 VanDerWaalsContact C-N 3.35Å; H26-Y28 HydrophobicContact CB-CD2 3.62Å; H26-Y28 HydrophobicContact CB-CE2 3.77Å; H26-Y28 PolarHBondContact O-N 3.4Å; H26-E80 IonicContact CD2-OE2 3.3Å; H26-E80 PolarHBondContact CD2-OE2 3.24Å; H26-E80 PolarHBondContact NE2-O 2.79Å; H26-R83 PolarHBondContact CE1-NE 3Å; H26-R83 VanDerWaalsContact CE1-NE 3.31Å
27G87.1Confident92.3Very high14 Ų1425.8 Ų25.814%0.14414%0.135CC..  trans75.314.6172.700000115.8W22 S23W22-G27 PolarHBondContact NE1-O 3.37Å; S23-G27 PolarHBondContact O-N 3.34Å
28Y91.9Very high92.3Very high24 Ų2425.8 Ų25.89%0.09414%0.135CC..EExtended strand (participates in β ladder)trans-82.8144.3174.1-65.6-84.1000111.7W22 S23 H26 V40 L41 K42 M62 W78 W104W22-Y28 CarbonylContact C-O 3.58Å; W22-Y28 WeakPolarHBondContact CA-O 3.49Å; S23-Y28 WeakPolarHBondContact CB-O 3.47Å; S23-Y28 PolarHBondContact N-O 3.11Å; H26-Y28 VanDerWaalsContact C-N 3.35Å; H26-Y28 HydrophobicContact CB-CD2 3.62Å; H26-Y28 HydrophobicContact CB-CE2 3.77Å; H26-Y28 PolarHBondContact O-N 3.4Å; Y28-V40 HydrophobicContact CD1-CG1 4.01Å; Y28-V40 HydrophobicContact CG-CG1 4.45Å; Y28-L41 CarbonylContact C-O 3.53Å; Y28-L41 VanDerWaalsContact CA-O 3.31Å; Y28-L41 WeakPolarHBondContact CA-O 3.48Å; Y28-K42 HydrophobicContact CD1-CB 3.74Å; Y28-K42 HydrophobicContact CD1-CD 4.12Å; Y28-K42 HydrophobicContact CD1-CG 3.87Å; Y28-K42 HydrophobicContact CE1-CB 3.84Å; Y28-K42 HydrophobicContact CE1-CD 3.58Å; Y28-K42 HydrophobicContact CE1-CG 3.85Å; Y28-K42 HydrophobicContact CE2-CD 4.47Å; Y28-K42 HydrophobicContact CG-CG 4.43Å; Y28-M62 HydrophobicContact CD1-SD 4.11Å; Y28-M62 HydrophobicContact CE1-CE 4.06Å; Y28-M62 HydrophobicContact CE1-SD 3.59Å; Y28-M62 VanDerWaalsContact CE1-SD 3.59Å; Y28-W78 HydrophobicContact CG-CH2 4.14Å; Y28-W104 HydrophobicContact CD2-CZ2 4.29Å; Y28-W104 HydrophobicContact CE2-CZ2 4.49Å; Y28-W104 HydrophobicContact CG-CZ2 4.39Å
29V94.1Very high92.4Very high0 Ų023.8 Ų23.80%013%0.126CC..EExtended strand (participates in β ladder)trans-115.7121.4173.4-168.90000108.8W22 V40 L41 L325 F327W22-V29 HydrophobicContact CB-CG2 4.43Å; W22-V29 HydrophobicContact CD2-CG2 3.58Å; W22-V29 HydrophobicContact CE3-CG2 4.24Å; W22-V29 HydrophobicContact CG-CG2 3.68Å; W22-V29 HydrophobicContact CZ2-CG2 4.09Å; V29-V40 CarbonylContact O-C 3.6Å; V29-V40 WeakPolarHBondContact O-CA 3.46Å; V29-L41 HydrophobicContact CB-CB 4.39Å; V29-L41 PolarHBondContact N-O 3.23Å; V29-L41 PolarHBondContact O-N 2.88Å; V29-L325 HydrophobicContact CG1-CD2 4Å; V29-F327 HydrophobicContact CG2-CE1 4.39Å
30A95.3Very high92.4Very high0 Ų023.3 Ų23.30%012%0.122CC..EExtended strand (participates in β ladder)trans-102.9136.5172.800000109.8A20 S21 K39 V40 I76 W78A20-A30 CarbonylContact C-O 3.55Å; A20-A30 VanDerWaalsContact CA-O 3.29Å; A20-A30 WeakPolarHBondContact CA-O 3.2Å; S21-A30 PolarHBondContact N-O 3.47Å; S21-A30 PolarHBondContact O-N 3.49Å; A30-K39 CarbonylContact C-O 3.57Å; A30-K39 VanDerWaalsContact CA-O 3.25Å; A30-K39 WeakPolarHBondContact CA-O 3.49Å; A30-V40 HydrophobicContact CB-CG2 4.27Å; A30-I76 HydrophobicContact CB-CD1 4.47Å; A30-I76 HydrophobicContact CB-CG2 3.69Å; A30-W78 HydrophobicContact CB-CH2 4.5Å; A30-W78 HydrophobicContact CB-CZ2 3.63Å
31C95.4Very high92.3Very high0 Ų022.7 Ų22.70%012%0.117CC..EExtended strand (participates in β ladder)trans-134.5137.3174.560.60000111.6L17 S19 A20 L38 K39L17-C31 HydrophobicContact CD1-CB 4.38Å; L17-C31 HydrophobicContact CD2-CB 3.94Å; S19-C31 WeakPolarHBondContact O-CA 3.24Å; A20-C31 HydrophobicContact CB-CB 4.43Å; C31-L38 WeakPolarHBondContact O-CA 3.23Å; C31-K39 PolarHBondContact N-O 2.9Å; C31-K39 PolarHBondContact O-N 3.3Å
32G95.3Very high92.1Very high0 Ų023.5 Ų23.50%012%0.118CC..EExtended strand (participates in β ladder)trans-117.2144.5-179.400000110.5L17 K18 S19 L37L17-G32 CarbonylContact C-O 3.59Å; L17-G32 WeakPolarHBondContact CA-O 3.45Å; K18-G32 PolarHBondContact N-O 3.42Å; S19-G32 PolarHBondContact N-O 3.18Å; S19-G32 VanDerWaalsContact N-O 3.12Å; S19-G32 PolarHBondContact O-N 3.46Å; S19-G32 WeakPolarHBondContact OG-CA 3.28Å; G32-L37 CarbonylContact C-O 3.57Å; G32-L37 VanDerWaalsContact CA-O 3.24Å; G32-L37 WeakPolarHBondContact CA-O 3.48Å
33G94.3Very high91.7Very high0 Ų023.7 Ų23.70%012%0.119CC..EExtended strand (participates in β ladder)trans-146-163.4-177.700000113.7K16 L37 D72 V73K16-G33 CarbonylContact O-C 3.59Å; K16-G33 WeakPolarHBondContact O-CA 3.2Å; G33-L37 PolarHBondContact N-O 3.13Å; G33-D72 WeakPolarHBondContact O-CA 3.47Å; G33-V73 PolarHBondContact O-N 3.5Å
34E94.2Very high91Very high45 Ų4527.6 Ų27.621%0.2114%0.137CC..SBendtrans-65.4154.5176.8-66174.5167.400111.8K16 K18 G36 L37 D72K16-E34 HydrophobicContact CB-CG 4.22Å; K16-E34 PolarHBondContact N-OE2 3.27Å; K16-E34 PolarHBondContact O-N 2.72Å; K18-E34 VanDerWaalsContact CE-OE1 3.31Å; K18-E34 WeakPolarHBondContact CE-OE1 3.4Å; K18-E34 IonicContact NZ-OE1 3.97Å; K18-E34 PolarHBondContact NZ-OE1 2.89Å; E34-G36 VanDerWaalsContact C-N 3.35Å; E34-G36 PolarHBondContact O-N 3.16Å; E34-L37 WeakPolarHBondContact O-CB 3.48Å; E34-L37 PolarHBondContact O-N 3.37Å; E34-D72 VanDerWaalsContact CA-OD1 3.29Å; E34-D72 WeakPolarHBondContact CA-OD1 3.04Å
35D91.2Very high90.3Very high138 Ų13827.1 Ų27.174%0.73814%0.14SC*.THydrogen-bonded Turntrans57.838.9174.9-54.4-40.5000114.4L37 D72D35-L37 PolarHBondContact O-N 3.5Å; D35-D72 PolarHBondContact N-OD1 2.95Å
36G91.1Very high89.3Confident8 Ų827.2 Ų27.28%0.08214%0.141CC..THydrogen-bonded Turntrans75.37.417700000114.9E34 L38 H69 D71E34-G36 VanDerWaalsContact C-N 3.35Å; E34-G36 PolarHBondContact O-N 3.16Å; G36-L38 PolarHBondContact O-N 3.42Å; G36-L38 VanDerWaalsContact O-N 3.09Å; G36-H69 WeakPolarHBondContact CA-O 3.4Å; G36-D71 WeakPolarHBondContact CA-O 3.35Å; G36-D71 PolarHBondContact N-O 3.46Å; G36-D71 VanDerWaalsContact N-O 3.12Å
37L93.6Very high88Confident24 Ų2432.8 Ų32.813%0.12617%0.172CC..  trans-60.3117.9179.3177.783.7000110.5I11 A15 L17 G32 G33 E34 D35 K39I11-L37 HydrophobicContact CG2-CD1 4.3Å; I11-L37 HydrophobicContact CG2-CD2 3.22Å; I11-L37 HydrophobicContact CG2-CG 4.38Å; A15-L37 HydrophobicContact CB-CD2 4.04Å; L17-L37 HydrophobicContact CD2-CD2 4.03Å; G32-L37 CarbonylContact C-O 3.57Å; G32-L37 VanDerWaalsContact CA-O 3.24Å; G32-L37 WeakPolarHBondContact CA-O 3.48Å; G33-L37 PolarHBondContact N-O 3.13Å; E34-L37 WeakPolarHBondContact O-CB 3.48Å; E34-L37 PolarHBondContact O-N 3.37Å; D35-L37 PolarHBondContact O-N 3.5Å; L37-K39 HydrophobicContact CD1-CD 4.22Å; L37-K39 HydrophobicContact CD1-CG 4.2Å
38L95Very high86.5Confident1 Ų136.7 Ų36.71%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-131.8126.7166.9-179.759.8000109.7C31 G36 T65 L66 V73 I76 S87 W97C31-L38 WeakPolarHBondContact O-CA 3.23Å; G36-L38 PolarHBondContact O-N 3.42Å; G36-L38 VanDerWaalsContact O-N 3.09Å; L38-T65 WeakPolarHBondContact O-CA 3.24Å; L38-L66 HydrophobicContact CB-CB 4.23Å; L38-L66 HydrophobicContact CD2-CB 3.91Å; L38-L66 HydrophobicContact CD2-CD1 3.89Å; L38-L66 HydrophobicContact CD2-CG 4.43Å; L38-L66 HydrophobicContact CG-CB 3.97Å; L38-L66 HydrophobicContact CG-CD1 4.08Å; L38-L66 HydrophobicContact CG-CG 4.34Å; L38-L66 PolarHBondContact O-N 2.82Å; L38-V73 HydrophobicContact CD1-CG1 4.42Å; L38-I76 HydrophobicContact CD1-CD1 3.52Å; L38-I76 HydrophobicContact CD1-CG1 4.19Å; L38-S87 WeakPolarHBondContact CD2-OG 3.49Å; L38-W97 HydrophobicContact CD2-CZ2 3.7Å
39K94.6Very high84.8Confident18 Ų1841.1 Ų41.18%0.07822%0.224CC..EExtended strand (participates in β ladder)trans-131.1142.7178.6-76.7-175167.3-121.80112I11 A30 C31 L37 N63 Q64 T65I11-K39 HydrophobicContact CD1-CD 4.5Å; A30-K39 CarbonylContact C-O 3.57Å; A30-K39 VanDerWaalsContact CA-O 3.25Å; A30-K39 WeakPolarHBondContact CA-O 3.49Å; C31-K39 PolarHBondContact N-O 2.9Å; C31-K39 PolarHBondContact O-N 3.3Å; L37-K39 HydrophobicContact CD1-CD 4.22Å; L37-K39 HydrophobicContact CD1-CG 4.2Å; K39-N63 PolarHBondContact NZ-OD1 3Å; K39-Q64 CarbonylContact C-O 3.48Å; K39-Q64 WeakPolarHBondContact CA-O 3.46Å; K39-T65 WeakPolarHBondContact CE-OG1 3.49Å; K39-T65 HydrophobicContact CG-CG2 4.4Å
40V95Very high83.2Confident0 Ų049.7 Ų49.70%026%0.261CS..EExtended strand (participates in β ladder)trans-117.5125.8170.8-175.60000109.6Y28 V29 A30 Q64 L66 W78 I85Y28-V40 HydrophobicContact CD1-CG1 4.01Å; Y28-V40 HydrophobicContact CG-CG1 4.45Å; V29-V40 CarbonylContact O-C 3.6Å; V29-V40 WeakPolarHBondContact O-CA 3.46Å; A30-V40 HydrophobicContact CB-CG2 4.27Å; V40-Q64 PolarHBondContact N-O 3.28Å; V40-Q64 PolarHBondContact O-N 3.27Å; V40-L66 HydrophobicContact CG2-CD1 3.58Å; V40-L66 HydrophobicContact CG2-CG 4.16Å; V40-W78 HydrophobicContact CG1-CH2 4.18Å; V40-I85 HydrophobicContact CG1-CD1 4.44Å; V40-I85 HydrophobicContact CG2-CD1 3.66Å
41L93.6Very high81.8Confident2 Ų252.9 Ų52.91%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-116.3150.6-177.9-52175.7000109.3I9 Y28 V29 L60 M62 N63 L325I9-L41 HydrophobicContact CD1-CD1 4.05Å; Y28-L41 CarbonylContact C-O 3.53Å; Y28-L41 VanDerWaalsContact CA-O 3.31Å; Y28-L41 WeakPolarHBondContact CA-O 3.48Å; V29-L41 HydrophobicContact CB-CB 4.39Å; V29-L41 PolarHBondContact N-O 3.23Å; V29-L41 PolarHBondContact O-N 2.88Å; L41-L60 HydrophobicContact CB-CD1 4.08Å; L41-L60 HydrophobicContact CD2-CD1 4.28Å; L41-M62 CarbonylContact C-O 3.5Å; L41-M62 VanDerWaalsContact CA-O 3.28Å; L41-M62 WeakPolarHBondContact CA-O 3.29Å; L41-N63 HydrophobicContact CD2-CB 4.02Å; L41-N63 WeakPolarHBondContact CD2-OD1 3.31Å; L41-L325 HydrophobicContact CD1-CD2 3.86Å
42K90.6Very high80.5Confident40 Ų4056 Ų5617%0.17429%0.289CS..EExtended strand (participates in β ladder)trans-131.8122.9167.8-161.6-172-169-1710110Y28 E44 V61 M62Y28-K42 HydrophobicContact CD1-CB 3.74Å; Y28-K42 HydrophobicContact CD1-CD 4.12Å; Y28-K42 HydrophobicContact CD1-CG 3.87Å; Y28-K42 HydrophobicContact CE1-CB 3.84Å; Y28-K42 HydrophobicContact CE1-CD 3.58Å; Y28-K42 HydrophobicContact CE1-CG 3.85Å; Y28-K42 HydrophobicContact CE2-CD 4.47Å; Y28-K42 HydrophobicContact CG-CG 4.43Å; K42-E44 HydrophobicContact CD-CG 4.04Å; K42-E44 VanDerWaalsContact CE-OE1 3.24Å; K42-E44 WeakPolarHBondContact CE-OE1 3.44Å; K42-E44 HydrophobicContact CG-CG 4.28Å; K42-E44 IonicContact NZ-OE1 3.23Å; K42-E44 PolarHBondContact NZ-OE1 2.68Å; K42-V61 PolarHBondContact O-N 3.29Å; K42-M62 HydrophobicContact CB-CB 3.62Å; K42-M62 PolarHBondContact N-O 2.82Å; K42-M62 PolarHBondContact O-N 3.3Å
43L83.3Confident79.3Confident8 Ų857.1 Ų57.14%0.04230%0.301CS..EExtended strand (participates in β ladder)trans-103.9105.8175.1-67.8176.9000108.9N59 L60 F327L43-N59 WeakPolarHBondContact CA-O 3.25Å; L43-L60 HydrophobicContact CD2-CB 4.28Å; L43-L60 HydrophobicContact CD2-CD1 3.93Å; L43-F327 HydrophobicContact CD1-CD1 3.93Å; L43-F327 HydrophobicContact CD1-CE1 3.39Å; L43-F327 HydrophobicContact CD1-CE2 4.07Å; L43-F327 HydrophobicContact CD1-CG 4.46Å; L43-F327 HydrophobicContact CD1-CZ 3.47Å; L43-F327 VanDerWaalsContact CD1-CZ 3.47Å
44E77.4Confident78.4Confident81 Ų8158.4 Ų58.438%0.37931%0.308SS..EExtended strand (participates in β ladder)trans-97.7138.2174.7-66.6-173.2166.900110.5K42 T58 N59 V61K42-E44 HydrophobicContact CD-CG 4.04Å; K42-E44 VanDerWaalsContact CE-OE1 3.24Å; K42-E44 WeakPolarHBondContact CE-OE1 3.44Å; K42-E44 HydrophobicContact CG-CG 4.28Å; K42-E44 IonicContact NZ-OE1 3.23Å; K42-E44 PolarHBondContact NZ-OE1 2.68Å; E44-T58 CarbonylContact O-C 3.54Å; E44-T58 WeakPolarHBondContact O-CA 3.3Å; E44-N59 PolarHBondContact N-O 2.83Å; E44-N59 PolarHBondContact O-N 3.42Å; E44-V61 HydrophobicContact CB-CG2 3.73Å; E44-V61 HydrophobicContact CG-CB 4.28Å; E44-V61 HydrophobicContact CG-CG2 3.91Å
45V72.5Confident77.4Confident58 Ų5856.4 Ų56.435%0.35230%0.299SS..EExtended strand (participates in β ladder)trans-75.7125.9170.5-179.20000107.7N47 A56 T58V45-N47 PolarHBondContact O-N 3.28Å; V45-A56 HydrophobicContact CG1-CB 3.2Å; V45-T58 HydrophobicContact CG2-CG2 4.16Å
46Q64.9Low76.5Confident68 Ų6850.2 Ų50.232%0.31827%0.267SS..PPolyproline II helixtrans-65.4117.9171-80.1-176-39.500109.2D48 Q57 N59Q46-D48 PolarHBondContact O-N 3.36Å; Q46-Q57 PolarHBondContact N-O 3.02Å; Q46-N59 VanDerWaalsContact CG-ND2 3.31Å; Q46-N59 WeakPolarHBondContact CG-ND2 3.36Å; Q46-N59 PolarHBondContact NE2-ND2 3.09Å
47N56.8Low75.6Confident159 Ų15955.1 Ų55.185%0.8529%0.288SS*.  trans-74.664.3170.3-75.7-11.3000110.2V45V45-N47 PolarHBondContact O-N 3.28Å
48D56.3Low74.7Confident96 Ų9655.8 Ų55.851%0.51329%0.293SS..  trans-85.7126.7164.3-85.6-13.4000108.3Q46 K50 H51Q46-D48 PolarHBondContact O-N 3.36Å; D48-K50 PolarHBondContact O-N 3.11Å; D48-H51 PolarHBondContact O-N 3.46Å
49S56.2Low73.9Confident118 Ų11858.9 Ų58.983%0.82531%0.309SS*.THydrogen-bonded Turntrans-56.2-14.6-178.9560000114.4
50K61.5Low73.5Confident179 Ų17961.4 Ų61.478%0.77832%0.323SS*.THydrogen-bonded Turntrans-85.5-27.8-177.3-67.7-176.7178.91780114.7D48D48-K50 PolarHBondContact O-N 3.11Å
51H65.7Low73.1Confident67 Ų6765.4 Ų65.431%0.3135%0.348SS..  trans-129.6116.7-173.3-59.6-63.5000110.1D48 A56 H640D48-H51 PolarHBondContact O-N 3.46Å; H51-A56 WeakPolarHBondContact O-CB 3.43Å; H51-H640 PolarHBondContact CE1-O 3.15Å; H51-H640 PolarHBondContact ND1-O 3Å; H51-H640 VanDerWaalsContact ND1-O 3.09Å
52K67.7Low72.9Confident66 Ų6666.9 Ų66.929%0.28736%0.355SS..  trans-109.4158179.7-64.2-176.1178.5-178.30111.2L657 E672K52-L657 HydrophobicContact CB-CD1 4.14Å; K52-E672 IonicContact NZ-OE2 2.69Å; K52-E672 PolarHBondContact NZ-OE2 3.46Å
53G69.5Low73Confident24 Ų2469.3 Ų69.325%0.24737%0.37CS..G310 helixtrans64.7-145.2173.900000114.8A55 A56 E660G53-A55 PolarHBondContact O-N 3.16Å; G53-A56 WeakPolarHBondContact O-CB 3.5Å; G53-A56 PolarHBondContact O-N 3.32Å; G53-E660 WeakPolarHBondContact CA-OE1 3.3Å
54L76.5Confident73.5Confident27 Ų2771 Ų7114%0.14138%0.378CS..G310 helixtrans-60.1-18.4-177.9-72.3170.9000114.1R316 N329 T625 D659L54-R316 HydrophobicContact CD2-CG 3.93Å; L54-N329 HydrophobicContact CD2-CB 4.26Å; L54-T625 WeakPolarHBondContact O-CG2 3.34Å; L54-D659 WeakPolarHBondContact CD1-OD2 3.23Å
55A73.1Confident74.3Confident2 Ų270.4 Ų70.42%0.01738%0.379CS..G310 helixtrans-85.6-4.817600000113.5G53 H640G53-A55 PolarHBondContact O-N 3.16Å; A55-H640 PolarHBondContact O-CD2 3.09Å; A55-H640 PolarHBondContact O-NE2 3.37Å
56A72.1Confident75.3Confident8 Ų867.9 Ų67.97%0.06636%0.364CS..SBendtrans-74.8138.7174.300000110.3V45 H51 G53V45-A56 HydrophobicContact CG1-CB 3.2Å; H51-A56 WeakPolarHBondContact O-CB 3.43Å; G53-A56 WeakPolarHBondContact O-CB 3.5Å; G53-A56 PolarHBondContact O-N 3.32Å
57Q71Confident76.5Confident112 Ų11272.7 Ų72.752%0.52339%0.386SS..  trans-71.2136.3-178.2-68.5-172.52.900110.7Q46Q46-Q57 PolarHBondContact N-O 3.02Å
58T76.2Confident78.1Confident38 Ų3866.9 Ų66.923%0.23336%0.364CS..EExtended strand (participates in β ladder)trans-106116.2-179.261.10000110.5K7 E44 V45K7-T58 PolarHBondContact NZ-O 2.94Å; E44-T58 CarbonylContact O-C 3.54Å; E44-T58 WeakPolarHBondContact O-CA 3.3Å; V45-T58 HydrophobicContact CG2-CG2 4.16Å
59N77.9Confident79.8Confident66 Ų6663.1 Ų63.135%0.35334%0.343SS..EExtended strand (participates in β ladder)trans-95.1143.7177.2-72.7-17.1000111.1L43 E44 Q46 V61L43-N59 WeakPolarHBondContact CA-O 3.25Å; E44-N59 PolarHBondContact N-O 2.83Å; E44-N59 PolarHBondContact O-N 3.42Å; Q46-N59 VanDerWaalsContact CG-ND2 3.31Å; Q46-N59 WeakPolarHBondContact CG-ND2 3.36Å; Q46-N59 PolarHBondContact NE2-ND2 3.09Å; N59-V61 HydrophobicContact CB-CG2 4.38Å; N59-V61 PolarHBondContact O-N 3.13Å
60L84.9Confident81.5Confident70 Ų7061.8 Ų61.837%0.36633%0.334SS..EExtended strand (participates in β ladder)trans-81.5101.5170.6-175.968.6000107.8I9 L41 L43 M62 N63I9-L60 HydrophobicContact CD1-CD1 4.48Å; L41-L60 HydrophobicContact CB-CD1 4.08Å; L41-L60 HydrophobicContact CD2-CD1 4.28Å; L43-L60 HydrophobicContact CD2-CB 4.28Å; L43-L60 HydrophobicContact CD2-CD1 3.93Å; L60-M62 VanDerWaalsContact CD1-O 3.25Å; L60-M62 WeakPolarHBondContact CD1-O 3.35Å; L60-N63 HydrophobicContact CD2-CB 4.04Å; L60-N63 HydrophobicContact CG-CB 4.38Å
61V87.8Confident82.9Confident85 Ų8555 Ų5552%0.51531%0.306SS..EExtended strand (participates in β ladder)trans-91.5-28.3-175.8179.10000111.5K42 E44 N59K42-V61 PolarHBondContact O-N 3.29Å; E44-V61 HydrophobicContact CB-CG2 3.73Å; E44-V61 HydrophobicContact CG-CB 4.28Å; E44-V61 HydrophobicContact CG-CG2 3.91Å; N59-V61 HydrophobicContact CB-CG2 4.38Å; N59-V61 PolarHBondContact O-N 3.13Å
62M88.8Confident84.3Confident33 Ų3352.9 Ų52.916%0.16330%0.297CS..EExtended strand (participates in β ladder)trans-130.4139.3175-173.7173.8-74.400110.4Y28 L41 K42 L60 Q64 G102Y28-M62 HydrophobicContact CD1-SD 4.11Å; Y28-M62 HydrophobicContact CE1-CE 4.06Å; Y28-M62 HydrophobicContact CE1-SD 3.59Å; Y28-M62 VanDerWaalsContact CE1-SD 3.59Å; L41-M62 CarbonylContact C-O 3.5Å; L41-M62 VanDerWaalsContact CA-O 3.28Å; L41-M62 WeakPolarHBondContact CA-O 3.29Å; K42-M62 HydrophobicContact CB-CB 3.62Å; K42-M62 PolarHBondContact N-O 2.82Å; K42-M62 PolarHBondContact O-N 3.3Å; L60-M62 VanDerWaalsContact CD1-O 3.25Å; L60-M62 WeakPolarHBondContact CD1-O 3.35Å; M62-Q64 HydrophobicContact CG-CB 4.45Å; M62-G102 WeakPolarHBondContact CE-O 3.49Å
63N91.9Very high85.6Confident90 Ų9049.8 Ų49.848%0.48128%0.283SS..EExtended strand (participates in β ladder)trans-150.185.5171.8-179.23.9000108K39 L41 L60K39-N63 PolarHBondContact NZ-OD1 3Å; L41-N63 HydrophobicContact CD2-CB 4.02Å; L41-N63 WeakPolarHBondContact CD2-OD1 3.31Å; L60-N63 HydrophobicContact CD2-CB 4.04Å; L60-N63 HydrophobicContact CG-CB 4.38Å
64Q94.1Very high86.7Confident45 Ų4552.2 Ų52.221%0.2129%0.289CS..EExtended strand (participates in β ladder)trans-107.9129.6-178.1-172.8179.7-10.500109.4K39 V40 M62 L66 W104K39-Q64 CarbonylContact C-O 3.48Å; K39-Q64 WeakPolarHBondContact CA-O 3.46Å; V40-Q64 PolarHBondContact N-O 3.28Å; V40-Q64 PolarHBondContact O-N 3.27Å; M62-Q64 HydrophobicContact CG-CB 4.45Å; Q64-L66 HydrophobicContact CG-CD2 3.87Å; Q64-W104 PolarHBondContact NE2-O 2.97Å
65T94Very high87.5Confident67 Ų6751.7 Ų51.741%0.41129%0.286SS..EExtended strand (participates in β ladder)trans-86.7134.8165.1-52.20000108.2L38 K39L38-T65 WeakPolarHBondContact O-CA 3.24Å; K39-T65 WeakPolarHBondContact CE-OG1 3.49Å; K39-T65 HydrophobicContact CG-CG2 4.4Å
66L94.4Very high88.6Confident6 Ų652.2 Ų52.23%0.03129%0.289CS..EExtended strand (participates in β ladder)trans-104.9121.2176.5-54.9-174.2000108.2L38 V40 Q64 W97 W104L38-L66 HydrophobicContact CB-CB 4.23Å; L38-L66 HydrophobicContact CD2-CB 3.91Å; L38-L66 HydrophobicContact CD2-CD1 3.89Å; L38-L66 HydrophobicContact CD2-CG 4.43Å; L38-L66 HydrophobicContact CG-CB 3.97Å; L38-L66 HydrophobicContact CG-CD1 4.08Å; L38-L66 HydrophobicContact CG-CG 4.34Å; L38-L66 PolarHBondContact O-N 2.82Å; V40-L66 HydrophobicContact CG2-CD1 3.58Å; V40-L66 HydrophobicContact CG2-CG 4.16Å; Q64-L66 HydrophobicContact CG-CD2 3.87Å; L66-W97 HydrophobicContact CB-CD2 4.41Å; L66-W97 HydrophobicContact CB-CE3 4.1Å; L66-W97 HydrophobicContact CB-CH2 3.66Å; L66-W97 HydrophobicContact CB-CZ2 3.96Å; L66-W97 HydrophobicContact CB-CZ3 3.71Å; L66-W97 HydrophobicContact CD1-CD2 3.68Å; L66-W97 HydrophobicContact CD1-CE3 3.83Å; L66-W97 HydrophobicContact CD1-CG 4Å; L66-W97 HydrophobicContact CD1-CZ3 4.33Å; L66-W97 HydrophobicContact CD2-CE3 4.28Å; L66-W97 HydrophobicContact CD2-CZ3 4.39Å; L66-W97 HydrophobicContact CG-CE3 4.28Å; L66-W97 HydrophobicContact CG-CZ3 4.34Å; L66-W104 HydrophobicContact CD1-CB 4.29Å; L66-W104 HydrophobicContact CD2-CB 3.62Å
67E90.7Very high89.7Confident169 Ų16952.8 Ų52.879%0.7929%0.291SS*.  trans-101.3126.5-178.2-64.1179.8178.600108.6W97 E106E67-W97 WeakPolarHBondContact O-CH2 3.46Å; E67-E106 VanDerWaalsContact O-OE1 3.06Å
68G89.6Confident90.9Very high37 Ų3748.6 Ų48.638%0.38127%0.27SS..  trans173.5-36.1179.800000113.4E106G68-E106 WeakPolarHBondContact CA-OE1 3.11Å
69H92.7Very high91.7Very high17 Ų1747.3 Ų47.38%0.07926%0.262CS..  trans-83.5142.6172.9-70.3-69.9000111.8G36 V73 S87 D89 L93G36-H69 WeakPolarHBondContact CA-O 3.4Å; H69-V73 HydrophobicContact CB-CG2 3.88Å; H69-S87 PolarHBondContact NE2-OG 3.26Å; H69-D89 HydrophobicContact CB-CB 4.45Å; H69-D89 IonicContact CE1-OD2 3.93Å; H69-D89 IonicContact CG-OD2 3.85Å; H69-D89 WeakPolarHBondContact ND1-CB 3.42Å; H69-D89 IonicContact ND1-OD2 2.94Å; H69-D89 PolarHBondContact ND1-OD2 2.85Å; H69-L93 PolarHBondContact CE1-O 3.45Å
70S91.2Very high92.3Very high89 Ų8945.6 Ų45.662%0.62225%0.252SS*.SBendtrans-100-13.3173.150.80000113.5
71D91.9Very high92.5Very high36 Ų3647 Ų4719%0.19326%0.255CS..SBendtrans-134.6171.3-167.1-72.9-91.9000111.5G36 V73 D89 Q90 N91G36-D71 WeakPolarHBondContact CA-O 3.35Å; G36-D71 PolarHBondContact N-O 3.46Å; G36-D71 VanDerWaalsContact N-O 3.12Å; D71-V73 PolarHBondContact O-N 3.15Å; D71-D89 HydrophobicContact CB-CB 4.18Å; D71-Q90 HydrophobicContact CB-CG 3.75Å; D71-Q90 PolarHBondContact OD1-NE2 2.68Å; D71-N91 PolarHBondContact OD1-ND2 2.86Å; D71-N91 PolarHBondContact OD2-ND2 2.94Å
72D94.3Very high92.7Very high24 Ų2447.1 Ų47.113%0.12825%0.248CC..  trans-51.8122-176.7-7016000113K18 G33 E34 D35 Q74 D89 Q90K18-D72 VanDerWaalsContact CE-OD2 3.3Å; K18-D72 WeakPolarHBondContact CE-OD2 3.36Å; K18-D72 IonicContact NZ-OD2 3.94Å; G33-D72 WeakPolarHBondContact O-CA 3.47Å; E34-D72 VanDerWaalsContact CA-OD1 3.29Å; E34-D72 WeakPolarHBondContact CA-OD1 3.04Å; D35-D72 PolarHBondContact N-OD1 2.95Å; D72-Q74 VanDerWaalsContact CB-NE2 3.27Å; D72-Q74 PolarHBondContact O-N 3.3Å; D72-D89 CarbonylContact O-C 3.49Å; D72-D89 VanDerWaalsContact O-CA 3.22Å; D72-D89 WeakPolarHBondContact O-CA 3.27Å; D72-D89 WeakPolarHBondContact O-CB 3.39Å; D72-Q90 PolarHBondContact O-N 3.42Å
73V95.3Very high92.8Very high0 Ų052.1 Ų52.10%027%0.265CS..EExtended strand (participates in β ladder)trans-83.6107.2-178.9-178.10000110.7S19 G33 L38 H69 D71 I76 S88S19-V73 PolarHBondContact OG-O 3.01Å; G33-V73 PolarHBondContact O-N 3.5Å; L38-V73 HydrophobicContact CD1-CG1 4.42Å; H69-V73 HydrophobicContact CB-CG2 3.88Å; D71-V73 PolarHBondContact O-N 3.15Å; V73-I76 HydrophobicContact CG1-CD1 4.22Å; V73-I76 HydrophobicContact CG1-CG1 4.02Å; V73-S88 CarbonylContact C-O 3.55Å
74Q92.1Very high92.9Very high76 Ų7648.9 Ų48.936%0.35525%0.247SC..EExtended strand (participates in β ladder)trans-93.7-35-168.7-62.1-60.7-33.700114.3S19 D72 S88 Q90S19-Q74 VanDerWaalsContact CB-O 3.31Å; S19-Q74 WeakPolarHBondContact CB-O 3.5Å; D72-Q74 VanDerWaalsContact CB-NE2 3.27Å; D72-Q74 PolarHBondContact O-N 3.3Å; Q74-S88 PolarHBondContact N-O 2.94Å; Q74-Q90 HydrophobicContact CG-CB 4.36Å
75V94.3Very high93Very high16 Ų1646.8 Ų46.810%0.09724%0.237CC..EExtended strand (participates in β ladder)trans-131.7133.8-174.4-175.20000109.4I77 S87 S88 M120V75-I77 HydrophobicContact CG1-CG2 4.23Å; V75-S87 CarbonylContact O-C 3.56Å; V75-S87 VanDerWaalsContact O-CA 3.29Å; V75-S87 WeakPolarHBondContact O-CA 3.3Å; V75-S88 WeakPolarHBondContact CB-OG 3.32Å; V75-S88 PolarHBondContact N-O 3.29Å; V75-S88 PolarHBondContact O-N 3.37Å; V75-M120 HydrophobicContact CB-CE 3.83Å; V75-M120 HydrophobicContact CG1-CB 4.25Å; V75-M120 HydrophobicContact CG1-CE 3.66Å; V75-M120 HydrophobicContact CG1-CG 4.41Å
76I96.2Very high93.1Very high12 Ų1244 Ų446%0.06222%0.22CC..EExtended strand (participates in β ladder)trans-137.1127.6175.5-59171000108.5S19 S21 A30 L38 V73 I85 T86S19-I76 WeakPolarHBondContact OG-CD1 3.37Å; S21-I76 WeakPolarHBondContact CB-O 3.25Å; A30-I76 HydrophobicContact CB-CD1 4.47Å; A30-I76 HydrophobicContact CB-CG2 3.69Å; L38-I76 HydrophobicContact CD1-CD1 3.52Å; L38-I76 HydrophobicContact CD1-CG1 4.19Å; V73-I76 HydrophobicContact CG1-CD1 4.22Å; V73-I76 HydrophobicContact CG1-CG1 4.02Å; I76-I85 HydrophobicContact CG2-CG2 3.8Å; I76-T86 WeakPolarHBondContact CA-O 3.46Å
77I95.4Very high93.2Very high21 Ų2143.7 Ų43.711%0.10822%0.219CC..EExtended strand (participates in β ladder)trans-133.8150.9177.665.1174.6000112.4V75 I85 T86 M120 V122 I130V75-I77 HydrophobicContact CG1-CG2 4.23Å; I77-I85 WeakPolarHBondContact O-CA 3.38Å; I77-T86 PolarHBondContact N-O 2.96Å; I77-T86 PolarHBondContact O-N 2.95Å; I77-M120 HydrophobicContact CD1-CB 3.67Å; I77-M120 VanDerWaalsContact CG2-O 3.32Å; I77-M120 WeakPolarHBondContact CG2-O 3.26Å; I77-V122 HydrophobicContact CD1-CG2 3.73Å; I77-I130 HydrophobicContact CD1-CD1 3.67Å; I77-I130 HydrophobicContact CD1-CG1 4.17Å
78W94.4Very high93.4Very high24 Ų2435.7 Ų35.79%0.09118%0.181CC..EExtended strand (participates in β ladder)trans-100.1135.5175.6-66.797.2000110.9S21 Y28 A30 V40 I85 W104S21-W78 VanDerWaalsContact C-NE1 3.33Å; S21-W78 PolarHBondContact O-NE1 3.4Å; Y28-W78 HydrophobicContact CG-CH2 4.14Å; A30-W78 HydrophobicContact CB-CH2 4.5Å; A30-W78 HydrophobicContact CB-CZ2 3.63Å; V40-W78 HydrophobicContact CG1-CH2 4.18Å; W78-I85 HydrophobicContact CD2-CG1 4.05Å; W78-I85 HydrophobicContact CE3-CD1 4.23Å; W78-I85 HydrophobicContact CE3-CG1 3.47Å; W78-I85 VanDerWaalsContact CE3-CG1 3.47Å; W78-I85 HydrophobicContact CH2-CD1 3.28Å; W78-I85 HydrophobicContact CH2-CG1 3.51Å; W78-I85 HydrophobicContact CZ2-CD1 3.99Å; W78-I85 HydrophobicContact CZ2-CG1 4.1Å; W78-I85 HydrophobicContact CZ3-CD1 3.46Å; W78-I85 VanDerWaalsContact CZ3-CD1 3.46Å; W78-I85 HydrophobicContact CZ3-CG1 3.2Å; W78-W104 HydrophobicContact CE3-CH2 4.45Å; W78-W104 HydrophobicContact CH2-CH2 4.34Å; W78-W104 HydrophobicContact CH2-CZ2 4.02Å; W78-W104 AromaticContact CZ3-CH2 3.57Å; W78-W104 HydrophobicContact CZ3-CH2 3.57Å; W78-W104 AromaticContact CZ3-CZ2 3.63Å; W78-W104 HydrophobicContact CZ3-CZ2 3.63Å; W78-W104 HydrophobicContact CZ3-CZ3 4.48Å
79N93.9Very high93.6Very high11 Ų1134 Ų346%0.05916%0.163CC..EExtended strand (participates in β ladder)trans-102.292.6159-173.1-22.6000107.8K81 F82 R83 K84 V122 G127N79-K81 VanDerWaalsContact C-N 3.32Å; N79-K81 PolarHBondContact O-N 2.99Å; N79-K81 PolarHBondContact OD1-N 2.69Å; N79-F82 PolarHBondContact O-N 3.13Å; N79-F82 PolarHBondContact OD1-N 3.17Å; N79-R83 WeakPolarHBondContact O-CA 3.37Å; N79-R83 PolarHBondContact O-N 3.27Å; N79-K84 HydrophobicContact CB-CB 4.21Å; N79-K84 PolarHBondContact N-O 3.24Å; N79-K84 PolarHBondContact O-N 3.42Å; N79-K84 VanDerWaalsContact O-N 3.14Å; N79-V122 HydrophobicContact CB-CG1 4.29Å; N79-V122 HydrophobicContact CB-CG2 4.28Å; N79-G127 PolarHBondContact ND2-O 3.38Å
80E90Very high93.5Very high30 Ų3036.8 Ų36.814%0.1418%0.177CC..THydrogen-bonded Turntrans-61-40.8-174.3-55.1-68.1-179.500111.9S23 K24 E25 H26 F82 R83S23-E80 WeakPolarHBondContact CA-OE1 3.04Å; S23-E80 PolarHBondContact OG-OE2 3.14Å; K24-E80 PolarHBondContact N-OE1 2.73Å; E25-E80 HydrophobicContact CB-CB 4.36Å; E25-E80 HydrophobicContact CG-CB 3.96Å; E25-E80 HydrophobicContact CG-CG 4.36Å; H26-E80 IonicContact CD2-OE2 3.3Å; H26-E80 PolarHBondContact CD2-OE2 3.24Å; H26-E80 PolarHBondContact NE2-O 2.79Å; E80-F82 PolarHBondContact O-N 3.35Å; E80-R83 PolarHBondContact O-N 3.13Å
81K90.5Very high93.4Very high99 Ų9936.7 Ų36.743%0.4317%0.169SC..THydrogen-bonded Turntrans-64.2-39.7-177.5-60.6-55.1178.5-153.40112.9E25 N79E25-K81 IonicContact OE1-NZ 3.94Å; E25-K81 PolarHBondContact OE1-NZ 2.92Å; N79-K81 VanDerWaalsContact C-N 3.32Å; N79-K81 PolarHBondContact O-N 2.99Å; N79-K81 PolarHBondContact OD1-N 2.69Å
82F91.1Very high93.3Very high87 Ų8735 Ų3538%0.38216%0.16SC..THydrogen-bonded Turntrans-100.70.4-179.3-69.4-88.5000113.8N79 E80 K84 D126 Q128 V144N79-F82 PolarHBondContact O-N 3.13Å; N79-F82 PolarHBondContact OD1-N 3.17Å; E80-F82 PolarHBondContact O-N 3.35Å; F82-K84 VanDerWaalsContact C-N 3.28Å; F82-K84 HydrophobicContact CB-CD 4.29Å; F82-K84 HydrophobicContact CB-CG 4.08Å; F82-K84 PolarHBondContact O-N 2.91Å; F82-D126 WeakPolarHBondContact CE2-O 3.2Å; F82-Q128 HydrophobicContact CE2-CG 4.31Å; F82-Q128 HydrophobicContact CZ-CG 4.37Å; F82-V144 HydrophobicContact CB-CG2 4.28Å; F82-V144 HydrophobicContact CD1-CG2 4.12Å; F82-V144 HydrophobicContact CD2-CG2 3.84Å; F82-V144 HydrophobicContact CE1-CG1 4.27Å; F82-V144 HydrophobicContact CE1-CG2 4.42Å; F82-V144 HydrophobicContact CE2-CB 4.45Å; F82-V144 HydrophobicContact CE2-CG1 4.26Å; F82-V144 HydrophobicContact CE2-CG2 4.16Å; F82-V144 HydrophobicContact CG-CG2 3.82Å; F82-V144 HydrophobicContact CZ-CG1 4Å; F82-V144 HydrophobicContact CZ-CG2 4.43Å
83R90.5Very high93.3Very high138 Ų13835 Ų3552%0.52116%0.16SC..THydrogen-bonded Turntrans52.345.2-175.6-58.8-178.8178.9-165.1-3.3112.7H26 N79 E80 W104H26-R83 PolarHBondContact CE1-NE 3Å; H26-R83 VanDerWaalsContact CE1-NE 3.31Å; N79-R83 WeakPolarHBondContact O-CA 3.37Å; N79-R83 PolarHBondContact O-N 3.27Å; E80-R83 PolarHBondContact O-N 3.13Å; R83-W104 WeakPolarHBondContact O-CH2 3.22Å; R83-W104 VanDerWaalsContact O-CZ3 3.28Å; R83-W104 WeakPolarHBondContact O-CZ3 3.41Å
84K94.1Very high93.3Very high23 Ų2335.3 Ų35.310%0.116%0.162CC..EExtended strand (participates in β ladder)trans-112.6151.4177.1-57.8-174.9-179.2-163.60111N79 F82 V96 W97 E107 V144N79-K84 HydrophobicContact CB-CB 4.21Å; N79-K84 PolarHBondContact N-O 3.24Å; N79-K84 PolarHBondContact O-N 3.42Å; N79-K84 VanDerWaalsContact O-N 3.14Å; F82-K84 VanDerWaalsContact C-N 3.28Å; F82-K84 HydrophobicContact CB-CD 4.29Å; F82-K84 HydrophobicContact CB-CG 4.08Å; F82-K84 PolarHBondContact O-N 2.91Å; K84-V96 HydrophobicContact CB-CG1 4.28Å; K84-V96 HydrophobicContact CD-CG1 4.01Å; K84-W97 CarbonylContact C-O 3.58Å; K84-W97 VanDerWaalsContact CA-O 3.22Å; K84-W97 WeakPolarHBondContact CA-O 3.36Å; K84-W97 WeakPolarHBondContact CB-O 3.45Å; K84-E107 VanDerWaalsContact CD-OE2 3.25Å; K84-E107 WeakPolarHBondContact CD-OE2 3.48Å; K84-E107 WeakPolarHBondContact CE-OE2 3.46Å; K84-E107 IonicContact NZ-OE1 3.22Å; K84-E107 PolarHBondContact NZ-OE1 3.47Å; K84-E107 IonicContact NZ-OE2 2.94Å; K84-E107 PolarHBondContact NZ-OE2 3.35Å; K84-V144 HydrophobicContact CD-CG2 4.36Å
85I95.6Very high93.5Very high0 Ų031.8 Ų31.80%015%0.145CC..EExtended strand (participates in β ladder)trans-112.5141.4169.1-57.7163.3000107.3V40 I76 I77 W78 V96 W97 W104V40-I85 HydrophobicContact CG1-CD1 4.44Å; V40-I85 HydrophobicContact CG2-CD1 3.66Å; I76-I85 HydrophobicContact CG2-CG2 3.8Å; I77-I85 WeakPolarHBondContact O-CA 3.38Å; W78-I85 HydrophobicContact CD2-CG1 4.05Å; W78-I85 HydrophobicContact CE3-CD1 4.23Å; W78-I85 HydrophobicContact CE3-CG1 3.47Å; W78-I85 VanDerWaalsContact CE3-CG1 3.47Å; W78-I85 HydrophobicContact CH2-CD1 3.28Å; W78-I85 HydrophobicContact CH2-CG1 3.51Å; W78-I85 HydrophobicContact CZ2-CD1 3.99Å; W78-I85 HydrophobicContact CZ2-CG1 4.1Å; W78-I85 HydrophobicContact CZ3-CD1 3.46Å; W78-I85 VanDerWaalsContact CZ3-CD1 3.46Å; W78-I85 HydrophobicContact CZ3-CG1 3.2Å; I85-V96 CarbonylContact O-C 3.57Å; I85-V96 WeakPolarHBondContact O-CA 3.22Å; I85-W97 HydrophobicContact CB-CB 4.16Å; I85-W97 HydrophobicContact CB-CG 4.48Å; I85-W97 PolarHBondContact N-O 3.29Å; I85-W97 PolarHBondContact O-N 3.16Å; I85-W104 HydrophobicContact CB-CZ3 4.46Å; I85-W104 HydrophobicContact CD1-CD2 3.76Å; I85-W104 HydrophobicContact CD1-CE3 3.63Å; I85-W104 HydrophobicContact CD1-CH2 3.8Å; I85-W104 HydrophobicContact CD1-CZ2 3.91Å; I85-W104 HydrophobicContact CD1-CZ3 3.65Å; I85-W104 HydrophobicContact CG1-CE3 4.08Å; I85-W104 HydrophobicContact CG1-CH2 3.83Å; I85-W104 HydrophobicContact CG1-CZ2 4.4Å; I85-W104 HydrophobicContact CG1-CZ3 3.64Å
86T96.3Very high93.5Very high9 Ų932.1 Ų32.16%0.05515%0.147CC..EExtended strand (participates in β ladder)trans-122.1123.7168.5-540000108.7I76 I77 I94 I95 V96 M120 I130I76-T86 WeakPolarHBondContact CA-O 3.46Å; I77-T86 PolarHBondContact N-O 2.96Å; I77-T86 PolarHBondContact O-N 2.95Å; T86-I94 HydrophobicContact CG2-CG2 3.48Å; T86-I94 VanDerWaalsContact CG2-CG2 3.48Å; T86-I95 WeakPolarHBondContact CA-O 3.26Å; T86-V96 HydrophobicContact CG2-CG2 4.12Å; T86-M120 HydrophobicContact CG2-CE 4.16Å; T86-M120 HydrophobicContact CG2-SD 3.99Å; T86-I130 HydrophobicContact CG2-CD1 4.15Å
87S96.6Very high93.5Very high0 Ų031.9 Ų31.90%015%0.146CC..EExtended strand (participates in β ladder)trans-117.3150.3178.458.70000110.9L38 H69 V75 I94 I95 W97L38-S87 WeakPolarHBondContact CD2-OG 3.49Å; H69-S87 PolarHBondContact NE2-OG 3.26Å; V75-S87 CarbonylContact O-C 3.56Å; V75-S87 VanDerWaalsContact O-CA 3.29Å; V75-S87 WeakPolarHBondContact O-CA 3.3Å; S87-I94 CarbonylContact O-C 3.51Å; S87-I94 VanDerWaalsContact O-CA 3.29Å; S87-I94 WeakPolarHBondContact O-CA 3.31Å; S87-I95 PolarHBondContact N-O 3.46Å; S87-I95 PolarHBondContact O-N 3.37Å; S87-W97 PolarHBondContact OG-NE1 3.16Å
88S95.4Very high93.5Very high0 Ų033.9 Ų33.90%016%0.155CC..EExtended strand (participates in β ladder)trans-137147.2170.270.90000113.1V73 Q74 V75 L93 M120V73-S88 CarbonylContact C-O 3.55Å; Q74-S88 PolarHBondContact N-O 2.94Å; V75-S88 WeakPolarHBondContact CB-OG 3.32Å; V75-S88 PolarHBondContact N-O 3.29Å; V75-S88 PolarHBondContact O-N 3.37Å; S88-L93 WeakPolarHBondContact CA-O 3.45Å; S88-L93 WeakPolarHBondContact CB-O 3.49Å; S88-M120 WeakPolarHBondContact OG-CE 3.37Å
89D93.9Very high93.4Very high1 Ų134.9 Ų34.91%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-100.3176.8174.165.129.7000113.8H69 D71 D72 N91 G92 L93H69-D89 HydrophobicContact CB-CB 4.45Å; H69-D89 IonicContact CE1-OD2 3.93Å; H69-D89 IonicContact CG-OD2 3.85Å; H69-D89 WeakPolarHBondContact ND1-CB 3.42Å; H69-D89 IonicContact ND1-OD2 2.94Å; H69-D89 PolarHBondContact ND1-OD2 2.85Å; D71-D89 HydrophobicContact CB-CB 4.18Å; D72-D89 CarbonylContact O-C 3.49Å; D72-D89 VanDerWaalsContact O-CA 3.22Å; D72-D89 WeakPolarHBondContact O-CA 3.27Å; D72-D89 WeakPolarHBondContact O-CB 3.39Å; D89-N91 PolarHBondContact O-N 3.16Å; D89-N91 PolarHBondContact OD1-N 3.16Å; D89-G92 PolarHBondContact O-N 3.1Å; D89-G92 VanDerWaalsContact O-N 3.11Å; D89-G92 PolarHBondContact OD1-N 2.98Å; D89-G92 VanDerWaalsContact OD1-N 3.1Å; D89-L93 PolarHBondContact N-O 3.04Å; D89-L93 WeakPolarHBondContact OD1-CB 3.5Å; D89-L93 PolarHBondContact OD1-N 3.32Å; D89-L93 VanDerWaalsContact OD2-CB 3.28Å; D89-L93 WeakPolarHBondContact OD2-CB 3.39Å
90Q90.7Very high93.1Very high77 Ų7740.3 Ų40.336%0.3618%0.183SC..THydrogen-bonded Turntrans-61.5-24.6-179.776.2-167.6-16.300114.1D71 D72 Q74 G92 S116D71-Q90 HydrophobicContact CB-CG 3.75Å; D71-Q90 PolarHBondContact OD1-NE2 2.68Å; D72-Q90 PolarHBondContact O-N 3.42Å; Q74-Q90 HydrophobicContact CG-CB 4.36Å; Q90-G92 VanDerWaalsContact C-N 3.31Å; Q90-S116 VanDerWaalsContact O-CB 3.27Å; Q90-S116 WeakPolarHBondContact O-CB 3.37Å
91N89.6Confident93.1Very high87 Ų8747.5 Ų47.547%0.46521%0.213SC..THydrogen-bonded Turntrans-87.6-4.9179.7-73.3-25.6000112.4D71 D89D71-N91 PolarHBondContact OD1-ND2 2.86Å; D71-N91 PolarHBondContact OD2-ND2 2.94Å; D89-N91 PolarHBondContact O-N 3.16Å; D89-N91 PolarHBondContact OD1-N 3.16Å
92G89Confident92.9Very high1 Ų145.1 Ų45.11%0.0122%0.218CC..  trans851817800000113.9D89 Q90D89-G92 PolarHBondContact O-N 3.1Å; D89-G92 VanDerWaalsContact O-N 3.11Å; D89-G92 PolarHBondContact OD1-N 2.98Å; D89-G92 VanDerWaalsContact OD1-N 3.1Å; Q90-G92 VanDerWaalsContact C-N 3.31Å
93L94.2Very high92.9Very high24 Ų2442.1 Ų42.113%0.12621%0.209CC..EExtended strand (participates in β ladder)trans-71.3130.1164.7178.567.2000108.2H69 S88 D89 I95 I109 N111H69-L93 PolarHBondContact CE1-O 3.45Å; S88-L93 WeakPolarHBondContact CA-O 3.45Å; S88-L93 WeakPolarHBondContact CB-O 3.49Å; D89-L93 PolarHBondContact N-O 3.04Å; D89-L93 WeakPolarHBondContact OD1-CB 3.5Å; D89-L93 PolarHBondContact OD1-N 3.32Å; D89-L93 VanDerWaalsContact OD2-CB 3.28Å; D89-L93 WeakPolarHBondContact OD2-CB 3.39Å; L93-I95 HydrophobicContact CD2-CD1 4.14Å; L93-I95 HydrophobicContact CD2-CG1 4.38Å; L93-I95 HydrophobicContact CG-CD1 4.48Å; L93-I95 HydrophobicContact CG-CG1 4.18Å; L93-I109 HydrophobicContact CD1-CG2 3.45Å; L93-I109 VanDerWaalsContact CD1-CG2 3.45Å; L93-N111 HydrophobicContact CD1-CB 3.8Å
94I95.2Very high93.1Very high6 Ų635.9 Ų35.93%0.03119%0.185CC..EExtended strand (participates in β ladder)trans-116.5130.5176.7-56.6173.5000107.8T86 S87 I109 N110 V117 M120 I132T86-I94 HydrophobicContact CG2-CG2 3.48Å; T86-I94 VanDerWaalsContact CG2-CG2 3.48Å; S87-I94 CarbonylContact O-C 3.51Å; S87-I94 VanDerWaalsContact O-CA 3.29Å; S87-I94 WeakPolarHBondContact O-CA 3.31Å; I94-I109 CarbonylContact O-C 3.49Å; I94-I109 WeakPolarHBondContact O-CA 3.44Å; I94-N110 HydrophobicContact CB-CB 4.38Å; I94-N110 PolarHBondContact N-O 3.26Å; I94-N110 PolarHBondContact O-N 3.43Å; I94-V117 HydrophobicContact CD1-CG2 3.79Å; I94-V117 HydrophobicContact CG1-CG2 3.9Å; I94-M120 HydrophobicContact CD1-SD 4.22Å; I94-M120 HydrophobicContact CG1-SD 4.47Å; I94-M120 HydrophobicContact CG2-SD 4.2Å; I94-I132 HydrophobicContact CD1-CD1 3.95Å; I94-I132 HydrophobicContact CD1-CG2 3.89Å
95I95.8Very high93Very high1 Ų140.6 Ų40.61%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-122.9129.5175.5-52.5179000108.8T86 S87 L93 W97 E106 M108 I109T86-I95 WeakPolarHBondContact CA-O 3.26Å; S87-I95 PolarHBondContact N-O 3.46Å; S87-I95 PolarHBondContact O-N 3.37Å; L93-I95 HydrophobicContact CD2-CD1 4.14Å; L93-I95 HydrophobicContact CD2-CG1 4.38Å; L93-I95 HydrophobicContact CG-CD1 4.48Å; L93-I95 HydrophobicContact CG-CG1 4.18Å; I95-W97 HydrophobicContact CB-CZ2 3.94Å; I95-W97 HydrophobicContact CD1-CH2 4.45Å; I95-W97 HydrophobicContact CD1-CZ2 3.95Å; I95-W97 HydrophobicContact CG2-CD2 3.98Å; I95-W97 VanDerWaalsContact CG2-CE2 3.45Å; I95-W97 HydrophobicContact CG2-CG 4.49Å; I95-W97 HydrophobicContact CG2-CH2 4.07Å; I95-W97 HydrophobicContact CG2-CZ2 3.51Å; I95-E106 HydrophobicContact CG2-CB 4.4Å; I95-E106 HydrophobicContact CG2-CG 4.04Å; I95-M108 WeakPolarHBondContact CA-O 3.33Å; I95-I109 HydrophobicContact CG1-CG1 4.35Å; I95-I109 HydrophobicContact CG2-CG1 4.32Å
96V96.1Very high93Very high24 Ų2444.8 Ų44.815%0.14522%0.223CC..EExtended strand (participates in β ladder)trans-99.6126.9171.3-175.60000108.1K84 I85 T86 E107 M108K84-V96 HydrophobicContact CB-CG1 4.28Å; K84-V96 HydrophobicContact CD-CG1 4.01Å; I85-V96 CarbonylContact O-C 3.57Å; I85-V96 WeakPolarHBondContact O-CA 3.22Å; T86-V96 HydrophobicContact CG2-CG2 4.12Å; V96-E107 PolarHBondContact O-N 3.5Å; V96-M108 HydrophobicContact CB-CB 4.01Å; V96-M108 HydrophobicContact CG2-CB 4.11Å; V96-M108 PolarHBondContact N-O 3.26Å; V96-M108 PolarHBondContact O-N 3.39Å
97W96.1Very high92.8Very high6 Ų648 Ų482%0.02324%0.237CC..EExtended strand (participates in β ladder)trans-110.6139.2-178.9-48.383.4000110.5L38 L66 E67 K84 I85 S87 I95 W104 Y105 E106L38-W97 HydrophobicContact CD2-CZ2 3.7Å; L66-W97 HydrophobicContact CB-CD2 4.41Å; L66-W97 HydrophobicContact CB-CE3 4.1Å; L66-W97 HydrophobicContact CB-CH2 3.66Å; L66-W97 HydrophobicContact CB-CZ2 3.96Å; L66-W97 HydrophobicContact CB-CZ3 3.71Å; L66-W97 HydrophobicContact CD1-CD2 3.68Å; L66-W97 HydrophobicContact CD1-CE3 3.83Å; L66-W97 HydrophobicContact CD1-CG 4Å; L66-W97 HydrophobicContact CD1-CZ3 4.33Å; L66-W97 HydrophobicContact CD2-CE3 4.28Å; L66-W97 HydrophobicContact CD2-CZ3 4.39Å; L66-W97 HydrophobicContact CG-CE3 4.28Å; L66-W97 HydrophobicContact CG-CZ3 4.34Å; E67-W97 WeakPolarHBondContact O-CH2 3.46Å; K84-W97 CarbonylContact C-O 3.58Å; K84-W97 VanDerWaalsContact CA-O 3.22Å; K84-W97 WeakPolarHBondContact CA-O 3.36Å; K84-W97 WeakPolarHBondContact CB-O 3.45Å; I85-W97 HydrophobicContact CB-CB 4.16Å; I85-W97 HydrophobicContact CB-CG 4.48Å; I85-W97 PolarHBondContact N-O 3.29Å; I85-W97 PolarHBondContact O-N 3.16Å; S87-W97 PolarHBondContact OG-NE1 3.16Å; I95-W97 HydrophobicContact CB-CZ2 3.94Å; I95-W97 HydrophobicContact CD1-CH2 4.45Å; I95-W97 HydrophobicContact CD1-CZ2 3.95Å; I95-W97 HydrophobicContact CG2-CD2 3.98Å; I95-W97 VanDerWaalsContact CG2-CE2 3.45Å; I95-W97 HydrophobicContact CG2-CG 4.49Å; I95-W97 HydrophobicContact CG2-CH2 4.07Å; I95-W97 HydrophobicContact CG2-CZ2 3.51Å; W97-W104 HydrophobicContact CB-CE3 4.1Å; W97-Y105 CarbonylContact C-O 3.45Å; W97-Y105 WeakPolarHBondContact CA-O 3.27Å; W97-E106 HydrophobicContact CE3-CG 3.78Å; W97-E106 HydrophobicContact CH2-CG 3.6Å; W97-E106 HydrophobicContact CZ2-CG 4.46Å; W97-E106 HydrophobicContact CZ3-CB 4.36Å; W97-E106 HydrophobicContact CZ3-CG 3.22Å
98M94.1Very high92.6Very high64 Ų6451.1 Ų51.132%0.31525%0.253SS..EExtended strand (participates in β ladder)trans-119.9144.717667.5176.3-6700111.3W104 Y105 E107M98-W104 CarbonylContact O-C 3.59Å; M98-W104 WeakPolarHBondContact O-CA 3.45Å; M98-Y105 PolarHBondContact N-O 3.45Å; M98-Y105 PolarHBondContact O-N 3.02Å; M98-E107 HydrophobicContact CB-CB 4.22Å; M98-E107 HydrophobicContact CG-CB 3.99Å; M98-E107 HydrophobicContact CG-CG 4.4Å; M98-E107 HydrophobicContact SD-CB 4.07Å; M98-E107 HydrophobicContact SD-CG 3.88Å
99L92.1Very high92.5Very high45 Ų4555.9 Ų55.924%0.23628%0.277CS..EExtended strand (participates in β ladder)trans-83.7115.4172.9-174.871.5000110W104L99-W104 HydrophobicContact CB-CD2 4.24Å; L99-W104 HydrophobicContact CB-CE3 4.14Å; L99-W104 HydrophobicContact CB-CH2 3.99Å; L99-W104 HydrophobicContact CB-CZ2 4.11Å; L99-W104 HydrophobicContact CB-CZ3 4.01Å; L99-W104 HydrophobicContact CD1-CD2 4.11Å; L99-W104 HydrophobicContact CD1-CG 4.22Å; L99-W104 HydrophobicContact CD1-CZ2 4.26Å
100Y88.8Confident92.4Very high124 Ų12459.8 Ų59.849%0.48630%0.298SS..EExtended strand (participates in β ladder)trans-129.4127.6177.4-176.1-112000110.6G102 A103 Y105Y100-G102 PolarHBondContact O-N 2.97Å; Y100-A103 PolarHBondContact N-O 3.12Å; Y100-A103 PolarHBondContact O-N 2.7Å; Y100-Y105 HydrophobicContact CD1-CE2 4.33Å; Y100-Y105 WeakPolarHBondContact O-CE2 3.37Å
101K88.8Confident92.2Very high181 Ų18159.3 Ų59.379%0.78730%0.298SS*.THydrogen-bonded Turntrans48.635.6180-63.5-177.1175.6178.80114.6
102G86.4Confident91.8Very high50 Ų5058 Ų5852%0.51529%0.286SS..THydrogen-bonded Turntrans85.14.2176.500000115.9M62 Y100M62-G102 WeakPolarHBondContact CE-O 3.49Å; Y100-G102 PolarHBondContact O-N 2.97Å
103A91.4Very high91.4Very high24 Ų2464.1 Ų64.120%0.19832%0.319CS..EExtended strand (participates in β ladder)trans-128.5153.3172.400000110.9Y100 Y105Y100-A103 PolarHBondContact N-O 3.12Å; Y100-A103 PolarHBondContact O-N 2.7Å; A103-Y105 HydrophobicContact CB-CE2 3.74Å; A103-Y105 VanDerWaalsContact O-CD2 3.25Å; A103-Y105 WeakPolarHBondContact O-CD2 2.99Å; A103-Y105 WeakPolarHBondContact O-CE2 3.45Å
104W94Very high91Very high6 Ų669 Ų692%0.02334%0.339CS..EExtended strand (participates in β ladder)trans-85.7135177.4-68.292.7000110.8Y28 Q64 L66 W78 R83 I85 W97 M98 L99Y28-W104 HydrophobicContact CD2-CZ2 4.29Å; Y28-W104 HydrophobicContact CE2-CZ2 4.49Å; Y28-W104 HydrophobicContact CG-CZ2 4.39Å; Q64-W104 PolarHBondContact NE2-O 2.97Å; L66-W104 HydrophobicContact CD1-CB 4.29Å; L66-W104 HydrophobicContact CD2-CB 3.62Å; W78-W104 HydrophobicContact CE3-CH2 4.45Å; W78-W104 HydrophobicContact CH2-CH2 4.34Å; W78-W104 HydrophobicContact CH2-CZ2 4.02Å; W78-W104 AromaticContact CZ3-CH2 3.57Å; W78-W104 HydrophobicContact CZ3-CH2 3.57Å; W78-W104 AromaticContact CZ3-CZ2 3.63Å; W78-W104 HydrophobicContact CZ3-CZ2 3.63Å; W78-W104 HydrophobicContact CZ3-CZ3 4.48Å; R83-W104 WeakPolarHBondContact O-CH2 3.22Å; R83-W104 VanDerWaalsContact O-CZ3 3.28Å; R83-W104 WeakPolarHBondContact O-CZ3 3.41Å; I85-W104 HydrophobicContact CB-CZ3 4.46Å; I85-W104 HydrophobicContact CD1-CD2 3.76Å; I85-W104 HydrophobicContact CD1-CE3 3.63Å; I85-W104 HydrophobicContact CD1-CH2 3.8Å; I85-W104 HydrophobicContact CD1-CZ2 3.91Å; I85-W104 HydrophobicContact CD1-CZ3 3.65Å; I85-W104 HydrophobicContact CG1-CE3 4.08Å; I85-W104 HydrophobicContact CG1-CH2 3.83Å; I85-W104 HydrophobicContact CG1-CZ2 4.4Å; I85-W104 HydrophobicContact CG1-CZ3 3.64Å; W97-W104 HydrophobicContact CB-CE3 4.1Å; M98-W104 CarbonylContact O-C 3.59Å; M98-W104 WeakPolarHBondContact O-CA 3.45Å; L99-W104 HydrophobicContact CB-CD2 4.24Å; L99-W104 HydrophobicContact CB-CE3 4.14Å; L99-W104 HydrophobicContact CB-CH2 3.99Å; L99-W104 HydrophobicContact CB-CZ2 4.11Å; L99-W104 HydrophobicContact CB-CZ3 4.01Å; L99-W104 HydrophobicContact CD1-CD2 4.11Å; L99-W104 HydrophobicContact CD1-CG 4.22Å; L99-W104 HydrophobicContact CD1-CZ2 4.26Å
105Y93Very high90.7Very high123 Ų12369.4 Ų69.448%0.48234%0.342SS..EExtended strand (participates in β ladder)trans-132.6153.7-179.8-64.8-90.6000111.1W97 M98 Y100 A103 E107W97-Y105 CarbonylContact C-O 3.45Å; W97-Y105 WeakPolarHBondContact CA-O 3.27Å; M98-Y105 PolarHBondContact N-O 3.45Å; M98-Y105 PolarHBondContact O-N 3.02Å; Y100-Y105 HydrophobicContact CD1-CE2 4.33Å; Y100-Y105 WeakPolarHBondContact O-CE2 3.37Å; A103-Y105 HydrophobicContact CB-CE2 3.74Å; A103-Y105 VanDerWaalsContact O-CD2 3.25Å; A103-Y105 WeakPolarHBondContact O-CD2 2.99Å; A103-Y105 WeakPolarHBondContact O-CE2 3.45Å; Y105-E107 PolarHBondContact O-N 3.45Å
106E94.9Very high90.5Very high87 Ų8770.4 Ų70.441%0.40735%0.349SS..EExtended strand (participates in β ladder)trans-65.3127.6170.5-59.4-176.4153.100110.4E67 G68 I95 W97E67-E106 VanDerWaalsContact O-OE1 3.06Å; G68-E106 WeakPolarHBondContact CA-OE1 3.11Å; I95-E106 HydrophobicContact CG2-CB 4.4Å; I95-E106 HydrophobicContact CG2-CG 4.04Å; W97-E106 HydrophobicContact CE3-CG 3.78Å; W97-E106 HydrophobicContact CH2-CG 3.6Å; W97-E106 HydrophobicContact CZ2-CG 4.46Å; W97-E106 HydrophobicContact CZ3-CB 4.36Å; W97-E106 HydrophobicContact CZ3-CG 3.22Å
107E93.2Very high90.4Very high77 Ų7769.4 Ų69.436%0.3634%0.343SS..EExtended strand (participates in β ladder)trans-107.6-48.7175.9-171.5-170.4178.800111K84 V96 M98 Y105K84-E107 VanDerWaalsContact CD-OE2 3.25Å; K84-E107 WeakPolarHBondContact CD-OE2 3.48Å; K84-E107 WeakPolarHBondContact CE-OE2 3.46Å; K84-E107 IonicContact NZ-OE1 3.22Å; K84-E107 PolarHBondContact NZ-OE1 3.47Å; K84-E107 IonicContact NZ-OE2 2.94Å; K84-E107 PolarHBondContact NZ-OE2 3.35Å; V96-E107 PolarHBondContact O-N 3.5Å; M98-E107 HydrophobicContact CB-CB 4.22Å; M98-E107 HydrophobicContact CG-CB 3.99Å; M98-E107 HydrophobicContact CG-CG 4.4Å; M98-E107 HydrophobicContact SD-CB 4.07Å; M98-E107 HydrophobicContact SD-CG 3.88Å; Y105-E107 PolarHBondContact O-N 3.45Å
108M92.9Very high90.2Very high66 Ų6673 Ų7333%0.32536%0.359SS..EExtended strand (participates in β ladder)trans-139.9145.2-176.4-56.2-177.368.200110.7I95 V96 G146I95-M108 WeakPolarHBondContact CA-O 3.33Å; V96-M108 HydrophobicContact CB-CB 4.01Å; V96-M108 HydrophobicContact CG2-CB 4.11Å; V96-M108 PolarHBondContact N-O 3.26Å; V96-M108 PolarHBondContact O-N 3.39Å; M108-G146 VanDerWaalsContact CE-CA 3.41Å
109I92.7Very high90.3Very high100 Ų10071.2 Ų71.251%0.51335%0.351SS..EExtended strand (participates in β ladder)trans-128.3134.5176-59.4176.5000108.2L93 I94 I95L93-I109 HydrophobicContact CD1-CG2 3.45Å; L93-I109 VanDerWaalsContact CD1-CG2 3.45Å; I94-I109 CarbonylContact O-C 3.49Å; I94-I109 WeakPolarHBondContact O-CA 3.44Å; I95-I109 HydrophobicContact CG1-CG1 4.35Å; I95-I109 HydrophobicContact CG2-CG1 4.32Å
110N91.2Very high90.4Very high83 Ų8369.1 Ų69.144%0.44434%0.34SS..EExtended strand (participates in β ladder)trans-131.4126.8172.8-173.6-3.3000109.3I94I94-N110 HydrophobicContact CB-CB 4.38Å; I94-N110 PolarHBondContact N-O 3.26Å; I94-N110 PolarHBondContact O-N 3.43Å
111N86.8Confident90.7Very high66 Ų6665.1 Ų65.135%0.35333%0.325SS..EExtended strand (participates in β ladder)trans-131.5115.5175.6-171.4-9.2000110L93 N113L93-N111 HydrophobicContact CD1-CB 3.8Å; N111-N113 PolarHBondContact ND2-OD1 3.2Å; N111-N113 VanDerWaalsContact OD1-CG 3.23Å; N111-N113 PolarHBondContact OD1-N 3.41Å; N111-N113 PolarHBondContact OD1-OD1 2.69Å
112R81.7Confident91Very high60 Ų6057.2 Ų57.223%0.22629%0.292CS..  trans-85-20.1179.7-167177.1168.6-133-5.1112.6K114 Y134 D136R112-K114 HydrophobicContact CG-CB 4.07Å; R112-K114 PolarHBondContact O-N 3.39Å; R112-Y134 HydrophobicContact CB-CE1 4.24Å; R112-D136 IonicContact CZ-OD1 3.04Å; R112-D136 IonicContact CZ-OD2 3.67Å; R112-D136 VanDerWaalsContact CZ-OD2 3.3Å; R112-D136 VanDerWaalsContact NH1-CG 3.33Å; R112-D136 IonicContact NH1-OD1 3.8Å; R112-D136 PolarHBondContact NH1-OD1 3.38Å; R112-D136 IonicContact NH1-OD2 2.82Å; R112-D136 PolarHBondContact NH1-OD2 3.4Å; R112-D136 VanDerWaalsContact NH1-OD2 3.09Å; R112-D136 IonicContact NH2-OD1 2.72Å; R112-D136 IonicContact NH2-OD2 3.55Å; R112-D136 PolarHBondContact NH2-OD2 3.16Å
113N80.5Confident91.1Very high130 Ų13055.4 Ų55.470%0.69527%0.27SS*.SBendtrans45.628.7-177.3-69.6-45.8000114.8N111N111-N113 PolarHBondContact ND2-OD1 3.2Å; N111-N113 VanDerWaalsContact OD1-CG 3.23Å; N111-N113 PolarHBondContact OD1-N 3.41Å; N111-N113 PolarHBondContact OD1-OD1 2.69Å
114K84.5Confident90.7Very high127 Ų12757 Ų5755%0.55227%0.272SS*.SBendtrans-125.8-38.6-174.3-173.9178.1168.8-170.50112.9R112 D136 E153R112-K114 HydrophobicContact CG-CB 4.07Å; R112-K114 PolarHBondContact O-N 3.39Å; K114-D136 WeakPolarHBondContact CE-OD2 3.33Å; K114-D136 IonicContact NZ-OD2 2.81Å; K114-E153 IonicContact NZ-OE1 3.05Å; K114-E153 PolarHBondContact NZ-OE1 2.64Å
115S89.5Confident90.1Very high14 Ų1460.6 Ų60.610%0.09830%0.295CS..SBendtrans-154.3150.2-174.11790000109.9E135 D136S115-E135 PolarHBondContact OG-N 3.02Å; S115-D136 VanDerWaalsContact CB-CG 3.49Å; S115-D136 PolarHBondContact OG-N 3.27Å; S115-D136 VanDerWaalsContact OG-N 3.09Å
116S91.4Very high89.9Confident21 Ų2157.1 Ų57.115%0.14729%0.285CS..  trans-65.6146.7169.673.80000110.7Q90 K118 Y134 E135Q90-S116 VanDerWaalsContact O-CB 3.27Å; Q90-S116 WeakPolarHBondContact O-CB 3.37Å; S116-K118 WeakPolarHBondContact OG-CE 3.37Å; S116-Y134 WeakPolarHBondContact O-CA 3.44Å; S116-E135 PolarHBondContact O-N 3.44Å; S116-E135 VanDerWaalsContact O-N 3.09Å; S116-E135 PolarHBondContact OG-OE2 3.04Å
117V93.9Very high89.7Confident4 Ų453.1 Ų53.12%0.02427%0.267CS..EExtended strand (participates in β ladder)trans-84127.5170.3176.60000107.5I94 M120 I132 Y134I94-V117 HydrophobicContact CD1-CG2 3.79Å; I94-V117 HydrophobicContact CG1-CG2 3.9Å; V117-M120 HydrophobicContact CG1-CE 4.42Å; V117-M120 HydrophobicContact CG1-CG 3.63Å; V117-M120 HydrophobicContact CG1-SD 4.06Å; V117-I132 HydrophobicContact CG1-CG2 4.02Å; V117-I132 HydrophobicContact CG2-CG2 4.28Å; V117-Y134 HydrophobicContact CG2-CD1 3.91Å; V117-Y134 HydrophobicContact CG2-CE1 3.52Å
118K93.2Very high89.7Confident81 Ų8154.3 Ų54.335%0.35227%0.272SS..EExtended strand (participates in β ladder)trans-97.1-37.3-178.6-70.4-67-176.1-177.60113.1S116 V133 E135 L159S116-K118 WeakPolarHBondContact OG-CE 3.37Å; K118-V133 PolarHBondContact N-O 3.45Å; K118-E135 HydrophobicContact CD-CB 4.4Å; K118-E135 VanDerWaalsContact CE-CB 3.48Å; K118-E135 VanDerWaalsContact CE-CG 3.41Å; K118-E135 WeakPolarHBondContact CE-OE1 3.45Å; K118-E135 VanDerWaalsContact CE-OE2 3.29Å; K118-E135 WeakPolarHBondContact CE-OE2 3.48Å; K118-E135 HydrophobicContact CG-CB 3.94Å; K118-E135 IonicContact NZ-OE1 3.09Å; K118-E135 PolarHBondContact NZ-OE1 3.3Å; K118-E135 IonicContact NZ-OE2 2.75Å; K118-E135 PolarHBondContact NZ-OE2 3.38Å; K118-L159 WeakPolarHBondContact CG-O 3.41Å
119D94.6Very high89.7Confident27 Ų2755.2 Ų55.214%0.14427%0.272CS..EExtended strand (participates in β ladder)trans-157.4158.8178.4-1658.9000110.2V133 S161 V162D119-V133 HydrophobicContact CB-CG2 3.62Å; D119-V133 VanDerWaalsContact O-CG2 3.26Å; D119-V133 WeakPolarHBondContact O-CG2 3.49Å; D119-V133 PolarHBondContact O-N 3.47Å; D119-S161 WeakPolarHBondContact OD2-CA 3.49Å; D119-V162 HydrophobicContact CB-CG1 4.2Å; D119-V162 PolarHBondContact OD2-N 2.73Å
120M95.6Very high89.9Confident0 Ų051.6 Ų51.60%025%0.253CS..EExtended strand (participates in β ladder)trans-145.1140.3177.2-62.6-175.1-76.500109.4V75 I77 T86 S88 I94 V117 C131 I132V75-M120 HydrophobicContact CB-CE 3.83Å; V75-M120 HydrophobicContact CG1-CB 4.25Å; V75-M120 HydrophobicContact CG1-CE 3.66Å; V75-M120 HydrophobicContact CG1-CG 4.41Å; I77-M120 HydrophobicContact CD1-CB 3.67Å; I77-M120 VanDerWaalsContact CG2-O 3.32Å; I77-M120 WeakPolarHBondContact CG2-O 3.26Å; T86-M120 HydrophobicContact CG2-CE 4.16Å; T86-M120 HydrophobicContact CG2-SD 3.99Å; S88-M120 WeakPolarHBondContact OG-CE 3.37Å; I94-M120 HydrophobicContact CD1-SD 4.22Å; I94-M120 HydrophobicContact CG1-SD 4.47Å; I94-M120 HydrophobicContact CG2-SD 4.2Å; V117-M120 HydrophobicContact CG1-CE 4.42Å; V117-M120 HydrophobicContact CG1-CG 3.63Å; V117-M120 HydrophobicContact CG1-SD 4.06Å; M120-C131 CarbonylContact C-O 3.56Å; M120-C131 VanDerWaalsContact CA-O 3.24Å; M120-C131 WeakPolarHBondContact CA-O 3.45Å; M120-I132 HydrophobicContact CG-CB 4.36Å; M120-I132 HydrophobicContact CG-CG1 4.12Å; M120-I132 HydrophobicContact CG-CG2 4.07Å; M120-I132 HydrophobicContact SD-CG1 4.26Å; M120-I132 HydrophobicContact SD-CG2 4.45Å
121K94.8Very high90.1Very high41 Ų4147.6 Ų47.618%0.17823%0.232CC..EExtended strand (participates in β ladder)trans-140.7130.6175.4-63.8-69.5171.7139.90112.6I130 C131 V162 E163 W164K121-I130 CarbonylContact O-C 3.57Å; K121-I130 WeakPolarHBondContact O-CA 3.27Å; K121-C131 PolarHBondContact N-O 2.87Å; K121-C131 PolarHBondContact O-N 3.3Å; K121-V162 HydrophobicContact CB-CG1 4.24Å; K121-V162 WeakPolarHBondContact CE-O 3Å; K121-V162 HydrophobicContact CG-CG1 3.81Å; K121-V162 WeakPolarHBondContact CG-O 3.37Å; K121-E163 WeakPolarHBondContact CD-OE2 3.24Å; K121-E163 WeakPolarHBondContact CE-OE2 3.26Å; K121-E163 IonicContact NZ-OE2 3.78Å; K121-E163 PolarHBondContact NZ-OE2 3.32Å; K121-W164 PolarHBondContact O-NE1 3.27Å
122V93.8Very high90.5Very high15 Ų1545.1 Ų45.19%0.09122%0.219CC..EExtended strand (participates in β ladder)trans-86.3136.7169.9178.20000109.2I77 N79 F124 R129 I130I77-V122 HydrophobicContact CD1-CG2 3.73Å; N79-V122 HydrophobicContact CB-CG1 4.29Å; N79-V122 HydrophobicContact CB-CG2 4.28Å; V122-F124 PolarHBondContact O-N 3.29Å; V122-R129 WeakPolarHBondContact CA-O 3.36Å; V122-I130 HydrophobicContact CG2-CB 4.27Å; V122-I130 HydrophobicContact CG2-CD1 4.3Å; V122-I130 HydrophobicContact CG2-CG1 4.11Å
123I90.5Very high91.1Very high11 Ų1142.3 Ų42.36%0.05621%0.208CC..  trans-60.6128.5172.5-172171.5000109.7D126 G127 R129 W164I123-D126 WeakPolarHBondContact CG2-OD1 3.39Å; I123-G127 VanDerWaalsContact O-CA 3.29Å; I123-G127 WeakPolarHBondContact O-CA 3.2Å; I123-G127 PolarHBondContact O-N 2.97Å; I123-G127 VanDerWaalsContact O-N 3.15Å; I123-R129 HydrophobicContact CB-CB 4.41Å; I123-R129 HydrophobicContact CG2-CB 3.84Å; I123-R129 HydrophobicContact CG2-CG 4.41Å; I123-R129 WeakPolarHBondContact CG2-O 3.49Å; I123-R129 PolarHBondContact N-O 2.87Å; I123-W164 HydrophobicContact CB-CD2 4.42Å
124F82Confident91.8Very high57 Ų5736.2 Ų36.225%0.2518%0.175CC..THydrogen-bonded Turntrans-71.5-36.2-172.3176.8-106.4000113.7V122 K214 E216V122-F124 PolarHBondContact O-N 3.29Å; F124-K214 HydrophobicContact CB-CB 4.19Å; F124-K214 HydrophobicContact CB-CD 3.66Å; F124-K214 HydrophobicContact CB-CG 3.83Å; F124-K214 HydrophobicContact CD1-CB 3.63Å; F124-K214 HydrophobicContact CD1-CG 4.24Å; F124-K214 HydrophobicContact CD2-CB 3.96Å; F124-K214 HydrophobicContact CD2-CD 3.67Å; F124-K214 HydrophobicContact CD2-CG 4.19Å; F124-K214 HydrophobicContact CE1-CB 3.91Å; F124-K214 HydrophobicContact CE2-CB 4.22Å; F124-K214 HydrophobicContact CE2-CD 4.47Å; F124-K214 HydrophobicContact CG-CB 3.64Å; F124-K214 HydrophobicContact CG-CD 3.71Å; F124-K214 HydrophobicContact CG-CG 3.82Å; F124-K214 HydrophobicContact CZ-CB 4.2Å; F124-E216 HydrophobicContact CE1-CG 4.32Å; F124-E216 HydrophobicContact CZ-CG 4.02Å
125V81.4Confident92.1Very high82 Ų8234 Ų3450%0.49717%0.167SC..THydrogen-bonded Turntrans-60.7-53.7-168.4-177.80000112P166V125-P166 WeakPolarHBondContact CG2-O 3.19Å
126D88.2Confident92.2Very high51 Ų5136 Ų3627%0.27318%0.177SC..THydrogen-bonded Turntrans-122-11-174.464.95.2000113.7F82 I123 Q128F82-D126 WeakPolarHBondContact CE2-O 3.2Å; I123-D126 WeakPolarHBondContact CG2-OD1 3.39Å; D126-Q128 HydrophobicContact CB-CG 4Å; D126-Q128 PolarHBondContact O-N 2.95Å; D126-Q128 PolarHBondContact OD1-N 3.35Å
127G90.7Very high92.2Very high2 Ų235.1 Ų35.12%0.02117%0.171CC..SBendtrans65.711.5-175.300000114.8N79 I123N79-G127 PolarHBondContact ND2-O 3.38Å; I123-G127 VanDerWaalsContact O-CA 3.29Å; I123-G127 WeakPolarHBondContact O-CA 3.2Å; I123-G127 PolarHBondContact O-N 2.97Å; I123-G127 VanDerWaalsContact O-N 3.15Å
128Q93.6Very high92.2Very high102 Ų10235.1 Ų35.148%0.47717%0.171SC..  trans-82.5-18.5-171.8-69.4-1727.300113.9F82 D126 S143 V144F82-Q128 HydrophobicContact CE2-CG 4.31Å; F82-Q128 HydrophobicContact CZ-CG 4.37Å; D126-Q128 HydrophobicContact CB-CG 4Å; D126-Q128 PolarHBondContact O-N 2.95Å; D126-Q128 PolarHBondContact OD1-N 3.35Å; Q128-S143 CarbonylContact O-C 3.54Å; Q128-S143 VanDerWaalsContact O-CA 3.27Å; Q128-S143 WeakPolarHBondContact O-CA 3.33Å; Q128-V144 PolarHBondContact O-N 3.23Å
129R94Very high92.2Very high85 Ų8531.3 Ų31.332%0.32116%0.155SC..EExtended strand (participates in β ladder)trans-124.8144.1-175.2-52.7-177.4-171.3170.93.9111.3V122 I123 V141 G142 I149 W164V122-R129 WeakPolarHBondContact CA-O 3.36Å; I123-R129 HydrophobicContact CB-CB 4.41Å; I123-R129 HydrophobicContact CG2-CB 3.84Å; I123-R129 HydrophobicContact CG2-CG 4.41Å; I123-R129 WeakPolarHBondContact CG2-O 3.49Å; I123-R129 PolarHBondContact N-O 2.87Å; R129-V141 HydrophobicContact CB-CG1 4.31Å; R129-G142 CarbonylContact C-O 3.57Å; R129-G142 VanDerWaalsContact CA-O 3.28Å; R129-G142 WeakPolarHBondContact CA-O 3.24Å; R129-I149 HydrophobicContact CB-CD1 4.41Å; R129-I149 HydrophobicContact CG-CD1 3.7Å; R129-W164 HydrophobicContact CB-CZ2 4.48Å
130I95.1Very high92.2Very high24 Ų2431.4 Ų31.412%0.12316%0.155CC..EExtended strand (participates in β ladder)trans-125134.1171.8-173.8176.3000108.7I77 T86 K121 V122 I132 V141 G142I77-I130 HydrophobicContact CD1-CD1 3.67Å; I77-I130 HydrophobicContact CD1-CG1 4.17Å; T86-I130 HydrophobicContact CG2-CD1 4.15Å; K121-I130 CarbonylContact O-C 3.57Å; K121-I130 WeakPolarHBondContact O-CA 3.27Å; V122-I130 HydrophobicContact CG2-CB 4.27Å; V122-I130 HydrophobicContact CG2-CD1 4.3Å; V122-I130 HydrophobicContact CG2-CG1 4.11Å; I130-I132 HydrophobicContact CD1-CG1 4.27Å; I130-I132 HydrophobicContact CG1-CG1 4.23Å; I130-V141 CarbonylContact O-C 3.44Å; I130-V141 VanDerWaalsContact O-CA 3.25Å; I130-V141 WeakPolarHBondContact O-CA 3.36Å; I130-G142 PolarHBondContact N-O 3.2Å; I130-G142 PolarHBondContact O-N 3.39Å
131C95.8Very high92.2Very high0 Ų031.5 Ų31.50%016%0.155CC..EExtended strand (participates in β ladder)trans-101.4133.9167.6-169.10000109.1M120 K121 I140 V141 V162 W164 L171M120-C131 CarbonylContact C-O 3.56Å; M120-C131 VanDerWaalsContact CA-O 3.24Å; M120-C131 WeakPolarHBondContact CA-O 3.45Å; K121-C131 PolarHBondContact N-O 2.87Å; K121-C131 PolarHBondContact O-N 3.3Å; C131-I140 CarbonylContact C-O 3.56Å; C131-I140 WeakPolarHBondContact CA-O 3.41Å; C131-V141 HydrophobicContact CB-CG2 3.91Å; C131-V162 HydrophobicContact CB-CG2 4.22Å; C131-W164 HydrophobicContact CB-CZ2 3.83Å; C131-L171 HydrophobicContact CB-CD2 4.13Å
132I95.4Very high92.1Very high14 Ų1430 Ų307%0.07215%0.152CC..EExtended strand (participates in β ladder)trans-123.9126.9-179.5-57.2164.9000107.2I94 V117 M120 I130 Y134 A139 I140I94-I132 HydrophobicContact CD1-CD1 3.95Å; I94-I132 HydrophobicContact CD1-CG2 3.89Å; V117-I132 HydrophobicContact CG1-CG2 4.02Å; V117-I132 HydrophobicContact CG2-CG2 4.28Å; M120-I132 HydrophobicContact CG-CB 4.36Å; M120-I132 HydrophobicContact CG-CG1 4.12Å; M120-I132 HydrophobicContact CG-CG2 4.07Å; M120-I132 HydrophobicContact SD-CG1 4.26Å; M120-I132 HydrophobicContact SD-CG2 4.45Å; I130-I132 HydrophobicContact CD1-CG1 4.27Å; I130-I132 HydrophobicContact CG1-CG1 4.23Å; I132-Y134 HydrophobicContact CB-CE2 4.38Å; I132-Y134 HydrophobicContact CG2-CD2 4.32Å; I132-Y134 HydrophobicContact CG2-CE1 4.44Å; I132-Y134 HydrophobicContact CG2-CE2 3.65Å; I132-A139 WeakPolarHBondContact O-CA 3.41Å; I132-I140 PolarHBondContact N-O 3.45Å; I132-I140 PolarHBondContact O-N 3.04Å
133V94.9Very high92.1Very high0 Ų030.3 Ų30.30%016%0.155CC..EExtended strand (participates in β ladder)trans-115.6137.2177.2-65.60000111.8K118 D119 A139 L159 V162 F173K118-V133 PolarHBondContact N-O 3.45Å; D119-V133 HydrophobicContact CB-CG2 3.62Å; D119-V133 VanDerWaalsContact O-CG2 3.26Å; D119-V133 WeakPolarHBondContact O-CG2 3.49Å; D119-V133 PolarHBondContact O-N 3.47Å; V133-A139 HydrophobicContact CG1-CB 4.22Å; V133-L159 HydrophobicContact CB-CB 4.13Å; V133-L159 HydrophobicContact CB-CD1 3.88Å; V133-L159 HydrophobicContact CG1-CD1 3.85Å; V133-V162 HydrophobicContact CG1-CB 3.79Å; V133-V162 HydrophobicContact CG1-CG1 4.07Å; V133-V162 HydrophobicContact CG1-CG2 4.29Å; V133-V162 HydrophobicContact CG2-CB 4.19Å; V133-V162 HydrophobicContact CG2-CG1 3.99Å; V133-F173 HydrophobicContact CG1-CD1 3.61Å; V133-F173 HydrophobicContact CG1-CE1 3.43Å; V133-F173 VanDerWaalsContact CG1-CE1 3.43Å
134Y94.2Very high92.2Very high2 Ų230.9 Ų30.91%0.00816%0.158CC..EExtended strand (participates in β ladder)trans-112.6149.2-178.1-63-91000110.8R112 S116 V117 I132 D136 G137 A138 I140R112-Y134 HydrophobicContact CB-CE1 4.24Å; S116-Y134 WeakPolarHBondContact O-CA 3.44Å; V117-Y134 HydrophobicContact CG2-CD1 3.91Å; V117-Y134 HydrophobicContact CG2-CE1 3.52Å; I132-Y134 HydrophobicContact CB-CE2 4.38Å; I132-Y134 HydrophobicContact CG2-CD2 4.32Å; I132-Y134 HydrophobicContact CG2-CE1 4.44Å; I132-Y134 HydrophobicContact CG2-CE2 3.65Å; Y134-D136 WeakPolarHBondContact CB-OD1 3.49Å; Y134-D136 PolarHBondContact O-N 2.95Å; Y134-G137 PolarHBondContact O-N 3.15Å; Y134-G137 VanDerWaalsContact O-N 3.12Å; Y134-A138 HydrophobicContact CD2-CB 3.99Å; Y134-A138 WeakPolarHBondContact CD2-O 3.47Å; Y134-A138 HydrophobicContact CG-CB 4.43Å; Y134-A138 PolarHBondContact N-O 3.38Å; Y134-I140 HydrophobicContact CE2-CD1 3.76Å; Y134-I140 HydrophobicContact CE2-CG1 4.05Å
135E92.2Very high92.6Very high80 Ų8033.9 Ų33.937%0.37418%0.177SC..THydrogen-bonded Turntrans-57.5-31.8178.2-171.2163.1-144.700113.8S115 S116 K118 G137 S158S115-E135 PolarHBondContact OG-N 3.02Å; S116-E135 PolarHBondContact O-N 3.44Å; S116-E135 VanDerWaalsContact O-N 3.09Å; S116-E135 PolarHBondContact OG-OE2 3.04Å; K118-E135 HydrophobicContact CD-CB 4.4Å; K118-E135 VanDerWaalsContact CE-CB 3.48Å; K118-E135 VanDerWaalsContact CE-CG 3.41Å; K118-E135 WeakPolarHBondContact CE-OE1 3.45Å; K118-E135 VanDerWaalsContact CE-OE2 3.29Å; K118-E135 WeakPolarHBondContact CE-OE2 3.48Å; K118-E135 HydrophobicContact CG-CB 3.94Å; K118-E135 IonicContact NZ-OE1 3.09Å; K118-E135 PolarHBondContact NZ-OE1 3.3Å; K118-E135 IonicContact NZ-OE2 2.75Å; K118-E135 PolarHBondContact NZ-OE2 3.38Å; E135-G137 PolarHBondContact O-N 3.03Å; E135-S158 WeakPolarHBondContact O-CA 3.29Å; E135-S158 WeakPolarHBondContact O-CB 3.37Å; E135-S158 PolarHBondContact O-OG 3.18Å
136D91.3Very high92.9Very high58 Ų5832 Ų3231%0.3117%0.174SC..THydrogen-bonded Turntrans-743.4179.273.7-21.1000114.6R112 K114 S115 Y134 A138R112-D136 IonicContact CZ-OD1 3.04Å; R112-D136 IonicContact CZ-OD2 3.67Å; R112-D136 VanDerWaalsContact CZ-OD2 3.3Å; R112-D136 VanDerWaalsContact NH1-CG 3.33Å; R112-D136 IonicContact NH1-OD1 3.8Å; R112-D136 PolarHBondContact NH1-OD1 3.38Å; R112-D136 IonicContact NH1-OD2 2.82Å; R112-D136 PolarHBondContact NH1-OD2 3.4Å; R112-D136 VanDerWaalsContact NH1-OD2 3.09Å; R112-D136 IonicContact NH2-OD1 2.72Å; R112-D136 IonicContact NH2-OD2 3.55Å; R112-D136 PolarHBondContact NH2-OD2 3.16Å; K114-D136 WeakPolarHBondContact CE-OD2 3.33Å; K114-D136 IonicContact NZ-OD2 2.81Å; S115-D136 VanDerWaalsContact CB-CG 3.49Å; S115-D136 PolarHBondContact OG-N 3.27Å; S115-D136 VanDerWaalsContact OG-N 3.09Å; Y134-D136 WeakPolarHBondContact CB-OD1 3.49Å; Y134-D136 PolarHBondContact O-N 2.95Å; D136-A138 WeakPolarHBondContact OD1-CB 3.49Å; D136-A138 PolarHBondContact OD1-N 3.49Å
137G91.2Very high93.1Very high1 Ų134.8 Ų34.81%0.0119%0.19CC..SBendtrans95.7-4.1179.800000114.1Y134 E135 L154Y134-G137 PolarHBondContact O-N 3.15Å; Y134-G137 VanDerWaalsContact O-N 3.12Å; E135-G137 PolarHBondContact O-N 3.03Å; G137-L154 WeakPolarHBondContact O-CB 3.45Å; G137-L154 PolarHBondContact O-N 3.09Å
138A92.9Very high93.2Very high5 Ų542.4 Ų42.44%0.04122%0.218CC..EExtended strand (participates in β ladder)trans-77.2135.4178.100000111.7Y134 D136 K152 E153Y134-A138 HydrophobicContact CD2-CB 3.99Å; Y134-A138 WeakPolarHBondContact CD2-O 3.47Å; Y134-A138 HydrophobicContact CG-CB 4.43Å; Y134-A138 PolarHBondContact N-O 3.38Å; D136-A138 WeakPolarHBondContact OD1-CB 3.49Å; D136-A138 PolarHBondContact OD1-N 3.49Å; A138-K152 WeakPolarHBondContact CA-O 3.5Å; A138-E153 HydrophobicContact CB-CG 4.35Å
139A94.2Very high93.2Very high0 Ų041.4 Ų41.40%022%0.215CC..EExtended strand (participates in β ladder)trans-122.1132.116900000109.2I132 V133 W150 G151 K152 L154 L159 F173I132-A139 WeakPolarHBondContact O-CA 3.41Å; V133-A139 HydrophobicContact CG1-CB 4.22Å; A139-W150 HydrophobicContact CB-CH2 4.25Å; A139-W150 HydrophobicContact CB-CZ3 4.09Å; A139-W150 WeakPolarHBondContact O-CZ3 3.39Å; A139-G151 CarbonylContact O-C 3.57Å; A139-G151 WeakPolarHBondContact O-CA 3.43Å; A139-K152 PolarHBondContact N-O 3.17Å; A139-K152 PolarHBondContact O-N 2.91Å; A139-L154 HydrophobicContact CB-CD1 4.22Å; A139-L154 HydrophobicContact CB-CG 4.47Å; A139-L159 HydrophobicContact CB-CD1 4.1Å; A139-F173 HydrophobicContact CB-CE1 3.78Å; A139-F173 HydrophobicContact CB-CZ 3.95Å
140I94.4Very high93.2Very high30 Ų3038.8 Ų38.815%0.15421%0.205CC..EExtended strand (participates in β ladder)trans-126.8129.7179.8-58.6-178.1000108.7C131 I132 Y134 R148C131-I140 CarbonylContact C-O 3.56Å; C131-I140 WeakPolarHBondContact CA-O 3.41Å; I132-I140 PolarHBondContact N-O 3.45Å; I132-I140 PolarHBondContact O-N 3.04Å; Y134-I140 HydrophobicContact CE2-CD1 3.76Å; Y134-I140 HydrophobicContact CE2-CG1 4.05Å; I140-R148 HydrophobicContact CG2-CG 4.05Å
141V95.1Very high93.1Very high1 Ų138.7 Ų38.71%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-106.6122.8167175.80000108.9R129 I130 C131 I149 W150 W164 L171R129-V141 HydrophobicContact CB-CG1 4.31Å; I130-V141 CarbonylContact O-C 3.44Å; I130-V141 VanDerWaalsContact O-CA 3.25Å; I130-V141 WeakPolarHBondContact O-CA 3.36Å; C131-V141 HydrophobicContact CB-CG2 3.91Å; V141-I149 HydrophobicContact CG1-CB 4.24Å; V141-I149 HydrophobicContact CG1-CD1 4.12Å; V141-I149 WeakPolarHBondContact O-CA 3.43Å; V141-I149 WeakPolarHBondContact O-CB 3.46Å; V141-I149 PolarHBondContact O-N 2.91Å; V141-W150 HydrophobicContact CB-CD2 4.11Å; V141-W150 HydrophobicContact CB-CG 4.34Å; V141-W150 HydrophobicContact CB-CZ2 4.05Å; V141-W150 HydrophobicContact CG2-CD2 4.14Å; V141-W150 HydrophobicContact CG2-CH2 3.83Å; V141-W150 HydrophobicContact CG2-CZ2 3.19Å; V141-W150 PolarHBondContact N-O 3.48Å; V141-W150 PolarHBondContact O-N 3.3Å; V141-W164 HydrophobicContact CG1-CH2 4.22Å; V141-W164 HydrophobicContact CG1-CZ2 4.25Å; V141-W164 HydrophobicContact CG2-CH2 4.26Å; V141-W164 HydrophobicContact CG2-CZ2 4.21Å; V141-L171 HydrophobicContact CG2-CD1 4.15Å
142G94Very high92.9Very high10 Ų1042.2 Ų42.210%0.10323%0.225CC..EExtended strand (participates in β ladder)trans-117.4161178.500000112.4R129 I130 N147R129-G142 CarbonylContact C-O 3.57Å; R129-G142 VanDerWaalsContact CA-O 3.28Å; R129-G142 WeakPolarHBondContact CA-O 3.24Å; I130-G142 PolarHBondContact N-O 3.2Å; I130-G142 PolarHBondContact O-N 3.39Å; G142-N147 CarbonylContact C-O 3.13Å; G142-N147 VanDerWaalsContact CA-O 3.24Å; G142-N147 WeakPolarHBondContact CA-O 3.4Å
143S93.9Very high92.6Very high22 Ų2247.7 Ų47.715%0.15425%0.25CS..EExtended strand (participates in β ladder)trans-86.2161.8170.177.10000111.4Q128 D145 G146 N147Q128-S143 CarbonylContact O-C 3.54Å; Q128-S143 VanDerWaalsContact O-CA 3.27Å; Q128-S143 WeakPolarHBondContact O-CA 3.33Å; S143-D145 PolarHBondContact O-N 3.47Å; S143-D145 PolarHBondContact OG-N 3.08Å; S143-G146 PolarHBondContact O-N 2.92Å; S143-N147 PolarHBondContact N-O 3.49Å; S143-N147 WeakPolarHBondContact OG-CB 3.12Å; S143-N147 PolarHBondContact OG-N 3.43Å; S143-N147 VanDerWaalsContact OG-N 3.1Å
144V92Very high92.2Very high22 Ų2248.6 Ų48.613%0.13326%0.255CS..THydrogen-bonded Turntrans-60-23.8176.268.80000113.8F82 K84 Q128 G146F82-V144 HydrophobicContact CB-CG2 4.28Å; F82-V144 HydrophobicContact CD1-CG2 4.12Å; F82-V144 HydrophobicContact CD2-CG2 3.84Å; F82-V144 HydrophobicContact CE1-CG1 4.27Å; F82-V144 HydrophobicContact CE1-CG2 4.42Å; F82-V144 HydrophobicContact CE2-CB 4.45Å; F82-V144 HydrophobicContact CE2-CG1 4.26Å; F82-V144 HydrophobicContact CE2-CG2 4.16Å; F82-V144 HydrophobicContact CG-CG2 3.82Å; F82-V144 HydrophobicContact CZ-CG1 4Å; F82-V144 HydrophobicContact CZ-CG2 4.43Å; K84-V144 HydrophobicContact CD-CG2 4.36Å; Q128-V144 PolarHBondContact O-N 3.23Å; V144-G146 VanDerWaalsContact C-N 3.33Å
145D89.9Confident91.4Very high120 Ų12058 Ų5864%0.64230%0.296SS*.THydrogen-bonded Turntrans-86.8-2.3176.4-49.9-50.8000113.1S143S143-D145 PolarHBondContact O-N 3.47Å; S143-D145 PolarHBondContact OG-N 3.08Å
146G88.3Confident90.5Very high43 Ų4359.5 Ų59.544%0.44330%0.299SS..SBendtrans95.82.5178.600000116.4M108 S143 V144M108-G146 VanDerWaalsContact CE-CA 3.41Å; S143-G146 PolarHBondContact O-N 2.92Å; V144-G146 VanDerWaalsContact C-N 3.33Å
147N92.8Very high90Very high110 Ų11058.7 Ų58.759%0.58830%0.304SS*.  trans-76.9134.2178.6-65-44.9000110.8G142 S143 I149G142-N147 CarbonylContact C-O 3.13Å; G142-N147 VanDerWaalsContact CA-O 3.24Å; G142-N147 WeakPolarHBondContact CA-O 3.4Å; S143-N147 PolarHBondContact N-O 3.49Å; S143-N147 WeakPolarHBondContact OG-CB 3.12Å; S143-N147 PolarHBondContact OG-N 3.43Å; S143-N147 VanDerWaalsContact OG-N 3.1Å; N147-I149 PolarHBondContact O-N 3.44Å
148R92.8Very high89.9Confident162 Ų16260.7 Ų60.761%0.61132%0.318SS*.EExtended strand (participates in β ladder)trans-74.9115.7172.8-179.7173.2174.5-175.2-5110I140 G151I140-R148 HydrophobicContact CG2-CG 4.05Å; R148-G151 VanDerWaalsContact NH2-C 3.3Å; R148-G151 PolarHBondContact NH2-O 3.03Å
149I92.4Very high89.9Confident81 Ų8160.5 Ų60.542%0.41532%0.316SS..EExtended strand (participates in β ladder)trans-75.9-51.7175.5-57.9-178.5000109.2R129 V141 N147R129-I149 HydrophobicContact CB-CD1 4.41Å; R129-I149 HydrophobicContact CG-CD1 3.7Å; V141-I149 HydrophobicContact CG1-CB 4.24Å; V141-I149 HydrophobicContact CG1-CD1 4.12Å; V141-I149 WeakPolarHBondContact O-CA 3.43Å; V141-I149 WeakPolarHBondContact O-CB 3.46Å; V141-I149 PolarHBondContact O-N 2.91Å; N147-I149 PolarHBondContact O-N 3.44Å
150W94.7Very high89.9Confident30 Ų3062.2 Ų62.211%0.11433%0.327CS..EExtended strand (participates in β ladder)trans-154.3163.2169.960.6-101.1000110.3A139 V141 K152 L171 F173 S185A139-W150 HydrophobicContact CB-CH2 4.25Å; A139-W150 HydrophobicContact CB-CZ3 4.09Å; A139-W150 WeakPolarHBondContact O-CZ3 3.39Å; V141-W150 HydrophobicContact CB-CD2 4.11Å; V141-W150 HydrophobicContact CB-CG 4.34Å; V141-W150 HydrophobicContact CB-CZ2 4.05Å; V141-W150 HydrophobicContact CG2-CD2 4.14Å; V141-W150 HydrophobicContact CG2-CH2 3.83Å; V141-W150 HydrophobicContact CG2-CZ2 3.19Å; V141-W150 PolarHBondContact N-O 3.48Å; V141-W150 PolarHBondContact O-N 3.3Å; W150-K152 HydrophobicContact CE3-CB 4.31Å; W150-K152 HydrophobicContact CE3-CD 4.2Å; W150-K152 HydrophobicContact CE3-CG 4.08Å; W150-K152 HydrophobicContact CZ3-CB 4.2Å; W150-K152 HydrophobicContact CZ3-CD 4.41Å; W150-K152 HydrophobicContact CZ3-CG 4.38Å; W150-L171 HydrophobicContact CH2-CD1 4.4Å; W150-L171 HydrophobicContact CZ2-CD1 3.76Å; W150-F173 HydrophobicContact CH2-CZ 4.1Å; W150-S185 PolarHBondContact NE1-O 3.41Å
151G92.6Very high89.9Confident22 Ų2261.2 Ų61.223%0.22732%0.323CS..EExtended strand (participates in β ladder)trans-155.9134.5163.600000110.6A139 R148A139-G151 CarbonylContact O-C 3.57Å; A139-G151 WeakPolarHBondContact O-CA 3.43Å; R148-G151 VanDerWaalsContact NH2-C 3.3Å; R148-G151 PolarHBondContact NH2-O 3.03Å
152K91.7Very high89.9Confident74 Ų7461.2 Ų61.232%0.32232%0.322SS..EExtended strand (participates in β ladder)trans-130.9144.9-171.9-72.7172.2169.8168.30109.2A138 A139 W150 L154 C186 G187 N188A138-K152 WeakPolarHBondContact CA-O 3.5Å; A139-K152 PolarHBondContact N-O 3.17Å; A139-K152 PolarHBondContact O-N 2.91Å; W150-K152 HydrophobicContact CE3-CB 4.31Å; W150-K152 HydrophobicContact CE3-CD 4.2Å; W150-K152 HydrophobicContact CE3-CG 4.08Å; W150-K152 HydrophobicContact CZ3-CB 4.2Å; W150-K152 HydrophobicContact CZ3-CD 4.41Å; W150-K152 HydrophobicContact CZ3-CG 4.38Å; K152-L154 HydrophobicContact CB-CD2 4.41Å; K152-C186 PolarHBondContact NZ-O 2.85Å; K152-C186 VanDerWaalsContact NZ-O 3.09Å; K152-G187 WeakPolarHBondContact CD-O 3.35Å; K152-G187 WeakPolarHBondContact CE-O 3.47Å; K152-G187 PolarHBondContact NZ-O 3.43Å; K152-N188 PolarHBondContact NZ-OD1 3.43Å; K152-N188 VanDerWaalsContact NZ-OD1 3.09Å
153E89.5Confident90Very high128 Ų12860.7 Ų60.760%0.59832%0.317SS*.EExtended strand (participates in β ladder)trans-91.4111.5167.5-70.3-174.8165.100107.9K114 A138 K155K114-E153 IonicContact NZ-OE1 3.05Å; K114-E153 PolarHBondContact NZ-OE1 2.64Å; A138-E153 HydrophobicContact CB-CG 4.35Å; E153-K155 PolarHBondContact O-N 3.22Å
154L85.4Confident90Very high19 Ų1959.8 Ų59.810%0.09931%0.311CS..  trans-79.5117.9-177.4-59.9-174.4000109.3G137 A139 K152 Y156 L159 F173 F183G137-L154 WeakPolarHBondContact O-CB 3.45Å; G137-L154 PolarHBondContact O-N 3.09Å; A139-L154 HydrophobicContact CB-CD1 4.22Å; A139-L154 HydrophobicContact CB-CG 4.47Å; K152-L154 HydrophobicContact CB-CD2 4.41Å; L154-Y156 HydrophobicContact CB-CD2 4.41Å; L154-Y156 PolarHBondContact O-N 2.86Å; L154-L159 HydrophobicContact CB-CD2 4.47Å; L154-L159 HydrophobicContact CD1-CD1 3.92Å; L154-L159 HydrophobicContact CD1-CD2 3.87Å; L154-F173 HydrophobicContact CD1-CB 4.49Å; L154-F173 HydrophobicContact CD1-CD1 4.32Å; L154-F173 HydrophobicContact CD1-CD2 4.05Å; L154-F173 HydrophobicContact CD1-CE2 4.33Å; L154-F173 HydrophobicContact CD1-CG 4.03Å; L154-F183 HydrophobicContact CD1-CE2 4.28Å; L154-F183 HydrophobicContact CD1-CZ 4.05Å; L154-F183 HydrophobicContact CD2-CE1 3.62Å; L154-F183 HydrophobicContact CD2-CZ 3.57Å; L154-F183 HydrophobicContact CG-CZ 4.41Å
155K78.5Confident89.9Confident201 Ų20159 Ų5987%0.87431%0.306SS*.THydrogen-bonded Turntrans-71.20.9-175.5-63.6-175.2180-179.70114.6E153 G157E153-K155 PolarHBondContact O-N 3.22Å; K155-G157 VanDerWaalsContact C-N 3.32Å; K155-G157 PolarHBondContact O-N 3.27Å
156Y74Confident89.7Confident111 Ų11153.9 Ų53.944%0.43528%0.279SS..THydrogen-bonded Turntrans-89.55.3-170.5-53.6-70.5000113.7L154 F183 Y189L154-Y156 HydrophobicContact CB-CD2 4.41Å; L154-Y156 PolarHBondContact O-N 2.86Å; Y156-F183 HydrophobicContact CD2-CZ 4.37Å; Y156-F183 HydrophobicContact CE2-CZ 4.01Å; Y156-Y189 HydrophobicContact CE2-CD2 4.09Å; Y156-Y189 HydrophobicContact CE2-CE2 4.49Å
157G79.6Confident89.5Confident40 Ų4055 Ų5541%0.41228%0.275SS..  trans107.5-169.717900000112.8K155K155-G157 VanDerWaalsContact C-N 3.32Å; K155-G157 PolarHBondContact O-N 3.27Å
158S90Very high89.3Confident43 Ų4350 Ų5030%0.30125%0.249SC..  trans-66.7131.3-177.7-66.70000112E135 L176E135-S158 WeakPolarHBondContact O-CA 3.29Å; E135-S158 WeakPolarHBondContact O-CB 3.37Å; E135-S158 PolarHBondContact O-OG 3.18Å; S158-L176 PolarHBondContact O-N 2.97Å
159L92.9Very high89.2Confident1 Ų146.7 Ų46.71%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-83.1145176.4-55.1177.4000110.4K118 V133 A139 L154 F173 G174 L175K118-L159 WeakPolarHBondContact CG-O 3.41Å; V133-L159 HydrophobicContact CB-CB 4.13Å; V133-L159 HydrophobicContact CB-CD1 3.88Å; V133-L159 HydrophobicContact CG1-CD1 3.85Å; A139-L159 HydrophobicContact CB-CD1 4.1Å; L154-L159 HydrophobicContact CB-CD2 4.47Å; L154-L159 HydrophobicContact CD1-CD1 3.92Å; L154-L159 HydrophobicContact CD1-CD2 3.87Å; L159-F173 HydrophobicContact CD1-CD1 4.42Å; L159-F173 HydrophobicContact CD2-CB 4.35Å; L159-G174 WeakPolarHBondContact CA-O 3.49Å; L159-L175 HydrophobicContact CD2-CD2 3.57Å
160T93.4Very high89.2Confident37 Ų3743.8 Ų43.823%0.22723%0.23CC..EExtended strand (participates in β ladder)trans-121-32.8179.355.70000113.3G174 L176T160-G174 PolarHBondContact N-O 2.92Å; T160-G174 PolarHBondContact OG1-O 3.36Å; T160-L176 HydrophobicContact CG2-CB 4.11Å; T160-L176 HydrophobicContact CG2-CD1 4.06Å
161S94.2Very high89.2Confident9 Ų942.3 Ų42.36%0.06322%0.224CC..EExtended strand (participates in β ladder)trans-151.2160.1-176.456.90000111.9D119 G174D119-S161 WeakPolarHBondContact OD2-CA 3.49Å; S161-G174 PolarHBondContact O-N 3.43Å
162V95.5Very high89.3Confident0 Ų041.3 Ų41.30%021%0.214CC..EExtended strand (participates in β ladder)trans-139.5145.6172.863.50000110.6D119 K121 C131 V133 L171 L172 F173D119-V162 HydrophobicContact CB-CG1 4.2Å; D119-V162 PolarHBondContact OD2-N 2.73Å; K121-V162 HydrophobicContact CB-CG1 4.24Å; K121-V162 WeakPolarHBondContact CE-O 3Å; K121-V162 HydrophobicContact CG-CG1 3.81Å; K121-V162 WeakPolarHBondContact CG-O 3.37Å; C131-V162 HydrophobicContact CB-CG2 4.22Å; V133-V162 HydrophobicContact CG1-CB 3.79Å; V133-V162 HydrophobicContact CG1-CG1 4.07Å; V133-V162 HydrophobicContact CG1-CG2 4.29Å; V133-V162 HydrophobicContact CG2-CB 4.19Å; V133-V162 HydrophobicContact CG2-CG1 3.99Å; V162-L171 HydrophobicContact CG2-CD2 3.79Å; V162-L172 CarbonylContact C-O 3.44Å; V162-L172 VanDerWaalsContact CA-O 3.24Å; V162-L172 WeakPolarHBondContact CA-O 3.34Å; V162-F173 HydrophobicContact CB-CD1 4.14Å; V162-F173 HydrophobicContact CB-CE1 4.19Å; V162-F173 HydrophobicContact CG2-CD1 3.84Å; V162-F173 HydrophobicContact CG2-CE1 3.56Å; V162-F173 HydrophobicContact CG2-CZ 4.27Å
163E95.5Very high89.5Confident0 Ų037.8 Ų37.80%020%0.198CC..EExtended strand (participates in β ladder)trans-144.4141170-167.655.8-130.600111.1K121 L172 L210 W212 K214K121-E163 WeakPolarHBondContact CD-OE2 3.24Å; K121-E163 WeakPolarHBondContact CE-OE2 3.26Å; K121-E163 IonicContact NZ-OE2 3.78Å; K121-E163 PolarHBondContact NZ-OE2 3.32Å; E163-L172 PolarHBondContact N-O 2.99Å; E163-L172 PolarHBondContact O-N 2.91Å; E163-L210 HydrophobicContact CB-CD2 4.01Å; E163-L210 HydrophobicContact CB-CG 3.87Å; E163-W212 HydrophobicContact CG-CB 3.71Å; E163-K214 WeakPolarHBondContact OE1-CE 3.19Å; E163-K214 IonicContact OE1-NZ 3.05Å
164W93.9Very high89.7Confident3 Ų331.7 Ų31.71%0.01117%0.17CC..EExtended strand (participates in β ladder)trans-85.7143.7172.9-71.496000109.5K121 I123 R129 C131 V141 L171K121-W164 PolarHBondContact O-NE1 3.27Å; I123-W164 HydrophobicContact CB-CD2 4.42Å; R129-W164 HydrophobicContact CB-CZ2 4.48Å; C131-W164 HydrophobicContact CB-CZ2 3.83Å; V141-W164 HydrophobicContact CG1-CH2 4.22Å; V141-W164 HydrophobicContact CG1-CZ2 4.25Å; V141-W164 HydrophobicContact CG2-CH2 4.26Å; V141-W164 HydrophobicContact CG2-CZ2 4.21Å; W164-L171 HydrophobicContact CD2-CD2 3.39Å; W164-L171 HydrophobicContact CD2-CG 4.02Å; W164-L171 HydrophobicContact CE3-CD1 4.32Å; W164-L171 HydrophobicContact CE3-CD2 3.58Å; W164-L171 HydrophobicContact CE3-CG 3.65Å; W164-L171 HydrophobicContact CG-CD2 3.9Å; W164-L171 HydrophobicContact CH2-CD1 3.67Å; W164-L171 HydrophobicContact CH2-CD2 4.02Å; W164-L171 HydrophobicContact CH2-CG 3.94Å; W164-L171 HydrophobicContact CZ2-CD1 4.14Å; W164-L171 HydrophobicContact CZ2-CD2 3.85Å; W164-L171 HydrophobicContact CZ2-CG 4.29Å; W164-L171 HydrophobicContact CZ3-CD1 3.78Å; W164-L171 HydrophobicContact CZ3-CD2 3.89Å; W164-L171 HydrophobicContact CZ3-CG 3.6Å
165S91.2Very high90.1Very high6 Ų631 Ų314%0.04217%0.166CC..  trans-62.9150.1161.352.90000110.6D167 G168 N169 T170S165-D167 WeakPolarHBondContact CB-OD1 3.48Å; S165-D167 PolarHBondContact O-N 3.27Å; S165-D167 VanDerWaalsContact O-N 3.14Å; S165-D167 PolarHBondContact OG-OD1 3.32Å; S165-G168 WeakPolarHBondContact O-CA 3.39Å; S165-G168 PolarHBondContact O-N 3.14Å; S165-N169 PolarHBondContact OG-N 3.17Å; S165-T170 WeakPolarHBondContact CB-OG1 3.46Å; S165-T170 PolarHBondContact N-O 3.43Å; S165-T170 PolarHBondContact OG-N 3.16Å; S165-T170 PolarHBondContact OG-O 3.38Å; S165-T170 PolarHBondContact OG-OG1 3.38Å
166P85.4Confident90.7Very high11 Ų1126.2 Ų26.27%0.07115%0.15CC..THydrogen-bonded Turntrans-53.6-35.8179.7-31.438.1000113.5V125 G168 W212 Y213 Y219V125-P166 WeakPolarHBondContact CG2-O 3.19Å; P166-G168 VanDerWaalsContact C-N 3.28Å; P166-G168 PolarHBondContact O-N 3.32Å; P166-W212 HydrophobicContact CG-CD2 4.42Å; P166-W212 HydrophobicContact CG-CG 4.1Å; P166-Y213 WeakPolarHBondContact CG-O 3.48Å; P166-Y219 HydrophobicContact CB-CE1 3.74Å; P166-Y219 WeakPolarHBondContact CB-OH 3.47Å; P166-Y219 PolarHBondContact O-OH 3.22Å
167D84.2Confident91.4Very high67 Ų6725.1 Ų25.136%0.35816%0.155SC..THydrogen-bonded Turntrans-78.1-8.3178.269.4-10.7000113.9S165 N169 Y219S165-D167 WeakPolarHBondContact CB-OD1 3.48Å; S165-D167 PolarHBondContact O-N 3.27Å; S165-D167 VanDerWaalsContact O-N 3.14Å; S165-D167 PolarHBondContact OG-OD1 3.32Å; D167-N169 VanDerWaalsContact C-N 3.27Å; D167-N169 VanDerWaalsContact CG-ND2 3.29Å; D167-N169 PolarHBondContact O-N 2.88Å; D167-N169 PolarHBondContact OD1-N 3.49Å; D167-N169 VanDerWaalsContact OD1-N 3.08Å; D167-N169 PolarHBondContact OD2-ND2 2.97Å; D167-Y219 HydrophobicContact CB-CE1 4.44Å; D167-Y219 HydrophobicContact CB-CE2 4.27Å; D167-Y219 PolarHBondContact N-OH 3.34Å
168G87.9Confident91.9Very high5 Ų523.4 Ų23.45%0.05214%0.137CC..SBendtrans76.45.3179.900000115.5S165 P166S165-G168 WeakPolarHBondContact O-CA 3.39Å; S165-G168 PolarHBondContact O-N 3.14Å; P166-G168 VanDerWaalsContact C-N 3.28Å; P166-G168 PolarHBondContact O-N 3.32Å
169N90.2Very high92Very high93 Ų9324.7 Ų24.750%0.49714%0.138SC..SBendtrans-85.5-24.7-174.1-69.4-36.5000113.7S165 D167 D184 S185S165-N169 PolarHBondContact OG-N 3.17Å; D167-N169 VanDerWaalsContact C-N 3.27Å; D167-N169 VanDerWaalsContact CG-ND2 3.29Å; D167-N169 PolarHBondContact O-N 2.88Å; D167-N169 PolarHBondContact OD1-N 3.49Å; D167-N169 VanDerWaalsContact OD1-N 3.08Å; D167-N169 PolarHBondContact OD2-ND2 2.97Å; N169-D184 CarbonylContact O-C 3.55Å; N169-S185 PolarHBondContact O-N 2.82Å
170T92.9Very high92.1Very high19 Ų1924.7 Ų24.712%0.11714%0.138CC..EExtended strand (participates in β ladder)trans-128.5153.9-17666.20000112.1S165 F183 L190S165-T170 WeakPolarHBondContact CB-OG1 3.46Å; S165-T170 PolarHBondContact N-O 3.43Å; S165-T170 PolarHBondContact OG-N 3.16Å; S165-T170 PolarHBondContact OG-O 3.38Å; S165-T170 PolarHBondContact OG-OG1 3.38Å; T170-F183 CarbonylContact C-O 3.54Å; T170-F183 VanDerWaalsContact CA-O 3.26Å; T170-F183 WeakPolarHBondContact CA-O 3.24Å; T170-L190 HydrophobicContact CG2-CD1 4.27Å
171L94.4Very high92.2Very high0 Ų023.1 Ų23.10%013%0.128CC..EExtended strand (participates in β ladder)trans-125.7129.1177.6-84.7166000109.1C131 V141 W150 V162 W164 F173 F183C131-L171 HydrophobicContact CB-CD2 4.13Å; V141-L171 HydrophobicContact CG2-CD1 4.15Å; W150-L171 HydrophobicContact CH2-CD1 4.4Å; W150-L171 HydrophobicContact CZ2-CD1 3.76Å; V162-L171 HydrophobicContact CG2-CD2 3.79Å; W164-L171 HydrophobicContact CD2-CD2 3.39Å; W164-L171 HydrophobicContact CD2-CG 4.02Å; W164-L171 HydrophobicContact CE3-CD1 4.32Å; W164-L171 HydrophobicContact CE3-CD2 3.58Å; W164-L171 HydrophobicContact CE3-CG 3.65Å; W164-L171 HydrophobicContact CG-CD2 3.9Å; W164-L171 HydrophobicContact CH2-CD1 3.67Å; W164-L171 HydrophobicContact CH2-CD2 4.02Å; W164-L171 HydrophobicContact CH2-CG 3.94Å; W164-L171 HydrophobicContact CZ2-CD1 4.14Å; W164-L171 HydrophobicContact CZ2-CD2 3.85Å; W164-L171 HydrophobicContact CZ2-CG 4.29Å; W164-L171 HydrophobicContact CZ3-CD1 3.78Å; W164-L171 HydrophobicContact CZ3-CD2 3.89Å; W164-L171 HydrophobicContact CZ3-CG 3.6Å; L171-F173 HydrophobicContact CB-CE2 3.85Å; L171-F173 HydrophobicContact CB-CZ 4.16Å; L171-F173 HydrophobicContact CD1-CE2 4.41Å; L171-F173 HydrophobicContact CD1-CZ 4.12Å; L171-F183 HydrophobicContact CB-CB 4.36Å; L171-F183 PolarHBondContact N-O 3.3Å; L171-F183 PolarHBondContact O-N 2.94Å
172L95.3Very high92.2Very high0 Ų022.7 Ų22.70%013%0.125CC..EExtended strand (participates in β ladder)trans-100.9127.5172.8-55.5-177.1000108.9V162 E163 I180 V182 L210 W212 L227 H242V162-L172 CarbonylContact C-O 3.44Å; V162-L172 VanDerWaalsContact CA-O 3.24Å; V162-L172 WeakPolarHBondContact CA-O 3.34Å; E163-L172 PolarHBondContact N-O 2.99Å; E163-L172 PolarHBondContact O-N 2.91Å; L172-I180 HydrophobicContact CB-CG2 4.09Å; L172-V182 HydrophobicContact CD2-CB 4.14Å; L172-V182 HydrophobicContact CD2-CG1 3.86Å; L172-V182 HydrophobicContact CD2-CG2 3.73Å; L172-L210 HydrophobicContact CB-CD2 3.67Å; L172-L210 HydrophobicContact CD1-CD1 4.21Å; L172-L210 HydrophobicContact CD1-CD2 4.46Å; L172-W212 HydrophobicContact CD1-CE3 3.62Å; L172-W212 HydrophobicContact CD1-CZ3 3.52Å; L172-W212 HydrophobicContact CD2-CZ3 4.28Å; L172-W212 HydrophobicContact CG-CE3 4.21Å; L172-W212 HydrophobicContact CG-CZ3 3.82Å; L172-L227 HydrophobicContact CD1-CD1 3.88Å; L172-L227 HydrophobicContact CD1-CD2 3.91Å; L172-H242 HydrophobicContact CD2-CB 4.11Å
173F95.7Very high92.1Very high0 Ų023 Ų230%013%0.127CC..EExtended strand (participates in β ladder)trans-114.4119.8175.3-67.5-74000110.2V133 A139 W150 L154 L159 V162 L171 I180 C181 F183V133-F173 HydrophobicContact CG1-CD1 3.61Å; V133-F173 HydrophobicContact CG1-CE1 3.43Å; V133-F173 VanDerWaalsContact CG1-CE1 3.43Å; A139-F173 HydrophobicContact CB-CE1 3.78Å; A139-F173 HydrophobicContact CB-CZ 3.95Å; W150-F173 HydrophobicContact CH2-CZ 4.1Å; L154-F173 HydrophobicContact CD1-CB 4.49Å; L154-F173 HydrophobicContact CD1-CD1 4.32Å; L154-F173 HydrophobicContact CD1-CD2 4.05Å; L154-F173 HydrophobicContact CD1-CE2 4.33Å; L154-F173 HydrophobicContact CD1-CG 4.03Å; L159-F173 HydrophobicContact CD1-CD1 4.42Å; L159-F173 HydrophobicContact CD2-CB 4.35Å; V162-F173 HydrophobicContact CB-CD1 4.14Å; V162-F173 HydrophobicContact CB-CE1 4.19Å; V162-F173 HydrophobicContact CG2-CD1 3.84Å; V162-F173 HydrophobicContact CG2-CE1 3.56Å; V162-F173 HydrophobicContact CG2-CZ 4.27Å; L171-F173 HydrophobicContact CB-CE2 3.85Å; L171-F173 HydrophobicContact CB-CZ 4.16Å; L171-F173 HydrophobicContact CD1-CE2 4.41Å; L171-F173 HydrophobicContact CD1-CZ 4.12Å; F173-I180 WeakPolarHBondContact O-CA 3.39Å; F173-C181 PolarHBondContact N-O 2.73Å; F173-C181 PolarHBondContact O-N 2.9Å; F173-F183 HydrophobicContact CD2-CB 4.27Å; F173-F183 AromaticContact CD2-CD2 3.35Å; F173-F183 HydrophobicContact CD2-CD2 3.35Å; F173-F183 AromaticContact CD2-CE2 3.74Å; F173-F183 HydrophobicContact CD2-CE2 3.74Å; F173-F183 AromaticContact CD2-CG 3.91Å; F173-F183 HydrophobicContact CD2-CG 3.91Å; F173-F183 HydrophobicContact CE2-CB 3.94Å; F173-F183 HydrophobicContact CE2-CD1 4.5Å; F173-F183 AromaticContact CE2-CD2 3.8Å; F173-F183 HydrophobicContact CE2-CD2 3.8Å; F173-F183 HydrophobicContact CE2-CE2 4.37Å; F173-F183 AromaticContact CE2-CG 3.84Å; F173-F183 HydrophobicContact CE2-CG 3.84Å
174G94.5Very high92Very high0 Ų024.8 Ų24.80%014%0.136CC..EExtended strand (participates in β ladder)trans-81.8133.9171.100000111.4L159 T160 S161L159-G174 WeakPolarHBondContact CA-O 3.49Å; T160-G174 PolarHBondContact N-O 2.92Å; T160-G174 PolarHBondContact OG1-O 3.36Å; S161-G174 PolarHBondContact O-N 3.43Å
175L93.5Very high91.9Very high5 Ų525.9 Ų25.93%0.02614%0.144CC..EExtended strand (participates in β ladder)trans-100.6154.9176.3-56.8-177.4000110.9L159 T177 G178 E179L159-L175 HydrophobicContact CD2-CD2 3.57Å; L175-T177 WeakPolarHBondContact CB-OG1 3.29Å; L175-T177 PolarHBondContact O-N 3.03Å; L175-T177 VanDerWaalsContact O-N 3.09Å; L175-G178 PolarHBondContact O-N 2.89Å; L175-E179 WeakPolarHBondContact CB-O 3.41Å; L175-E179 HydrophobicContact CD1-CB 4.2Å; L175-E179 PolarHBondContact N-O 3.49Å
176L90.7Very high91.8Very high100 Ų10029.1 Ų29.152%0.52417%0.166SC..THydrogen-bonded Turntrans-59.2-22.5174.9-17563.7000113.3S158 T160 G178S158-L176 PolarHBondContact O-N 2.97Å; T160-L176 HydrophobicContact CG2-CB 4.11Å; T160-L176 HydrophobicContact CG2-CD1 4.06Å; L176-G178 PolarHBondContact O-N 3.37Å
177T89Confident91.9Very high89 Ų8928.7 Ų28.755%0.54616%0.164SC..THydrogen-bonded Turntrans-72.3-8.1174.854.30000113.7L175 E179L175-T177 WeakPolarHBondContact CB-OG1 3.29Å; L175-T177 PolarHBondContact O-N 3.03Å; L175-T177 VanDerWaalsContact O-N 3.09Å; T177-E179 WeakPolarHBondContact OG1-CG 3.42Å
178G89.9Confident92.3Very high3 Ų329.3 Ų29.33%0.03117%0.167CC..SBendtrans87.43.3-173.100000113.9L175 L176 Y231L175-G178 PolarHBondContact O-N 2.89Å; L176-G178 PolarHBondContact O-N 3.37Å; G178-Y231 WeakPolarHBondContact O-CE1 3.38Å; G178-Y231 PolarHBondContact O-OH 3.24Å
179E92.1Very high92.6Very high71 Ų7133.6 Ų33.633%0.33218%0.183SC..  trans-89.8152.7-179.8-57.6-174.416100111.6L175 T177 K192L175-E179 WeakPolarHBondContact CB-O 3.41Å; L175-E179 HydrophobicContact CD1-CB 4.2Å; L175-E179 PolarHBondContact N-O 3.49Å; T177-E179 WeakPolarHBondContact OG1-CG 3.42Å; E179-K192 VanDerWaalsContact CD-CE 3.43Å; E179-K192 IonicContact OE1-NZ 2.63Å; E179-K192 PolarHBondContact OE1-NZ 3.4Å; E179-K192 WeakPolarHBondContact OE2-CE 3.39Å; E179-K192 IonicContact OE2-NZ 2.89Å; E179-K192 PolarHBondContact OE2-NZ 3.36Å
180I94.8Very high92.7Very high0 Ų033.3 Ų33.30%018%0.181CC..EExtended strand (participates in β ladder)trans-121.7122179.2-62.5167.5000109.3L172 F173 M193 I207 L210 V229L172-I180 HydrophobicContact CB-CG2 4.09Å; F173-I180 WeakPolarHBondContact O-CA 3.39Å; I180-M193 HydrophobicContact CB-CB 4.22Å; I180-M193 HydrophobicContact CB-CE 3.9Å; I180-M193 HydrophobicContact CD1-CE 3.3Å; I180-M193 HydrophobicContact CG1-CE 4.16Å; I180-M193 HydrophobicContact CG2-CB 4.26Å; I180-M193 HydrophobicContact CG2-CE 3.89Å; I180-M193 HydrophobicContact CG2-SD 4.48Å; I180-M193 PolarHBondContact O-N 3.12Å; I180-I207 HydrophobicContact CD1-CD1 4.09Å; I180-I207 HydrophobicContact CG1-CD1 3.56Å; I180-L210 HydrophobicContact CD1-CD1 3.93Å; I180-V229 HydrophobicContact CD1-CB 4.41Å; I180-V229 HydrophobicContact CD1-CG1 3.51Å; I180-V229 HydrophobicContact CD1-CG2 3.98Å
181C94.5Very high92.7Very high4 Ų435.3 Ų35.33%0.02719%0.191CC..EExtended strand (participates in β ladder)trans-103.6135.2177.6-68.10000110.3F173 F183 Y189F173-C181 PolarHBondContact N-O 2.73Å; F173-C181 PolarHBondContact O-N 2.9Å; C181-F183 HydrophobicContact CB-CD2 4.23Å; C181-F183 HydrophobicContact CB-CE2 3.64Å; C181-Y189 HydrophobicContact CB-CD2 4.4Å; C181-Y189 HydrophobicContact CB-CE2 3.97Å
182V94.9Very high92.6Very high0 Ų039.7 Ų39.70%021%0.21CC..EExtended strand (participates in β ladder)trans-100133.7179.8-167.60000109L172 L190 N191 M193L172-V182 HydrophobicContact CD2-CB 4.14Å; L172-V182 HydrophobicContact CD2-CG1 3.86Å; L172-V182 HydrophobicContact CD2-CG2 3.73Å; V182-L190 HydrophobicContact CB-CB 4.45Å; V182-L190 HydrophobicContact CG1-CB 4.49Å; V182-L190 HydrophobicContact CG1-CD1 4.1Å; V182-L190 PolarHBondContact O-N 3.34Å; V182-N191 WeakPolarHBondContact CB-OD1 3.21Å; V182-N191 WeakPolarHBondContact CG2-OD1 3.41Å; V182-N191 PolarHBondContact N-O 2.91Å; V182-M193 HydrophobicContact CG2-CB 4.27Å
183F94.2Very high92.5Very high6 Ų639.8 Ų39.83%0.02621%0.21CC..EExtended strand (participates in β ladder)trans-129.7155.4178-73.7-110.6000110.1L154 Y156 T170 L171 F173 C181 G187 N188 Y189L154-F183 HydrophobicContact CD1-CE2 4.28Å; L154-F183 HydrophobicContact CD1-CZ 4.05Å; L154-F183 HydrophobicContact CD2-CE1 3.62Å; L154-F183 HydrophobicContact CD2-CZ 3.57Å; L154-F183 HydrophobicContact CG-CZ 4.41Å; Y156-F183 HydrophobicContact CD2-CZ 4.37Å; Y156-F183 HydrophobicContact CE2-CZ 4.01Å; T170-F183 CarbonylContact C-O 3.54Å; T170-F183 VanDerWaalsContact CA-O 3.26Å; T170-F183 WeakPolarHBondContact CA-O 3.24Å; L171-F183 HydrophobicContact CB-CB 4.36Å; L171-F183 PolarHBondContact N-O 3.3Å; L171-F183 PolarHBondContact O-N 2.94Å; F173-F183 HydrophobicContact CD2-CB 4.27Å; F173-F183 AromaticContact CD2-CD2 3.35Å; F173-F183 HydrophobicContact CD2-CD2 3.35Å; F173-F183 AromaticContact CD2-CE2 3.74Å; F173-F183 HydrophobicContact CD2-CE2 3.74Å; F173-F183 AromaticContact CD2-CG 3.91Å; F173-F183 HydrophobicContact CD2-CG 3.91Å; F173-F183 HydrophobicContact CE2-CB 3.94Å; F173-F183 HydrophobicContact CE2-CD1 4.5Å; F173-F183 AromaticContact CE2-CD2 3.8Å; F173-F183 HydrophobicContact CE2-CD2 3.8Å; F173-F183 HydrophobicContact CE2-CE2 4.37Å; F173-F183 AromaticContact CE2-CG 3.84Å; F173-F183 HydrophobicContact CE2-CG 3.84Å; C181-F183 HydrophobicContact CB-CD2 4.23Å; C181-F183 HydrophobicContact CB-CE2 3.64Å; F183-G187 WeakPolarHBondContact CD1-O 3.47Å; F183-N188 CarbonylContact C-O 3.54Å; F183-N188 WeakPolarHBondContact CA-O 3.38Å; F183-N188 WeakPolarHBondContact CB-O 3.25Å; F183-N188 WeakPolarHBondContact CD1-O 3.4Å; F183-Y189 HydrophobicContact CD2-CD2 4.33Å; F183-Y189 HydrophobicContact CE1-CD2 4.29Å; F183-Y189 AromaticContact CE2-CD2 3.78Å; F183-Y189 HydrophobicContact CE2-CD2 3.78Å; F183-Y189 AromaticContact CZ-CD2 3.74Å; F183-Y189 HydrophobicContact CZ-CD2 3.74Å; F183-Y189 HydrophobicContact CZ-CG 4.38Å
184D93.2Very high92.3Very high38 Ų3842.8 Ų42.820%0.20323%0.231CC..EExtended strand (participates in β ladder)trans-74.7167.8166.67117.6000111.3N169 C186 G187 N188 L190N169-D184 CarbonylContact O-C 3.55Å; D184-C186 PolarHBondContact O-N 2.97Å; D184-C186 VanDerWaalsContact O-N 3.09Å; D184-C186 VanDerWaalsContact OD1-CA 3.27Å; D184-C186 WeakPolarHBondContact OD1-CA 3.34Å; D184-C186 WeakPolarHBondContact OD1-CB 3.3Å; D184-C186 PolarHBondContact OD1-N 3.48Å; D184-G187 PolarHBondContact O-N 3.44Å; D184-G187 PolarHBondContact OD1-N 2.93Å; D184-N188 PolarHBondContact N-O 3.18Å; D184-N188 PolarHBondContact OD1-N 3.06Å; D184-N188 PolarHBondContact OD1-ND2 3.39Å; D184-N188 WeakPolarHBondContact OD2-CB 3.09Å; D184-N188 PolarHBondContact OD2-ND2 2.94Å; D184-L190 HydrophobicContact CB-CD1 4.3Å; D184-L190 HydrophobicContact CB-CD2 4.35Å; D184-L190 HydrophobicContact CB-CG 4.46Å
185S90.7Very high92.1Very high26 Ų2644.7 Ų44.718%0.18224%0.243CC..THydrogen-bonded Turntrans-61.9-14.4177.266.80000114.4W150 N169W150-S185 PolarHBondContact NE1-O 3.41Å; N169-S185 PolarHBondContact O-N 2.82Å
186C90.5Very high92Very high74 Ų7447.9 Ų47.950%0.526%0.255SS..THydrogen-bonded Turntrans-91.21.9173.9-59.50000112.9K152 D184K152-C186 PolarHBondContact NZ-O 2.85Å; K152-C186 VanDerWaalsContact NZ-O 3.09Å; D184-C186 PolarHBondContact O-N 2.97Å; D184-C186 VanDerWaalsContact O-N 3.09Å; D184-C186 VanDerWaalsContact OD1-CA 3.27Å; D184-C186 WeakPolarHBondContact OD1-CA 3.34Å; D184-C186 WeakPolarHBondContact OD1-CB 3.3Å; D184-C186 PolarHBondContact OD1-N 3.48Å
187G87.8Confident91.9Very high2 Ų243.5 Ų43.52%0.02123%0.233CC..SBendtrans75.722.617900000114K152 F183 D184K152-G187 WeakPolarHBondContact CD-O 3.35Å; K152-G187 WeakPolarHBondContact CE-O 3.47Å; K152-G187 PolarHBondContact NZ-O 3.43Å; F183-G187 WeakPolarHBondContact CD1-O 3.47Å; D184-G187 PolarHBondContact O-N 3.44Å; D184-G187 PolarHBondContact OD1-N 2.93Å
188N92.4Very high92Very high81 Ų8140.7 Ų40.743%0.43321%0.214SC..  trans-86.3137.4170.4-50.8-48.8000109.8K152 F183 D184K152-N188 PolarHBondContact NZ-OD1 3.43Å; K152-N188 VanDerWaalsContact NZ-OD1 3.09Å; F183-N188 CarbonylContact C-O 3.54Å; F183-N188 WeakPolarHBondContact CA-O 3.38Å; F183-N188 WeakPolarHBondContact CB-O 3.25Å; F183-N188 WeakPolarHBondContact CD1-O 3.4Å; D184-N188 PolarHBondContact N-O 3.18Å; D184-N188 PolarHBondContact OD1-N 3.06Å; D184-N188 PolarHBondContact OD1-ND2 3.39Å; D184-N188 WeakPolarHBondContact OD2-CB 3.09Å; D184-N188 PolarHBondContact OD2-ND2 2.94Å
189Y92.9Very high91.7Very high95 Ų9545.7 Ų45.737%0.37324%0.24SC..EExtended strand (participates in β ladder)trans-69.9132178.9176.5-97.9000110.4Y156 C181 F183 N191 K192Y156-Y189 HydrophobicContact CE2-CD2 4.09Å; Y156-Y189 HydrophobicContact CE2-CE2 4.49Å; C181-Y189 HydrophobicContact CB-CD2 4.4Å; C181-Y189 HydrophobicContact CB-CE2 3.97Å; F183-Y189 HydrophobicContact CD2-CD2 4.33Å; F183-Y189 HydrophobicContact CE1-CD2 4.29Å; F183-Y189 AromaticContact CE2-CD2 3.78Å; F183-Y189 HydrophobicContact CE2-CD2 3.78Å; F183-Y189 AromaticContact CZ-CD2 3.74Å; F183-Y189 HydrophobicContact CZ-CD2 3.74Å; F183-Y189 HydrophobicContact CZ-CG 4.38Å; Y189-N191 WeakPolarHBondContact CE2-O 3.43Å; Y189-K192 PolarHBondContact OH-N 2.88Å
190L93Very high91.2Very high87 Ų8749.8 Ų49.846%0.45526%0.264SS..EExtended strand (participates in β ladder)trans-101.5-68.3177.4-61.6176.8000110.2T170 V182 D184T170-L190 HydrophobicContact CG2-CD1 4.27Å; V182-L190 HydrophobicContact CB-CB 4.45Å; V182-L190 HydrophobicContact CG1-CB 4.49Å; V182-L190 HydrophobicContact CG1-CD1 4.1Å; V182-L190 PolarHBondContact O-N 3.34Å; D184-L190 HydrophobicContact CB-CD1 4.3Å; D184-L190 HydrophobicContact CB-CD2 4.35Å; D184-L190 HydrophobicContact CB-CG 4.46Å
191N93Very high90.6Very high61 Ų6152.2 Ų52.233%0.32628%0.277SS..EExtended strand (participates in β ladder)trans-158.1-179.5-178.263-2.6000111.3V182 Y189V182-N191 WeakPolarHBondContact CB-OD1 3.21Å; V182-N191 WeakPolarHBondContact CG2-OD1 3.41Å; V182-N191 PolarHBondContact N-O 2.91Å; Y189-N191 WeakPolarHBondContact CE2-O 3.43Å
192K92.1Very high89.8Confident91 Ų9160.6 Ų60.640%0.39632%0.315SS..EExtended strand (participates in β ladder)trans-104132.4171.1175.6178.7170.5177.90108.4E179 Y189E179-K192 VanDerWaalsContact CD-CE 3.43Å; E179-K192 IonicContact OE1-NZ 2.63Å; E179-K192 PolarHBondContact OE1-NZ 3.4Å; E179-K192 WeakPolarHBondContact OE2-CE 3.39Å; E179-K192 IonicContact OE2-NZ 2.89Å; E179-K192 PolarHBondContact OE2-NZ 3.36Å; Y189-K192 PolarHBondContact OH-N 2.88Å
193M92.8Very high89Confident3 Ų363.7 Ų63.72%0.01535%0.347CS..PPolyproline II helixtrans-74138.3179.1-171.5172.476.100110.9I180 V182 L227 V229 M239 H242I180-M193 HydrophobicContact CB-CB 4.22Å; I180-M193 HydrophobicContact CB-CE 3.9Å; I180-M193 HydrophobicContact CD1-CE 3.3Å; I180-M193 HydrophobicContact CG1-CE 4.16Å; I180-M193 HydrophobicContact CG2-CB 4.26Å; I180-M193 HydrophobicContact CG2-CE 3.89Å; I180-M193 HydrophobicContact CG2-SD 4.48Å; I180-M193 PolarHBondContact O-N 3.12Å; V182-M193 HydrophobicContact CG2-CB 4.27Å; M193-L227 HydrophobicContact SD-CD2 3.94Å; M193-V229 HydrophobicContact CE-CG2 3.61Å; M193-M239 HydrophobicContact CE-SD 4.14Å; M193-M239 HydrophobicContact CG-CE 4.37Å; M193-M239 HydrophobicContact CG-SD 4.41Å; M193-M239 HydrophobicContact SD-CE 4.38Å; M193-M239 HydrophobicContact SD-SD 3.84Å; M193-H242 WeakPolarHBondContact CG-O 3.32Å; M193-H242 HydrophobicContact SD-CB 4.05Å
194S91.6Very high88.6Confident62 Ų6268.2 Ų68.243%0.43439%0.385SS..PPolyproline II helixtrans-70.1135177-630000111.6Y196 Q237S194-Y196 VanDerWaalsContact CB-CE2 3.48Å; S194-Y196 VanDerWaalsContact CB-CZ 3.49Å; S194-Y196 WeakPolarHBondContact CB-OH 3.37Å; S194-Q237 PolarHBondContact O-NE2 2.91Å
195T90.1Very high88.5Confident41 Ų4167.1 Ų67.125%0.25238%0.38SS..  trans-117.6104.9179.750.40000110.3Y231T195-Y231 WeakPolarHBondContact CG2-OH 3.16Å
196Y91.4Very high88.5Confident72 Ų7273.3 Ų73.328%0.28240%0.4SS..  trans-98.5-29.8-173.1-56.3-85.5000112.8S194 L198 N199 P247S194-Y196 VanDerWaalsContact CB-CE2 3.48Å; S194-Y196 VanDerWaalsContact CB-CZ 3.49Å; S194-Y196 WeakPolarHBondContact CB-OH 3.37Å; Y196-L198 PolarHBondContact O-N 3.35Å; Y196-L198 VanDerWaalsContact O-N 3.13Å; Y196-N199 WeakPolarHBondContact O-CB 3.27Å; Y196-N199 VanDerWaalsContact O-CG 3.24Å; Y196-N199 PolarHBondContact O-N 3.41Å; Y196-N199 PolarHBondContact O-ND2 2.76Å; Y196-P247 HydrophobicContact CD2-CG 3.41Å; Y196-P247 VanDerWaalsContact CD2-CG 3.41Å; Y196-P247 HydrophobicContact CE2-CG 3.87Å; Y196-P247 HydrophobicContact CG-CG 4.19Å
197C89.4Confident88.7Confident8 Ų870.6 Ų70.65%0.05438%0.38CS..THydrogen-bonded Turntrans-69-9.6-176.7620000114.6Y231 R235 C236 Q237 L249C197-Y231 WeakPolarHBondContact SG-CE2 3.37Å; C197-R235 HydrophobicContact CB-CB 4.25Å; C197-C236 WeakPolarHBondContact CB-O 3.14Å; C197-Q237 HydrophobicContact CB-CB 4.08Å; C197-L249 HydrophobicContact CB-CD2 3.98Å
198L89.8Confident89Confident29 Ų2972.7 Ų72.715%0.15239%0.392CS..THydrogen-bonded Turntrans-96.82.1178.3-61.5179.4000113.5Y196 N200 I201 V205 Y231 V233 R235Y196-L198 PolarHBondContact O-N 3.35Å; Y196-L198 VanDerWaalsContact O-N 3.13Å; L198-N200 PolarHBondContact O-N 3.49Å; L198-I201 HydrophobicContact CD2-CD1 4.2Å; L198-I201 WeakPolarHBondContact O-CB 3.35Å; L198-I201 PolarHBondContact O-N 3.18Å; L198-V205 HydrophobicContact CD1-CG2 3.68Å; L198-V205 HydrophobicContact CD2-CB 4.48Å; L198-V205 HydrophobicContact CD2-CG1 4.31Å; L198-V205 HydrophobicContact CD2-CG2 4.18Å; L198-Y231 HydrophobicContact CD1-CD1 4.19Å; L198-Y231 HydrophobicContact CD1-CE1 3.74Å; L198-Y231 HydrophobicContact CD1-CE2 4.17Å; L198-Y231 HydrophobicContact CD2-CD1 4.25Å; L198-Y231 HydrophobicContact CD2-CD2 3.97Å; L198-Y231 HydrophobicContact CD2-CE2 4.29Å; L198-Y231 HydrophobicContact CD2-CG 3.95Å; L198-Y231 HydrophobicContact CG-CD2 4.32Å; L198-Y231 HydrophobicContact CG-CE1 4.47Å; L198-Y231 HydrophobicContact CG-CE2 4.14Å; L198-V233 HydrophobicContact CD2-CG2 4.47Å; L198-R235 HydrophobicContact CD2-CB 4.34Å
199N84Confident89.1Confident108 Ų10869.4 Ų69.458%0.57838%0.375SS*.THydrogen-bonded Turntrans-54.1130.1174.4-73.7-14.8000110.1Y196 I201Y196-N199 WeakPolarHBondContact O-CB 3.27Å; Y196-N199 VanDerWaalsContact O-CG 3.24Å; Y196-N199 PolarHBondContact O-N 3.41Å; Y196-N199 PolarHBondContact O-ND2 2.76Å; N199-I201 VanDerWaalsContact C-N 3.32Å; N199-I201 PolarHBondContact O-N 3.06Å
200N81.1Confident89.2Confident157 Ų15765.1 Ų65.184%0.8436%0.359SS*.THydrogen-bonded Turntrans71.110.7-175.4-47.5-40.3000116.4L198L198-N200 PolarHBondContact O-N 3.49Å
201I83.7Confident89.2Confident51 Ų5162.3 Ų62.326%0.26235%0.345SS..  trans-98.5122.6170.7-60-176000109.3L198 N199 V205 V233 R235L198-I201 HydrophobicContact CD2-CD1 4.2Å; L198-I201 WeakPolarHBondContact O-CB 3.35Å; L198-I201 PolarHBondContact O-N 3.18Å; N199-I201 VanDerWaalsContact C-N 3.32Å; N199-I201 PolarHBondContact O-N 3.06Å; I201-V205 HydrophobicContact CG2-CG1 3.89Å; I201-V233 HydrophobicContact CD1-CG2 4.12Å; I201-R235 HydrophobicContact CD1-CG 3.43Å; I201-R235 VanDerWaalsContact CD1-CG 3.43Å
202H77.6Confident89.1Confident180 Ų18060 Ų6083%0.83333%0.331SS*.  trans-110.5125.3174.3-58.2-61.7000109.3
203G78.3Confident88.9Confident65 Ų6557 Ų5767%0.6732%0.318SS*.SBendtrans137.3175.7179.600000112.5V205G203-V205 PolarHBondContact O-N 2.99Å
204A84.6Confident88.1Confident101 Ų10158.9 Ų58.984%0.83533%0.326SS*.  trans-75120.1173.700000109.5
205V91.3Very high86.7Confident15 Ų1556.3 Ų56.39%0.09131%0.309CS..  trans-114.7149.3173.5-64.90000109.3L198 I201 G203 Y231 V233L198-V205 HydrophobicContact CD1-CG2 3.68Å; L198-V205 HydrophobicContact CD2-CB 4.48Å; L198-V205 HydrophobicContact CD2-CG1 4.31Å; L198-V205 HydrophobicContact CD2-CG2 4.18Å; I201-V205 HydrophobicContact CG2-CG1 3.89Å; G203-V205 PolarHBondContact O-N 2.99Å; V205-Y231 HydrophobicContact CB-CD1 4.36Å; V205-Y231 HydrophobicContact CG2-CD1 4.18Å; V205-Y231 HydrophobicContact CG2-CE1 4.46Å; V205-V233 HydrophobicContact CG1-CG1 3.98Å; V205-V233 HydrophobicContact CG1-CG2 3.92Å
206R92.1Very high85.1Confident157 Ų15759.4 Ų59.459%0.59232%0.32SS*.  trans-122.1139-178.8-62.1-178.6-121.3-169.4-4.2110.6V208 Y231 D232R206-V208 PolarHBondContact O-N 3.06Å; R206-Y231 VanDerWaalsContact O-CA 3.29Å; R206-Y231 WeakPolarHBondContact O-CA 3.4Å; R206-D232 HydrophobicContact CB-CB 4.47Å; R206-D232 PolarHBondContact N-OD1 3.15Å; R206-D232 IonicContact NE-OD2 3.55Å; R206-D232 PolarHBondContact O-N 3.38Å
207I94.6Very high82.8Confident16 Ų1662.3 Ų62.38%0.08234%0.341CS..EExtended strand (participates in β ladder)trans-71121.8169.8-61.9158.4000107.3I180 Y231I180-I207 HydrophobicContact CD1-CD1 4.09Å; I180-I207 HydrophobicContact CG1-CD1 3.56Å; I207-Y231 HydrophobicContact CG1-CD1 4.2Å; I207-Y231 HydrophobicContact CG1-CE1 3.68Å
208V94.1Very high80.4Confident46 Ų4668.5 Ų68.528%0.27937%0.374SS..EExtended strand (participates in β ladder)trans-93.9-40.1177171.10000110.6R206 C230 D232 I256 T257R206-V208 PolarHBondContact O-N 3.06Å; V208-C230 PolarHBondContact N-O 3.19Å; V208-D232 VanDerWaalsContact CG2-CA 3.47Å; V208-D232 HydrophobicContact CG2-CB 3.69Å; V208-D232 VanDerWaalsContact CG2-N 3.34Å; V208-I256 HydrophobicContact CB-CG2 4.35Å; V208-I256 HydrophobicContact CG1-CG2 3.87Å; V208-I256 WeakPolarHBondContact CG2-O 3.15Å; V208-T257 WeakPolarHBondContact CG1-O 3.44Å
209S93.2Very high78.4Confident12 Ų1273.6 Ų73.68%0.08439%0.392CS..EExtended strand (participates in β ladder)trans-146.5143.6-179.960.60000111.4C230 S259S209-C230 PolarHBondContact N-O 2.92Å; S209-C230 PolarHBondContact O-N 3.27Å; S209-C230 WeakPolarHBondContact OG-CB 3.45Å; S209-C230 PolarHBondContact OG-SG 3.42Å; S209-C230 VanDerWaalsContact OG-SG 3.42Å; S209-S259 WeakPolarHBondContact CB-OG 3.26Å; S209-S259 PolarHBondContact OG-OG 3.33Å
210L94.6Very high76.1Confident6 Ų670.9 Ų70.93%0.03139%0.39CS..EExtended strand (participates in β ladder)trans-133102.2171.8-175.763.2000105.3E163 L172 I180 L227 V229E163-L210 HydrophobicContact CB-CD2 4.01Å; E163-L210 HydrophobicContact CB-CG 3.87Å; L172-L210 HydrophobicContact CB-CD2 3.67Å; L172-L210 HydrophobicContact CD1-CD1 4.21Å; L172-L210 HydrophobicContact CD1-CD2 4.46Å; I180-L210 HydrophobicContact CD1-CD1 3.93Å; L210-L227 HydrophobicContact CD1-CD1 4.05Å; L210-V229 HydrophobicContact CD1-CG2 3.83Å
211D93.4Very high74.1Confident28 Ų2870 Ų7015%0.1539%0.39CS..EExtended strand (participates in β ladder)trans-131122.1-173.1-167.224.4000110.1A228 C260 W261D211-A228 PolarHBondContact N-O 2.94Å; D211-A228 PolarHBondContact O-N 3.26Å; D211-C260 WeakPolarHBondContact OD2-CA 3.32Å; D211-W261 PolarHBondContact O-NE1 3.3Å; D211-W261 PolarHBondContact OD2-N 2.61Å
212W91.8Very high72.7Confident12 Ų1270.3 Ų70.35%0.04539%0.388CS..EExtended strand (participates in β ladder)trans-112.8118.6-177.8-151.3-23.9000109.3E163 P166 L172 K214 S226 L227 N241 H242E163-W212 HydrophobicContact CG-CB 3.71Å; P166-W212 HydrophobicContact CG-CD2 4.42Å; P166-W212 HydrophobicContact CG-CG 4.1Å; L172-W212 HydrophobicContact CD1-CE3 3.62Å; L172-W212 HydrophobicContact CD1-CZ3 3.52Å; L172-W212 HydrophobicContact CD2-CZ3 4.28Å; L172-W212 HydrophobicContact CG-CE3 4.21Å; L172-W212 HydrophobicContact CG-CZ3 3.82Å; W212-K214 PolarHBondContact O-N 3.21Å; W212-S226 PolarHBondContact NE1-OG 3.19Å; W212-L227 HydrophobicContact CB-CD1 3.99Å; W212-L227 HydrophobicContact CD2-CB 4.23Å; W212-L227 HydrophobicContact CD2-CD1 3.86Å; W212-L227 HydrophobicContact CD2-CD2 4.49Å; W212-L227 HydrophobicContact CD2-CG 4.42Å; W212-L227 HydrophobicContact CE3-CD1 4.05Å; W212-L227 HydrophobicContact CG-CB 4.16Å; W212-L227 HydrophobicContact CG-CD1 3.87Å; W212-N241 HydrophobicContact CZ2-CB 4.22Å; W212-H242 HydrophobicContact CH2-CB 4.1Å; W212-H242 AromaticContact CH2-ND1 3.59Å
213Y86.6Confident71.9Confident28 Ų2868.2 Ų68.211%0.1138%0.38CS..  trans-64.6118.2-179.8173.8-120.1000111.6P166 G215 S226 E263 D264P166-Y213 WeakPolarHBondContact CG-O 3.48Å; Y213-G215 PolarHBondContact O-N 2.96Å; Y213-S226 WeakPolarHBondContact CB-O 3.21Å; Y213-S226 PolarHBondContact N-O 3.23Å; Y213-E263 WeakPolarHBondContact CE2-O 3.36Å; Y213-E263 PolarHBondContact OH-O 2.74Å; Y213-D264 VanDerWaalsContact OH-C 3.27Å; Y213-D264 PolarHBondContact OH-O 3.11Å
214K75.7Confident71.6Confident42 Ų4267.5 Ų67.518%0.18336%0.361CS..  trans-80.8-13.3-163.9-77.2158.9178-166.80116.8F124 E163 W212F124-K214 HydrophobicContact CB-CB 4.19Å; F124-K214 HydrophobicContact CB-CD 3.66Å; F124-K214 HydrophobicContact CB-CG 3.83Å; F124-K214 HydrophobicContact CD1-CB 3.63Å; F124-K214 HydrophobicContact CD1-CG 4.24Å; F124-K214 HydrophobicContact CD2-CB 3.96Å; F124-K214 HydrophobicContact CD2-CD 3.67Å; F124-K214 HydrophobicContact CD2-CG 4.19Å; F124-K214 HydrophobicContact CE1-CB 3.91Å; F124-K214 HydrophobicContact CE2-CB 4.22Å; F124-K214 HydrophobicContact CE2-CD 4.47Å; F124-K214 HydrophobicContact CG-CB 3.64Å; F124-K214 HydrophobicContact CG-CD 3.71Å; F124-K214 HydrophobicContact CG-CG 3.82Å; F124-K214 HydrophobicContact CZ-CB 4.2Å; E163-K214 WeakPolarHBondContact OE1-CE 3.19Å; E163-K214 IonicContact OE1-NZ 3.05Å; W212-K214 PolarHBondContact O-N 3.21Å
215G63.6Low71.5Confident8 Ų863.4 Ų63.48%0.08233%0.325CS..  trans44105.5170.300000118Y213 N217Y213-G215 PolarHBondContact O-N 2.96Å; G215-N217 PolarHBondContact O-N 3.17Å
216E55.6Low71.4Confident106 Ų10663.2 Ų63.250%0.49533%0.325SS..SBendtrans-74.9118.4173.5-64.3-167.5155.800111.7F124F124-E216 HydrophobicContact CE1-CG 4.32Å; F124-E216 HydrophobicContact CZ-CG 4.02Å
217N43.2Very low71.4Confident134 Ų13455.7 Ų55.772%0.71730%0.297SS*.SBendtrans66.4117.5167.6-59.3-34000117.6G215G215-N217 PolarHBondContact O-N 3.17Å
218N39.8Very low71.4Confident138 Ų13855 Ų5574%0.73829%0.293SS*.  trans82.695.1171-59-18.4000117.1G220N218-G220 PolarHBondContact O-N 3.09Å
219Y47Very low71.5Confident135 Ų13552.8 Ų52.853%0.52928%0.279SS..  trans-67.711168.9-66.5-70.9000115.3P166 D167P166-Y219 HydrophobicContact CB-CE1 3.74Å; P166-Y219 WeakPolarHBondContact CB-OH 3.47Å; P166-Y219 PolarHBondContact O-OH 3.22Å; D167-Y219 HydrophobicContact CB-CE1 4.44Å; D167-Y219 HydrophobicContact CB-CE2 4.27Å; D167-Y219 PolarHBondContact N-OH 3.34Å
220G37.1Very low71.7Confident52 Ų5252.2 Ų52.254%0.53628%0.275SS..SBendtrans-85.9124.3175.700000110.1N218N218-G220 PolarHBondContact O-N 3.09Å
221T38.5Very low71.7Confident138 Ų13851.9 Ų51.985%0.84727%0.274SS*.  trans77.532166.929.30000119.5M223T221-M223 PolarHBondContact O-N 3.37Å
222R53.5Low71.7Confident58 Ų5851.8 Ų51.822%0.21927%0.273CS..  trans-85.4107.5168.8-75.5-173.2-178.6-158.6-4.8112.7H353R222-H353 PolarHBondContact NH2-CE1 3.28Å; R222-H353 VanDerWaalsContact NH2-CE1 3.35Å; R222-H353 PolarHBondContact NH2-ND1 2.93Å; R222-H353 VanDerWaalsContact NH2-ND1 3.2Å
223M61.8Low71.8Confident135 Ų13554.3 Ų54.367%0.66529%0.29SS*.  trans-10118.7162.7-66.5-9293.100111.7T221 I240 F355T221-M223 PolarHBondContact O-N 3.37Å; M223-I240 HydrophobicContact CE-CD1 4.49Å; M223-F355 HydrophobicContact CB-CE2 4.48Å
224L71.3Confident72.1Confident51 Ų5153 Ų5327%0.26728%0.284SS..SBendtrans-100.2135.7-177.7-68.5172.1000110.7S226 F290 F355L224-S226 PolarHBondContact O-N 3.16Å; L224-F290 HydrophobicContact CD2-CE1 3.8Å; L224-F290 HydrophobicContact CD2-CE2 4.22Å; L224-F290 HydrophobicContact CD2-CZ 3.3Å; L224-F355 HydrophobicContact CD2-CE1 3.56Å; L224-F355 HydrophobicContact CD2-CE2 4.45Å; L224-F355 HydrophobicContact CD2-CZ 3.45Å; L224-F355 VanDerWaalsContact CD2-CZ 3.45Å; L224-F355 HydrophobicContact CG-CE1 4.42Å; L224-F355 HydrophobicContact CG-CZ 3.92Å
225P83.5Confident73Confident14 Ų1455 Ų559%0.09129%0.291CS..  trans-56.5125.9169.6-25.435.8000111.2L238 M239 V248 P289P225-L238 HydrophobicContact CB-CB 3.79Å; P225-M239 CarbonylContact C-O 3.6Å; P225-M239 WeakPolarHBondContact CA-O 3.47Å; P225-V248 HydrophobicContact CG-CG2 4.1Å; P225-P289 WeakPolarHBondContact CB-O 3.42Å; P225-P289 WeakPolarHBondContact CG-O 3.5Å
226S88.4Confident74.5Confident11 Ų1154.6 Ų54.68%0.07729%0.287CS..  trans-130.7-20.4-173.973.60000113.5W212 Y213 L224 M239 I240 W261W212-S226 PolarHBondContact NE1-OG 3.19Å; Y213-S226 WeakPolarHBondContact CB-O 3.21Å; Y213-S226 PolarHBondContact N-O 3.23Å; L224-S226 PolarHBondContact O-N 3.16Å; S226-M239 PolarHBondContact N-O 3.15Å; S226-I240 PolarHBondContact OG-O 3.46Å; S226-W261 PolarHBondContact O-NE1 3.14Å
227L92.6Very high76.4Confident0 Ų049.5 Ų49.50%026%0.263CS..EExtended strand (participates in β ladder)trans-100.9118.6176.6173.761.6000109L172 M193 L210 W212 V229 L238 M239 H242L172-L227 HydrophobicContact CD1-CD1 3.88Å; L172-L227 HydrophobicContact CD1-CD2 3.91Å; M193-L227 HydrophobicContact SD-CD2 3.94Å; L210-L227 HydrophobicContact CD1-CD1 4.05Å; W212-L227 HydrophobicContact CB-CD1 3.99Å; W212-L227 HydrophobicContact CD2-CB 4.23Å; W212-L227 HydrophobicContact CD2-CD1 3.86Å; W212-L227 HydrophobicContact CD2-CD2 4.49Å; W212-L227 HydrophobicContact CD2-CG 4.42Å; W212-L227 HydrophobicContact CE3-CD1 4.05Å; W212-L227 HydrophobicContact CG-CB 4.16Å; W212-L227 HydrophobicContact CG-CD1 3.87Å; L227-V229 HydrophobicContact CG-CG2 4.49Å; L227-L238 CarbonylContact O-C 3.58Å; L227-L238 WeakPolarHBondContact O-CA 3.31Å; L227-M239 HydrophobicContact CB-CB 4.26Å; L227-M239 HydrophobicContact CD2-CB 4.47Å; L227-M239 HydrophobicContact CD2-SD 4.37Å; L227-M239 PolarHBondContact N-O 3.04Å; L227-M239 PolarHBondContact O-N 3Å; L227-H242 HydrophobicContact CD2-CB 4.32Å
228A94.9Very high78.8Confident0 Ų043.1 Ų43.10%023%0.229CC..EExtended strand (participates in β ladder)trans-107.1127.2175.300000110.4D211 L238 W261 L268D211-A228 PolarHBondContact N-O 2.94Å; D211-A228 PolarHBondContact O-N 3.26Å; A228-L238 HydrophobicContact CB-CD2 3.71Å; A228-W261 HydrophobicContact CB-CZ2 4.02Å; A228-L268 HydrophobicContact CB-CD1 4.07Å; A228-L268 HydrophobicContact CB-CD2 3.95Å
229V96.2Very high81.2Confident0 Ų036.7 Ų36.70%020%0.195CC..EExtended strand (participates in β ladder)trans-117.4116.9172-174.90000107.9I180 M193 L210 L227 Y231 C236 Q237I180-V229 HydrophobicContact CD1-CB 4.41Å; I180-V229 HydrophobicContact CD1-CG1 3.51Å; I180-V229 HydrophobicContact CD1-CG2 3.98Å; M193-V229 HydrophobicContact CE-CG2 3.61Å; L210-V229 HydrophobicContact CD1-CG2 3.83Å; L227-V229 HydrophobicContact CG-CG2 4.49Å; V229-Y231 HydrophobicContact CG1-CD2 4.49Å; V229-Y231 HydrophobicContact CG1-CE2 3.7Å; V229-C236 CarbonylContact O-C 3.55Å; V229-C236 WeakPolarHBondContact O-CA 3.39Å; V229-C236 WeakPolarHBondContact O-CB 3.31Å; V229-Q237 HydrophobicContact CB-CG 3.79Å; V229-Q237 HydrophobicContact CG2-CG 4.14Å; V229-Q237 PolarHBondContact N-O 3.34Å; V229-Q237 PolarHBondContact O-N 2.93Å
230C96Very high83.2Confident0 Ų032.2 Ų32.20%018%0.18CC..EExtended strand (participates in β ladder)trans-118.5137.7179.3-48.20000111.4V208 S209 C236 I256 S259V208-C230 PolarHBondContact N-O 3.19Å; S209-C230 PolarHBondContact N-O 2.92Å; S209-C230 PolarHBondContact O-N 3.27Å; S209-C230 WeakPolarHBondContact OG-CB 3.45Å; S209-C230 PolarHBondContact OG-SG 3.42Å; S209-C230 VanDerWaalsContact OG-SG 3.42Å; C230-C236 HydrophobicContact CB-CB 4.33Å; C230-C236 PolarHBondContact SG-SG 2.95Å; C230-I256 HydrophobicContact CB-CD1 3.97Å; C230-I256 HydrophobicContact CB-CG2 4.35Å; C230-S259 PolarHBondContact SG-OG 3.34Å
231Y95.9Very high85.6Confident0 Ų032.8 Ų32.80%017%0.17CC..EExtended strand (participates in β ladder)trans-108.6152.3178-63.5-89.9000111.4G178 T195 C197 L198 V205 R206 I207 V229 V233 G234 R235 I256G178-Y231 WeakPolarHBondContact O-CE1 3.38Å; G178-Y231 PolarHBondContact O-OH 3.24Å; T195-Y231 WeakPolarHBondContact CG2-OH 3.16Å; C197-Y231 WeakPolarHBondContact SG-CE2 3.37Å; L198-Y231 HydrophobicContact CD1-CD1 4.19Å; L198-Y231 HydrophobicContact CD1-CE1 3.74Å; L198-Y231 HydrophobicContact CD1-CE2 4.17Å; L198-Y231 HydrophobicContact CD2-CD1 4.25Å; L198-Y231 HydrophobicContact CD2-CD2 3.97Å; L198-Y231 HydrophobicContact CD2-CE2 4.29Å; L198-Y231 HydrophobicContact CD2-CG 3.95Å; L198-Y231 HydrophobicContact CG-CD2 4.32Å; L198-Y231 HydrophobicContact CG-CE1 4.47Å; L198-Y231 HydrophobicContact CG-CE2 4.14Å; V205-Y231 HydrophobicContact CB-CD1 4.36Å; V205-Y231 HydrophobicContact CG2-CD1 4.18Å; V205-Y231 HydrophobicContact CG2-CE1 4.46Å; R206-Y231 VanDerWaalsContact O-CA 3.29Å; R206-Y231 WeakPolarHBondContact O-CA 3.4Å; I207-Y231 HydrophobicContact CG1-CD1 4.2Å; I207-Y231 HydrophobicContact CG1-CE1 3.68Å; V229-Y231 HydrophobicContact CG1-CD2 4.49Å; V229-Y231 HydrophobicContact CG1-CE2 3.7Å; Y231-V233 PolarHBondContact O-N 3.05Å; Y231-V233 VanDerWaalsContact O-N 3.14Å; Y231-G234 PolarHBondContact O-N 3.49Å; Y231-G234 VanDerWaalsContact O-N 3.09Å; Y231-R235 WeakPolarHBondContact CD2-O 3.28Å; Y231-R235 PolarHBondContact N-O 3.45Å; Y231-I256 WeakPolarHBondContact O-CD1 3.42Å
232D94.1Very high87.9Confident25 Ų2527.7 Ų27.713%0.13414%0.137CC..THydrogen-bonded Turntrans-54.4-33.8-179.959.9-18.5000113.7R206 V208 G234 Q255 I256R206-D232 HydrophobicContact CB-CB 4.47Å; R206-D232 PolarHBondContact N-OD1 3.15Å; R206-D232 IonicContact NE-OD2 3.55Å; R206-D232 PolarHBondContact O-N 3.38Å; V208-D232 VanDerWaalsContact CG2-CA 3.47Å; V208-D232 HydrophobicContact CG2-CB 3.69Å; V208-D232 VanDerWaalsContact CG2-N 3.34Å; D232-G234 PolarHBondContact O-N 3.39Å; D232-G234 VanDerWaalsContact O-N 3.16Å; D232-Q255 CarbonylContact O-C 3.58Å; D232-Q255 VanDerWaalsContact O-CA 3.3Å; D232-Q255 WeakPolarHBondContact O-CA 3.31Å; D232-Q255 WeakPolarHBondContact O-CG 3.24Å; D232-I256 PolarHBondContact O-N 3.03Å; D232-I256 VanDerWaalsContact O-N 3.09Å
233V93.3Very high89.6Confident65 Ų6531.2 Ų31.239%0.39416%0.156SC..THydrogen-bonded Turntrans-736.4178.8-66.50000115.6L198 I201 V205 Y231 R235L198-V233 HydrophobicContact CD2-CG2 4.47Å; I201-V233 HydrophobicContact CD1-CG2 4.12Å; V205-V233 HydrophobicContact CG1-CG1 3.98Å; V205-V233 HydrophobicContact CG1-CG2 3.92Å; Y231-V233 PolarHBondContact O-N 3.05Å; Y231-V233 VanDerWaalsContact O-N 3.14Å; V233-R235 HydrophobicContact CG2-CB 4.39Å; V233-R235 HydrophobicContact CG2-CG 4.03Å
234G92.4Very high90.9Very high0 Ų025.4 Ų25.40%013%0.128CC..SBendtrans86.811.8178.100000115Y231 D232 T252 I254Y231-G234 PolarHBondContact O-N 3.49Å; Y231-G234 VanDerWaalsContact O-N 3.09Å; D232-G234 PolarHBondContact O-N 3.39Å; D232-G234 VanDerWaalsContact O-N 3.16Å; G234-T252 VanDerWaalsContact CA-OG1 3.24Å; G234-T252 WeakPolarHBondContact CA-OG1 3.4Å; G234-T252 PolarHBondContact O-N 3.39Å; G234-T252 PolarHBondContact O-OG1 3.45Å; G234-I254 WeakPolarHBondContact CA-O 3.47Å; G234-I254 PolarHBondContact N-O 2.93Å
235R94.7Very high91.7Very high84 Ų8427.8 Ų27.832%0.31715%0.146SC..EExtended strand (participates in β ladder)trans-97.7133.4175.9-59.9-56.1176.4155.6-0.5110.4C197 L198 I201 Y231 V233 L250 N251C197-R235 HydrophobicContact CB-CB 4.25Å; L198-R235 HydrophobicContact CD2-CB 4.34Å; I201-R235 HydrophobicContact CD1-CG 3.43Å; I201-R235 VanDerWaalsContact CD1-CG 3.43Å; Y231-R235 WeakPolarHBondContact CD2-O 3.28Å; Y231-R235 PolarHBondContact N-O 3.45Å; V233-R235 HydrophobicContact CG2-CB 4.39Å; V233-R235 HydrophobicContact CG2-CG 4.03Å; R235-L250 WeakPolarHBondContact CA-O 3.28Å; R235-N251 PolarHBondContact NH1-ND2 3.42Å
236C95.2Very high91.9Very high0 Ų033.8 Ų33.80%018%0.177CC..EExtended strand (participates in β ladder)trans-129151.7170.3-37.70000110.7C197 V229 C230 L250 I256C197-C236 WeakPolarHBondContact CB-O 3.14Å; V229-C236 CarbonylContact O-C 3.55Å; V229-C236 WeakPolarHBondContact O-CA 3.39Å; V229-C236 WeakPolarHBondContact O-CB 3.31Å; C230-C236 HydrophobicContact CB-CB 4.33Å; C230-C236 PolarHBondContact SG-SG 2.95Å; C236-L250 HydrophobicContact CB-CB 4Å; C236-L250 HydrophobicContact CB-CD1 4.37Å; C236-L250 PolarHBondContact N-O 3.48Å; C236-L250 PolarHBondContact O-N 2.93Å; C236-I256 WeakPolarHBondContact SG-CD1 3.31Å
237Q95Very high92.1Very high0 Ų033.9 Ų33.90%018%0.178CC..EExtended strand (participates in β ladder)trans-123.9130163.660.1-178.828.300108.9S194 C197 V229 M239 P247 V248 L249S194-Q237 PolarHBondContact O-NE2 2.91Å; C197-Q237 HydrophobicContact CB-CB 4.08Å; V229-Q237 HydrophobicContact CB-CG 3.79Å; V229-Q237 HydrophobicContact CG2-CG 4.14Å; V229-Q237 PolarHBondContact N-O 3.34Å; V229-Q237 PolarHBondContact O-N 2.93Å; Q237-M239 HydrophobicContact CG-CG 4.33Å; Q237-M239 HydrophobicContact CG-SD 4.29Å; Q237-M239 PolarHBondContact NE2-SD 3.46Å; Q237-M239 VanDerWaalsContact NE2-SD 3.35Å; Q237-P247 HydrophobicContact CB-CB 4.47Å; Q237-V248 CarbonylContact C-O 3.56Å; Q237-V248 WeakPolarHBondContact CA-O 3.24Å; Q237-L249 HydrophobicContact CB-CD2 3.98Å
238L93.3Very high92Very high0 Ų035.8 Ų35.80%019%0.189CC..EExtended strand (participates in β ladder)trans-104.2124.8173-45.3179.4000108.1P225 L227 A228 P247 V248 L250 W261 L268 P289P225-L238 HydrophobicContact CB-CB 3.79Å; L227-L238 CarbonylContact O-C 3.58Å; L227-L238 WeakPolarHBondContact O-CA 3.31Å; A228-L238 HydrophobicContact CB-CD2 3.71Å; L238-P247 CarbonylContact O-C 3.57Å; L238-P247 WeakPolarHBondContact O-CA 3.4Å; L238-P247 WeakPolarHBondContact O-CB 3.18Å; L238-V248 HydrophobicContact CB-CB 4.15Å; L238-V248 PolarHBondContact N-O 2.96Å; L238-V248 PolarHBondContact O-N 3.05Å; L238-L250 HydrophobicContact CD1-CD1 3.73Å; L238-L250 HydrophobicContact CD2-CD1 4.21Å; L238-L250 HydrophobicContact CG-CD1 3.87Å; L238-W261 HydrophobicContact CD2-CZ2 4.21Å; L238-L268 HydrophobicContact CD2-CD2 3.63Å; L238-P289 WeakPolarHBondContact CD1-O 3.46Å
239M91.4Very high92Very high2 Ų240.1 Ų40.11%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-124.9146.1-171.9-45.3-174.96200110M193 P225 S226 L227 Q237 N241 D244 P247M193-M239 HydrophobicContact CE-SD 4.14Å; M193-M239 HydrophobicContact CG-CE 4.37Å; M193-M239 HydrophobicContact CG-SD 4.41Å; M193-M239 HydrophobicContact SD-CE 4.38Å; M193-M239 HydrophobicContact SD-SD 3.84Å; P225-M239 CarbonylContact C-O 3.6Å; P225-M239 WeakPolarHBondContact CA-O 3.47Å; S226-M239 PolarHBondContact N-O 3.15Å; L227-M239 HydrophobicContact CB-CB 4.26Å; L227-M239 HydrophobicContact CD2-CB 4.47Å; L227-M239 HydrophobicContact CD2-SD 4.37Å; L227-M239 PolarHBondContact N-O 3.04Å; L227-M239 PolarHBondContact O-N 3Å; Q237-M239 HydrophobicContact CG-CG 4.33Å; Q237-M239 HydrophobicContact CG-SD 4.29Å; Q237-M239 PolarHBondContact NE2-SD 3.46Å; Q237-M239 VanDerWaalsContact NE2-SD 3.35Å; M239-N241 VanDerWaalsContact C-N 3.33Å; M239-N241 VanDerWaalsContact CB-O 3.28Å; M239-N241 WeakPolarHBondContact CB-O 3.24Å; M239-D244 WeakPolarHBondContact CA-OD2 3.34Å; M239-D244 HydrophobicContact CB-CB 3.94Å; M239-D244 HydrophobicContact CE-CB 3.85Å; M239-D244 WeakPolarHBondContact CE-O 3.36Å; M239-P247 HydrophobicContact CB-CB 4.38Å; M239-P247 HydrophobicContact CG-CB 3.75Å
240I88Confident91.8Very high42 Ų4240.9 Ų40.922%0.21522%0.216CC..SBendtrans-62.6-46172.8-62.2171.4000109.7M223 S226 D244M223-I240 HydrophobicContact CE-CD1 4.49Å; S226-I240 PolarHBondContact OG-O 3.46Å; I240-D244 PolarHBondContact N-OD2 3.19Å
241N87Confident91.7Very high64 Ų6445.3 Ų45.334%0.34224%0.24SC..SBendtrans-150.7-176.2175.762.237.7000109.6W212 M239 E243 D244W212-N241 HydrophobicContact CZ2-CB 4.22Å; M239-N241 VanDerWaalsContact C-N 3.33Å; M239-N241 VanDerWaalsContact CB-O 3.28Å; M239-N241 WeakPolarHBondContact CB-O 3.24Å; N241-E243 PolarHBondContact O-N 3Å; N241-E243 WeakPolarHBondContact OD1-CA 3.19Å; N241-E243 PolarHBondContact OD1-N 3.41Å; N241-D244 WeakPolarHBondContact O-CB 3.48Å; N241-D244 PolarHBondContact O-N 2.95Å; N241-D244 PolarHBondContact OD1-N 3.23Å; N241-D244 VanDerWaalsContact OD1-N 3.11Å
242H88Confident91.5Very high30 Ų3045.7 Ų45.714%0.13924%0.242CC..THydrogen-bonded Turntrans-70.4-10.6-179.367.7-80.2000114.9L172 M193 W212 L227L172-H242 HydrophobicContact CD2-CB 4.11Å; M193-H242 WeakPolarHBondContact CG-O 3.32Å; M193-H242 HydrophobicContact SD-CB 4.05Å; W212-H242 HydrophobicContact CH2-CB 4.1Å; W212-H242 AromaticContact CH2-ND1 3.59Å; L227-H242 HydrophobicContact CD2-CB 4.32Å
243E88.9Confident91.4Very high132 Ų13247.2 Ų47.262%0.61726%0.263SS*.THydrogen-bonded Turntrans-1066.6179.8-56.4-172146.200112.7N241 P245N241-E243 PolarHBondContact O-N 3Å; N241-E243 WeakPolarHBondContact OD1-CA 3.19Å; N241-E243 PolarHBondContact OD1-N 3.41Å; E243-P245 VanDerWaalsContact O-CD 3.31Å; E243-P245 WeakPolarHBondContact O-CD 3.42Å
244D88.2Confident91.4Very high14 Ų1444.3 Ų44.38%0.07525%0.245CC..  trans-62.8117.5-174.9-170.8-2.4000112M239 I240 N241 D246M239-D244 WeakPolarHBondContact CA-OD2 3.34Å; M239-D244 HydrophobicContact CB-CB 3.94Å; M239-D244 HydrophobicContact CE-CB 3.85Å; M239-D244 WeakPolarHBondContact CE-O 3.36Å; I240-D244 PolarHBondContact N-OD2 3.19Å; N241-D244 WeakPolarHBondContact O-CB 3.48Å; N241-D244 PolarHBondContact O-N 2.95Å; N241-D244 PolarHBondContact OD1-N 3.23Å; N241-D244 VanDerWaalsContact OD1-N 3.11Å; D244-D246 PolarHBondContact OD1-N 3.34Å
245P88.8Confident91.4Very high101 Ų10149 Ų4966%0.65627%0.268SS*.SBendtrans-79.1-17.2178.533-35.4000113.5E243 P247E243-P245 VanDerWaalsContact O-CD 3.31Å; E243-P245 WeakPolarHBondContact O-CD 3.42Å; P245-P247 VanDerWaalsContact C-CD 3.48Å
246D88.4Confident91.5Very high140 Ų14045.3 Ų45.375%0.74925%0.254SS*.SBendtrans-129.465.5-173.6-16930.5000112.7D244D244-D246 PolarHBondContact OD1-N 3.34Å
247P91.4Very high91.5Very high13 Ų1347.9 Ų47.98%0.08427%0.269CS..PPolyproline II helixtrans-79.3152.7-176.432.7-35.1000113.1Y196 Q237 L238 M239 P245 L249Y196-P247 HydrophobicContact CD2-CG 3.41Å; Y196-P247 VanDerWaalsContact CD2-CG 3.41Å; Y196-P247 HydrophobicContact CE2-CG 3.87Å; Y196-P247 HydrophobicContact CG-CG 4.19Å; Q237-P247 HydrophobicContact CB-CB 4.47Å; L238-P247 CarbonylContact O-C 3.57Å; L238-P247 WeakPolarHBondContact O-CA 3.4Å; L238-P247 WeakPolarHBondContact O-CB 3.18Å; M239-P247 HydrophobicContact CB-CB 4.38Å; M239-P247 HydrophobicContact CG-CB 3.75Å; P245-P247 VanDerWaalsContact C-CD 3.48Å; P247-L249 HydrophobicContact CG-CD2 4.07Å; P247-L249 PolarHBondContact O-N 3.41Å
248V91.7Very high91.5Very high39 Ų3948.6 Ų48.624%0.23628%0.275CS..EExtended strand (participates in β ladder)trans-74.4117.5174.1178.60000109.5P225 Q237 L238 L250 F290P225-V248 HydrophobicContact CG-CG2 4.1Å; Q237-V248 CarbonylContact C-O 3.56Å; Q237-V248 WeakPolarHBondContact CA-O 3.24Å; L238-V248 HydrophobicContact CB-CB 4.15Å; L238-V248 PolarHBondContact N-O 2.96Å; L238-V248 PolarHBondContact O-N 3.05Å; V248-L250 HydrophobicContact CG1-CD2 4.48Å; V248-L250 HydrophobicContact CG1-CG 4.5Å; V248-F290 VanDerWaalsContact CG1-O 3.26Å; V248-F290 WeakPolarHBondContact CG1-O 3.32Å
249L94Very high91.6Very high91 Ų9149.2 Ų49.248%0.47628%0.279SS..EExtended strand (participates in β ladder)trans-95126-179.3-49.9-176.6000110.9C197 Q237 P247C197-L249 HydrophobicContact CB-CD2 3.98Å; Q237-L249 HydrophobicContact CB-CD2 3.98Å; P247-L249 HydrophobicContact CG-CD2 4.07Å; P247-L249 PolarHBondContact O-N 3.41Å
250L92.4Very high91.7Very high16 Ų1650 Ų508%0.08428%0.284CS..EExtended strand (participates in β ladder)trans-115.2139.4-178.6-68.1174.7000111.8R235 C236 L238 V248 Y287 G291R235-L250 WeakPolarHBondContact CA-O 3.28Å; C236-L250 HydrophobicContact CB-CB 4Å; C236-L250 HydrophobicContact CB-CD1 4.37Å; C236-L250 PolarHBondContact N-O 3.48Å; C236-L250 PolarHBondContact O-N 2.93Å; L238-L250 HydrophobicContact CD1-CD1 3.73Å; L238-L250 HydrophobicContact CD2-CD1 4.21Å; L238-L250 HydrophobicContact CG-CD1 3.87Å; V248-L250 HydrophobicContact CG1-CD2 4.48Å; V248-L250 HydrophobicContact CG1-CG 4.5Å; L250-Y287 HydrophobicContact CD1-CD1 4.35Å; L250-Y287 HydrophobicContact CD1-CG 4.41Å; L250-Y287 HydrophobicContact CD2-CD1 4.27Å; L250-Y287 HydrophobicContact CD2-CE1 4.34Å; L250-G291 WeakPolarHBondContact CD2-O 3.46Å
251N93.3Very high91.8Very high94 Ų9448.2 Ų48.250%0.50328%0.275SS..EExtended strand (participates in β ladder)trans-120.3106.9166.4-174.99.8000108.7R235R235-N251 PolarHBondContact NH1-ND2 3.42Å
252T92.3Very high91.8Very high8 Ų845.5 Ų45.55%0.04926%0.26CS..  trans-83.6-20.2-172.361.30000112.9G234 I254 I256 V270 Q285 Y287G234-T252 VanDerWaalsContact CA-OG1 3.24Å; G234-T252 WeakPolarHBondContact CA-OG1 3.4Å; G234-T252 PolarHBondContact O-N 3.39Å; G234-T252 PolarHBondContact O-OG1 3.45Å; T252-I254 PolarHBondContact O-N 3.3Å; T252-I254 WeakPolarHBondContact OG1-CG1 3.47Å; T252-I256 HydrophobicContact CG2-CD1 4.21Å; T252-V270 HydrophobicContact CG2-CG1 4.24Å; T252-Q285 VanDerWaalsContact CB-OE1 3.3Å; T252-Q285 PolarHBondContact O-NE2 3.2Å; T252-Q285 PolarHBondContact O-OE1 3.48Å; T252-Y287 HydrophobicContact CG2-CE2 4.07Å
253G91Very high91.4Very high56 Ų5646.3 Ų46.358%0.57726%0.264SS*.SBendtrans68.712-175.800000114.3
254I93.3Very high90.8Very high5 Ų544.1 Ų44.13%0.02626%0.256CS..SBendtrans-123151.5178.368.4176000110.3G234 T252 I256 V270 Q274 V283 Q285G234-I254 WeakPolarHBondContact CA-O 3.47Å; G234-I254 PolarHBondContact N-O 2.93Å; T252-I254 PolarHBondContact O-N 3.3Å; T252-I254 WeakPolarHBondContact OG1-CG1 3.47Å; I254-I256 HydrophobicContact CG1-CG1 4.13Å; I254-I256 PolarHBondContact O-N 2.93Å; I254-V270 HydrophobicContact CD1-CG1 4.41Å; I254-Q274 HydrophobicContact CG2-CB 3.94Å; I254-Q274 HydrophobicContact CG2-CG 4.21Å; I254-V283 HydrophobicContact CB-CG2 4.46Å; I254-V283 HydrophobicContact CD1-CG2 3.99Å; I254-V283 HydrophobicContact CG2-CG2 3.72Å; I254-Q285 HydrophobicContact CD1-CG 4.44Å
255Q94.2Very high90.3Very high99 Ų9943.9 Ų43.946%0.46326%0.258SS..EExtended strand (participates in β ladder)trans-76.6107.2168.1-173.9177.8-0.400108.3D232 G272 T273 M275D232-Q255 CarbonylContact O-C 3.58Å; D232-Q255 VanDerWaalsContact O-CA 3.3Å; D232-Q255 WeakPolarHBondContact O-CA 3.31Å; D232-Q255 WeakPolarHBondContact O-CG 3.24Å; Q255-G272 CarbonylContact O-C 3.52Å; Q255-G272 WeakPolarHBondContact O-CA 3.3Å; Q255-T273 PolarHBondContact N-O 3.48Å; Q255-T273 PolarHBondContact O-N 3.07Å; Q255-M275 HydrophobicContact CB-CE 4.45Å
256I95.6Very high89.8Confident5 Ų541.3 Ų41.33%0.02624%0.242CC..EExtended strand (participates in β ladder)trans-73.9135.1-170.7-56.8176.3000109.5V208 C230 Y231 D232 C236 T252 I254 V270V208-I256 HydrophobicContact CB-CG2 4.35Å; V208-I256 HydrophobicContact CG1-CG2 3.87Å; V208-I256 WeakPolarHBondContact CG2-O 3.15Å; C230-I256 HydrophobicContact CB-CD1 3.97Å; C230-I256 HydrophobicContact CB-CG2 4.35Å; Y231-I256 WeakPolarHBondContact O-CD1 3.42Å; D232-I256 PolarHBondContact O-N 3.03Å; D232-I256 VanDerWaalsContact O-N 3.09Å; C236-I256 WeakPolarHBondContact SG-CD1 3.31Å; T252-I256 HydrophobicContact CG2-CD1 4.21Å; I254-I256 HydrophobicContact CG1-CG1 4.13Å; I254-I256 PolarHBondContact O-N 2.93Å; I256-V270 HydrophobicContact CB-CG1 4.43Å; I256-V270 HydrophobicContact CD1-CG1 3.64Å; I256-V270 HydrophobicContact CG1-CG1 3.79Å; I256-V270 HydrophobicContact CG2-CG1 3.77Å
257T95.2Very high89.8Confident54 Ų5435.3 Ų35.333%0.33121%0.209SC..EExtended strand (participates in β ladder)trans-111.7-34.4175.2-49.50000112.4V208 A271 L304V208-T257 WeakPolarHBondContact CG1-O 3.44Å; T257-A271 PolarHBondContact N-O 2.87Å; T257-L304 WeakPolarHBondContact CG2-O 3.41Å
258C94.9Very high89.8Confident16 Ų1634.7 Ų34.711%0.10821%0.205CC..EExtended strand (participates in β ladder)trans-156.9158.4175.345.40000110.7A271 A306 C307C258-A271 PolarHBondContact N-O 3.37Å; C258-A271 VanDerWaalsContact N-O 3.12Å; C258-A271 PolarHBondContact O-N 3.02Å; C258-A271 VanDerWaalsContact O-O 3.13Å; C258-A306 VanDerWaalsContact SG-C 3.58Å; C258-C307 PolarHBondContact SG-N 3.46Å
259S95.5Very high90Very high13 Ų1332.8 Ų32.89%0.09119%0.194CC..EExtended strand (participates in β ladder)trans-144.9154.4167.279.40000110.7S209 C230 A269S209-S259 WeakPolarHBondContact CB-OG 3.26Å; S209-S259 PolarHBondContact OG-OG 3.33Å; C230-S259 PolarHBondContact SG-OG 3.34Å; S259-A269 CarbonylContact C-O 3.57Å; S259-A269 WeakPolarHBondContact CA-O 3.42Å; S259-A269 WeakPolarHBondContact CB-O 3.33Å
260C93.8Very high90.1Very high17 Ų1728.5 Ų28.512%0.11517%0.172CC..EExtended strand (participates in β ladder)trans-155.2139.5171.556.50000112.3D211 A269 C307 W309D211-C260 WeakPolarHBondContact OD2-CA 3.32Å; C260-A269 PolarHBondContact N-O 3.36Å; C260-A269 PolarHBondContact O-N 3.5Å; C260-C307 PolarHBondContact SG-O 3.39Å; C260-W309 PolarHBondContact O-NE1 2.97Å
261W91Very high90.3Very high6 Ų627.7 Ų27.72%0.02317%0.168CC..EExtended strand (participates in β ladder)trans-68.7142.5167.2-73.4107.1000110.5D211 S226 A228 L238 L268 P289D211-W261 PolarHBondContact O-NE1 3.3Å; D211-W261 PolarHBondContact OD2-N 2.61Å; S226-W261 PolarHBondContact O-NE1 3.14Å; A228-W261 HydrophobicContact CB-CZ2 4.02Å; L238-W261 HydrophobicContact CD2-CZ2 4.21Å; W261-L268 HydrophobicContact CD2-CB 4.21Å; W261-L268 HydrophobicContact CD2-CD1 3.88Å; W261-L268 HydrophobicContact CE3-CB 3.87Å; W261-L268 HydrophobicContact CE3-CD1 4.39Å; W261-L268 HydrophobicContact CG-CD1 4.03Å; W261-L268 HydrophobicContact CH2-CB 4.05Å; W261-L268 HydrophobicContact CZ2-CB 4.37Å; W261-L268 HydrophobicContact CZ2-CD1 4.46Å; W261-L268 HydrophobicContact CZ3-CB 3.79Å; W261-P289 HydrophobicContact CH2-CB 4.18Å; W261-P289 HydrophobicContact CH2-CG 4.32Å; W261-P289 HydrophobicContact CZ3-CB 4.42Å; W261-P289 HydrophobicContact CZ3-CG 4.06Å
262N86.2Confident90.4Very high7 Ų723.2 Ų23.24%0.03714%0.144CC..  trans-70.3173.2163.771.4-15.7000111D264 G265 S266 M267 W309N262-D264 PolarHBondContact ND2-OD1 3.46Å; N262-D264 PolarHBondContact O-N 3.11Å; N262-D264 PolarHBondContact OD1-OD1 3.05Å; N262-G265 PolarHBondContact O-N 2.99Å; N262-G265 WeakPolarHBondContact OD1-CA 3.44Å; N262-G265 PolarHBondContact OD1-N 3.4Å; N262-G265 VanDerWaalsContact OD1-N 3.13Å; N262-S266 PolarHBondContact ND2-OG 3.46Å; N262-S266 PolarHBondContact OD1-N 2.97Å; N262-M267 PolarHBondContact N-O 3.26Å; N262-M267 WeakPolarHBondContact ND2-CE 3.42Å; N262-M267 PolarHBondContact ND2-N 2.9Å; N262-M267 PolarHBondContact OD1-N 3.45Å; N262-M267 PolarHBondContact OD1-O 2.91Å; N262-W309 HydrophobicContact CB-CD2 3.72Å; N262-W309 HydrophobicContact CB-CE3 4.07Å; N262-W309 HydrophobicContact CB-CG 4.03Å; N262-W309 HydrophobicContact CB-CH2 4.35Å; N262-W309 HydrophobicContact CB-CZ2 4.06Å; N262-W309 HydrophobicContact CB-CZ3 4.36Å
263E80.3Confident90.5Very high47 Ų4723.9 Ų23.922%0.2215%0.148CC..THydrogen-bonded Turntrans-73.2-26.6-170-175-171-153.200115.2Y213 G311 N312 G313Y213-E263 WeakPolarHBondContact CE2-O 3.36Å; Y213-E263 PolarHBondContact OH-O 2.74Å; E263-G311 VanDerWaalsContact CD-CA 3.49Å; E263-G311 WeakPolarHBondContact OE2-CA 3.47Å; E263-N312 PolarHBondContact OE1-N 3.26Å; E263-N312 VanDerWaalsContact OE2-CA 3.28Å; E263-N312 WeakPolarHBondContact OE2-CA 3.5Å; E263-N312 PolarHBondContact OE2-N 3Å; E263-G313 PolarHBondContact OE2-N 2.86Å
264D74.8Confident90.5Very high85 Ų8525 Ų2546%0.45514%0.138SC..THydrogen-bonded Turntrans-92.4-4.1175.867-8.4000112.4Y213 N262 S266Y213-D264 VanDerWaalsContact OH-C 3.27Å; Y213-D264 PolarHBondContact OH-O 3.11Å; N262-D264 PolarHBondContact ND2-OD1 3.46Å; N262-D264 PolarHBondContact O-N 3.11Å; N262-D264 PolarHBondContact OD1-OD1 3.05Å; D264-S266 PolarHBondContact O-N 3.3Å; D264-S266 WeakPolarHBondContact OD1-CB 3.27Å; D264-S266 PolarHBondContact OD1-N 2.9Å; D264-S266 PolarHBondContact OD1-OG 3.49Å; D264-S266 WeakPolarHBondContact OD2-CB 3.5Å; D264-S266 PolarHBondContact OD2-OG 3.2Å
265G79.4Confident89.9Confident10 Ų1029.8 Ų29.810%0.10316%0.161CC..SBendtrans70.113.8-176.800000113.6N262 P289N262-G265 PolarHBondContact O-N 2.99Å; N262-G265 WeakPolarHBondContact OD1-CA 3.44Å; N262-G265 PolarHBondContact OD1-N 3.4Å; N262-G265 VanDerWaalsContact OD1-N 3.13Å; G265-P289 WeakPolarHBondContact O-CG 3.38Å
266S78Confident88.9Confident47 Ų4728.2 Ų28.233%0.32916%0.161SC..SBendtrans-80-17.6179.767.90000113.6N262 D264 P289N262-S266 PolarHBondContact ND2-OG 3.46Å; N262-S266 PolarHBondContact OD1-N 2.97Å; D264-S266 PolarHBondContact O-N 3.3Å; D264-S266 WeakPolarHBondContact OD1-CB 3.27Å; D264-S266 PolarHBondContact OD1-N 2.9Å; D264-S266 PolarHBondContact OD1-OG 3.49Å; D264-S266 WeakPolarHBondContact OD2-CB 3.5Å; D264-S266 PolarHBondContact OD2-OG 3.2Å; S266-P289 WeakPolarHBondContact O-CD 3.46Å
267M87Confident87.7Confident13 Ų1333 Ų336%0.06420%0.202CC..  trans-145.4135-177.2-61.8180-73.600112.5M1 N262 Y287 L294 W309 L315M1-M267 HydrophobicContact CE-CE 4.2Å; M1-M267 HydrophobicContact CE-SD 3.34Å; M1-M267 WeakPolarHBondContact CE-SD 3.35Å; M1-M267 HydrophobicContact SD-SD 3.9Å; N262-M267 PolarHBondContact N-O 3.26Å; N262-M267 WeakPolarHBondContact ND2-CE 3.42Å; N262-M267 PolarHBondContact ND2-N 2.9Å; N262-M267 PolarHBondContact OD1-N 3.45Å; N262-M267 PolarHBondContact OD1-O 2.91Å; M267-Y287 CarbonylContact C-O 3.59Å; M267-Y287 VanDerWaalsContact CA-O 3.29Å; M267-Y287 WeakPolarHBondContact CA-O 3.4Å; M267-L294 HydrophobicContact CG-CD1 3.8Å; M267-L294 HydrophobicContact SD-CD1 4.12Å; M267-W309 HydrophobicContact CE-CH2 4.22Å; M267-L315 HydrophobicContact CE-CD2 3.95Å
268L91.9Very high86.5Confident0 Ų037.7 Ų37.70%023%0.225CC..EExtended strand (participates in β ladder)trans-101.6121.9168-178.968000109.1A228 L238 W261 V270 F286 Y287A228-L268 HydrophobicContact CB-CD1 4.07Å; A228-L268 HydrophobicContact CB-CD2 3.95Å; L238-L268 HydrophobicContact CD2-CD2 3.63Å; W261-L268 HydrophobicContact CD2-CB 4.21Å; W261-L268 HydrophobicContact CD2-CD1 3.88Å; W261-L268 HydrophobicContact CE3-CB 3.87Å; W261-L268 HydrophobicContact CE3-CD1 4.39Å; W261-L268 HydrophobicContact CG-CD1 4.03Å; W261-L268 HydrophobicContact CH2-CB 4.05Å; W261-L268 HydrophobicContact CZ2-CB 4.37Å; W261-L268 HydrophobicContact CZ2-CD1 4.46Å; W261-L268 HydrophobicContact CZ3-CB 3.79Å; L268-V270 HydrophobicContact CD2-CG2 3.83Å; L268-V270 HydrophobicContact CG-CG2 3.9Å; L268-F286 WeakPolarHBondContact O-CA 3.34Å; L268-Y287 PolarHBondContact N-O 3.2Å; L268-Y287 PolarHBondContact O-N 3.47Å
269A95.2Very high85.8Confident0 Ų046.4 Ų46.40%026%0.255CS..EExtended strand (participates in β ladder)trans-87.7124.4167.600000109.1S259 C260 V284 F286 W309 L317S259-A269 CarbonylContact C-O 3.57Å; S259-A269 WeakPolarHBondContact CA-O 3.42Å; S259-A269 WeakPolarHBondContact CB-O 3.33Å; C260-A269 PolarHBondContact N-O 3.36Å; C260-A269 PolarHBondContact O-N 3.5Å; A269-V284 HydrophobicContact CB-CG1 4.07Å; A269-F286 HydrophobicContact CB-CD1 4.02Å; A269-F286 HydrophobicContact CB-CE1 3.87Å; A269-W309 HydrophobicContact CB-CZ2 3.84Å; A269-L317 HydrophobicContact CB-CD1 4.4Å
270V96.7Very high85.3Confident0 Ų050.5 Ų50.50%028%0.276CS..EExtended strand (participates in β ladder)trans-118.2113.8173.5-173.60000108.2T252 I254 I256 L268 Q285 Y287T252-V270 HydrophobicContact CG2-CG1 4.24Å; I254-V270 HydrophobicContact CD1-CG1 4.41Å; I256-V270 HydrophobicContact CB-CG1 4.43Å; I256-V270 HydrophobicContact CD1-CG1 3.64Å; I256-V270 HydrophobicContact CG1-CG1 3.79Å; I256-V270 HydrophobicContact CG2-CG1 3.77Å; L268-V270 HydrophobicContact CD2-CG2 3.83Å; L268-V270 HydrophobicContact CG-CG2 3.9Å; V270-Q285 PolarHBondContact N-O 3.45Å; V270-Q285 PolarHBondContact O-N 3.48Å; V270-Y287 HydrophobicContact CB-CD2 4.49Å; V270-Y287 HydrophobicContact CB-CE2 4.38Å; V270-Y287 HydrophobicContact CG2-CD2 4Å; V270-Y287 HydrophobicContact CG2-CE2 4.27Å
271A96.9Very high85.1Confident0 Ų052.8 Ų52.80%029%0.287CS..EExtended strand (participates in β ladder)trans-114.6137.6-172.800000110.4T257 C258 V283 V284 L304 C307T257-A271 PolarHBondContact N-O 2.87Å; C258-A271 PolarHBondContact N-O 3.37Å; C258-A271 VanDerWaalsContact N-O 3.12Å; C258-A271 PolarHBondContact O-N 3.02Å; C258-A271 VanDerWaalsContact O-O 3.13Å; A271-V283 WeakPolarHBondContact CA-O 3.03Å; A271-V284 HydrophobicContact CB-CB 4.37Å; A271-V284 HydrophobicContact CB-CG1 4.17Å; A271-V284 HydrophobicContact CB-CG2 3.86Å; A271-L304 HydrophobicContact CB-CD2 3.61Å; A271-C307 HydrophobicContact CB-CB 4.3Å
272G95.3Very high85.2Confident0 Ų052.6 Ų52.60%029%0.286CS..EExtended strand (participates in β ladder)trans-175.8-168.1-174.300000113.5Q255 N282 V283 L304Q255-G272 CarbonylContact O-C 3.52Å; Q255-G272 WeakPolarHBondContact O-CA 3.3Å; G272-N282 WeakPolarHBondContact O-CA 3.34Å; G272-V283 PolarHBondContact N-O 2.74Å; G272-V283 PolarHBondContact O-N 3.18Å; G272-L304 VanDerWaalsContact N-CD2 3.34Å
273T94.3Very high85.6Confident22 Ų2252.3 Ų52.314%0.13528%0.284CS..EExtended strand (participates in β ladder)trans-108.4120.7-178.4-55.40000110Q255 M275 N280 N282Q255-T273 PolarHBondContact N-O 3.48Å; Q255-T273 PolarHBondContact O-N 3.07Å; T273-M275 HydrophobicContact CG2-CE 4.13Å; T273-M275 HydrophobicContact CG2-SD 4.47Å; T273-N280 HydrophobicContact CG2-CB 3.64Å; T273-N282 PolarHBondContact OG1-OD1 2.94Å
274Q90.4Very high86.3Confident80 Ų8050 Ų5037%0.37427%0.274SS..EExtended strand (participates in β ladder)trans-85.9121.1169.8-167172.214.900109.2I254 S276 I281 V283I254-Q274 HydrophobicContact CG2-CB 3.94Å; I254-Q274 HydrophobicContact CG2-CG 4.21Å; Q274-S276 PolarHBondContact O-N 2.89Å; Q274-I281 PolarHBondContact N-O 3.49Å; Q274-I281 PolarHBondContact O-N 2.94Å; Q274-I281 VanDerWaalsContact O-N 3.09Å; Q274-V283 HydrophobicContact CB-CG1 4.3Å; Q274-V283 HydrophobicContact CB-CG2 4.27Å
275M82Confident87.3Confident104 Ų10446.6 Ų46.651%0.51226%0.255SS..EExtended strand (participates in β ladder)trans-81114.1176.9-60.8-66.9170.500108.7Q255 T273 N280Q255-M275 HydrophobicContact CB-CE 4.45Å; T273-M275 HydrophobicContact CG2-CE 4.13Å; T273-M275 HydrophobicContact CG2-SD 4.47Å; M275-N280 PolarHBondContact SD-ND2 3.49Å; M275-N280 VanDerWaalsContact SD-ND2 3.38Å; M275-N280 PolarHBondContact SD-OD1 2.86Å
276S72.6Confident88Confident66 Ų6646.1 Ų46.146%0.46225%0.25SS..  trans-114.9156.5169.6-178.60000109.3Q274 D278 R279Q274-S276 PolarHBondContact O-N 2.89Å; S276-D278 PolarHBondContact O-N 3.35Å; S276-D278 VanDerWaalsContact O-N 3.12Å; S276-R279 WeakPolarHBondContact CB-O 3.38Å
277A70.2Confident88.6Confident106 Ų10644.5 Ų44.588%0.87624%0.237SC*.SBendtrans-55.5-32.2-175.600000113.3
278D70.6Confident88.6Confident152 Ų15245.2 Ų45.281%0.81324%0.241SC*.SBendtrans-96.3-41.8-175-65.7-31.5000113.5S276S276-D278 PolarHBondContact O-N 3.35Å; S276-D278 VanDerWaalsContact O-N 3.12Å
279R79.4Confident88.2Confident199 Ų19946 Ų4675%0.75125%0.246SC*.  trans-154.7143.3-173.4-63.9-173.4-177.4174.61.8111.6S276S276-R279 WeakPolarHBondContact CB-O 3.38Å
280N84.3Confident87.7Confident99 Ų9950.6 Ų50.653%0.52927%0.266SS..EExtended strand (participates in β ladder)trans-75.6127168.9-691.5000109.5T273 M275T273-N280 HydrophobicContact CG2-CB 3.64Å; M275-N280 PolarHBondContact SD-ND2 3.49Å; M275-N280 VanDerWaalsContact SD-ND2 3.38Å; M275-N280 PolarHBondContact SD-OD1 2.86Å
281I89.7Confident87.1Confident66 Ų6651.2 Ų51.234%0.33827%0.272SS..EExtended strand (participates in β ladder)trans-117.4126.8-177.5-56.7170.9000108.4Q274 V283 L298Q274-I281 PolarHBondContact N-O 3.49Å; Q274-I281 PolarHBondContact O-N 2.94Å; Q274-I281 VanDerWaalsContact O-N 3.09Å; I281-V283 HydrophobicContact CG2-CG1 4.08Å; I281-L298 HydrophobicContact CG2-CD2 4.06Å
282N94.3Very high86.6Confident2 Ų255.8 Ų55.81%0.01130%0.297CS..EExtended strand (participates in β ladder)trans-74.6133.2173.1-68.1-39.5000109.1G272 T273 L299 G301 K302 L304G272-N282 WeakPolarHBondContact O-CA 3.34Å; T273-N282 PolarHBondContact OG1-OD1 2.94Å; N282-L299 HydrophobicContact CB-CB 3.87Å; N282-L299 PolarHBondContact O-N 3.15Å; N282-G301 PolarHBondContact ND2-O 3.03Å; N282-K302 PolarHBondContact ND2-O 3.47Å; N282-L304 HydrophobicContact CB-CB 4.34Å
283V94.4Very high86.4Confident0 Ų060.2 Ų60.20%032%0.318CS..EExtended strand (participates in β ladder)trans-139.4154.8-178.4-55.80000111.4I254 A271 G272 Q274 I281 T296 L297 L298I254-V283 HydrophobicContact CB-CG2 4.46Å; I254-V283 HydrophobicContact CD1-CG2 3.99Å; I254-V283 HydrophobicContact CG2-CG2 3.72Å; A271-V283 WeakPolarHBondContact CA-O 3.03Å; G272-V283 PolarHBondContact N-O 2.74Å; G272-V283 PolarHBondContact O-N 3.18Å; Q274-V283 HydrophobicContact CB-CG1 4.3Å; Q274-V283 HydrophobicContact CB-CG2 4.27Å; I281-V283 HydrophobicContact CG2-CG1 4.08Å; V283-T296 HydrophobicContact CB-CG2 4Å; V283-T296 HydrophobicContact CG1-CG2 4.33Å; V283-L297 CarbonylContact C-O 3.43Å; V283-L297 VanDerWaalsContact CA-O 3.3Å; V283-L297 WeakPolarHBondContact CA-O 3.49Å; V283-L298 HydrophobicContact CG1-CD2 3.48Å; V283-L298 VanDerWaalsContact CG1-CD2 3.48Å
284V95.3Very high86Confident0 Ų061.8 Ų61.80%033%0.325CS..EExtended strand (participates in β ladder)trans-120.7121.8165.4-170.40000108.1A269 A271 F286 T296 L297 L299 L317 L319A269-V284 HydrophobicContact CB-CG1 4.07Å; A271-V284 HydrophobicContact CB-CB 4.37Å; A271-V284 HydrophobicContact CB-CG1 4.17Å; A271-V284 HydrophobicContact CB-CG2 3.86Å; V284-F286 HydrophobicContact CB-CE2 4.48Å; V284-F286 HydrophobicContact CB-CZ 4.27Å; V284-F286 HydrophobicContact CG1-CE1 3.87Å; V284-F286 HydrophobicContact CG1-CE2 4.25Å; V284-F286 HydrophobicContact CG1-CZ 3.73Å; V284-T296 CarbonylContact O-C 3.56Å; V284-T296 WeakPolarHBondContact O-CA 3.19Å; V284-L297 PolarHBondContact N-O 2.64Å; V284-L297 PolarHBondContact O-N 3.05Å; V284-L299 HydrophobicContact CG2-CD1 3.59Å; V284-L299 HydrophobicContact CG2-CD2 4.36Å; V284-L299 HydrophobicContact CG2-CG 4.08Å; V284-L317 HydrophobicContact CG1-CD2 4.14Å; V284-L319 HydrophobicContact CG2-CD1 3.91Å; V284-L319 HydrophobicContact CG2-CD2 3.66Å; V284-L319 HydrophobicContact CG2-CG 4.43Å
285Q95Very high86Confident13 Ų1359.2 Ų59.26%0.06131%0.314CS..EExtended strand (participates in β ladder)trans-101.2135.7173.3-66.6175-19.500109.1T252 I254 V270 Y287 T296T252-Q285 VanDerWaalsContact CB-OE1 3.3Å; T252-Q285 PolarHBondContact O-NE2 3.2Å; T252-Q285 PolarHBondContact O-OE1 3.48Å; I254-Q285 HydrophobicContact CD1-CG 4.44Å; V270-Q285 PolarHBondContact N-O 3.45Å; V270-Q285 PolarHBondContact O-N 3.48Å; Q285-Y287 HydrophobicContact CB-CD2 4.31Å; Q285-Y287 HydrophobicContact CB-CE2 3.55Å; Q285-Y287 PolarHBondContact OE1-OH 3.44Å; Q285-T296 HydrophobicContact CG-CG2 4.09Å
286F93.8Very high86.4Confident0 Ų056.5 Ų56.50%030%0.303CS..EExtended strand (participates in β ladder)trans-106.1131.5177.2-59.2-76.7000109.6L268 A269 V284 L294 N295 L297 W309 L317 L330L268-F286 WeakPolarHBondContact O-CA 3.34Å; A269-F286 HydrophobicContact CB-CD1 4.02Å; A269-F286 HydrophobicContact CB-CE1 3.87Å; V284-F286 HydrophobicContact CB-CE2 4.48Å; V284-F286 HydrophobicContact CB-CZ 4.27Å; V284-F286 HydrophobicContact CG1-CE1 3.87Å; V284-F286 HydrophobicContact CG1-CE2 4.25Å; V284-F286 HydrophobicContact CG1-CZ 3.73Å; F286-L294 HydrophobicContact CB-CB 4.21Å; F286-L294 WeakPolarHBondContact O-CB 3.36Å; F286-L294 PolarHBondContact O-N 3.01Å; F286-N295 HydrophobicContact CD2-CB 4.28Å; F286-N295 PolarHBondContact N-O 3.34Å; F286-L297 HydrophobicContact CE2-CB 4.25Å; F286-W309 HydrophobicContact CD1-CH2 4.16Å; F286-W309 HydrophobicContact CD1-CZ2 4.03Å; F286-W309 AromaticContact CE1-CH2 3.93Å; F286-W309 HydrophobicContact CE1-CH2 3.93Å; F286-W309 AromaticContact CE1-CZ2 3.88Å; F286-W309 HydrophobicContact CE1-CZ2 3.88Å; F286-L317 HydrophobicContact CE1-CD2 4.08Å; F286-L317 HydrophobicContact CZ-CD2 4.11Å; F286-L330 HydrophobicContact CD1-CD2 3.71Å; F286-L330 HydrophobicContact CD2-CD2 4.23Å; F286-L330 HydrophobicContact CE1-CD2 3.43Å; F286-L330 VanDerWaalsContact CE1-CD2 3.43Å; F286-L330 HydrophobicContact CE1-CG 4.48Å; F286-L330 HydrophobicContact CE2-CD2 3.96Å; F286-L330 HydrophobicContact CG-CD2 4.11Å; F286-L330 HydrophobicContact CZ-CD1 4.47Å; F286-L330 HydrophobicContact CZ-CD2 3.55Å; F286-L330 HydrophobicContact CZ-CG 4.25Å
287Y91.8Very high87.3Confident13 Ų1354 Ų545%0.05128%0.284CS..EExtended strand (participates in β ladder)trans-124.2147.6178.9-67.5-89.1000110.6L250 T252 M267 L268 V270 Q285 G291 N292 H293L250-Y287 HydrophobicContact CD1-CD1 4.35Å; L250-Y287 HydrophobicContact CD1-CG 4.41Å; L250-Y287 HydrophobicContact CD2-CD1 4.27Å; L250-Y287 HydrophobicContact CD2-CE1 4.34Å; T252-Y287 HydrophobicContact CG2-CE2 4.07Å; M267-Y287 CarbonylContact C-O 3.59Å; M267-Y287 VanDerWaalsContact CA-O 3.29Å; M267-Y287 WeakPolarHBondContact CA-O 3.4Å; L268-Y287 PolarHBondContact N-O 3.2Å; L268-Y287 PolarHBondContact O-N 3.47Å; V270-Y287 HydrophobicContact CB-CD2 4.49Å; V270-Y287 HydrophobicContact CB-CE2 4.38Å; V270-Y287 HydrophobicContact CG2-CD2 4Å; V270-Y287 HydrophobicContact CG2-CE2 4.27Å; Q285-Y287 HydrophobicContact CB-CD2 4.31Å; Q285-Y287 HydrophobicContact CB-CE2 3.55Å; Q285-Y287 PolarHBondContact OE1-OH 3.44Å; Y287-G291 WeakPolarHBondContact CD1-O 3.47Å; Y287-N292 VanDerWaalsContact CA-O 3.31Å; Y287-N292 WeakPolarHBondContact CA-O 3.49Å; Y287-H293 HydrophobicContact CD1-CB 4.11Å; Y287-H293 HydrophobicContact CE1-CB 3.73Å; Y287-H293 AromaticContact CZ-CD2 3.94Å
288N85.5Confident88.3Confident28 Ų2854 Ų5415%0.1527%0.269CS..  trans-79.5172.8165.377.13000110.6F290 G291 N292 L294N288-F290 PolarHBondContact O-N 3.39Å; N288-F290 VanDerWaalsContact O-N 3.09Å; N288-F290 WeakPolarHBondContact OD1-CA 3.4Å; N288-F290 PolarHBondContact OD1-N 3.13Å; N288-G291 PolarHBondContact O-N 3.39Å; N288-G291 PolarHBondContact OD1-N 3.31Å; N288-G291 VanDerWaalsContact OD1-N 3.12Å; N288-N292 PolarHBondContact N-O 2.82Å; N288-N292 PolarHBondContact ND2-ND2 3.41Å; N288-N292 WeakPolarHBondContact OD1-CB 3.44Å; N288-N292 PolarHBondContact OD1-N 3.23Å; N288-L294 HydrophobicContact CB-CD1 4.26Å; N288-L294 HydrophobicContact CB-CD2 4.25Å; N288-L294 HydrophobicContact CB-CG 4.43Å
289P84.2Confident89.3Confident15 Ų1547.3 Ų47.310%0.09723%0.233CC..THydrogen-bonded Turntrans-62.9-17.2-179.5-26.237.1000115.5P225 L238 W261 G265 S266 G291P225-P289 WeakPolarHBondContact CB-O 3.42Å; P225-P289 WeakPolarHBondContact CG-O 3.5Å; L238-P289 WeakPolarHBondContact CD1-O 3.46Å; W261-P289 HydrophobicContact CH2-CB 4.18Å; W261-P289 HydrophobicContact CH2-CG 4.32Å; W261-P289 HydrophobicContact CZ3-CB 4.42Å; W261-P289 HydrophobicContact CZ3-CG 4.06Å; G265-P289 WeakPolarHBondContact O-CG 3.38Å; S266-P289 WeakPolarHBondContact O-CD 3.46Å; P289-G291 VanDerWaalsContact C-N 3.33Å
290F84.2Confident89.9Confident97 Ų9740.5 Ų40.543%0.42522%0.215SC..THydrogen-bonded Turntrans-93.46.8177.9-52-73.4000112.9L224 V248 N288 N292 F355L224-F290 HydrophobicContact CD2-CE1 3.8Å; L224-F290 HydrophobicContact CD2-CE2 4.22Å; L224-F290 HydrophobicContact CD2-CZ 3.3Å; V248-F290 VanDerWaalsContact CG1-O 3.26Å; V248-F290 WeakPolarHBondContact CG1-O 3.32Å; N288-F290 PolarHBondContact O-N 3.39Å; N288-F290 VanDerWaalsContact O-N 3.09Å; N288-F290 WeakPolarHBondContact OD1-CA 3.4Å; N288-F290 PolarHBondContact OD1-N 3.13Å; F290-N292 VanDerWaalsContact C-N 3.33Å; F290-N292 PolarHBondContact O-N 3.46Å; F290-F355 AromaticContact CZ-CE1 3.95Å; F290-F355 HydrophobicContact CZ-CE1 3.95Å
291G85.7Confident90.1Very high13 Ų1337.6 Ų37.613%0.13421%0.208CC..  trans78.811.3178.700000115.1L250 Y287 N288 P289 H293L250-G291 WeakPolarHBondContact CD2-O 3.46Å; Y287-G291 WeakPolarHBondContact CD1-O 3.47Å; N288-G291 PolarHBondContact O-N 3.39Å; N288-G291 PolarHBondContact OD1-N 3.31Å; N288-G291 VanDerWaalsContact OD1-N 3.12Å; P289-G291 VanDerWaalsContact C-N 3.33Å; G291-H293 PolarHBondContact O-N 3.33Å
292N86.1Confident90Very high97 Ų9743.3 Ų43.352%0.51923%0.231SC..  trans-74.9128.1171.9-57.9-23000109.4Y287 N288 F290Y287-N292 VanDerWaalsContact CA-O 3.31Å; Y287-N292 WeakPolarHBondContact CA-O 3.49Å; N288-N292 PolarHBondContact N-O 2.82Å; N288-N292 PolarHBondContact ND2-ND2 3.41Å; N288-N292 WeakPolarHBondContact OD1-CB 3.44Å; N288-N292 PolarHBondContact OD1-N 3.23Å; F290-N292 VanDerWaalsContact C-N 3.33Å; F290-N292 PolarHBondContact O-N 3.46Å
293H90Very high89.8Confident93 Ų9346.3 Ų46.343%0.43125%0.251SS..EExtended strand (participates in β ladder)trans-68.2130.9173.2178.2-91.5000110.5Y287 G291 N295 T296Y287-H293 HydrophobicContact CD1-CB 4.11Å; Y287-H293 HydrophobicContact CE1-CB 3.73Å; Y287-H293 AromaticContact CZ-CD2 3.94Å; G291-H293 PolarHBondContact O-N 3.33Å; H293-N295 VanDerWaalsContact CE1-C 3.44Å; H293-N295 PolarHBondContact NE2-O 3.34Å; H293-T296 PolarHBondContact CE1-OG1 3.37Å; H293-T296 VanDerWaalsContact CE1-OG1 3.31Å; H293-T296 PolarHBondContact NE2-OG1 3Å
294L86.6Confident89.8Confident55 Ų5546.6 Ų46.629%0.28825%0.252SS..EExtended strand (participates in β ladder)trans-105.2-44.2-175.7-60.4179000112.9M1 M267 F286 N288M1-L294 HydrophobicContact CB-CB 4.49Å; M1-L294 HydrophobicContact SD-CB 3.86Å; M1-L294 HydrophobicContact SD-CD1 4.17Å; M267-L294 HydrophobicContact CG-CD1 3.8Å; M267-L294 HydrophobicContact SD-CD1 4.12Å; F286-L294 HydrophobicContact CB-CB 4.21Å; F286-L294 WeakPolarHBondContact O-CB 3.36Å; F286-L294 PolarHBondContact O-N 3.01Å; N288-L294 HydrophobicContact CB-CD1 4.26Å; N288-L294 HydrophobicContact CB-CD2 4.25Å; N288-L294 HydrophobicContact CB-CG 4.43Å
295N89.4Confident89.8Confident26 Ų2648.1 Ų48.114%0.13926%0.262CS..EExtended strand (participates in β ladder)trans-166.8159.3177.1-160.79.5000111.5M1 S3 F286 H293M1-N295 HydrophobicContact CB-CB 4.41Å; M1-N295 PolarHBondContact O-ND2 3.43Å; S3-N295 PolarHBondContact N-ND2 3.34Å; S3-N295 VanDerWaalsContact N-ND2 3.2Å; S3-N295 PolarHBondContact OG-ND2 3.23Å; F286-N295 HydrophobicContact CD2-CB 4.28Å; F286-N295 PolarHBondContact N-O 3.34Å; H293-N295 VanDerWaalsContact CE1-C 3.44Å; H293-N295 PolarHBondContact NE2-O 3.34Å
296T91.4Very high89.7Confident46 Ų4648 Ų4828%0.28226%0.263SS..EExtended strand (participates in β ladder)trans-120.9127.6169.6-58.40000110V283 V284 Q285 H293V283-T296 HydrophobicContact CB-CG2 4Å; V283-T296 HydrophobicContact CG1-CG2 4.33Å; V284-T296 CarbonylContact O-C 3.56Å; V284-T296 WeakPolarHBondContact O-CA 3.19Å; Q285-T296 HydrophobicContact CG-CG2 4.09Å; H293-T296 PolarHBondContact CE1-OG1 3.37Å; H293-T296 VanDerWaalsContact CE1-OG1 3.31Å; H293-T296 PolarHBondContact NE2-OG1 3Å
297L91.4Very high89.8Confident15 Ų1548.6 Ų48.68%0.07927%0.267CS..EExtended strand (participates in β ladder)trans-106.2123.2173.4179.762.5000110.4L5 V283 V284 F286 L299 A328L5-L297 HydrophobicContact CD2-CD2 4.07Å; L5-L297 HydrophobicContact CG-CD2 4.44Å; V283-L297 CarbonylContact C-O 3.43Å; V283-L297 VanDerWaalsContact CA-O 3.3Å; V283-L297 WeakPolarHBondContact CA-O 3.49Å; V284-L297 PolarHBondContact N-O 2.64Å; V284-L297 PolarHBondContact O-N 3.05Å; F286-L297 HydrophobicContact CE2-CB 4.25Å; L297-L299 HydrophobicContact CD2-CD2 4.09Å; L297-L299 HydrophobicContact CG-CD2 4.13Å; L297-A328 HydrophobicContact CD2-CB 3.62Å
298L91.5Very high89.9Confident106 Ų10648.8 Ų48.856%0.55527%0.269SS*.EExtended strand (participates in β ladder)trans-78.7134.5173.1-55.5-178.2000110.7I281 V283I281-L298 HydrophobicContact CG2-CD2 4.06Å; V283-L298 HydrophobicContact CG1-CD2 3.48Å; V283-L298 VanDerWaalsContact CG1-CD2 3.48Å
299L92Very high90.2Very high10 Ų1047.7 Ų47.75%0.05226%0.263CS..EExtended strand (participates in β ladder)trans-112.9138-179.5-57.9-178.5000111.8L5 N282 V284 L297 L304 L319 V321L5-L299 HydrophobicContact CD1-CD2 4.45Å; L5-L299 HydrophobicContact CD2-CD2 3.91Å; N282-L299 HydrophobicContact CB-CB 3.87Å; N282-L299 PolarHBondContact O-N 3.15Å; V284-L299 HydrophobicContact CG2-CD1 3.59Å; V284-L299 HydrophobicContact CG2-CD2 4.36Å; V284-L299 HydrophobicContact CG2-CG 4.08Å; L297-L299 HydrophobicContact CD2-CD2 4.09Å; L297-L299 HydrophobicContact CG-CD2 4.13Å; L299-L304 HydrophobicContact CD1-CD1 3.96Å; L299-L319 HydrophobicContact CD1-CD1 3.84Å; L299-L319 HydrophobicContact CD1-CD2 4.15Å; L299-L319 HydrophobicContact CD1-CG 4.41Å; L299-L319 HydrophobicContact CD2-CD1 3.56Å; L299-L319 HydrophobicContact CG-CD1 4.33Å; L299-V321 HydrophobicContact CD1-CG2 4.24Å
300P90.6Very high90.5Very high56 Ų5648.1 Ų48.136%0.36426%0.264SS..  trans-74.6157.3169.933.8-36.3000111.1L5 V321 Y326L5-P300 HydrophobicContact CD1-CG 4.2Å; P300-V321 VanDerWaalsContact O-CG1 3.28Å; P300-V321 WeakPolarHBondContact O-CG1 3.27Å; P300-Y326 HydrophobicContact CG-CD1 4.38Å; P300-Y326 HydrophobicContact CG-CE1 3.63Å; P300-Y326 HydrophobicContact CG-CE2 4.05Å; P300-Y326 VanDerWaalsContact CG-CZ 3.45Å; P300-Y326 WeakPolarHBondContact CG-OH 2.99Å
301G88.6Confident90.2Very high38 Ų3843.6 Ų43.639%0.39225%0.245SC..SBendtrans107.5177.2175.600000113.2N282 D322N282-G301 PolarHBondContact ND2-O 3.03Å; G301-D322 VanDerWaalsContact CA-OD2 3.24Å; G301-D322 WeakPolarHBondContact CA-OD2 3.36Å
302K88.7Confident89.6Confident187 Ų18748.6 Ų48.681%0.81327%0.268SS*.SBendtrans-102.9-45.9-176.2-66.1-178179.8-179.50112.4N282 D322N282-K302 PolarHBondContact ND2-O 3.47Å; K302-D322 PolarHBondContact N-OD2 3.07Å
303C90.1Very high88.8Confident65 Ų6545.8 Ų45.844%0.43926%0.262SS..  trans-119.999.3-171.3-158.60000111.2V321 D322C303-V321 CarbonylContact O-C 3.6Å; C303-V321 WeakPolarHBondContact O-CA 3.32Å; C303-D322 WeakPolarHBondContact CB-OD1 3.3Å; C303-D322 PolarHBondContact N-OD1 3.16Å; C303-D322 PolarHBondContact O-N 2.88Å
304L94.3Very high88Confident5 Ų542.3 Ų42.33%0.02625%0.248CC..EExtended strand (participates in β ladder)trans-78131.6168.4168.272000109.2T257 A271 G272 N282 L299 L319 V321T257-L304 WeakPolarHBondContact CG2-O 3.41Å; A271-L304 HydrophobicContact CB-CD2 3.61Å; G272-L304 VanDerWaalsContact N-CD2 3.34Å; N282-L304 HydrophobicContact CB-CB 4.34Å; L299-L304 HydrophobicContact CD1-CD1 3.96Å; L304-L319 HydrophobicContact CD1-CD2 4.08Å; L304-V321 HydrophobicContact CB-CG2 4.44Å; L304-V321 HydrophobicContact CD1-CG2 3.81Å
305T94Very high87.8Confident33 Ų3340.5 Ų40.520%0.20224%0.239CC..EExtended strand (participates in β ladder)trans-123.8-34.6-175.953.30000114.9L17 A320L17-T305 WeakPolarHBondContact O-CB 3.38Å; L17-T305 VanDerWaalsContact O-CG2 3.24Å; L17-T305 WeakPolarHBondContact O-CG2 3.47Å; L17-T305 PolarHBondContact O-OG1 3.36Å; T305-A320 PolarHBondContact N-O 3.19Å; T305-A320 WeakPolarHBondContact OG1-CB 3.01Å; T305-A320 PolarHBondContact OG1-O 3.43Å
306A94.5Very high87.8Confident11 Ų1140.4 Ų40.49%0.09124%0.237CC..EExtended strand (participates in β ladder)trans-149.2151.2-178.400000113A20 C258 L319 A320A20-A306 HydrophobicContact CB-CB 3.95Å; C258-A306 VanDerWaalsContact SG-C 3.58Å; A306-L319 WeakPolarHBondContact O-CA 3.41Å; A306-A320 HydrophobicContact CB-CB 4.13Å; A306-A320 PolarHBondContact O-N 3.18Å
307C94.9Very high87.8Confident12 Ų1238.2 Ų38.28%0.08122%0.223CC..EExtended strand (participates in β ladder)trans-133.5135.9171.465.50000110.6C258 C260 A271 A318 L319C258-C307 PolarHBondContact SG-N 3.46Å; C260-C307 PolarHBondContact SG-O 3.39Å; A271-C307 HydrophobicContact CB-CB 4.3Å; C307-A318 CarbonylContact C-O 3.5Å; C307-A318 WeakPolarHBondContact CA-O 3.48Å; C307-L319 HydrophobicContact CB-CD2 3.49Å; C307-L319 VanDerWaalsContact CB-CD2 3.49Å
308T94.5Very high88Confident16 Ų1637.5 Ų37.510%0.09822%0.219CC..EExtended strand (participates in β ladder)trans-147.2140-179.4-176.60000111.7W22 L317 A318W22-T308 HydrophobicContact CB-CG2 3.71Å; W22-T308 WeakPolarHBondContact CB-OG1 3.23Å; W22-T308 PolarHBondContact N-OG1 3.16Å; T308-L317 WeakPolarHBondContact O-CD1 3.42Å; T308-A318 HydrophobicContact CG2-CB 3.93Å; T308-A318 PolarHBondContact N-O 3.3Å; T308-A318 PolarHBondContact O-N 3.09Å
309W92.2Very high88.2Confident6 Ų632.5 Ų32.52%0.02319%0.193CC..EExtended strand (participates in β ladder)trans-88.5147.2178.8-69.797.4000112.2W22 C260 N262 M267 A269 F286 L317 L330W22-W309 WeakPolarHBondContact CB-O 3.42Å; C260-W309 PolarHBondContact O-NE1 2.97Å; N262-W309 HydrophobicContact CB-CD2 3.72Å; N262-W309 HydrophobicContact CB-CE3 4.07Å; N262-W309 HydrophobicContact CB-CG 4.03Å; N262-W309 HydrophobicContact CB-CH2 4.35Å; N262-W309 HydrophobicContact CB-CZ2 4.06Å; N262-W309 HydrophobicContact CB-CZ3 4.36Å; M267-W309 HydrophobicContact CE-CH2 4.22Å; A269-W309 HydrophobicContact CB-CZ2 3.84Å; F286-W309 HydrophobicContact CD1-CH2 4.16Å; F286-W309 HydrophobicContact CD1-CZ2 4.03Å; F286-W309 AromaticContact CE1-CH2 3.93Å; F286-W309 HydrophobicContact CE1-CH2 3.93Å; F286-W309 AromaticContact CE1-CZ2 3.88Å; F286-W309 HydrophobicContact CE1-CZ2 3.88Å; W309-L317 HydrophobicContact CD2-CD1 3.62Å; W309-L317 HydrophobicContact CE3-CB 4.33Å; W309-L317 HydrophobicContact CE3-CD1 4.19Å; W309-L317 HydrophobicContact CG-CD1 3.84Å; W309-L317 HydrophobicContact CZ2-CD1 4.24Å; W309-L317 HydrophobicContact CZ3-CB 4.48Å; W309-L330 HydrophobicContact CH2-CD1 3.99Å; W309-L330 HydrophobicContact CH2-CD2 3.47Å; W309-L330 VanDerWaalsContact CH2-CD2 3.47Å; W309-L330 HydrophobicContact CH2-CG 4.36Å; W309-L330 HydrophobicContact CZ3-CD1 3.72Å; W309-L330 HydrophobicContact CZ3-CD2 3.98Å; W309-L330 HydrophobicContact CZ3-CG 4.43Å
310E88.9Confident88.3Confident24 Ų2432 Ų3211%0.11219%0.19CC..  trans-72.2148.2160.5-172.2179.6-149.600110.7W22 S314 R316W22-E310 HydrophobicContact CD2-CB 3.83Å; W22-E310 HydrophobicContact CD2-CG 4.31Å; W22-E310 HydrophobicContact CE3-CB 3.95Å; W22-E310 HydrophobicContact CH2-CB 3.82Å; W22-E310 HydrophobicContact CH2-CG 4.29Å; W22-E310 HydrophobicContact CZ2-CB 3.69Å; W22-E310 HydrophobicContact CZ2-CG 3.7Å; W22-E310 HydrophobicContact CZ3-CB 3.95Å; E310-S314 WeakPolarHBondContact OE2-CB 3.46Å; E310-S314 PolarHBondContact OE2-OG 3.26Å; E310-R316 HydrophobicContact CB-CB 4.25Å; E310-R316 PolarHBondContact N-O 3.36Å; E310-R316 IonicContact OE1-CZ 3.03Å; E310-R316 IonicContact OE1-NE 3.72Å; E310-R316 IonicContact OE1-NH2 3.68Å; E310-R316 PolarHBondContact OE1-NH2 3.19Å; E310-R316 IonicContact OE2-CZ 3.36Å; E310-R316 IonicContact OE2-NE 2.79Å; E310-R316 PolarHBondContact OE2-NE 2.8Å; E310-R316 IonicContact OE2-NH2 2.93Å; E310-R316 PolarHBondContact OE2-NH2 2.97Å
311G79.6Confident88.5Confident2 Ų229.3 Ų29.32%0.02117%0.173CC..SBendtrans-86.4-162171.200000114.7K24 E263 S314K24-G311 VanDerWaalsContact O-CA 3.31Å; K24-G311 WeakPolarHBondContact O-CA 3.32Å; E263-G311 VanDerWaalsContact CD-CA 3.49Å; E263-G311 WeakPolarHBondContact OE2-CA 3.47Å; G311-S314 WeakPolarHBondContact O-CB 3.41Å; G311-S314 PolarHBondContact O-N 2.81Å
312N73.4Confident88.8Confident118 Ų11829 Ų2963%0.63116%0.163SC*.THydrogen-bonded Turntrans50.744.9-170.8-58.7-35.6000116.4E263 S314E263-N312 PolarHBondContact OE1-N 3.26Å; E263-N312 VanDerWaalsContact OE2-CA 3.28Å; E263-N312 WeakPolarHBondContact OE2-CA 3.5Å; E263-N312 PolarHBondContact OE2-N 3Å; N312-S314 PolarHBondContact O-N 3.42Å
313G68.1Low89Confident37 Ų3720.7 Ų20.738%0.38113%0.128SC..THydrogen-bonded Turntrans64.222.2-179.500000113E263 K663E263-G313 PolarHBondContact OE2-N 2.86Å; G313-K663 WeakPolarHBondContact O-CE 3.35Å; G313-K663 PolarHBondContact O-NZ 3.39Å
314S74.4Confident89.2Confident20 Ų2020.2 Ų20.214%0.1412%0.118CC..  trans-76.1146.9-176.7-173.20000112.3E310 G311 N312 R316E310-S314 WeakPolarHBondContact OE2-CB 3.46Å; E310-S314 PolarHBondContact OE2-OG 3.26Å; G311-S314 WeakPolarHBondContact O-CB 3.41Å; G311-S314 PolarHBondContact O-N 2.81Å; N312-S314 PolarHBondContact O-N 3.42Å; S314-R316 VanDerWaalsContact C-N 3.31Å
315L81.4Confident89.2Confident18 Ų1820 Ų209%0.09412%0.117CC..  trans-101.136.9179.3-64.1164000110.4M267 L330 P332M267-L315 HydrophobicContact CE-CD2 3.95Å; L315-L330 HydrophobicContact CB-CB 4.2Å; L315-L330 WeakPolarHBondContact CB-O 3.42Å; L315-L330 VanDerWaalsContact O-CD1 3.31Å; L315-L330 WeakPolarHBondContact O-CD1 3.33Å; L315-L330 PolarHBondContact O-N 2.98Å; L315-P332 HydrophobicContact CD1-CG 3.59Å; L315-P332 HydrophobicContact CD2-CG 3.64Å; L315-P332 HydrophobicContact CG-CG 4.25Å
316R88.6Confident89.2Confident24 Ų2419.8 Ų19.89%0.09111%0.113CC..EExtended strand (participates in β ladder)trans-117.7136.7-179.3-64.9-166.5-70.1175.2-6.1111.1W22 L54 E310 S314 A328W22-R316 HydrophobicContact CH2-CB 4.13Å; W22-R316 HydrophobicContact CZ3-CB 4.35Å; L54-R316 HydrophobicContact CD2-CG 3.93Å; E310-R316 HydrophobicContact CB-CB 4.25Å; E310-R316 PolarHBondContact N-O 3.36Å; E310-R316 IonicContact OE1-CZ 3.03Å; E310-R316 IonicContact OE1-NE 3.72Å; E310-R316 IonicContact OE1-NH2 3.68Å; E310-R316 PolarHBondContact OE1-NH2 3.19Å; E310-R316 IonicContact OE2-CZ 3.36Å; E310-R316 IonicContact OE2-NE 2.79Å; E310-R316 PolarHBondContact OE2-NE 2.8Å; E310-R316 IonicContact OE2-NH2 2.93Å; E310-R316 PolarHBondContact OE2-NH2 2.97Å; S314-R316 VanDerWaalsContact C-N 3.31Å; R316-A328 WeakPolarHBondContact CA-O 3.34Å
317L92.4Very high89.1Confident0 Ų019.4 Ų19.40%011%0.109CC..EExtended strand (participates in β ladder)trans-123.6135178.3-175.679.5000109A269 V284 F286 T308 W309 L319 F327 A328 L330A269-L317 HydrophobicContact CB-CD1 4.4Å; V284-L317 HydrophobicContact CG1-CD2 4.14Å; F286-L317 HydrophobicContact CE1-CD2 4.08Å; F286-L317 HydrophobicContact CZ-CD2 4.11Å; T308-L317 WeakPolarHBondContact O-CD1 3.42Å; W309-L317 HydrophobicContact CD2-CD1 3.62Å; W309-L317 HydrophobicContact CE3-CB 4.33Å; W309-L317 HydrophobicContact CE3-CD1 4.19Å; W309-L317 HydrophobicContact CG-CD1 3.84Å; W309-L317 HydrophobicContact CZ2-CD1 4.24Å; W309-L317 HydrophobicContact CZ3-CB 4.48Å; L317-L319 HydrophobicContact CD2-CD1 4.02Å; L317-L319 HydrophobicContact CD2-CD2 3.97Å; L317-L319 HydrophobicContact CD2-CG 3.94Å; L317-L319 HydrophobicContact CG-CG 4.29Å; L317-F327 CarbonylContact O-C 3.56Å; L317-F327 VanDerWaalsContact O-CA 3.31Å; L317-F327 WeakPolarHBondContact O-CA 3.29Å; L317-A328 HydrophobicContact CB-CB 4.39Å; L317-A328 PolarHBondContact N-O 3.21Å; L317-A328 PolarHBondContact O-N 2.79Å; L317-L330 HydrophobicContact CB-CD1 4.09Å
318A94.4Very high89Confident0 Ų018.8 Ų18.80%011%0.105CC..EExtended strand (participates in β ladder)trans-102.9140.5168.800000110.5W22 C307 T308 L325 Y326 F327W22-A318 HydrophobicContact CE3-CB 3.6Å; W22-A318 HydrophobicContact CZ3-CB 3.71Å; C307-A318 CarbonylContact C-O 3.5Å; C307-A318 WeakPolarHBondContact CA-O 3.48Å; T308-A318 HydrophobicContact CG2-CB 3.93Å; T308-A318 PolarHBondContact N-O 3.3Å; T308-A318 PolarHBondContact O-N 3.09Å; A318-L325 HydrophobicContact CB-CD1 4.26Å; A318-Y326 CarbonylContact C-O 3.52Å; A318-Y326 WeakPolarHBondContact CA-O 3.24Å; A318-F327 HydrophobicContact CB-CD1 3.97Å; A318-F327 HydrophobicContact CB-CE1 3.8Å; A318-F327 HydrophobicContact CB-CZ 4.49Å
319L95.6Very high88.8Confident0 Ų018.5 Ų18.50%010%0.103CC..EExtended strand (participates in β ladder)trans-133.6122.9-174-70.3157.3000109.8V284 L299 L304 A306 C307 L317 L325 Y326 A328V284-L319 HydrophobicContact CG2-CD1 3.91Å; V284-L319 HydrophobicContact CG2-CD2 3.66Å; V284-L319 HydrophobicContact CG2-CG 4.43Å; L299-L319 HydrophobicContact CD1-CD1 3.84Å; L299-L319 HydrophobicContact CD1-CD2 4.15Å; L299-L319 HydrophobicContact CD1-CG 4.41Å; L299-L319 HydrophobicContact CD2-CD1 3.56Å; L299-L319 HydrophobicContact CG-CD1 4.33Å; L304-L319 HydrophobicContact CD1-CD2 4.08Å; A306-L319 WeakPolarHBondContact O-CA 3.41Å; C307-L319 HydrophobicContact CB-CD2 3.49Å; C307-L319 VanDerWaalsContact CB-CD2 3.49Å; L317-L319 HydrophobicContact CD2-CD1 4.02Å; L317-L319 HydrophobicContact CD2-CD2 3.97Å; L317-L319 HydrophobicContact CD2-CG 3.94Å; L317-L319 HydrophobicContact CG-CG 4.29Å; L319-L325 WeakPolarHBondContact O-CA 3.45Å; L319-Y326 PolarHBondContact N-O 2.83Å; L319-Y326 PolarHBondContact O-N 3.03Å; L319-A328 HydrophobicContact CD1-CB 4.49Å
320A95.6Very high88.6Confident0 Ų018.2 Ų18.20%010%0.102CC..EExtended strand (participates in β ladder)trans-89.5115.2174.200000109.5L17 A20 T305 A306L17-A320 HydrophobicContact CB-CB 3.89Å; L17-A320 HydrophobicContact CD1-CB 3.96Å; A20-A320 HydrophobicContact CB-CB 4.13Å; T305-A320 PolarHBondContact N-O 3.19Å; T305-A320 WeakPolarHBondContact OG1-CB 3.01Å; T305-A320 PolarHBondContact OG1-O 3.43Å; A306-A320 HydrophobicContact CB-CB 4.13Å; A306-A320 PolarHBondContact O-N 3.18Å
321V94.9Very high88.5Confident0 Ų017.3 Ų17.30%010%0.097CC..EExtended strand (participates in β ladder)trans-134.2121.6178-168.90000110L299 P300 C303 L304 S323 F324 Y326L299-V321 HydrophobicContact CD1-CG2 4.24Å; P300-V321 VanDerWaalsContact O-CG1 3.28Å; P300-V321 WeakPolarHBondContact O-CG1 3.27Å; C303-V321 CarbonylContact O-C 3.6Å; C303-V321 WeakPolarHBondContact O-CA 3.32Å; L304-V321 HydrophobicContact CB-CG2 4.44Å; L304-V321 HydrophobicContact CD1-CG2 3.81Å; V321-S323 PolarHBondContact O-N 3.06Å; V321-F324 PolarHBondContact N-O 3.28Å; V321-F324 WeakPolarHBondContact O-CB 3.17Å; V321-F324 PolarHBondContact O-N 3.26Å; V321-F324 VanDerWaalsContact O-O 3.12Å; V321-Y326 HydrophobicContact CB-CD2 3.99Å; V321-Y326 HydrophobicContact CB-CE2 4.03Å; V321-Y326 HydrophobicContact CG2-CD2 4.03Å; V321-Y326 HydrophobicContact CG2-CE2 4.48Å
322D93.7Very high88.6Confident32 Ų3218.4 Ų18.417%0.17110%0.104CC..THydrogen-bonded Turntrans49.9-118.8-172.5-58-43.1000110.9K16 L17 G301 K302 C303K16-D322 CarbonylContact C-O 3.58Å; K16-D322 WeakPolarHBondContact CA-O 3.17Å; L17-D322 PolarHBondContact N-O 3.5Å; G301-D322 VanDerWaalsContact CA-OD2 3.24Å; G301-D322 WeakPolarHBondContact CA-OD2 3.36Å; K302-D322 PolarHBondContact N-OD2 3.07Å; C303-D322 WeakPolarHBondContact CB-OD1 3.3Å; C303-D322 PolarHBondContact N-OD1 3.16Å; C303-D322 PolarHBondContact O-N 2.88Å
323S93.7Very high89Confident11 Ų1118 Ų188%0.07710%0.095CC..THydrogen-bonded Turntrans-10224.3176.8640000113I11 A15 V321I11-S323 WeakPolarHBondContact CB-O 3.37Å; I11-S323 WeakPolarHBondContact CG1-O 3.26Å; I11-S323 PolarHBondContact N-O 3.4Å; A15-S323 WeakPolarHBondContact O-CA 3.46Å; A15-S323 VanDerWaalsContact O-CB 3.32Å; A15-S323 WeakPolarHBondContact O-CB 3.35Å; V321-S323 PolarHBondContact O-N 3.06Å
324F94.8Very high89.8Confident56 Ų5617.8 Ų17.825%0.2468%0.083CC..EExtended strand (participates in β ladder)trans-127.1140.9-176.3-58.8-80.6000111.7I9 A10 V321 Y326I9-F324 WeakPolarHBondContact O-CA 3.45Å; A10-F324 HydrophobicContact CB-CD1 3.85Å; A10-F324 HydrophobicContact CB-CE1 3.68Å; V321-F324 PolarHBondContact N-O 3.28Å; V321-F324 WeakPolarHBondContact O-CB 3.17Å; V321-F324 PolarHBondContact O-N 3.26Å; V321-F324 VanDerWaalsContact O-O 3.12Å; F324-Y326 HydrophobicContact CB-CD2 4.02Å; F324-Y326 HydrophobicContact CB-CE2 3.51Å; F324-Y326 HydrophobicContact CG-CE2 4.24Å
325L93.9Very high90.6Very high0 Ų019.4 Ų19.40%09%0.087CC..EExtended strand (participates in β ladder)trans-101.7110.2165.6-169.370.1000108.4K8 I9 L17 A20 V29 L41 A318 L319 F327K8-L325 CarbonylContact C-O 3.56Å; K8-L325 WeakPolarHBondContact CA-O 3.01Å; I9-L325 HydrophobicContact CB-CB 4.38Å; I9-L325 PolarHBondContact N-O 2.91Å; I9-L325 PolarHBondContact O-N 2.97Å; L17-L325 HydrophobicContact CD1-CB 4.35Å; A20-L325 HydrophobicContact CB-CD1 4.37Å; V29-L325 HydrophobicContact CG1-CD2 4Å; L41-L325 HydrophobicContact CD1-CD2 3.86Å; A318-L325 HydrophobicContact CB-CD1 4.26Å; L319-L325 WeakPolarHBondContact O-CA 3.45Å; L325-F327 HydrophobicContact CB-CE2 4.49Å; L325-F327 HydrophobicContact CD2-CE1 4.41Å; L325-F327 HydrophobicContact CD2-CE2 3.81Å; L325-F327 HydrophobicContact CD2-CZ 3.47Å; L325-F327 VanDerWaalsContact CD2-CZ 3.47Å; L325-F327 HydrophobicContact CG-CE2 3.93Å; L325-F327 HydrophobicContact CG-CZ 3.95Å
326Y94.2Very high91.1Very high28 Ų2820.9 Ų20.911%0.119%0.092CC..EExtended strand (participates in β ladder)trans-92.3142.1175.2-72.2-82.4000110.3L5 K8 P300 A318 L319 V321 F324L5-Y326 HydrophobicContact CD1-CD1 4.16Å; K8-Y326 HydrophobicContact CB-CD1 3.87Å; K8-Y326 HydrophobicContact CB-CE1 3.83Å; K8-Y326 HydrophobicContact CD-CE1 4.41Å; P300-Y326 HydrophobicContact CG-CD1 4.38Å; P300-Y326 HydrophobicContact CG-CE1 3.63Å; P300-Y326 HydrophobicContact CG-CE2 4.05Å; P300-Y326 VanDerWaalsContact CG-CZ 3.45Å; P300-Y326 WeakPolarHBondContact CG-OH 2.99Å; A318-Y326 CarbonylContact C-O 3.52Å; A318-Y326 WeakPolarHBondContact CA-O 3.24Å; L319-Y326 PolarHBondContact N-O 2.83Å; L319-Y326 PolarHBondContact O-N 3.03Å; V321-Y326 HydrophobicContact CB-CD2 3.99Å; V321-Y326 HydrophobicContact CB-CE2 4.03Å; V321-Y326 HydrophobicContact CG2-CD2 4.03Å; V321-Y326 HydrophobicContact CG2-CE2 4.48Å; F324-Y326 HydrophobicContact CB-CD2 4.02Å; F324-Y326 HydrophobicContact CB-CE2 3.51Å; F324-Y326 HydrophobicContact CG-CE2 4.24Å
327F92.4Very high91.4Very high3 Ų320.3 Ų20.31%0.0139%0.092CC..EExtended strand (participates in β ladder)trans-113.7130.5172-64-93.1000108.5L5 S6 K7 I9 W22 V29 L43 L317 A318 L325L5-F327 CarbonylContact C-O 3.53Å; L5-F327 WeakPolarHBondContact CA-O 3.45Å; S6-F327 PolarHBondContact N-O 3.37Å; S6-F327 PolarHBondContact OG-O 3.05Å; K7-F327 HydrophobicContact CB-CB 4.11Å; K7-F327 HydrophobicContact CB-CD2 4.03Å; K7-F327 HydrophobicContact CB-CG 4.39Å; K7-F327 HydrophobicContact CG-CD2 4.48Å; K7-F327 PolarHBondContact N-O 3.36Å; K7-F327 PolarHBondContact O-N 3.18Å; I9-F327 HydrophobicContact CD1-CE2 3.62Å; I9-F327 HydrophobicContact CD1-CZ 4.13Å; I9-F327 HydrophobicContact CG1-CE2 3.93Å; W22-F327 HydrophobicContact CE3-CE1 4.5Å; W22-F327 AromaticContact CH2-CD1 3.72Å; W22-F327 HydrophobicContact CH2-CD1 3.72Å; W22-F327 AromaticContact CH2-CE1 3.73Å; W22-F327 HydrophobicContact CH2-CE1 3.73Å; W22-F327 HydrophobicContact CZ2-CE1 4.42Å; W22-F327 AromaticContact CZ3-CD1 3.73Å; W22-F327 HydrophobicContact CZ3-CD1 3.73Å; W22-F327 AromaticContact CZ3-CE1 3.78Å; W22-F327 HydrophobicContact CZ3-CE1 3.78Å; V29-F327 HydrophobicContact CG2-CE1 4.39Å; L43-F327 HydrophobicContact CD1-CD1 3.93Å; L43-F327 HydrophobicContact CD1-CE1 3.39Å; L43-F327 HydrophobicContact CD1-CE2 4.07Å; L43-F327 HydrophobicContact CD1-CG 4.46Å; L43-F327 HydrophobicContact CD1-CZ 3.47Å; L43-F327 VanDerWaalsContact CD1-CZ 3.47Å; L317-F327 CarbonylContact O-C 3.56Å; L317-F327 VanDerWaalsContact O-CA 3.31Å; L317-F327 WeakPolarHBondContact O-CA 3.29Å; A318-F327 HydrophobicContact CB-CD1 3.97Å; A318-F327 HydrophobicContact CB-CE1 3.8Å; A318-F327 HydrophobicContact CB-CZ 4.49Å; L325-F327 HydrophobicContact CB-CE2 4.49Å; L325-F327 HydrophobicContact CD2-CE1 4.41Å; L325-F327 HydrophobicContact CD2-CE2 3.81Å; L325-F327 HydrophobicContact CD2-CZ 3.47Å; L325-F327 VanDerWaalsContact CD2-CZ 3.47Å; L325-F327 HydrophobicContact CG-CE2 3.93Å; L325-F327 HydrophobicContact CG-CZ 3.95Å
328A92Very high91.4Very high0 Ų021.9 Ų21.90%010%0.098CC..EExtended strand (participates in β ladder)trans-111140.417400000109.7Y4 L5 L297 R316 L317 L319Y4-A328 CarbonylContact O-C 3.58Å; Y4-A328 VanDerWaalsContact O-CA 3.26Å; Y4-A328 WeakPolarHBondContact O-CA 3.45Å; L5-A328 HydrophobicContact CD2-CB 4.15Å; L297-A328 HydrophobicContact CD2-CB 3.62Å; R316-A328 WeakPolarHBondContact CA-O 3.34Å; L317-A328 HydrophobicContact CB-CB 4.39Å; L317-A328 PolarHBondContact N-O 3.21Å; L317-A328 PolarHBondContact O-N 2.79Å; L319-A328 HydrophobicContact CD1-CB 4.49Å
329N90.3Very high91.2Very high10 Ų1021.9 Ų21.95%0.05310%0.098CC..EExtended strand (participates in β ladder)trans-106.9139.9170.5-69.22.3000108.6S3 Y4 S6 L54S3-N329 WeakPolarHBondContact CA-O 3.37Å; Y4-N329 HydrophobicContact CE1-CB 3.91Å; Y4-N329 HydrophobicContact CE2-CB 3.88Å; Y4-N329 PolarHBondContact N-O 3.2Å; Y4-N329 PolarHBondContact O-N 3.45Å; Y4-N329 WeakPolarHBondContact OH-CB 3.49Å; Y4-N329 PolarHBondContact OH-ND2 3.04Å; S6-N329 WeakPolarHBondContact CB-OD1 3.37Å; S6-N329 PolarHBondContact OG-OD1 3.16Å; L54-N329 HydrophobicContact CD2-CB 4.26Å
330L88.7Confident90.7Very high0 Ų024.3 Ų24.30%012%0.115CC..EExtended strand (participates in β ladder)trans-113.3141.5-179.4-66.390000109.8M1 F286 W309 L315 L317M1-L330 HydrophobicContact CE-CB 3.64Å; M1-L330 HydrophobicContact CE-CD2 3.19Å; M1-L330 HydrophobicContact CE-CG 3.95Å; F286-L330 HydrophobicContact CD1-CD2 3.71Å; F286-L330 HydrophobicContact CD2-CD2 4.23Å; F286-L330 HydrophobicContact CE1-CD2 3.43Å; F286-L330 VanDerWaalsContact CE1-CD2 3.43Å; F286-L330 HydrophobicContact CE1-CG 4.48Å; F286-L330 HydrophobicContact CE2-CD2 3.96Å; F286-L330 HydrophobicContact CG-CD2 4.11Å; F286-L330 HydrophobicContact CZ-CD1 4.47Å; F286-L330 HydrophobicContact CZ-CD2 3.55Å; F286-L330 HydrophobicContact CZ-CG 4.25Å; W309-L330 HydrophobicContact CH2-CD1 3.99Å; W309-L330 HydrophobicContact CH2-CD2 3.47Å; W309-L330 VanDerWaalsContact CH2-CD2 3.47Å; W309-L330 HydrophobicContact CH2-CG 4.36Å; W309-L330 HydrophobicContact CZ3-CD1 3.72Å; W309-L330 HydrophobicContact CZ3-CD2 3.98Å; W309-L330 HydrophobicContact CZ3-CG 4.43Å; L315-L330 HydrophobicContact CB-CB 4.2Å; L315-L330 WeakPolarHBondContact CB-O 3.42Å; L315-L330 VanDerWaalsContact O-CD1 3.31Å; L315-L330 WeakPolarHBondContact O-CD1 3.33Å; L315-L330 PolarHBondContact O-N 2.98Å; L317-L330 HydrophobicContact CB-CD1 4.09Å
331R86.5Confident90.1Very high4 Ų426.9 Ų26.92%0.01513%0.131CC..EExtended strand (participates in β ladder)trans-12399.3179.2-70.2-64.4-64-165.2-13.1108.7M1 F2 Y4 S642 Y644 D659M1-R331 WeakPolarHBondContact CG-O 3.33Å; F2-R331 HydrophobicContact CB-CB 4.22Å; F2-R331 PolarHBondContact N-O 3.36Å; F2-R331 PolarHBondContact O-N 3.36Å; Y4-R331 HydrophobicContact CE1-CG 4.23Å; R331-S642 PolarHBondContact NH1-O 3.3Å; R331-S642 PolarHBondContact NH2-O 3.35Å; R331-Y644 PolarHBondContact NE-OH 3.42Å; R331-Y644 PolarHBondContact NH2-OH 3.36Å; R331-D659 IonicContact CZ-OD1 2.64Å; R331-D659 IonicContact CZ-OD2 2.84Å; R331-D659 IonicContact NH1-OD1 3.89Å; R331-D659 PolarHBondContact NH1-OD1 3.43Å; R331-D659 VanDerWaalsContact NH1-OD1 3.16Å; R331-D659 IonicContact NH1-OD2 2.61Å; R331-D659 PolarHBondContact NH1-OD2 3.18Å
332P80.9Confident89.5Confident26 Ų2630.3 Ų30.317%0.16915%0.147CC..  trans-56.2153.7174.8-26.234.5000111.7L315 Y334 Y644L315-P332 HydrophobicContact CD1-CG 3.59Å; L315-P332 HydrophobicContact CD2-CG 3.64Å; L315-P332 HydrophobicContact CG-CG 4.25Å; P332-Y334 HydrophobicContact CB-CE1 4.17Å; P332-Y334 HydrophobicContact CB-CE2 4.1Å; P332-Y334 HydrophobicContact CG-CE2 4.41Å; P332-Y644 PolarHBondContact O-OH 3.11Å; P332-Y644 VanDerWaalsContact O-OH 3.12Å
333Y82.2Confident89.3Confident109 Ų10931 Ų3143%0.42715%0.151SC..  trans-95.193.9166.8-179.1-121.6000108.6
334Y86.4Confident89.3Confident33 Ų3330.5 Ų30.513%0.12915%0.147CC..  trans-70.1144.5172.9-63.6-65.9000110.3P332 Y644 L658 D659 V662P332-Y334 HydrophobicContact CB-CE1 4.17Å; P332-Y334 HydrophobicContact CB-CE2 4.1Å; P332-Y334 HydrophobicContact CG-CE2 4.41Å; Y334-Y644 HydrophobicContact CD2-CE2 4.11Å; Y334-Y644 AromaticContact CD2-CZ 3.84Å; Y334-Y644 HydrophobicContact CE2-CE2 4.29Å; Y334-L658 HydrophobicContact CD2-CB 3.77Å; Y334-L658 HydrophobicContact CD2-CD1 4.23Å; Y334-L658 HydrophobicContact CE2-CB 4.12Å; Y334-L658 HydrophobicContact CG-CB 4.47Å; Y334-D659 WeakPolarHBondContact CE2-OD1 3.42Å; Y334-V662 HydrophobicContact CD1-CG2 3.89Å; Y334-V662 HydrophobicContact CE1-CB 3.98Å; Y334-V662 HydrophobicContact CE1-CG1 3.81Å; Y334-V662 HydrophobicContact CE1-CG2 3.72Å; Y334-V662 HydrophobicContact CG-CG2 4.47Å
335K89.5Confident89.2Confident54 Ų5427.9 Ų27.924%0.23514%0.136CC..  trans-87110.5169.1-51.2178.9-175.3-168.50106.8N348 L377 I378 I380K335-N348 HydrophobicContact CB-CB 4.45Å; K335-N348 PolarHBondContact O-N 3.19Å; K335-L377 HydrophobicContact CB-CD2 4.33Å; K335-L377 HydrophobicContact CD-CD2 4.1Å; K335-L377 HydrophobicContact CD-CG 4.12Å; K335-L377 PolarHBondContact NZ-O 3.3Å; K335-I378 VanDerWaalsContact CD-O 3.27Å; K335-I378 WeakPolarHBondContact CD-O 3.49Å; K335-I378 WeakPolarHBondContact CE-O 3.49Å; K335-I378 PolarHBondContact NZ-O 2.94Å; K335-I380 HydrophobicContact CB-CD1 4.38Å; K335-I380 HydrophobicContact CB-CG1 4.21Å
336W93.5Very high89.2Confident49 Ų4927.9 Ų27.919%0.18614%0.136CC..EExtended strand (participates in β ladder)trans-155.7159.9-175.675.3-74.5000110I345 I346 V656 L658W336-I345 HydrophobicContact CE3-CG2 4.46Å; W336-I346 CarbonylContact C-O 3.59Å; W336-I346 WeakPolarHBondContact CA-O 3.22Å; W336-I346 WeakPolarHBondContact CB-O 3.33Å; W336-V656 HydrophobicContact CH2-CG1 4.37Å; W336-V656 HydrophobicContact CZ3-CG1 4.1Å; W336-L658 HydrophobicContact CB-CD1 4.27Å; W336-L658 VanDerWaalsContact CD1-CD1 3.5Å; W336-L658 HydrophobicContact CD2-CD1 3.64Å; W336-L658 HydrophobicContact CE3-CD1 4.37Å; W336-L658 HydrophobicContact CG-CD1 3.54Å; W336-L658 HydrophobicContact CZ2-CD1 4.44Å
337A93.3Very high89.1Confident12 Ų1227 Ų2710%0.09913%0.132CC..EExtended strand (participates in β ladder)trans-148.3164.717600000110.9I346 I380 A382A337-I346 PolarHBondContact N-O 2.94Å; A337-I346 PolarHBondContact O-N 3.46Å; A337-I380 HydrophobicContact CB-CG2 3.8Å; A337-A382 HydrophobicContact CB-CB 3.56Å
338Y92.8Very high89Confident32 Ų3227.5 Ų27.513%0.12514%0.135CC..EExtended strand (participates in β ladder)trans-127128.3175.4173.7-115.8000110.1T344 I345 L364 Y646 E647Y338-T344 WeakPolarHBondContact CD2-O 3.28Å; Y338-I345 HydrophobicContact CD2-CG1 3.93Å; Y338-I345 HydrophobicContact CE2-CG1 4.45Å; Y338-L364 HydrophobicContact CE2-CD1 4.24Å; Y338-Y646 AromaticContact CD1-CD2 3.66Å; Y338-Y646 HydrophobicContact CD1-CD2 3.66Å; Y338-Y646 HydrophobicContact CD1-CE2 4.47Å; Y338-Y646 HydrophobicContact CD1-CG 4.46Å; Y338-Y646 AromaticContact CD2-CD2 3.88Å; Y338-Y646 HydrophobicContact CD2-CD2 3.88Å; Y338-Y646 HydrophobicContact CD2-CE2 4.28Å; Y338-Y646 AromaticContact CE1-CD2 3.6Å; Y338-Y646 HydrophobicContact CE1-CD2 3.6Å; Y338-Y646 HydrophobicContact CE1-CE2 4.03Å; Y338-Y646 AromaticContact CE2-CD2 3.85Å; Y338-Y646 HydrophobicContact CE2-CD2 3.85Å; Y338-Y646 AromaticContact CE2-CE2 3.83Å; Y338-Y646 HydrophobicContact CE2-CE2 3.83Å; Y338-Y646 AromaticContact CG-CD2 3.78Å; Y338-Y646 HydrophobicContact CG-CD2 3.78Å; Y338-Y646 HydrophobicContact CG-CG 4.32Å; Y338-Y646 AromaticContact CZ-CD2 3.69Å; Y338-Y646 AromaticContact CZ-CE2 3.67Å; Y338-E647 HydrophobicContact CE1-CB 4Å; Y338-E647 HydrophobicContact CE1-CG 4.45Å; Y338-E647 WeakPolarHBondContact CE1-OE2 3.49Å; Y338-E647 PolarHBondContact OH-OE2 2.91Å
339S90.6Very high88.6Confident0 Ų027.9 Ų27.90%014%0.136CC..EExtended strand (participates in β ladder)trans-96.5111.8171.3160.70000108.6N343 T344 E384S339-N343 CarbonylContact O-C 3.51Å; S339-N343 VanDerWaalsContact O-CA 3.23Å; S339-N343 WeakPolarHBondContact O-CA 3.17Å; S339-N343 PolarHBondContact O-N 3.39Å; S339-T344 PolarHBondContact N-O 3.49Å; S339-T344 PolarHBondContact O-N 2.75Å; S339-E384 VanDerWaalsContact CB-O 3.31Å; S339-E384 WeakPolarHBondContact CB-O 3.31Å; S339-E384 PolarHBondContact OG-O 2.9Å
340S84.4Confident87.7Confident51 Ų5130.4 Ų30.436%0.35716%0.155SC..THydrogen-bonded Turntrans-78.1-24.9-171.956.10000114.6N343S340-N343 PolarHBondContact O-OD1 3.38Å
341T84.1Confident86.4Confident55 Ų5534.8 Ų34.834%0.33717%0.171SC..THydrogen-bonded Turntrans-76.8-47.6-179.948.40000111.5N343 K365 E384 D385T341-N343 VanDerWaalsContact C-N 3.34Å; T341-K365 PolarHBondContact O-NZ 3.5Å; T341-E384 HydrophobicContact CG2-CB 4.01Å; T341-E384 HydrophobicContact CG2-CG 4.38Å; T341-E384 PolarHBondContact OG1-O 3.1Å; T341-E384 VanDerWaalsContact OG1-O 3.06Å; T341-D385 WeakPolarHBondContact CB-OD1 3.41Å; T341-D385 PolarHBondContact OG1-N 3.38Å; T341-D385 PolarHBondContact OG1-OD1 3.15Å
342E82.3Confident84.9Confident71 Ų7138.6 Ų38.633%0.33220%0.196SC..THydrogen-bonded Turntrans-88.8-0.7179-69.1-62.2158.100113.1T344 N363 A407E342-T344 VanDerWaalsContact C-N 3.34Å; E342-T344 PolarHBondContact O-N 3.44Å; E342-T344 PolarHBondContact O-OG1 3.23Å; E342-N363 PolarHBondContact O-ND2 2.91Å; E342-A407 HydrophobicContact CB-CB 3.66Å; E342-A407 HydrophobicContact CG-CB 3.86Å
343N89.8Confident83.5Confident47 Ų4741.3 Ų41.325%0.25121%0.207SC..THydrogen-bonded Turntrans45.855.5-173.6-64.319.4000111.4S339 S340 T341 L364 K365S339-N343 CarbonylContact O-C 3.51Å; S339-N343 VanDerWaalsContact O-CA 3.23Å; S339-N343 WeakPolarHBondContact O-CA 3.17Å; S339-N343 PolarHBondContact O-N 3.39Å; S340-N343 PolarHBondContact O-OD1 3.38Å; T341-N343 VanDerWaalsContact C-N 3.34Å; N343-L364 HydrophobicContact CB-CB 4.19Å; N343-L364 VanDerWaalsContact O-CB 3.28Å; N343-L364 WeakPolarHBondContact O-CB 3.27Å; N343-L364 VanDerWaalsContact O-CG 3.24Å; N343-L364 WeakPolarHBondContact O-CG 3.24Å; N343-L364 PolarHBondContact O-N 2.86Å; N343-K365 HydrophobicContact CB-CD 4.36Å; N343-K365 HydrophobicContact CB-CG 4.12Å; N343-K365 VanDerWaalsContact CG-CE 3.41Å; N343-K365 VanDerWaalsContact ND2-CE 3.3Å; N343-K365 WeakPolarHBondContact ND2-CE 3.24Å
344T92.2Very high82.3Confident1 Ų139 Ų391%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-117.2124.9-176.6-610000110.7Y338 S339 E342 I346 F361 W362 N363 A407Y338-T344 WeakPolarHBondContact CD2-O 3.28Å; S339-T344 PolarHBondContact N-O 3.49Å; S339-T344 PolarHBondContact O-N 2.75Å; E342-T344 VanDerWaalsContact C-N 3.34Å; E342-T344 PolarHBondContact O-N 3.44Å; E342-T344 PolarHBondContact O-OG1 3.23Å; T344-I346 HydrophobicContact CG2-CD1 4.21Å; T344-I346 HydrophobicContact CG2-CG1 4.32Å; T344-I346 WeakPolarHBondContact O-CD1 3.33Å; T344-F361 HydrophobicContact CG2-CB 4.27Å; T344-W362 CarbonylContact C-O 3.49Å; T344-W362 VanDerWaalsContact CA-O 3.31Å; T344-W362 WeakPolarHBondContact CA-O 3.35Å; T344-N363 PolarHBondContact OG1-ND2 2.92Å; T344-A407 WeakPolarHBondContact CG2-O 3.36Å
345I93.8Very high80.9Confident0 Ų041 Ų410%021%0.214CC..EExtended strand (participates in β ladder)trans-91.2127172.3-60.6-178.4000108W336 Y338 Y347 W362 L364 Y646 V656 L674W336-I345 HydrophobicContact CE3-CG2 4.46Å; Y338-I345 HydrophobicContact CD2-CG1 3.93Å; Y338-I345 HydrophobicContact CE2-CG1 4.45Å; I345-Y347 HydrophobicContact CG2-CD1 4.18Å; I345-W362 HydrophobicContact CB-CE3 4.3Å; I345-W362 HydrophobicContact CD1-CE3 4.17Å; I345-W362 HydrophobicContact CD1-CZ3 4.15Å; I345-W362 PolarHBondContact N-O 3.36Å; I345-W362 PolarHBondContact O-N 2.98Å; I345-L364 HydrophobicContact CD1-CD1 4.03Å; I345-L364 HydrophobicContact CD1-CD2 3.94Å; I345-L364 HydrophobicContact CD1-CG 4.4Å; I345-L364 HydrophobicContact CG1-CD1 4.07Å; I345-L364 HydrophobicContact CG1-CD2 4.14Å; I345-L364 HydrophobicContact CG1-CG 4.26Å; I345-Y646 HydrophobicContact CD1-CE1 4.3Å; I345-V656 HydrophobicContact CD1-CB 3.98Å; I345-V656 HydrophobicContact CD1-CG1 4.32Å; I345-V656 HydrophobicContact CD1-CG2 3.99Å; I345-L674 HydrophobicContact CD1-CD2 3.73Å
346I93.9Very high80Confident0 Ų041.5 Ų41.50%022%0.217CC..EExtended strand (participates in β ladder)trans-112.8121.4176.5-5593000107.9W336 A337 T344 I359 T360 F361 I380 A382 V387W336-I346 CarbonylContact C-O 3.59Å; W336-I346 WeakPolarHBondContact CA-O 3.22Å; W336-I346 WeakPolarHBondContact CB-O 3.33Å; A337-I346 PolarHBondContact N-O 2.94Å; A337-I346 PolarHBondContact O-N 3.46Å; T344-I346 HydrophobicContact CG2-CD1 4.21Å; T344-I346 HydrophobicContact CG2-CG1 4.32Å; T344-I346 WeakPolarHBondContact O-CD1 3.33Å; I346-I359 HydrophobicContact CG2-CG2 3.54Å; I346-T360 VanDerWaalsContact CA-O 3.3Å; I346-T360 WeakPolarHBondContact CA-O 3.15Å; I346-F361 HydrophobicContact CG1-CD1 3.63Å; I346-F361 HydrophobicContact CG1-CE1 3.9Å; I346-F361 HydrophobicContact CG1-CG 4.26Å; I346-F361 HydrophobicContact CG2-CD1 4.45Å; I346-F361 HydrophobicContact CG2-CE1 4.33Å; I346-F361 HydrophobicContact CG2-CE2 4.5Å; I346-F361 HydrophobicContact CG2-CZ 4.34Å; I346-I380 HydrophobicContact CG2-CD1 4.3Å; I346-I380 HydrophobicContact CG2-CG2 4.09Å; I346-A382 HydrophobicContact CD1-CB 4.47Å; I346-V387 HydrophobicContact CD1-CG1 4.4Å; I346-V387 HydrophobicContact CD1-CG2 3.52Å; I346-V387 HydrophobicContact CG1-CG1 4.21Å; I346-V387 HydrophobicContact CG1-CG2 3.93Å; I346-V387 HydrophobicContact CG2-CG1 4.31Å
347Y92.6Very high79.3Confident11 Ų1140.6 Ų40.64%0.04322%0.215CC..EExtended strand (participates in β ladder)trans-139.5146.6179.565.4-85.4000111.8I345 Y349 I359 T360 L661 V662I345-Y347 HydrophobicContact CG2-CD1 4.18Å; Y347-Y349 HydrophobicContact CD2-CD1 4.39Å; Y347-Y349 HydrophobicContact CE2-CD1 4.02Å; Y347-Y349 HydrophobicContact CE2-CE1 4.49Å; Y347-I359 WeakPolarHBondContact O-CA 2.98Å; Y347-T360 HydrophobicContact CE1-CG2 3.77Å; Y347-T360 PolarHBondContact N-O 2.95Å; Y347-T360 VanDerWaalsContact N-O 3.13Å; Y347-T360 PolarHBondContact O-N 3.45Å; Y347-L661 HydrophobicContact CE2-CB 4.38Å; Y347-V662 HydrophobicContact CD2-CG2 4.45Å
348N90.2Very high79.1Confident12 Ų1240 Ų406%0.06421%0.21CC..EExtended strand (participates in β ladder)trans-94.2141.9172.8129.834000110.6K335 S350 S358 I359 L377 I380K335-N348 HydrophobicContact CB-CB 4.45Å; K335-N348 PolarHBondContact O-N 3.19Å; N348-S350 PolarHBondContact OD1-N 2.92Å; N348-S358 WeakPolarHBondContact CA-O 3.35Å; N348-I359 HydrophobicContact CB-CG1 4.43Å; N348-L377 HydrophobicContact CB-CD2 3.57Å; N348-L377 WeakPolarHBondContact ND2-CD2 3.37Å; N348-I380 HydrophobicContact CB-CD1 4.17Å
349Y82.8Confident79Confident9 Ų938.5 Ų38.54%0.03520%0.204CC..EExtended strand (participates in β ladder)trans-129.5143.5153.560.2-83.2000109.3Y347 R351 S358 T360 V665Y347-Y349 HydrophobicContact CD2-CD1 4.39Å; Y347-Y349 HydrophobicContact CE2-CD1 4.02Å; Y347-Y349 HydrophobicContact CE2-CE1 4.49Å; Y349-R351 HydrophobicContact CE2-CG 4.2Å; Y349-S358 VanDerWaalsContact CE2-CB 3.46Å; Y349-S358 PolarHBondContact N-O 3.2Å; Y349-S358 PolarHBondContact O-N 2.9Å; Y349-T360 WeakPolarHBondContact CE1-OG1 3.4Å; Y349-V665 HydrophobicContact CD2-CG1 4.17Å; Y349-V665 HydrophobicContact CD2-CG2 3.95Å; Y349-V665 HydrophobicContact CE2-CB 4.45Å; Y349-V665 HydrophobicContact CE2-CG1 3.61Å; Y349-V665 HydrophobicContact CE2-CG2 4.22Å
350S70.4Confident79Confident63 Ų6338.7 Ų38.744%0.44121%0.205SC..EExtended strand (participates in β ladder)trans-85.4129.6173.1-52.10000107.2N348 P352 H357N348-S350 PolarHBondContact OD1-N 2.92Å; S350-P352 WeakPolarHBondContact O-CD 3.45Å; S350-H357 PolarHBondContact OG-CE1 3.45Å; S350-H357 VanDerWaalsContact OG-CE1 3.22Å; S350-H357 PolarHBondContact OG-ND1 3.07Å; S350-H357 VanDerWaalsContact OG-ND1 3.08Å
351R62.5Low79.4Confident91 Ų9136.4 Ų36.434%0.34319%0.189SC..PPolyproline II helixtrans-70.3124.1170.3-72.4178.2-177.2-171.7-4107Y349 H353 T354 E356 S358Y349-R351 HydrophobicContact CE2-CG 4.2Å; R351-H353 PolarHBondContact O-N 2.99Å; R351-T354 WeakPolarHBondContact CB-OG1 3.46Å; R351-T354 PolarHBondContact O-N 3.35Å; R351-T354 VanDerWaalsContact O-N 3.14Å; R351-T354 PolarHBondContact O-OG1 3.45Å; R351-T354 VanDerWaalsContact O-OG1 3.13Å; R351-E356 PolarHBondContact N-O 3.19Å; R351-S358 PolarHBondContact NE-OG 3.29Å
352P54.2Low79.8Confident84 Ų8433.9 Ų33.955%0.54517%0.173SC..THydrogen-bonded Turntrans-52135.6177.116.5-25.7000108.9S350S350-P352 WeakPolarHBondContact O-CD 3.45Å
353H52.2Low80.2Confident83 Ų8331.3 Ų31.338%0.38416%0.161SC..THydrogen-bonded Turntrans7613.1179.1-35.8-52.9000116.9R222 R351R222-H353 PolarHBondContact NH2-CE1 3.28Å; R222-H353 VanDerWaalsContact NH2-CE1 3.35Å; R222-H353 PolarHBondContact NH2-ND1 2.93Å; R222-H353 VanDerWaalsContact NH2-ND1 3.2Å; R351-H353 PolarHBondContact O-N 2.99Å
354T57Low80.3Confident61 Ų6130.4 Ų30.437%0.37416%0.157SC..SBendtrans-132.5153.1170.466.20000111.8R351 E356R351-T354 WeakPolarHBondContact CB-OG1 3.46Å; R351-T354 PolarHBondContact O-N 3.35Å; R351-T354 VanDerWaalsContact O-N 3.14Å; R351-T354 PolarHBondContact O-OG1 3.45Å; R351-T354 VanDerWaalsContact O-OG1 3.13Å; T354-E356 PolarHBondContact O-N 3.19Å; T354-E356 PolarHBondContact OG1-N 2.99Å
355F57.5Low80Confident76 Ų7636.8 Ų36.833%0.33318%0.184SC..SBendtrans-79.27166.4-67.8-83.7000112.7M223 L224 F290 H376M223-F355 HydrophobicContact CB-CE2 4.48Å; L224-F355 HydrophobicContact CD2-CE1 3.56Å; L224-F355 HydrophobicContact CD2-CE2 4.45Å; L224-F355 HydrophobicContact CD2-CZ 3.45Å; L224-F355 VanDerWaalsContact CD2-CZ 3.45Å; L224-F355 HydrophobicContact CG-CE1 4.42Å; L224-F355 HydrophobicContact CG-CZ 3.92Å; F290-F355 AromaticContact CZ-CE1 3.95Å; F290-F355 HydrophobicContact CZ-CE1 3.95Å; F355-H376 AromaticContact CD1-CE1 3.85Å
356E70.9Confident79.7Confident63 Ų6340.7 Ų40.729%0.29421%0.208SC..EExtended strand (participates in β ladder)trans-85123.8179-72.8179.1-172.500109.7R351 T354 T373 H375R351-E356 PolarHBondContact N-O 3.19Å; T354-E356 PolarHBondContact O-N 3.19Å; T354-E356 PolarHBondContact OG1-N 2.99Å; E356-T373 HydrophobicContact CB-CG2 3.64Å; E356-T373 HydrophobicContact CG-CG2 3.87Å; E356-H375 WeakPolarHBondContact CG-CE1 3.36Å; E356-H375 IonicContact OE1-CE1 3.87Å; E356-H375 PolarHBondContact OE1-CE1 3.48Å
357H78.6Confident79.3Confident31 Ų3143.9 Ų43.914%0.14423%0.225CC..EExtended strand (participates in β ladder)trans-93.8123.2169-64.1-82.8000108.1S350 T373 V374 L377S350-H357 PolarHBondContact OG-CE1 3.45Å; S350-H357 VanDerWaalsContact OG-CE1 3.22Å; S350-H357 PolarHBondContact OG-ND1 3.07Å; S350-H357 VanDerWaalsContact OG-ND1 3.08Å; H357-T373 WeakPolarHBondContact O-CA 3.34Å; H357-V374 HydrophobicContact CB-CG2 4.12Å; H357-V374 PolarHBondContact N-O 3.15Å; H357-V374 PolarHBondContact O-N 3.35Å; H357-L377 HydrophobicContact CB-CB 3.9Å; H357-L377 HydrophobicContact CB-CD2 4.24Å; H357-L377 PolarHBondContact CD2-N 2.93Å
358S87.4Confident79.1Confident0 Ų050 Ų500%025%0.252CS..EExtended strand (participates in β ladder)trans-88.7126.8168.9-67.70000108.7N348 Y349 R351N348-S358 WeakPolarHBondContact CA-O 3.35Å; Y349-S358 VanDerWaalsContact CE2-CB 3.46Å; Y349-S358 PolarHBondContact N-O 3.2Å; Y349-S358 PolarHBondContact O-N 2.9Å; R351-S358 PolarHBondContact NE-OG 3.29Å
359I91.1Very high79Confident0 Ų051.5 Ų51.50%026%0.262CS..EExtended strand (participates in β ladder)trans-113.5118.6-178.9-59.8169.5000107.9I346 Y347 N348 F361 I371 I372 V374 L377 I380 L389I346-I359 HydrophobicContact CG2-CG2 3.54Å; Y347-I359 WeakPolarHBondContact O-CA 2.98Å; N348-I359 HydrophobicContact CB-CG1 4.43Å; I359-F361 HydrophobicContact CG2-CD2 4.34Å; I359-F361 HydrophobicContact CG2-CE2 3.86Å; I359-I371 WeakPolarHBondContact O-CA 3.5Å; I359-I372 PolarHBondContact N-O 3.19Å; I359-I372 PolarHBondContact O-N 3.42Å; I359-V374 HydrophobicContact CD1-CB 4.46Å; I359-V374 HydrophobicContact CD1-CG1 4.11Å; I359-V374 HydrophobicContact CD1-CG2 3.49Å; I359-V374 VanDerWaalsContact CD1-CG2 3.49Å; I359-V374 HydrophobicContact CG1-CG2 4.29Å; I359-L377 HydrophobicContact CD1-CD1 4.03Å; I359-L377 HydrophobicContact CD1-CD2 4.04Å; I359-L377 HydrophobicContact CG1-CD2 4.21Å; I359-I380 HydrophobicContact CD1-CD1 4.48Å; I359-I380 HydrophobicContact CG1-CD1 4.44Å; I359-I380 HydrophobicContact CG2-CD1 4.23Å; I359-L389 HydrophobicContact CD1-CD1 3.4Å; I359-L389 HydrophobicContact CD1-CD2 3.86Å; I359-L389 HydrophobicContact CD1-CG 4.21Å; I359-L389 HydrophobicContact CG2-CD2 4.38Å
360T91.8Very high79.3Confident3 Ų355.1 Ų55.12%0.01828%0.278CS..EExtended strand (participates in β ladder)trans-100.7123.5178.6-590000110I346 Y347 Y349 W362 T369 K370 I371I346-T360 VanDerWaalsContact CA-O 3.3Å; I346-T360 WeakPolarHBondContact CA-O 3.15Å; Y347-T360 HydrophobicContact CE1-CG2 3.77Å; Y347-T360 PolarHBondContact N-O 2.95Å; Y347-T360 VanDerWaalsContact N-O 3.13Å; Y347-T360 PolarHBondContact O-N 3.45Å; Y349-T360 WeakPolarHBondContact CE1-OG1 3.4Å; T360-W362 HydrophobicContact CG2-CB 4.41Å; T360-T369 HydrophobicContact CG2-CG2 4.02Å; T360-K370 WeakPolarHBondContact CA-O 3.43Å; T360-I371 HydrophobicContact CG2-CG1 4.39Å
361F92.9Very high80.2Confident4 Ų456 Ų562%0.01828%0.277CS..EExtended strand (participates in β ladder)trans-93.2107.6165.8-66.3-105.9000107.9T344 I346 I359 T369 K370 I372 V387 Y405 A407T344-F361 HydrophobicContact CG2-CB 4.27Å; I346-F361 HydrophobicContact CG1-CD1 3.63Å; I346-F361 HydrophobicContact CG1-CE1 3.9Å; I346-F361 HydrophobicContact CG1-CG 4.26Å; I346-F361 HydrophobicContact CG2-CD1 4.45Å; I346-F361 HydrophobicContact CG2-CE1 4.33Å; I346-F361 HydrophobicContact CG2-CE2 4.5Å; I346-F361 HydrophobicContact CG2-CZ 4.34Å; I359-F361 HydrophobicContact CG2-CD2 4.34Å; I359-F361 HydrophobicContact CG2-CE2 3.86Å; F361-T369 CarbonylContact O-C 3.55Å; F361-T369 VanDerWaalsContact O-CA 3.23Å; F361-T369 WeakPolarHBondContact O-CA 3.41Å; F361-K370 HydrophobicContact CB-CB 4.35Å; F361-K370 PolarHBondContact N-O 2.76Å; F361-K370 PolarHBondContact O-N 3.31Å; F361-I372 HydrophobicContact CD2-CD1 4.22Å; F361-I372 HydrophobicContact CD2-CG1 4.46Å; F361-I372 HydrophobicContact CE2-CD1 3.61Å; F361-I372 HydrophobicContact CE2-CG1 4.15Å; F361-I372 HydrophobicContact CZ-CD1 4.29Å; F361-V387 HydrophobicContact CE1-CB 4.08Å; F361-V387 HydrophobicContact CE1-CG1 4.13Å; F361-V387 HydrophobicContact CE1-CG2 4.02Å; F361-V387 HydrophobicContact CZ-CG1 4.43Å; F361-Y405 HydrophobicContact CZ-CD1 4.44Å; F361-Y405 HydrophobicContact CZ-CG 4.24Å; F361-A407 WeakPolarHBondContact CD1-O 3.35Å
362W92.5Very high81.5Confident1 Ų153.1 Ų53.10%0.00427%0.268CS..EExtended strand (participates in β ladder)trans-111106.5-179.1175.832.6000111.1T344 I345 T360 L364 N367 T369 L661 P669 N670 L674T344-W362 CarbonylContact C-O 3.49Å; T344-W362 VanDerWaalsContact CA-O 3.31Å; T344-W362 WeakPolarHBondContact CA-O 3.35Å; I345-W362 HydrophobicContact CB-CE3 4.3Å; I345-W362 HydrophobicContact CD1-CE3 4.17Å; I345-W362 HydrophobicContact CD1-CZ3 4.15Å; I345-W362 PolarHBondContact N-O 3.36Å; I345-W362 PolarHBondContact O-N 2.98Å; T360-W362 HydrophobicContact CG2-CB 4.41Å; W362-L364 HydrophobicContact CD2-CD2 3.66Å; W362-L364 HydrophobicContact CE3-CD2 3.78Å; W362-L364 HydrophobicContact CG-CD2 4.34Å; W362-L364 HydrophobicContact CH2-CD2 3.93Å; W362-L364 HydrophobicContact CZ2-CD2 3.79Å; W362-L364 HydrophobicContact CZ3-CD2 3.91Å; W362-L364 PolarHBondContact O-N 3.09Å; W362-N367 PolarHBondContact NE1-OD1 3Å; W362-T369 HydrophobicContact CB-CG2 4.06Å; W362-T369 HydrophobicContact CG-CG2 4.13Å; W362-L661 HydrophobicContact CZ3-CD1 4.19Å; W362-P669 HydrophobicContact CB-CG 4.24Å; W362-P669 HydrophobicContact CD2-CB 3.73Å; W362-P669 HydrophobicContact CD2-CG 3.65Å; W362-P669 HydrophobicContact CE3-CB 3.94Å; W362-P669 HydrophobicContact CE3-CG 4.26Å; W362-P669 HydrophobicContact CG-CB 4.25Å; W362-P669 HydrophobicContact CG-CG 3.61Å; W362-P669 HydrophobicContact CH2-CB 4.09Å; W362-P669 HydrophobicContact CZ2-CB 3.91Å; W362-P669 HydrophobicContact CZ2-CG 4.43Å; W362-P669 HydrophobicContact CZ3-CB 4.11Å; W362-N670 WeakPolarHBondContact CH2-O 3.41Å; W362-N670 WeakPolarHBondContact CZ2-O 3.26Å; W362-L674 HydrophobicContact CH2-CD1 3.94Å; W362-L674 HydrophobicContact CH2-CD2 3.71Å; W362-L674 HydrophobicContact CH2-CG 3.69Å; W362-L674 HydrophobicContact CZ2-CD1 4.31Å; W362-L674 HydrophobicContact CZ3-CD2 3.74Å; W362-L674 HydrophobicContact CZ3-CG 4.25Å
363N90.8Very high83Confident17 Ų1752 Ų529%0.09126%0.259CS..EExtended strand (participates in β ladder)trans-82.4115.2178.6-176.2-71000110.3E342 T344 K365 T366 N367 K368E342-N363 PolarHBondContact O-ND2 2.91Å; T344-N363 PolarHBondContact OG1-ND2 2.92Å; N363-K365 VanDerWaalsContact C-N 3.32Å; N363-K365 PolarHBondContact O-N 3.34Å; N363-K365 PolarHBondContact OD1-N 3.27Å; N363-K365 VanDerWaalsContact OD1-N 3.1Å; N363-T366 WeakPolarHBondContact CB-OG1 3.48Å; N363-T366 VanDerWaalsContact CG-OG1 3.28Å; N363-T366 PolarHBondContact OD1-N 3.4Å; N363-T366 PolarHBondContact OD1-OG1 3.35Å; N363-N367 WeakPolarHBondContact O-CA 3.23Å; N363-N367 PolarHBondContact O-N 3.14Å; N363-K368 PolarHBondContact N-O 3.2Å
364L89.9Confident84.6Confident29 Ų2948.9 Ų48.915%0.15225%0.246CC..THydrogen-bonded Turntrans-71.9-23.3-174-56.6-176.7000113.3Y338 N343 I345 W362 L674Y338-L364 HydrophobicContact CE2-CD1 4.24Å; N343-L364 HydrophobicContact CB-CB 4.19Å; N343-L364 VanDerWaalsContact O-CB 3.28Å; N343-L364 WeakPolarHBondContact O-CB 3.27Å; N343-L364 VanDerWaalsContact O-CG 3.24Å; N343-L364 WeakPolarHBondContact O-CG 3.24Å; N343-L364 PolarHBondContact O-N 2.86Å; I345-L364 HydrophobicContact CD1-CD1 4.03Å; I345-L364 HydrophobicContact CD1-CD2 3.94Å; I345-L364 HydrophobicContact CD1-CG 4.4Å; I345-L364 HydrophobicContact CG1-CD1 4.07Å; I345-L364 HydrophobicContact CG1-CD2 4.14Å; I345-L364 HydrophobicContact CG1-CG 4.26Å; W362-L364 HydrophobicContact CD2-CD2 3.66Å; W362-L364 HydrophobicContact CE3-CD2 3.78Å; W362-L364 HydrophobicContact CG-CD2 4.34Å; W362-L364 HydrophobicContact CH2-CD2 3.93Å; W362-L364 HydrophobicContact CZ2-CD2 3.79Å; W362-L364 HydrophobicContact CZ3-CD2 3.91Å; W362-L364 PolarHBondContact O-N 3.09Å; L364-L674 HydrophobicContact CD1-CD1 4.39Å; L364-L674 HydrophobicContact CD2-CD1 3.86Å; L364-L674 HydrophobicContact CD2-CD2 4.12Å
365K87.4Confident85.7Confident134 Ų13450.5 Ų50.558%0.58325%0.249SC*.THydrogen-bonded Turntrans-79-40.8179-71172.3-177.6159.50111.8T341 N343 N363T341-K365 PolarHBondContact O-NZ 3.5Å; N343-K365 HydrophobicContact CB-CD 4.36Å; N343-K365 HydrophobicContact CB-CG 4.12Å; N343-K365 VanDerWaalsContact CG-CE 3.41Å; N343-K365 VanDerWaalsContact ND2-CE 3.3Å; N343-K365 WeakPolarHBondContact ND2-CE 3.24Å; N363-K365 VanDerWaalsContact C-N 3.32Å; N363-K365 PolarHBondContact O-N 3.34Å; N363-K365 PolarHBondContact OD1-N 3.27Å; N363-K365 VanDerWaalsContact OD1-N 3.1Å
366T86.6Confident86.7Confident82 Ų8250.3 Ų50.350%0.50325%0.249SC..THydrogen-bonded Turntrans-99.1-10.8-176.160.90000113.3N363 K368N363-T366 WeakPolarHBondContact CB-OG1 3.48Å; N363-T366 VanDerWaalsContact CG-OG1 3.28Å; N363-T366 PolarHBondContact OD1-N 3.4Å; N363-T366 PolarHBondContact OD1-OG1 3.35Å; T366-K368 PolarHBondContact O-N 3.49Å; T366-K368 VanDerWaalsContact O-N 3.08Å; T366-K368 PolarHBondContact OG1-N 2.93Å
367N86.8Confident87.5Confident67 Ų6747.6 Ų47.636%0.35824%0.237SC..  trans52.620.9-169.9-157.134.1000114.4W362 N363 Q668 P669W362-N367 PolarHBondContact NE1-OD1 3Å; N363-N367 WeakPolarHBondContact O-CA 3.23Å; N363-N367 PolarHBondContact O-N 3.14Å; N367-Q668 PolarHBondContact O-NE2 2.79Å; N367-P669 PolarHBondContact OD1-O 3.24Å
368K86.7Confident87.9Confident141 Ų14147.2 Ų47.261%0.61324%0.236SC*.  trans-85.3145.3176-68.7-175.5177.9-177.80110N363 T366N363-K368 PolarHBondContact N-O 3.2Å; T366-K368 PolarHBondContact O-N 3.49Å; T366-K368 VanDerWaalsContact O-N 3.08Å; T366-K368 PolarHBondContact OG1-N 2.93Å
369T88.8Confident88.1Confident43 Ų4347.8 Ų47.826%0.26424%0.238SC..EExtended strand (participates in β ladder)trans-120.1145.7175.848.20000110.5T360 F361 W362 Q668 P669T360-T369 HydrophobicContact CG2-CG2 4.02Å; F361-T369 CarbonylContact O-C 3.55Å; F361-T369 VanDerWaalsContact O-CA 3.23Å; F361-T369 WeakPolarHBondContact O-CA 3.41Å; W362-T369 HydrophobicContact CB-CG2 4.06Å; W362-T369 HydrophobicContact CG-CG2 4.13Å; T369-Q668 VanDerWaalsContact OG1-CD 3.29Å; T369-Q668 PolarHBondContact OG1-NE2 3.38Å; T369-Q668 PolarHBondContact OG1-OE1 2.81Å; T369-P669 HydrophobicContact CG2-CG 3.46Å; T369-P669 VanDerWaalsContact CG2-CG 3.46Å
370K88.2Confident88.2Confident84 Ų8448 Ų4837%0.36524%0.24SC..EExtended strand (participates in β ladder)trans-128.8130.6166.2-171.5-179.2-172.7179.90108.5T360 F361 I408 G409T360-K370 WeakPolarHBondContact CA-O 3.43Å; F361-K370 HydrophobicContact CB-CB 4.35Å; F361-K370 PolarHBondContact N-O 2.76Å; F361-K370 PolarHBondContact O-N 3.31Å; K370-I408 WeakPolarHBondContact CD-O 3.5Å; K370-G409 WeakPolarHBondContact CE-O 3.42Å; K370-G409 PolarHBondContact NZ-O 3.49Å
371I89.6Confident88.2Confident82 Ų8248.3 Ų48.342%0.42124%0.242SC..EExtended strand (participates in β ladder)trans-110.3132.2-180-56.1174.4000108.4I359 T360I359-I371 WeakPolarHBondContact O-CA 3.5Å; T360-I371 HydrophobicContact CG2-CG1 4.39Å
372I90.1Very high88.2Confident30 Ų3049.1 Ų49.115%0.15425%0.249CC..EExtended strand (participates in β ladder)trans-124142.9174.5-53.8179.9000107.7I359 F361 V374 Y405 G409I359-I372 PolarHBondContact N-O 3.19Å; I359-I372 PolarHBondContact O-N 3.42Å; F361-I372 HydrophobicContact CD2-CD1 4.22Å; F361-I372 HydrophobicContact CD2-CG1 4.46Å; F361-I372 HydrophobicContact CE2-CD1 3.61Å; F361-I372 HydrophobicContact CE2-CG1 4.15Å; F361-I372 HydrophobicContact CZ-CD1 4.29Å; I372-V374 HydrophobicContact CG2-CG1 4.39Å; I372-Y405 HydrophobicContact CD1-CD1 3.89Å; I372-Y405 HydrophobicContact CD1-CE1 3.56Å; I372-G409 VanDerWaalsContact CD1-O 3.3Å; I372-G409 WeakPolarHBondContact CD1-O 3.45Å
373T86.7Confident88Confident61 Ų6149.5 Ų49.537%0.37425%0.252SS..EExtended strand (participates in β ladder)trans-106.8134.4175.5-51.10000109.8E356 H357E356-T373 HydrophobicContact CB-CG2 3.64Å; E356-T373 HydrophobicContact CG-CG2 3.87Å; H357-T373 WeakPolarHBondContact O-CA 3.34Å
374V85.9Confident87.7Confident17 Ų1752.7 Ų52.710%0.10327%0.266CS..EExtended strand (participates in β ladder)trans-133.9154175.5-58.40000110.7H357 I359 I372 L377 L389H357-V374 HydrophobicContact CB-CG2 4.12Å; H357-V374 PolarHBondContact N-O 3.15Å; H357-V374 PolarHBondContact O-N 3.35Å; I359-V374 HydrophobicContact CD1-CB 4.46Å; I359-V374 HydrophobicContact CD1-CG1 4.11Å; I359-V374 HydrophobicContact CD1-CG2 3.49Å; I359-V374 VanDerWaalsContact CD1-CG2 3.49Å; I359-V374 HydrophobicContact CG1-CG2 4.29Å; I372-V374 HydrophobicContact CG2-CG1 4.39Å; V374-L377 HydrophobicContact CG2-CB 3.96Å; V374-L377 HydrophobicContact CG2-CD1 4.3Å; V374-L389 HydrophobicContact CG1-CD1 4.26Å
375H79.4Confident87.5Confident95 Ų9552.7 Ų52.744%0.4427%0.266SS..EExtended strand (participates in β ladder)trans-93.4141.7172.5-63.2-71.6000110.7E356 L377E356-H375 WeakPolarHBondContact CG-CE1 3.36Å; E356-H375 IonicContact OE1-CE1 3.87Å; E356-H375 PolarHBondContact OE1-CE1 3.48Å; H375-L377 PolarHBondContact O-N 3.48Å
376H78.3Confident87.6Confident73 Ų7347.2 Ų47.234%0.33824%0.242SC..SBendtrans45.558.3174.8-57.4-70.1000114.5F355 I378 C391 K392F355-H376 AromaticContact CD1-CE1 3.85Å; H376-I378 PolarHBondContact O-N 3.01Å; H376-C391 WeakPolarHBondContact O-CA 3.47Å; H376-K392 HydrophobicContact CB-CB 3.88Å; H376-K392 WeakPolarHBondContact CB-O 3.49Å; H376-K392 PolarHBondContact O-N 2.89Å
377L86.8Confident87.8Confident5 Ų543.3 Ų43.33%0.02622%0.218CC..EExtended strand (participates in β ladder)trans-63.9124.5174178.369.1000109.9K335 N348 H357 I359 V374 H375 D379 I380K335-L377 HydrophobicContact CB-CD2 4.33Å; K335-L377 HydrophobicContact CD-CD2 4.1Å; K335-L377 HydrophobicContact CD-CG 4.12Å; K335-L377 PolarHBondContact NZ-O 3.3Å; N348-L377 HydrophobicContact CB-CD2 3.57Å; N348-L377 WeakPolarHBondContact ND2-CD2 3.37Å; H357-L377 HydrophobicContact CB-CB 3.9Å; H357-L377 HydrophobicContact CB-CD2 4.24Å; H357-L377 PolarHBondContact CD2-N 2.93Å; I359-L377 HydrophobicContact CD1-CD1 4.03Å; I359-L377 HydrophobicContact CD1-CD2 4.04Å; I359-L377 HydrophobicContact CG1-CD2 4.21Å; V374-L377 HydrophobicContact CG2-CB 3.96Å; V374-L377 HydrophobicContact CG2-CD1 4.3Å; H375-L377 PolarHBondContact O-N 3.48Å; L377-D379 WeakPolarHBondContact CD1-O 3.43Å; L377-I380 HydrophobicContact CD1-CG1 4.03Å; L377-I380 HydrophobicContact CD2-CD1 3.89Å; L377-I380 HydrophobicContact CD2-CG1 3.95Å; L377-I380 HydrophobicContact CG-CG1 4.44Å
378I87.7Confident88.2Confident24 Ų2440.1 Ų40.112%0.12320%0.201CC..EExtended strand (participates in β ladder)trans-92.3-50.8178-56.6175000110.3K335 H376 I390 K392 V400 E420 P421K335-I378 VanDerWaalsContact CD-O 3.27Å; K335-I378 WeakPolarHBondContact CD-O 3.49Å; K335-I378 WeakPolarHBondContact CE-O 3.49Å; K335-I378 PolarHBondContact NZ-O 2.94Å; H376-I378 PolarHBondContact O-N 3.01Å; I378-I390 WeakPolarHBondContact CA-O 3.49Å; I378-I390 HydrophobicContact CB-CB 4.39Å; I378-I390 HydrophobicContact CB-CG2 3.94Å; I378-I390 WeakPolarHBondContact CB-O 3.43Å; I378-I390 HydrophobicContact CD1-CG2 4.21Å; I378-I390 HydrophobicContact CG2-CG2 4.41Å; I378-I390 PolarHBondContact N-O 3.47Å; I378-K392 HydrophobicContact CD1-CB 3.96Å; I378-K392 HydrophobicContact CG1-CB 4.33Å; I378-V400 HydrophobicContact CD1-CB 4.25Å; I378-V400 HydrophobicContact CD1-CG1 3.66Å; I378-V400 HydrophobicContact CD1-CG2 3.5Å; I378-E420 HydrophobicContact CD1-CG 4.06Å; I378-P421 HydrophobicContact CG2-CG 4.26Å; I378-P421 WeakPolarHBondContact CG2-O 3.43Å
379D91.1Very high88.5Confident11 Ų1133.5 Ų33.56%0.05917%0.172CC..EExtended strand (participates in β ladder)trans-157.1164.3-178.5-160.413.4000112.4L377 I390 S424L377-D379 WeakPolarHBondContact CD1-O 3.43Å; D379-I390 HydrophobicContact CB-CB 4.46Å; D379-I390 HydrophobicContact CB-CD1 4.29Å; D379-I390 PolarHBondContact N-O 3.46Å; D379-I390 PolarHBondContact O-N 3.4Å; D379-S424 WeakPolarHBondContact OD2-CB 3.49Å; D379-S424 PolarHBondContact OD2-N 3.45Å; D379-S424 PolarHBondContact OD2-OG 2.67Å
380I93.7Very high88.8Confident6 Ų631.4 Ų31.43%0.03116%0.16CC..EExtended strand (participates in β ladder)trans-130.3124174.3-55.5-176.7000108.3K335 A337 I346 N348 I359 L377 V387 L389K335-I380 HydrophobicContact CB-CD1 4.38Å; K335-I380 HydrophobicContact CB-CG1 4.21Å; A337-I380 HydrophobicContact CB-CG2 3.8Å; I346-I380 HydrophobicContact CG2-CD1 4.3Å; I346-I380 HydrophobicContact CG2-CG2 4.09Å; N348-I380 HydrophobicContact CB-CD1 4.17Å; I359-I380 HydrophobicContact CD1-CD1 4.48Å; I359-I380 HydrophobicContact CG1-CD1 4.44Å; I359-I380 HydrophobicContact CG2-CD1 4.23Å; L377-I380 HydrophobicContact CD1-CG1 4.03Å; L377-I380 HydrophobicContact CD2-CD1 3.89Å; L377-I380 HydrophobicContact CD2-CG1 3.95Å; L377-I380 HydrophobicContact CG-CG1 4.44Å; I380-V387 HydrophobicContact CG2-CG1 4.06Å; I380-L389 HydrophobicContact CB-CD2 4.42Å; I380-L389 HydrophobicContact CD1-CD2 4.19Å; I380-L389 HydrophobicContact CG1-CD2 3.91Å; I380-L389 HydrophobicContact CG2-CD2 3.98Å
381C93Very high88.9Confident9 Ų928.1 Ų28.16%0.06115%0.147CC..EExtended strand (participates in β ladder)trans-124.7151.7168.553.70000110.8V387 C388 S424 M426C381-V387 CarbonylContact O-C 3.55Å; C381-V387 WeakPolarHBondContact O-CA 3.3Å; C381-C388 PolarHBondContact N-O 3.18Å; C381-C388 VanDerWaalsContact N-O 3.13Å; C381-C388 PolarHBondContact O-N 2.87Å; C381-S424 PolarHBondContact SG-OG 3.38Å; C381-S424 VanDerWaalsContact SG-OG 3.41Å; C381-M426 HydrophobicContact CB-CB 4.11Å
382A92.1Very high88.6Confident21 Ų2127.3 Ų27.317%0.17414%0.141CC..EExtended strand (participates in β ladder)trans-140.5148.717700000110.3A337 I346 Y386 V387A337-A382 HydrophobicContact CB-CB 3.56Å; I346-A382 HydrophobicContact CD1-CB 4.47Å; A382-Y386 VanDerWaalsContact CA-O 3.3Å; A382-Y386 WeakPolarHBondContact CA-O 3.33Å; A382-V387 HydrophobicContact CB-CB 4.47Å; A382-V387 HydrophobicContact CB-CG2 3.96Å
383S87.9Confident87.9Confident9 Ų927 Ų276%0.06314%0.14CC..EExtended strand (participates in β ladder)trans-151.6132.1172.1-161.60000108.9D385 Y386 M426 T427 S428S383-D385 PolarHBondContact O-N 3Å; S383-Y386 PolarHBondContact N-O 3.29Å; S383-Y386 PolarHBondContact O-N 3.13Å; S383-M426 WeakPolarHBondContact CB-O 3.44Å; S383-M426 PolarHBondContact OG-O 3.27Å; S383-T427 VanDerWaalsContact OG-C 3.29Å; S383-S428 PolarHBondContact OG-N 3.22Å
384E84.9Confident87.1Confident84 Ų8428.3 Ų28.339%0.39315%0.152SC..THydrogen-bonded Turntrans47.9-123.1-176.9-59.9-177.4179.300111.2S339 T341 Y386 S428S339-E384 VanDerWaalsContact CB-O 3.31Å; S339-E384 WeakPolarHBondContact CB-O 3.31Å; S339-E384 PolarHBondContact OG-O 2.9Å; T341-E384 HydrophobicContact CG2-CB 4.01Å; T341-E384 HydrophobicContact CG2-CG 4.38Å; T341-E384 PolarHBondContact OG1-O 3.1Å; T341-E384 VanDerWaalsContact OG1-O 3.06Å; E384-Y386 VanDerWaalsContact C-N 3.28Å; E384-Y386 PolarHBondContact O-N 3.25Å; E384-S428 WeakPolarHBondContact OE1-CB 3.47Å; E384-S428 VanDerWaalsContact OE2-CB 3.25Å; E384-S428 WeakPolarHBondContact OE2-CB 3.32Å
385D85.5Confident86.1Confident28 Ų2832 Ų3215%0.1517%0.171CC..THydrogen-bonded Turntrans-82.1-1.7-173.9-57.2-21.4000113.7T341 S383 A407 K448T341-D385 WeakPolarHBondContact CB-OD1 3.41Å; T341-D385 PolarHBondContact OG1-N 3.38Å; T341-D385 PolarHBondContact OG1-OD1 3.15Å; S383-D385 PolarHBondContact O-N 3Å; D385-A407 PolarHBondContact O-N 2.99Å; D385-K448 IonicContact OD2-NZ 2.67Å; D385-K448 PolarHBondContact OD2-NZ 2.89Å
386Y89Confident85.1Confident20 Ų2033.2 Ų33.28%0.07819%0.185CC..EExtended strand (participates in β ladder)trans-124.1149.9-165.8-55.2-75.1000113.1A382 S383 E384 M404 Y405 I412 M426 Y444 T446A382-Y386 VanDerWaalsContact CA-O 3.3Å; A382-Y386 WeakPolarHBondContact CA-O 3.33Å; S383-Y386 PolarHBondContact N-O 3.29Å; S383-Y386 PolarHBondContact O-N 3.13Å; E384-Y386 VanDerWaalsContact C-N 3.28Å; E384-Y386 PolarHBondContact O-N 3.25Å; Y386-M404 HydrophobicContact CD1-CE 4.26Å; Y386-M404 HydrophobicContact CG-CE 4.12Å; Y386-Y405 WeakPolarHBondContact CA-O 3.34Å; Y386-I412 HydrophobicContact CD1-CD1 3.57Å; Y386-I412 HydrophobicContact CE1-CD1 3.64Å; Y386-M426 HydrophobicContact CG-CE 4.41Å; Y386-Y444 HydrophobicContact CD2-CE2 4.13Å; Y386-Y444 HydrophobicContact CE2-CE2 4.45Å; Y386-Y444 HydrophobicContact CG-CE2 4.45Å; Y386-T446 HydrophobicContact CD2-CG2 4.33Å; Y386-T446 HydrophobicContact CE2-CG2 3.45Å; Y386-T446 VanDerWaalsContact CE2-CG2 3.45Å; Y386-T446 WeakPolarHBondContact OH-CB 3.26Å
387V92.5Very high84.3Confident0 Ų035 Ų350%021%0.206CC..EExtended strand (participates in β ladder)trans-133.9131.4-178.8-177.50000108I346 F361 I380 C381 A382 L389 M404 Y405I346-V387 HydrophobicContact CD1-CG1 4.4Å; I346-V387 HydrophobicContact CD1-CG2 3.52Å; I346-V387 HydrophobicContact CG1-CG1 4.21Å; I346-V387 HydrophobicContact CG1-CG2 3.93Å; I346-V387 HydrophobicContact CG2-CG1 4.31Å; F361-V387 HydrophobicContact CE1-CB 4.08Å; F361-V387 HydrophobicContact CE1-CG1 4.13Å; F361-V387 HydrophobicContact CE1-CG2 4.02Å; F361-V387 HydrophobicContact CZ-CG1 4.43Å; I380-V387 HydrophobicContact CG2-CG1 4.06Å; C381-V387 CarbonylContact O-C 3.55Å; C381-V387 WeakPolarHBondContact O-CA 3.3Å; A382-V387 HydrophobicContact CB-CB 4.47Å; A382-V387 HydrophobicContact CB-CG2 3.96Å; V387-L389 HydrophobicContact CG1-CD2 4.21Å; V387-M404 CarbonylContact O-C 3.49Å; V387-Y405 PolarHBondContact N-O 2.67Å; V387-Y405 WeakPolarHBondContact O-CA 3.16Å; V387-Y405 PolarHBondContact O-N 3.48Å
388C93.4Very high83.2Confident0 Ų038.3 Ų38.30%022%0.221CC..EExtended strand (participates in β ladder)trans-109.3126.7173.2-177.80000110C381 T403 M404 M426 I431C381-C388 PolarHBondContact N-O 3.18Å; C381-C388 VanDerWaalsContact N-O 3.13Å; C381-C388 PolarHBondContact O-N 2.87Å; C388-T403 WeakPolarHBondContact CA-O 3.01Å; C388-M404 HydrophobicContact CB-SD 3.9Å; C388-M426 HydrophobicContact CB-SD 4.21Å; C388-I431 HydrophobicContact CB-CD1 3.87Å; C388-I431 HydrophobicContact CB-CG1 4.41Å
389L94.3Very high82.8Confident1 Ų138 Ų381%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-100131170.5-56.8-172000109.3I359 V374 I380 V387 L402 T403 Y405I359-L389 HydrophobicContact CD1-CD1 3.4Å; I359-L389 HydrophobicContact CD1-CD2 3.86Å; I359-L389 HydrophobicContact CD1-CG 4.21Å; I359-L389 HydrophobicContact CG2-CD2 4.38Å; V374-L389 HydrophobicContact CG1-CD1 4.26Å; I380-L389 HydrophobicContact CB-CD2 4.42Å; I380-L389 HydrophobicContact CD1-CD2 4.19Å; I380-L389 HydrophobicContact CG1-CD2 3.91Å; I380-L389 HydrophobicContact CG2-CD2 3.98Å; V387-L389 HydrophobicContact CG1-CD2 4.21Å; L389-L402 CarbonylContact O-C 3.59Å; L389-L402 WeakPolarHBondContact O-CA 2.81Å; L389-T403 PolarHBondContact N-O 3.23Å; L389-T403 PolarHBondContact O-N 3.44Å; L389-Y405 HydrophobicContact CB-CD2 4.36Å; L389-Y405 HydrophobicContact CB-CE2 4.04Å; L389-Y405 HydrophobicContact CD1-CD2 3.85Å; L389-Y405 HydrophobicContact CD1-CE2 3.39Å; L389-Y405 HydrophobicContact CG-CD2 3.72Å; L389-Y405 HydrophobicContact CG-CE2 3.65Å
390I93.8Very high82.7Confident0 Ų037.6 Ų37.60%022%0.222CC..EExtended strand (participates in β ladder)trans-111.7114-179.6-54.6-171.9000107.8I378 D379 V400 L402 P421 S424 L433I378-I390 WeakPolarHBondContact CA-O 3.49Å; I378-I390 HydrophobicContact CB-CB 4.39Å; I378-I390 HydrophobicContact CB-CG2 3.94Å; I378-I390 WeakPolarHBondContact CB-O 3.43Å; I378-I390 HydrophobicContact CD1-CG2 4.21Å; I378-I390 HydrophobicContact CG2-CG2 4.41Å; I378-I390 PolarHBondContact N-O 3.47Å; D379-I390 HydrophobicContact CB-CB 4.46Å; D379-I390 HydrophobicContact CB-CD1 4.29Å; D379-I390 PolarHBondContact N-O 3.46Å; D379-I390 PolarHBondContact O-N 3.4Å; I390-V400 HydrophobicContact CG2-CG1 3.32Å; I390-L402 HydrophobicContact CB-CD2 4.19Å; I390-L402 HydrophobicContact CD1-CD2 3.91Å; I390-L402 HydrophobicContact CG1-CD2 3.69Å; I390-L402 HydrophobicContact CG2-CD2 3.82Å; I390-P421 HydrophobicContact CD1-CG 4.35Å; I390-P421 HydrophobicContact CG2-CG 3.79Å; I390-S424 WeakPolarHBondContact CD1-OG 3.26Å; I390-L433 HydrophobicContact CD1-CD2 3.34Å
391C90.1Very high82.5Confident15 Ų1539.2 Ų39.210%0.10123%0.231CC..EExtended strand (participates in β ladder)trans-128144.7-173.4-60.10000111.5H376 V400 I401H376-C391 WeakPolarHBondContact O-CA 3.47Å; C391-V400 WeakPolarHBondContact O-CG1 3.33Å; C391-I401 PolarHBondContact N-O 3.43Å; C391-I401 PolarHBondContact O-N 3.03Å
392K84.1Confident82.5Confident65 Ų6538.8 Ų38.828%0.28323%0.228SC..  trans-90.5123171.7-162.3171.3-175.5164.40109.5H376 I378 E420H376-K392 HydrophobicContact CB-CB 3.88Å; H376-K392 WeakPolarHBondContact CB-O 3.49Å; H376-K392 PolarHBondContact O-N 2.89Å; I378-K392 HydrophobicContact CD1-CB 3.96Å; I378-K392 HydrophobicContact CG1-CB 4.33Å; K392-E420 IonicContact NZ-OE2 2.71Å; K392-E420 PolarHBondContact NZ-OE2 3.18Å
393P76.4Confident82.5Confident22 Ų2238.7 Ų38.714%0.14323%0.225CC..  trans-61.6151.4169.426.8-30.1000110.5D395 Q398 G399 I401P393-D395 PolarHBondContact O-N 3.41Å; P393-Q398 HydrophobicContact CB-CB 4.34Å; P393-Q398 HydrophobicContact CG-CB 3.73Å; P393-G399 WeakPolarHBondContact CD-O 3.33Å; P393-G399 WeakPolarHBondContact CG-O 3.48Å; P393-I401 HydrophobicContact CB-CD1 4.03Å; P393-I401 HydrophobicContact CG-CD1 4.25Å; P393-I401 HydrophobicContact CG-CG1 4.4Å
394S68.6Low82.6Confident89 Ų8938.4 Ų38.462%0.62222%0.223SC*.SBendtrans-59.8-30.7-179.6-52.40000112.9V396S394-V396 PolarHBondContact O-N 3.42Å
395D65Low82.9Confident94 Ų9435.7 Ų35.750%0.50321%0.209SC..SBendtrans-79.5107.3171.7-74.7-17.3000110.3P393 S397 Q398P393-D395 PolarHBondContact O-N 3.41Å; D395-S397 PolarHBondContact O-N 2.87Å; D395-Q398 HydrophobicContact CB-CB 4.44Å; D395-Q398 HydrophobicContact CB-CG 3.77Å; D395-Q398 PolarHBondContact O-N 3.12Å; D395-Q398 PolarHBondContact OD2-NE2 3.22Å
396V59.2Low83.1Confident121 Ų12136.3 Ų36.373%0.73321%0.214SC*.G310 helixtrans-55.1-24.2-179.1-173.10000112.7S394 Q398S394-V396 PolarHBondContact O-N 3.42Å; V396-Q398 VanDerWaalsContact C-N 3.31Å; V396-Q398 PolarHBondContact O-N 3.38Å
397S60.9Low82.9Confident112 Ų11235.5 Ų35.578%0.78321%0.211SC*.G310 helixtrans-76.7-8.717958.90000114.9D395D395-S397 PolarHBondContact O-N 2.87Å
398Q64Low82.6Confident73 Ų7340.5 Ų40.534%0.34124%0.237SC..G310 helixtrans-9910.5-169.4-63.2-165.626.200115.5P393 D395 V396P393-Q398 HydrophobicContact CB-CB 4.34Å; P393-Q398 HydrophobicContact CG-CB 3.73Å; D395-Q398 HydrophobicContact CB-CB 4.44Å; D395-Q398 HydrophobicContact CB-CG 3.77Å; D395-Q398 PolarHBondContact O-N 3.12Å; D395-Q398 PolarHBondContact OD2-NE2 3.22Å; V396-Q398 VanDerWaalsContact C-N 3.31Å; V396-Q398 PolarHBondContact O-N 3.38Å
399G78.6Confident82.3Confident18 Ų1840.6 Ų40.619%0.18624%0.238CC..  trans72.7-149.8-179.900000112.7P393 V417P393-G399 WeakPolarHBondContact CD-O 3.33Å; P393-G399 WeakPolarHBondContact CG-O 3.48Å; G399-V417 CarbonylContact C-O 3.52Å; G399-V417 WeakPolarHBondContact CA-O 3.36Å
400V88.7Confident82Confident2 Ų244.3 Ų44.31%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-119.3143.7177.7172.70000109.6I378 I390 C391 L402 R416 V417 E420I378-V400 HydrophobicContact CD1-CB 4.25Å; I378-V400 HydrophobicContact CD1-CG1 3.66Å; I378-V400 HydrophobicContact CD1-CG2 3.5Å; I390-V400 HydrophobicContact CG2-CG1 3.32Å; C391-V400 WeakPolarHBondContact O-CG1 3.33Å; V400-L402 HydrophobicContact CG1-CD2 4.48Å; V400-R416 CarbonylContact O-C 3.54Å; V400-R416 WeakPolarHBondContact O-CA 3.3Å; V400-V417 PolarHBondContact N-O 3.1Å; V400-V417 PolarHBondContact O-N 3.1Å; V400-E420 HydrophobicContact CG2-CB 4.34Å
401I90.9Very high81.7Confident41 Ų4147 Ų4721%0.2128%0.282CS..EExtended strand (participates in β ladder)trans-105.8120179-57.4170.5000109.1C391 P393 R416C391-I401 PolarHBondContact N-O 3.43Å; C391-I401 PolarHBondContact O-N 3.03Å; P393-I401 HydrophobicContact CB-CD1 4.03Å; P393-I401 HydrophobicContact CG-CD1 4.25Å; P393-I401 HydrophobicContact CG-CG1 4.4Å; I401-R416 HydrophobicContact CG1-CG 4.28Å
402L92.1Very high81.6Confident0 Ų050 Ų500%030%0.297CS..EExtended strand (participates in β ladder)trans-89.6124.9166.6-45.7-179.9000108L389 I390 V400 S414 K415 V417 L433 Y440 W442L389-L402 CarbonylContact O-C 3.59Å; L389-L402 WeakPolarHBondContact O-CA 2.81Å; I390-L402 HydrophobicContact CB-CD2 4.19Å; I390-L402 HydrophobicContact CD1-CD2 3.91Å; I390-L402 HydrophobicContact CG1-CD2 3.69Å; I390-L402 HydrophobicContact CG2-CD2 3.82Å; V400-L402 HydrophobicContact CG1-CD2 4.48Å; L402-S414 CarbonylContact O-C 3.57Å; L402-S414 WeakPolarHBondContact O-CA 3.26Å; L402-K415 HydrophobicContact CB-CB 4.48Å; L402-K415 PolarHBondContact N-O 3.17Å; L402-K415 PolarHBondContact O-N 2.88Å; L402-V417 HydrophobicContact CD1-CG2 3.7Å; L402-V417 HydrophobicContact CD2-CG2 4.47Å; L402-V417 HydrophobicContact CG-CG2 3.93Å; L402-L433 HydrophobicContact CD1-CD1 3.85Å; L402-L433 HydrophobicContact CD2-CD1 3.67Å; L402-L433 HydrophobicContact CD2-CD2 4.29Å; L402-L433 HydrophobicContact CG-CD1 4.3Å; L402-Y440 HydrophobicContact CD1-CE1 4.3Å; L402-W442 HydrophobicContact CD1-CE3 4.11Å
403T91.7Very high81.6Confident18 Ų1849.4 Ų49.411%0.1130%0.295CS..EExtended strand (participates in β ladder)trans-122118.1175.1-52.90000109.2C388 L389 Y405 A411C388-T403 WeakPolarHBondContact CA-O 3.01Å; L389-T403 PolarHBondContact N-O 3.23Å; L389-T403 PolarHBondContact O-N 3.44Å; T403-Y405 HydrophobicContact CG2-CD2 3.95Å; T403-Y405 HydrophobicContact CG2-CE2 3.22Å; T403-Y405 VanDerWaalsContact O-CD2 3.3Å; T403-Y405 WeakPolarHBondContact O-CD2 3.26Å; T403-A411 HydrophobicContact CG2-CB 4.28Å
404M90.9Very high82.1Confident4 Ų451.8 Ų51.82%0.0231%0.312CS..EExtended strand (participates in β ladder)trans-80.5133.1175.1-76.9-73.2-69.700110.2Y386 V387 C388 A411 I412 E413 M426 I431 W442 Y444Y386-M404 HydrophobicContact CD1-CE 4.26Å; Y386-M404 HydrophobicContact CG-CE 4.12Å; V387-M404 CarbonylContact O-C 3.49Å; C388-M404 HydrophobicContact CB-SD 3.9Å; M404-A411 CarbonylContact O-C 3.52Å; M404-A411 WeakPolarHBondContact O-CA 3.31Å; M404-I412 HydrophobicContact CB-CB 4.38Å; M404-I412 PolarHBondContact O-N 3.27Å; M404-E413 HydrophobicContact CB-CB 4.47Å; M404-E413 PolarHBondContact N-O 3.29Å; M404-M426 HydrophobicContact CE-CE 3.41Å; M404-M426 VanDerWaalsContact CE-CE 3.41Å; M404-M426 HydrophobicContact SD-CE 3.6Å; M404-M426 VanDerWaalsContact SD-CE 3.6Å; M404-M426 HydrophobicContact SD-SD 4.48Å; M404-I431 HydrophobicContact CG-CD1 3.98Å; M404-I431 HydrophobicContact SD-CD1 3.35Å; M404-I431 WeakPolarHBondContact SD-CD1 3.3Å; M404-I431 HydrophobicContact SD-CG1 4.25Å; M404-W442 HydrophobicContact CG-CH2 3.99Å; M404-W442 HydrophobicContact CG-CZ3 3.8Å; M404-Y444 HydrophobicContact CE-CD1 4.11Å; M404-Y444 HydrophobicContact CE-CD2 3.6Å; M404-Y444 HydrophobicContact CE-CE1 4.13Å; M404-Y444 HydrophobicContact CE-CE2 3.6Å; M404-Y444 HydrophobicContact CE-CG 3.86Å
405Y91Very high83Confident27 Ų2749.2 Ų49.211%0.10629%0.29CS..EExtended strand (participates in β ladder)trans-126152.4176.4-70.1-97.5000110.3F361 I372 Y386 V387 L389 T403 V410 A411F361-Y405 HydrophobicContact CZ-CD1 4.44Å; F361-Y405 HydrophobicContact CZ-CG 4.24Å; I372-Y405 HydrophobicContact CD1-CD1 3.89Å; I372-Y405 HydrophobicContact CD1-CE1 3.56Å; Y386-Y405 WeakPolarHBondContact CA-O 3.34Å; V387-Y405 PolarHBondContact N-O 2.67Å; V387-Y405 WeakPolarHBondContact O-CA 3.16Å; V387-Y405 PolarHBondContact O-N 3.48Å; L389-Y405 HydrophobicContact CB-CD2 4.36Å; L389-Y405 HydrophobicContact CB-CE2 4.04Å; L389-Y405 HydrophobicContact CD1-CD2 3.85Å; L389-Y405 HydrophobicContact CD1-CE2 3.39Å; L389-Y405 HydrophobicContact CG-CD2 3.72Å; L389-Y405 HydrophobicContact CG-CE2 3.65Å; T403-Y405 HydrophobicContact CG2-CD2 3.95Å; T403-Y405 HydrophobicContact CG2-CE2 3.22Å; T403-Y405 VanDerWaalsContact O-CD2 3.3Å; T403-Y405 WeakPolarHBondContact O-CD2 3.26Å; Y405-V410 CarbonylContact C-O 3.49Å; Y405-V410 WeakPolarHBondContact CA-O 3.3Å; Y405-A411 HydrophobicContact CD1-CB 4.02Å; Y405-A411 HydrophobicContact CE1-CB 3.69Å
406T89.6Confident84.1Confident41 Ų4152 Ų5225%0.25229%0.293SS..EExtended strand (participates in β ladder)trans-68.9159.7159.964.50000110.1I408 G409 V410 I412T406-I408 PolarHBondContact O-N 2.71Å; T406-G409 WeakPolarHBondContact O-CA 3.33Å; T406-G409 PolarHBondContact O-N 3.39Å; T406-V410 HydrophobicContact CG2-CB 4.36Å; T406-V410 PolarHBondContact N-O 3.37Å; T406-V410 WeakPolarHBondContact OG1-CB 3.4Å; T406-V410 PolarHBondContact OG1-N 3.42Å; T406-V410 VanDerWaalsContact OG1-N 3.11Å; T406-I412 HydrophobicContact CG2-CD1 3.69Å; T406-I412 HydrophobicContact CG2-CG1 3.94Å
407A85.5Confident85.5Confident2 Ų246.3 Ų46.32%0.01726%0.259CS..THydrogen-bonded Turntrans-59.7-12.3173.800000114.2E342 T344 F361 D385E342-A407 HydrophobicContact CB-CB 3.66Å; E342-A407 HydrophobicContact CG-CB 3.86Å; T344-A407 WeakPolarHBondContact CG2-O 3.36Å; F361-A407 WeakPolarHBondContact CD1-O 3.35Å; D385-A407 PolarHBondContact O-N 2.99Å
408I85.7Confident86.6Confident106 Ų10646.6 Ų46.654%0.54425%0.248SC..THydrogen-bonded Turntrans-98.711.5174.7-39173.4000110.8K370 T406K370-I408 WeakPolarHBondContact CD-O 3.5Å; T406-I408 PolarHBondContact O-N 2.71Å
409G86.4Confident87.5Confident2 Ų243.5 Ų43.52%0.02123%0.233CC..SBendtrans72.934.417400000114.8K370 I372 T406K370-G409 WeakPolarHBondContact CE-O 3.42Å; K370-G409 PolarHBondContact NZ-O 3.49Å; I372-G409 VanDerWaalsContact CD1-O 3.3Å; I372-G409 WeakPolarHBondContact CD1-O 3.45Å; T406-G409 WeakPolarHBondContact O-CA 3.33Å; T406-G409 PolarHBondContact O-N 3.39Å
410V88.8Confident87.9Confident78 Ų7847.3 Ų47.347%0.47325%0.246SC..  trans-99.9124.4170.61800000108.9Y405 T406Y405-V410 CarbonylContact C-O 3.49Å; Y405-V410 WeakPolarHBondContact CA-O 3.3Å; T406-V410 HydrophobicContact CG2-CB 4.36Å; T406-V410 PolarHBondContact N-O 3.37Å; T406-V410 WeakPolarHBondContact OG1-CB 3.4Å; T406-V410 PolarHBondContact OG1-N 3.42Å; T406-V410 VanDerWaalsContact OG1-N 3.11Å
411A88.7Confident87.9Confident57 Ų5747.4 Ų47.447%0.47125%0.247SC..EExtended strand (participates in β ladder)trans-67.3138.3178.100000110.8T403 M404 Y405T403-A411 HydrophobicContact CG2-CB 4.28Å; M404-A411 CarbonylContact O-C 3.52Å; M404-A411 WeakPolarHBondContact O-CA 3.31Å; Y405-A411 HydrophobicContact CD1-CB 4.02Å; Y405-A411 HydrophobicContact CE1-CB 3.69Å
412I86.1Confident87.7Confident78 Ų7849.6 Ų49.640%0.426%0.258SS..EExtended strand (participates in β ladder)trans-112.5-58.1-176.6-53.9173.8000109.9Y386 M404 T406Y386-I412 HydrophobicContact CD1-CD1 3.57Å; Y386-I412 HydrophobicContact CE1-CD1 3.64Å; M404-I412 HydrophobicContact CB-CB 4.38Å; M404-I412 PolarHBondContact O-N 3.27Å; T406-I412 HydrophobicContact CG2-CD1 3.69Å; T406-I412 HydrophobicContact CG2-CG1 3.94Å
413E85.2Confident87.7Confident52 Ų5251.2 Ų51.224%0.24327%0.265CS..EExtended strand (participates in β ladder)trans-147.4154.8-172.1-172.2174.5-173.600109.8M404 W442M404-E413 HydrophobicContact CB-CB 4.47Å; M404-E413 PolarHBondContact N-O 3.29Å; E413-W442 HydrophobicContact CG-CH2 4.12Å; E413-W442 HydrophobicContact CG-CZ2 4.22Å
414S87.6Confident87.7Confident73 Ų7350.7 Ų50.751%0.5126%0.263SS..EExtended strand (participates in β ladder)trans-136.5142175.2-50.80000111.6L402L402-S414 CarbonylContact O-C 3.57Å; L402-S414 WeakPolarHBondContact O-CA 3.26Å
415K86.8Confident87.8Confident34 Ų3452.8 Ų52.815%0.14827%0.273CS..EExtended strand (participates in β ladder)trans-132.6141.4-179.9-167.566.9175.3-165.30111.1L402 W442 D466 E469L402-K415 HydrophobicContact CB-CB 4.48Å; L402-K415 PolarHBondContact N-O 3.17Å; L402-K415 PolarHBondContact O-N 2.88Å; K415-W442 HydrophobicContact CB-CD2 4.35Å; K415-W442 HydrophobicContact CB-CE3 4.32Å; K415-W442 HydrophobicContact CB-CH2 4.1Å; K415-W442 HydrophobicContact CB-CZ2 4.11Å; K415-W442 HydrophobicContact CB-CZ3 4.19Å; K415-W442 HydrophobicContact CG-CD2 4.43Å; K415-D466 IonicContact NZ-OD1 3.55Å; K415-D466 PolarHBondContact NZ-OD1 3.18Å; K415-E469 WeakPolarHBondContact CE-OE1 3.38Å; K415-E469 IonicContact NZ-OE1 3.27Å; K415-E469 PolarHBondContact NZ-OE1 2.63Å
416R88.3Confident87.8Confident153 Ų15351.7 Ų51.758%0.57727%0.269SS*.EExtended strand (participates in β ladder)trans-97.6137.1175.5-65.4-175.2-179.8-164.4-4110.6V400 I401V400-R416 CarbonylContact O-C 3.54Å; V400-R416 WeakPolarHBondContact O-CA 3.3Å; I401-R416 HydrophobicContact CG1-CG 4.28Å
417V87.5Confident87.7Confident2 Ų250.4 Ų50.41%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-126.6140.2180176.10000108.8G399 V400 L402 F419 L433 Y440 W502G399-V417 CarbonylContact C-O 3.52Å; G399-V417 WeakPolarHBondContact CA-O 3.36Å; V400-V417 PolarHBondContact N-O 3.1Å; V400-V417 PolarHBondContact O-N 3.1Å; L402-V417 HydrophobicContact CD1-CG2 3.7Å; L402-V417 HydrophobicContact CD2-CG2 4.47Å; L402-V417 HydrophobicContact CG-CG2 3.93Å; V417-F419 HydrophobicContact CG1-CD1 3.86Å; V417-F419 HydrophobicContact CG1-CE1 3.88Å; V417-F419 HydrophobicContact CG1-CG 4.39Å; V417-F419 HydrophobicContact CG1-CZ 4.43Å; V417-F419 PolarHBondContact O-N 3.44Å; V417-L433 HydrophobicContact CG1-CD1 4.19Å; V417-L433 HydrophobicContact CG2-CD1 4.06Å; V417-Y440 HydrophobicContact CG2-CD1 4.3Å; V417-Y440 HydrophobicContact CG2-CE1 3.71Å; V417-W502 HydrophobicContact CB-CH2 4.41Å; V417-W502 HydrophobicContact CG1-CH2 3.9Å; V417-W502 HydrophobicContact CG1-CZ3 4.3Å
418Q84Confident87.6Confident117 Ų11751.9 Ų51.955%0.54727%0.271SS..SBendtrans-81.5-9.4-171.6-61.7-172-2.900115.2W502 M505Q418-W502 HydrophobicContact CB-CD2 4.34Å; Q418-W502 HydrophobicContact CB-CE3 3.77Å; Q418-W502 HydrophobicContact CB-CZ3 3.9Å; Q418-W502 HydrophobicContact CG-CD2 3.86Å; Q418-W502 HydrophobicContact CG-CE3 3.82Å; Q418-W502 HydrophobicContact CG-CG 4.39Å; Q418-W502 HydrophobicContact CG-CZ3 4.17Å; Q418-M505 HydrophobicContact CB-SD 3.94Å
419F84.7Confident87.5Confident9 Ų948.2 Ų48.24%0.03925%0.253CS..SBendtrans-122.6156.3179.673.6-95.6000113.1V417 P421 L433 N435 Y440 L471 W502 M505V417-F419 HydrophobicContact CG1-CD1 3.86Å; V417-F419 HydrophobicContact CG1-CE1 3.88Å; V417-F419 HydrophobicContact CG1-CG 4.39Å; V417-F419 HydrophobicContact CG1-CZ 4.43Å; V417-F419 PolarHBondContact O-N 3.44Å; F419-P421 HydrophobicContact CE2-CB 4.14Å; F419-P421 WeakPolarHBondContact O-CD 3.31Å; F419-L433 HydrophobicContact CE2-CB 4.4Å; F419-L433 HydrophobicContact CZ-CB 4.11Å; F419-N435 HydrophobicContact CD2-CB 3.6Å; F419-N435 HydrophobicContact CE2-CB 3.67Å; F419-Y440 HydrophobicContact CE1-CG 4.37Å; F419-L471 HydrophobicContact CE1-CD1 4.1Å; F419-W502 HydrophobicContact CD1-CZ3 4.25Å; F419-M505 HydrophobicContact CB-CE 3.67Å; F419-M505 HydrophobicContact CB-SD 4.33Å; F419-M505 HydrophobicContact CD1-SD 4.27Å
420E85.7Confident87.6Confident97 Ų9748.1 Ų48.145%0.45325%0.252SS..  trans-84.7115.4174.5-177.3162.7166.700110.8I378 K392 V400 N435I378-E420 HydrophobicContact CD1-CG 4.06Å; K392-E420 IonicContact NZ-OE2 2.71Å; K392-E420 PolarHBondContact NZ-OE2 3.18Å; V400-E420 HydrophobicContact CG2-CB 4.34Å; E420-N435 PolarHBondContact O-ND2 3.09Å
421P89.7Confident87.7Confident5 Ų544.4 Ų44.43%0.03223%0.229CC..  trans-78.3146.1-179.632.1-34.5000112I378 I390 F419 L433 I434I378-P421 HydrophobicContact CG2-CG 4.26Å; I378-P421 WeakPolarHBondContact CG2-O 3.43Å; I390-P421 HydrophobicContact CD1-CG 4.35Å; I390-P421 HydrophobicContact CG2-CG 3.79Å; F419-P421 HydrophobicContact CE2-CB 4.14Å; F419-P421 WeakPolarHBondContact O-CD 3.31Å; P421-L433 HydrophobicContact CB-CB 4.07Å; P421-L433 HydrophobicContact CB-CD2 4.43Å; P421-L433 HydrophobicContact CG-CD2 4.48Å; P421-I434 CarbonylContact C-O 3.56Å; P421-I434 VanDerWaalsContact CA-O 3.24Å; P421-I434 WeakPolarHBondContact CA-O 3.37Å
422I86.8Confident87.9Confident86 Ų8641.7 Ų41.744%0.44121%0.207SC..SBendtrans-82.4-41.6173.6-63.7172.6000110.6I434 K436I422-I434 PolarHBondContact N-O 2.84Å; I422-K436 HydrophobicContact CD1-CB 4.44Å; I422-K436 HydrophobicContact CD1-CG 3.54Å
423Q90.6Very high88.3Confident34 Ų3438 Ų3816%0.15919%0.188CC..EExtended strand (participates in β ladder)trans-144.4147.5-179.6-168.3-178.2-8.100109I434 T516 L517Q423-I434 HydrophobicContact CB-CD1 3.98Å; Q423-I434 HydrophobicContact CB-CG1 3.96Å; Q423-I434 WeakPolarHBondContact O-CG1 3.49Å; Q423-I434 PolarHBondContact O-N 3.46Å; Q423-I434 VanDerWaalsContact O-N 3.12Å; Q423-T516 PolarHBondContact OE1-OG1 3.38Å; Q423-L517 PolarHBondContact NE2-O 3.49Å; Q423-L517 VanDerWaalsContact OE1-N 3.09Å
424S93.3Very high88.7Confident7 Ų735.6 Ų35.65%0.04918%0.176CC..EExtended strand (participates in β ladder)trans-125.7151.8172.668.60000112D379 C381 I390 I432D379-S424 WeakPolarHBondContact OD2-CB 3.49Å; D379-S424 PolarHBondContact OD2-N 3.45Å; D379-S424 PolarHBondContact OD2-OG 2.67Å; C381-S424 PolarHBondContact SG-OG 3.38Å; C381-S424 VanDerWaalsContact SG-OG 3.41Å; I390-S424 WeakPolarHBondContact CD1-OG 3.26Å; S424-I432 CarbonylContact C-O 3.55Å; S424-I432 WeakPolarHBondContact CA-O 3.45Å
425M92.9Very high88.8Confident48 Ų4834.2 Ų34.224%0.23616%0.163CC..EExtended strand (participates in β ladder)trans-143.1160.5168.6-86.4-167138.400110.6I432 L517 T518 I519M425-I432 PolarHBondContact N-O 3.1Å; M425-I432 PolarHBondContact O-N 2.69Å; M425-L517 HydrophobicContact CB-CD1 3.66Å; M425-L517 HydrophobicContact CG-CD1 3.3Å; M425-L517 HydrophobicContact SD-CD1 3.23Å; M425-L517 WeakPolarHBondContact SD-CD1 3.49Å; M425-T518 VanDerWaalsContact SD-CA 3.54Å; M425-I519 HydrophobicContact CB-CD1 3.56Å; M425-I519 HydrophobicContact CB-CG1 4.19Å; M425-I519 HydrophobicContact CG-CD1 4.48Å; M425-I519 HydrophobicContact SD-CB 4.08Å; M425-I519 HydrophobicContact SD-CD1 4.11Å; M425-I519 HydrophobicContact SD-CG1 3.73Å; M425-I519 PolarHBondContact SD-N 2.84Å; M425-I519 VanDerWaalsContact SD-N 3.42Å
426M90Very high89Confident5 Ų537.6 Ų37.63%0.02518%0.178CC..EExtended strand (participates in β ladder)trans-134.7138.5-173.1-171.1175.3178.700110.3C381 S383 Y386 C388 M404 Q430 I431 Y444 H521C381-M426 HydrophobicContact CB-CB 4.11Å; S383-M426 WeakPolarHBondContact CB-O 3.44Å; S383-M426 PolarHBondContact OG-O 3.27Å; Y386-M426 HydrophobicContact CG-CE 4.41Å; C388-M426 HydrophobicContact CB-SD 4.21Å; M404-M426 HydrophobicContact CE-CE 3.41Å; M404-M426 VanDerWaalsContact CE-CE 3.41Å; M404-M426 HydrophobicContact SD-CE 3.6Å; M404-M426 VanDerWaalsContact SD-CE 3.6Å; M404-M426 HydrophobicContact SD-SD 4.48Å; M426-Q430 CarbonylContact C-O 3.44Å; M426-Q430 WeakPolarHBondContact CA-O 3.49Å; M426-I431 HydrophobicContact CE-CG1 4.5Å; M426-I431 HydrophobicContact CG-CG1 4.12Å; M426-I431 HydrophobicContact SD-CG1 4.46Å; M426-Y444 HydrophobicContact CE-CE1 3.61Å; M426-Y444 HydrophobicContact CE-CE2 4.27Å; M426-Y444 VanDerWaalsContact CE-CZ 3.44Å; M426-Y444 WeakPolarHBondContact CE-OH 3.46Å; M426-Y444 HydrophobicContact CG-CE1 4.42Å; M426-H521 PolarHBondContact O-CE1 2.85Å
427T87.5Confident89.1Confident13 Ų1330.4 Ų30.48%0.0815%0.152CC..  trans-106.7178.9164.670.80000109.3S383 N429 Q430 Y444 I519 L540S383-T427 VanDerWaalsContact OG-C 3.29Å; T427-N429 PolarHBondContact O-N 3.19Å; T427-N429 PolarHBondContact OG1-N 3.09Å; T427-N429 PolarHBondContact OG1-OD1 3.27Å; T427-Q430 PolarHBondContact N-O 3.33Å; T427-Q430 WeakPolarHBondContact OG1-CB 3.33Å; T427-Q430 PolarHBondContact OG1-N 2.97Å; T427-Q430 PolarHBondContact OG1-O 3.05Å; T427-Y444 PolarHBondContact O-OH 2.96Å; T427-I519 HydrophobicContact CG2-CD1 3.86Å; T427-I519 HydrophobicContact CG2-CG2 4.04Å; T427-L540 HydrophobicContact CG2-CD1 3.9Å
428S83.8Confident89.3Confident33 Ų3331.1 Ų31.123%0.23115%0.154CC..SBendtrans-65.2-6.917757.70000115.4S383 E384 Y444S383-S428 PolarHBondContact OG-N 3.22Å; E384-S428 WeakPolarHBondContact OE1-CB 3.47Å; E384-S428 VanDerWaalsContact OE2-CB 3.25Å; E384-S428 WeakPolarHBondContact OE2-CB 3.32Å; S428-Y444 WeakPolarHBondContact CA-OH 3.34Å; S428-Y444 PolarHBondContact O-OH 2.84Å; S428-Y444 VanDerWaalsContact O-OH 3.1Å
429N83Confident89.7Confident30 Ų3025.6 Ų25.616%0.1613%0.129CC..SBendtrans-146.7-0.4177.568.9-15.1000115.3T427 Q443 Y444T427-N429 PolarHBondContact O-N 3.19Å; T427-N429 PolarHBondContact OG1-N 3.09Å; T427-N429 PolarHBondContact OG1-OD1 3.27Å; N429-Q443 CarbonylContact O-C 3.52Å; N429-Q443 VanDerWaalsContact O-CA 3.26Å; N429-Q443 WeakPolarHBondContact O-CA 3.48Å; N429-Q443 VanDerWaalsContact O-CG 3.31Å; N429-Q443 WeakPolarHBondContact O-CG 3.45Å; N429-Y444 PolarHBondContact N-OH 2.77Å; N429-Y444 PolarHBondContact O-N 3.42Å; N429-Y444 VanDerWaalsContact O-N 3.15Å
430Q88.1Confident90Very high0 Ų025.2 Ų25.20%013%0.127CC..EExtended strand (participates in β ladder)trans-138.7145.5178.7-65-171.7-34.400112.4M426 T427 W442 Q443 Y444 P541M426-Q430 CarbonylContact C-O 3.44Å; M426-Q430 WeakPolarHBondContact CA-O 3.49Å; T427-Q430 PolarHBondContact N-O 3.33Å; T427-Q430 WeakPolarHBondContact OG1-CB 3.33Å; T427-Q430 PolarHBondContact OG1-N 2.97Å; T427-Q430 PolarHBondContact OG1-O 3.05Å; Q430-W442 CarbonylContact C-O 3.55Å; Q430-W442 VanDerWaalsContact CA-O 3.26Å; Q430-W442 WeakPolarHBondContact CA-O 3.19Å; Q430-Q443 HydrophobicContact CG-CB 3.91Å; Q430-Q443 HydrophobicContact CG-CG 3.99Å; Q430-Y444 VanDerWaalsContact N-CE1 3.34Å; Q430-P541 PolarHBondContact NE2-O 2.93Å
431I91.2Very high90.2Very high0 Ų020.6 Ų20.60%011%0.105CC..EExtended strand (participates in β ladder)trans-107.6129.9166.6-62.7164.8000107.6C388 M404 M426 L433 A441 W442 Y444C388-I431 HydrophobicContact CB-CD1 3.87Å; C388-I431 HydrophobicContact CB-CG1 4.41Å; M404-I431 HydrophobicContact CG-CD1 3.98Å; M404-I431 HydrophobicContact SD-CD1 3.35Å; M404-I431 WeakPolarHBondContact SD-CD1 3.3Å; M404-I431 HydrophobicContact SD-CG1 4.25Å; M426-I431 HydrophobicContact CE-CG1 4.5Å; M426-I431 HydrophobicContact CG-CG1 4.12Å; M426-I431 HydrophobicContact SD-CG1 4.46Å; I431-L433 HydrophobicContact CG2-CD2 3.94Å; I431-L433 HydrophobicContact CG2-CG 4.41Å; I431-A441 CarbonylContact O-C 3.59Å; I431-A441 WeakPolarHBondContact O-CA 3.12Å; I431-W442 HydrophobicContact CB-CE3 4.37Å; I431-W442 HydrophobicContact CD1-CE3 3.41Å; I431-W442 VanDerWaalsContact CD1-CE3 3.41Å; I431-W442 HydrophobicContact CD1-CZ3 3.44Å; I431-W442 VanDerWaalsContact CD1-CZ3 3.44Å; I431-W442 HydrophobicContact CG1-CE3 4.33Å; I431-W442 PolarHBondContact N-O 3.2Å; I431-W442 PolarHBondContact O-N 3.07Å; I431-Y444 HydrophobicContact CD1-CD1 4.25Å; I431-Y444 HydrophobicContact CG1-CD1 4.02Å; I431-Y444 HydrophobicContact CG1-CE1 4.13Å
432I93.3Very high90.2Very high0 Ų020.3 Ų20.30%010%0.104CC..EExtended strand (participates in β ladder)trans-117.2125.3-178.5-54.9-178.8000108.4S424 M425 I439 Y440 A441 L517 I519 L526 L540S424-I432 CarbonylContact C-O 3.55Å; S424-I432 WeakPolarHBondContact CA-O 3.45Å; M425-I432 PolarHBondContact N-O 3.1Å; M425-I432 PolarHBondContact O-N 2.69Å; I432-I439 HydrophobicContact CG2-CG2 4.12Å; I432-Y440 CarbonylContact C-O 3.52Å; I432-Y440 WeakPolarHBondContact CA-O 3.35Å; I432-A441 HydrophobicContact CG1-CB 4.35Å; I432-L517 HydrophobicContact CG2-CD2 4.31Å; I432-I519 HydrophobicContact CD1-CD1 3.77Å; I432-I519 HydrophobicContact CG1-CD1 4.49Å; I432-L526 HydrophobicContact CD1-CD1 4.12Å; I432-L526 HydrophobicContact CD1-CD2 4.11Å; I432-L526 HydrophobicContact CG2-CD1 4.3Å; I432-L526 HydrophobicContact CG2-CD2 4.05Å; I432-L540 HydrophobicContact CD1-CD1 3.68Å; I432-L540 HydrophobicContact CD1-CD2 3.61Å; I432-L540 HydrophobicContact CD1-CG 4.3Å
433L93.9Very high90.1Very high0 Ų017.7 Ų17.70%09%0.089CC..EExtended strand (participates in β ladder)trans-117.9138.5178-54-175.7000109.4I390 L402 V417 F419 P421 I431 Y440I390-L433 HydrophobicContact CD1-CD2 3.34Å; L402-L433 HydrophobicContact CD1-CD1 3.85Å; L402-L433 HydrophobicContact CD2-CD1 3.67Å; L402-L433 HydrophobicContact CD2-CD2 4.29Å; L402-L433 HydrophobicContact CG-CD1 4.3Å; V417-L433 HydrophobicContact CG1-CD1 4.19Å; V417-L433 HydrophobicContact CG2-CD1 4.06Å; F419-L433 HydrophobicContact CE2-CB 4.4Å; F419-L433 HydrophobicContact CZ-CB 4.11Å; P421-L433 HydrophobicContact CB-CB 4.07Å; P421-L433 HydrophobicContact CB-CD2 4.43Å; P421-L433 HydrophobicContact CG-CD2 4.48Å; I431-L433 HydrophobicContact CG2-CD2 3.94Å; I431-L433 HydrophobicContact CG2-CG 4.41Å; L433-Y440 HydrophobicContact CB-CD1 4.22Å; L433-Y440 HydrophobicContact CD1-CD1 3.75Å; L433-Y440 HydrophobicContact CD1-CE1 4.21Å; L433-Y440 HydrophobicContact CG-CD1 3.98Å; L433-Y440 PolarHBondContact N-O 3.45Å; L433-Y440 PolarHBondContact O-N 3.32Å
434I93.5Very high89.6Confident1 Ų116.2 Ų16.21%0.0058%0.083CC..EExtended strand (participates in β ladder)trans-123.5148.2171.354.2163.7000112P421 I422 Q423 F438 I439 I514 L517P421-I434 CarbonylContact C-O 3.56Å; P421-I434 VanDerWaalsContact CA-O 3.24Å; P421-I434 WeakPolarHBondContact CA-O 3.37Å; I422-I434 PolarHBondContact N-O 2.84Å; Q423-I434 HydrophobicContact CB-CD1 3.98Å; Q423-I434 HydrophobicContact CB-CG1 3.96Å; Q423-I434 WeakPolarHBondContact O-CG1 3.49Å; Q423-I434 PolarHBondContact O-N 3.46Å; Q423-I434 VanDerWaalsContact O-N 3.12Å; I434-F438 WeakPolarHBondContact CA-O 3.18Å; I434-I439 HydrophobicContact CG2-CB 4.43Å; I434-I439 HydrophobicContact CG2-CG1 4.17Å; I434-I439 HydrophobicContact CG2-CG2 4.24Å; I434-I514 HydrophobicContact CB-CD1 4.46Å; I434-I514 HydrophobicContact CB-CG2 4.4Å; I434-I514 HydrophobicContact CD1-CG2 3.51Å; I434-I514 HydrophobicContact CG2-CD1 4.36Å; I434-L517 HydrophobicContact CB-CD2 4.03Å; I434-L517 HydrophobicContact CD1-CB 3.99Å; I434-L517 HydrophobicContact CD1-CD2 3.54Å; I434-L517 HydrophobicContact CD1-CG 3.7Å; I434-L517 HydrophobicContact CG1-CD2 3.46Å; I434-L517 VanDerWaalsContact CG1-CD2 3.46Å; I434-L517 HydrophobicContact CG1-CG 4.13Å; I434-L517 HydrophobicContact CG2-CD2 3.47Å; I434-L517 VanDerWaalsContact CG2-CD2 3.47Å
435N90.6Very high88.5Confident44 Ų4420 Ų2024%0.23510%0.098CC..  trans-123.8-176.2162.1-170.6-2000108F419 E420 S437 F438 I514F419-N435 HydrophobicContact CD2-CB 3.6Å; F419-N435 HydrophobicContact CE2-CB 3.67Å; E420-N435 PolarHBondContact O-ND2 3.09Å; N435-S437 PolarHBondContact O-N 3.33Å; N435-F438 PolarHBondContact N-O 3.43Å; N435-I514 VanDerWaalsContact O-CD1 3.26Å; N435-I514 WeakPolarHBondContact O-CD1 3.47Å
436K90.7Very high87.2Confident105 Ų10518.1 Ų18.146%0.4579%0.089SC..SBendtrans-52-24.1-179.6-65-159.6176-170.20114.3I422 P513 I514I422-K436 HydrophobicContact CD1-CB 4.44Å; I422-K436 HydrophobicContact CD1-CG 3.54Å; K436-P513 HydrophobicContact CB-CB 3.73Å; K436-P513 HydrophobicContact CD-CB 4.34Å; K436-P513 HydrophobicContact CG-CB 4.26Å; K436-P513 CarbonylContact O-C 3.57Å; K436-P513 WeakPolarHBondContact O-CA 3.23Å; K436-P513 VanDerWaalsContact O-CB 3.24Å; K436-P513 WeakPolarHBondContact O-CB 2.99Å; K436-I514 PolarHBondContact O-N 3.13Å
437S90.6Very high85.8Confident3 Ų321.3 Ų21.32%0.02111%0.111CC..SBendtrans-136.7-9.4-174.7-49.10000114.8N435 H473 I474 S510N435-S437 PolarHBondContact O-N 3.33Å; S437-H473 WeakPolarHBondContact O-CA 3.34Å; S437-I474 PolarHBondContact O-N 3.48Å; S437-S510 WeakPolarHBondContact OG-CB 3.34Å; S437-S510 PolarHBondContact OG-N 3.19Å
438F91.2Very high84.5Confident16 Ų1626.9 Ų26.97%0.0713%0.134CC..EExtended strand (participates in β ladder)trans-127.5145.6-169.8-60-78.6000112.1I434 N435 L471 Y472 H473 I504 M505I434-F438 WeakPolarHBondContact CA-O 3.18Å; N435-F438 PolarHBondContact N-O 3.43Å; F438-L471 HydrophobicContact CB-CD1 4.15Å; F438-L471 HydrophobicContact CD1-CD1 4.48Å; F438-Y472 CarbonylContact C-O 3.56Å; F438-Y472 VanDerWaalsContact CA-O 3.31Å; F438-Y472 WeakPolarHBondContact CA-O 3.4Å; F438-H473 HydrophobicContact CD1-CB 4.23Å; F438-H473 HydrophobicContact CE1-CB 4.12Å; F438-H473 AromaticContact CE1-CD2 3.44Å; F438-H473 VanDerWaalsContact CE1-CD2 3.44Å; F438-H473 WeakPolarHBondContact CE1-CD2 3.44Å; F438-H473 AromaticContact CZ-CD2 3.75Å; F438-I504 HydrophobicContact CD1-CG2 4.37Å; F438-I504 HydrophobicContact CE1-CG2 4.03Å; F438-I504 WeakPolarHBondContact CE1-O 3.32Å; F438-M505 HydrophobicContact CZ-CB 4.48Å
439I91.5Very high83.2Confident2 Ų228.3 Ų28.31%0.0114%0.137CC..EExtended strand (participates in β ladder)trans-118.1122.8171.7-48.9160.7000107.1I432 I434 L471 Y472 I474 I514 L526 I528 Y538 L543I432-I439 HydrophobicContact CG2-CG2 4.12Å; I434-I439 HydrophobicContact CG2-CB 4.43Å; I434-I439 HydrophobicContact CG2-CG1 4.17Å; I434-I439 HydrophobicContact CG2-CG2 4.24Å; I439-L471 WeakPolarHBondContact O-CA 3.28Å; I439-Y472 PolarHBondContact N-O 3.24Å; I439-Y472 PolarHBondContact O-N 2.92Å; I439-I474 HydrophobicContact CD1-CD1 3.79Å; I439-I474 HydrophobicContact CG1-CD1 4.35Å; I439-I514 HydrophobicContact CG1-CD1 4.11Å; I439-L526 HydrophobicContact CG2-CD2 4.3Å; I439-I528 HydrophobicContact CD1-CD1 3.22Å; I439-I528 HydrophobicContact CG1-CD1 3.59Å; I439-I528 HydrophobicContact CG2-CD1 4.34Å; I439-Y538 HydrophobicContact CD1-CE2 4.07Å; I439-L543 HydrophobicContact CG2-CD1 4.27Å; I439-L543 HydrophobicContact CG2-CD2 4.37Å
440Y91.1Very high81.6Confident0 Ų030.3 Ų30.30%015%0.15CC..EExtended strand (participates in β ladder)trans-116.7129.9174.4171.6-94000109.5L402 V417 F419 I432 L433 W442 E469 R470 L471 V500 W502L402-Y440 HydrophobicContact CD1-CE1 4.3Å; V417-Y440 HydrophobicContact CG2-CD1 4.3Å; V417-Y440 HydrophobicContact CG2-CE1 3.71Å; F419-Y440 HydrophobicContact CE1-CG 4.37Å; I432-Y440 CarbonylContact C-O 3.52Å; I432-Y440 WeakPolarHBondContact CA-O 3.35Å; L433-Y440 HydrophobicContact CB-CD1 4.22Å; L433-Y440 HydrophobicContact CD1-CD1 3.75Å; L433-Y440 HydrophobicContact CD1-CE1 4.21Å; L433-Y440 HydrophobicContact CG-CD1 3.98Å; L433-Y440 PolarHBondContact N-O 3.45Å; L433-Y440 PolarHBondContact O-N 3.32Å; Y440-W442 HydrophobicContact CE1-CB 3.67Å; Y440-E469 HydrophobicContact CE2-CB 4.41Å; Y440-E469 HydrophobicContact CE2-CG 4.48Å; Y440-E469 PolarHBondContact OH-OE2 3.4Å; Y440-R470 CarbonylContact C-O 3.54Å; Y440-R470 WeakPolarHBondContact CA-O 3.34Å; Y440-L471 HydrophobicContact CD2-CD1 4.45Å; Y440-V500 HydrophobicContact CE2-CG2 4.35Å; Y440-W502 AromaticContact CD2-CH2 3.98Å; Y440-W502 HydrophobicContact CD2-CH2 3.98Å; Y440-W502 AromaticContact CE2-CH2 3.78Å; Y440-W502 HydrophobicContact CE2-CH2 3.78Å; Y440-W502 HydrophobicContact CE2-CZ2 4.04Å
441A90.4Very high79.7Confident0 Ų037.2 Ų37.20%019%0.186CC..EExtended strand (participates in β ladder)trans-122.8127.6173.900000110.3I431 I432 E469 R470 L543I431-A441 CarbonylContact O-C 3.59Å; I431-A441 WeakPolarHBondContact O-CA 3.12Å; I432-A441 HydrophobicContact CG1-CB 4.35Å; A441-E469 CarbonylContact O-C 3.55Å; A441-E469 WeakPolarHBondContact O-CA 3.35Å; A441-R470 PolarHBondContact N-O 2.99Å; A441-R470 PolarHBondContact O-N 3.45Å; A441-L543 HydrophobicContact CB-CD1 3.58Å; A441-L543 HydrophobicContact CB-CG 4.17Å
442W89.2Confident77.6Confident0 Ų044.4 Ų44.40%023%0.225CC..EExtended strand (participates in β ladder)trans-117.7118.9176174.647.8000110.1L402 M404 E413 K415 Q430 I431 Y440 E469L402-W442 HydrophobicContact CD1-CE3 4.11Å; M404-W442 HydrophobicContact CG-CH2 3.99Å; M404-W442 HydrophobicContact CG-CZ3 3.8Å; E413-W442 HydrophobicContact CG-CH2 4.12Å; E413-W442 HydrophobicContact CG-CZ2 4.22Å; K415-W442 HydrophobicContact CB-CD2 4.35Å; K415-W442 HydrophobicContact CB-CE3 4.32Å; K415-W442 HydrophobicContact CB-CH2 4.1Å; K415-W442 HydrophobicContact CB-CZ2 4.11Å; K415-W442 HydrophobicContact CB-CZ3 4.19Å; K415-W442 HydrophobicContact CG-CD2 4.43Å; Q430-W442 CarbonylContact C-O 3.55Å; Q430-W442 VanDerWaalsContact CA-O 3.26Å; Q430-W442 WeakPolarHBondContact CA-O 3.19Å; I431-W442 HydrophobicContact CB-CE3 4.37Å; I431-W442 HydrophobicContact CD1-CE3 3.41Å; I431-W442 VanDerWaalsContact CD1-CE3 3.41Å; I431-W442 HydrophobicContact CD1-CZ3 3.44Å; I431-W442 VanDerWaalsContact CD1-CZ3 3.44Å; I431-W442 HydrophobicContact CG1-CE3 4.33Å; I431-W442 PolarHBondContact N-O 3.2Å; I431-W442 PolarHBondContact O-N 3.07Å; Y440-W442 HydrophobicContact CE1-CB 3.67Å; W442-E469 HydrophobicContact CG-CG 4.39Å
443Q86.1Confident75.2Confident30 Ų3049.2 Ų49.214%0.1425%0.25CC..EExtended strand (participates in β ladder)trans-91.6103.2179.4-174.1174.8-21.200110.6N429 Q430 G467 I468N429-Q443 CarbonylContact O-C 3.52Å; N429-Q443 VanDerWaalsContact O-CA 3.26Å; N429-Q443 WeakPolarHBondContact O-CA 3.48Å; N429-Q443 VanDerWaalsContact O-CG 3.31Å; N429-Q443 WeakPolarHBondContact O-CG 3.45Å; Q430-Q443 HydrophobicContact CG-CB 3.91Å; Q430-Q443 HydrophobicContact CG-CG 3.99Å; Q443-G467 CarbonylContact O-C 3.48Å; Q443-G467 WeakPolarHBondContact O-CA 3.48Å; Q443-I468 HydrophobicContact CB-CB 4.09Å; Q443-I468 VanDerWaalsContact CB-O 3.3Å; Q443-I468 WeakPolarHBondContact CB-O 3.31Å; Q443-I468 PolarHBondContact N-O 2.86Å; Q443-I468 PolarHBondContact O-N 2.77Å
444Y79.8Confident72.4Confident4 Ų453 Ų532%0.01629%0.289CS..PPolyproline II helixtrans-84.3150.4179.263.7-88.1000111.3Y386 M404 M426 T427 S428 N429 Q430 I431 T446Y386-Y444 HydrophobicContact CD2-CE2 4.13Å; Y386-Y444 HydrophobicContact CE2-CE2 4.45Å; Y386-Y444 HydrophobicContact CG-CE2 4.45Å; M404-Y444 HydrophobicContact CE-CD1 4.11Å; M404-Y444 HydrophobicContact CE-CD2 3.6Å; M404-Y444 HydrophobicContact CE-CE1 4.13Å; M404-Y444 HydrophobicContact CE-CE2 3.6Å; M404-Y444 HydrophobicContact CE-CG 3.86Å; M426-Y444 HydrophobicContact CE-CE1 3.61Å; M426-Y444 HydrophobicContact CE-CE2 4.27Å; M426-Y444 VanDerWaalsContact CE-CZ 3.44Å; M426-Y444 WeakPolarHBondContact CE-OH 3.46Å; M426-Y444 HydrophobicContact CG-CE1 4.42Å; T427-Y444 PolarHBondContact O-OH 2.96Å; S428-Y444 WeakPolarHBondContact CA-OH 3.34Å; S428-Y444 PolarHBondContact O-OH 2.84Å; S428-Y444 VanDerWaalsContact O-OH 3.1Å; N429-Y444 PolarHBondContact N-OH 2.77Å; N429-Y444 PolarHBondContact O-N 3.42Å; N429-Y444 VanDerWaalsContact O-N 3.15Å; Q430-Y444 VanDerWaalsContact N-CE1 3.34Å; I431-Y444 HydrophobicContact CD1-CD1 4.25Å; I431-Y444 HydrophobicContact CG1-CD1 4.02Å; I431-Y444 HydrophobicContact CG1-CE1 4.13Å; Y444-T446 HydrophobicContact CD2-CG2 4.09Å; Y444-T446 HydrophobicContact CE2-CG2 3.65Å
445F69.1Low69.8Low85 Ų8559.8 Ų59.837%0.37332%0.318SS..PPolyproline II helixtrans-94.2127176-73.8-78.2000110.8
446T65.9Low67.2Low9 Ų966.5 Ų66.56%0.05535%0.346CS..PPolyproline II helixtrans-86.3145173.859.20000110.8Y386 Y444 K448 Q449 T450Y386-T446 HydrophobicContact CD2-CG2 4.33Å; Y386-T446 HydrophobicContact CE2-CG2 3.45Å; Y386-T446 VanDerWaalsContact CE2-CG2 3.45Å; Y386-T446 WeakPolarHBondContact OH-CB 3.26Å; Y444-T446 HydrophobicContact CD2-CG2 4.09Å; Y444-T446 HydrophobicContact CE2-CG2 3.65Å; T446-K448 PolarHBondContact O-N 3.14Å; T446-K448 VanDerWaalsContact O-N 3.12Å; T446-Q449 PolarHBondContact O-N 2.96Å; T446-Q449 WeakPolarHBondContact OG1-CB 3.32Å; T446-Q449 WeakPolarHBondContact OG1-CG 3.5Å; T446-Q449 PolarHBondContact OG1-N 3.11Å; T446-T450 PolarHBondContact O-N 2.7Å
447P60.5Low64.6Low72 Ų7268.6 Ų68.647%0.46836%0.355SS..Hα-helixtrans-54-32.7173.7-27.334.5000113.3T450 L451P447-T450 VanDerWaalsContact C-OG1 3.28Å; P447-T450 VanDerWaalsContact CA-OG1 3.26Å; P447-T450 WeakPolarHBondContact CA-OG1 3.44Å; P447-T450 PolarHBondContact O-N 3.43Å; P447-T450 PolarHBondContact O-OG1 2.84Å; P447-L451 PolarHBondContact O-N 3.4Å
448K61.3Low62.1Low130 Ų13072.1 Ų72.157%0.56538%0.377SS*.Hα-helixtrans-62-41.9175.2-67.8177.2179.3168.90111.6D385 T446 L451D385-K448 IonicContact OD2-NZ 2.67Å; D385-K448 PolarHBondContact OD2-NZ 2.89Å; T446-K448 PolarHBondContact O-N 3.14Å; T446-K448 VanDerWaalsContact O-N 3.12Å; K448-L451 PolarHBondContact O-N 2.86Å
449Q55.9Low59.7Low63 Ų6376.8 Ų76.829%0.29441%0.411SS..Hα-helixtrans-72.9-30.4178.7-73.3165.7800113T446 L451 L453T446-Q449 PolarHBondContact O-N 2.96Å; T446-Q449 WeakPolarHBondContact OG1-CB 3.32Å; T446-Q449 WeakPolarHBondContact OG1-CG 3.5Å; T446-Q449 PolarHBondContact OG1-N 3.11Å; Q449-L451 PolarHBondContact O-N 3.36Å; Q449-L453 PolarHBondContact O-N 3.36Å
450T50.1Low57.2Low73 Ų7381 Ų8145%0.44844%0.441SS..Hα-helixtrans-68-18.417540.60000114T446 P447T446-T450 PolarHBondContact O-N 2.7Å; P447-T450 VanDerWaalsContact C-OG1 3.28Å; P447-T450 VanDerWaalsContact CA-OG1 3.26Å; P447-T450 WeakPolarHBondContact CA-OG1 3.44Å; P447-T450 PolarHBondContact O-N 3.43Å; P447-T450 PolarHBondContact O-OG1 2.84Å
451L48.5Very low54.7Low145 Ų14582.7 Ų82.776%0.75945%0.451SS*.Hα-helixtrans-89.9-33178.4-77.9154.7000112.9P447 K448 Q449P447-L451 PolarHBondContact O-N 3.4Å; K448-L451 PolarHBondContact O-N 2.86Å; Q449-L451 PolarHBondContact O-N 3.36Å
452D47.4Very low52.3Low151 Ų15187.7 Ų87.781%0.80748%0.477SS*.Hα-helixtrans-80.5-22.6-179.4-80.7-19.5000113.7G454D452-G454 PolarHBondContact O-N 3.31Å
453L41Very low50Low100 Ų10098.4 Ų98.452%0.52452%0.517SS..SBendtrans-9590.4172.9-75.4148.2000108.3Q449 F455Q449-L453 PolarHBondContact O-N 3.36Å; L453-F455 HydrophobicContact CB-CD2 4.01Å; L453-F455 HydrophobicContact CB-CE2 4.34Å; L453-F455 HydrophobicContact CD2-CE2 4.3Å; L453-F455 PolarHBondContact O-N 3.11Å
454G35.4Very low48Very low79 Ų79103 Ų10381%0.81454%0.539SS*.  trans-60.252-175.500000117.3D452 K456D452-G454 PolarHBondContact O-N 3.31Å; G454-K456 PolarHBondContact O-N 3.45Å
455F39.3Very low46.5Very low144 Ų144111.4 Ų111.463%0.63257%0.57SS**  trans-75.1118.3177.5-86.8-82.8000110.5L453 F457L453-F455 HydrophobicContact CB-CD2 4.01Å; L453-F455 HydrophobicContact CB-CE2 4.34Å; L453-F455 HydrophobicContact CD2-CE2 4.3Å; L453-F455 PolarHBondContact O-N 3.11Å; F455-F457 PolarHBondContact O-N 3.06Å
456K35.8Very low45.7Very low186 Ų186111.4 Ų111.481%0.80958%0.575SS**  trans-63.3113.7162.6-71.6179.6176.8178.70108.2G454 T458G454-K456 PolarHBondContact O-N 3.45Å; K456-T458 PolarHBondContact O-N 3.3Å
457F37.3Very low45.4Very low148 Ų148111 Ų11165%0.64957%0.572SS**  trans-60116.6174.6-71.9-83.4000109.9F455F455-F457 PolarHBondContact O-N 3.06Å
458T38.1Very low46Very low78 Ų78109.3 Ų109.348%0.47956%0.558SS.*  trans-109.9155.2165.155.50000107.5K456 S460 T461K456-T458 PolarHBondContact O-N 3.3Å; T458-S460 PolarHBondContact O-N 3.23Å; T458-S460 PolarHBondContact OG1-OG 3.28Å; T458-T461 PolarHBondContact N-OG1 3.32Å; T458-T461 VanDerWaalsContact N-OG1 3.09Å; T458-T461 PolarHBondContact O-N 3.46Å; T458-T461 PolarHBondContact O-OG1 3.3Å; T458-T461 PolarHBondContact OG1-OG1 3.49Å; T458-T461 VanDerWaalsContact OG1-OG1 3.08Å
459S39.5Very low47Very low114 Ų114103.8 Ų103.880%0.79754%0.535SS*.THydrogen-bonded Turntrans-56.6-21.6-176.1-31.50000113.5
460S39.1Very low48.4Very low91 Ų91102.8 Ų102.864%0.63653%0.528SS*.THydrogen-bonded Turntrans-78.8-27.2174.3470000114.4T458 I462T458-S460 PolarHBondContact O-N 3.23Å; T458-S460 PolarHBondContact OG1-OG 3.28Å; S460-I462 VanDerWaalsContact C-N 3.31Å; S460-I462 PolarHBondContact O-N 2.93Å
461T39.5Very low50.1Low34 Ų3499.9 Ų99.921%0.20951%0.51CS..G310 helixtrans-78.7-12.9178.810.20000113.6T458 R463 Q464T458-T461 PolarHBondContact N-OG1 3.32Å; T458-T461 VanDerWaalsContact N-OG1 3.09Å; T458-T461 PolarHBondContact O-N 3.46Å; T458-T461 PolarHBondContact O-OG1 3.3Å; T458-T461 PolarHBondContact OG1-OG1 3.49Å; T458-T461 VanDerWaalsContact OG1-OG1 3.08Å; T461-R463 PolarHBondContact O-N 2.88Å; T461-Q464 PolarHBondContact O-N 2.84Å; T461-Q464 VanDerWaalsContact O-N 3.16Å
462I40.1Very low51.9Low105 Ų10596.9 Ų96.954%0.53849%0.489SS..G310 helixtrans-67.9-24.1178-62.8173.7000111.6S460S460-I462 VanDerWaalsContact C-N 3.31Å; S460-I462 PolarHBondContact O-N 2.93Å
463R40.2Very low53.9Low225 Ų22590.2 Ų90.285%0.84945%0.453SS*.G310 helixtrans-79.9-11.1174-71.4-171.3178.9-172.8-0.3114.5T461 R465T461-R463 PolarHBondContact O-N 2.88Å; R463-R465 VanDerWaalsContact C-N 3.27Å; R463-R465 PolarHBondContact O-N 3.43Å
464Q43.6Very low56.1Low127 Ų12785.5 Ų85.559%0.59343%0.428SS*.G310 helixtrans-87.115.4179-77.7-175.1-21.800113.9T461 D466T461-Q464 PolarHBondContact O-N 2.84Å; T461-Q464 VanDerWaalsContact O-N 3.16Å; Q464-D466 VanDerWaalsContact C-N 3.28Å; Q464-D466 PolarHBondContact O-N 3.03Å
465R48.5Very low58.5Low180 Ų18085.1 Ų85.168%0.67941%0.407SS*.G310 helixtrans-72.6-19.9176.1-78.5-169.7176.2-177.90.2113.5R463 G467R463-R465 VanDerWaalsContact C-N 3.27Å; R463-R465 PolarHBondContact O-N 3.43Å; R465-G467 PolarHBondContact O-N 3.24Å
466D52Low60.4Low86 Ų8681.5 Ų81.546%0.4640%0.397SS..SBendtrans-68.7105.2172.7-74.7-57000109.1K415 Q464K415-D466 IonicContact NZ-OD1 3.55Å; K415-D466 PolarHBondContact NZ-OD1 3.18Å; Q464-D466 VanDerWaalsContact C-N 3.28Å; Q464-D466 PolarHBondContact O-N 3.03Å
467G59.3Low61.9Low0 Ų075.2 Ų75.20%037%0.372CS..  trans-45.8160.8177.400000115.5Q443 R465 E469Q443-G467 CarbonylContact O-C 3.48Å; Q443-G467 WeakPolarHBondContact O-CA 3.48Å; R465-G467 PolarHBondContact O-N 3.24Å; G467-E469 PolarHBondContact O-N 3.08Å
468I75Confident62.6Low36 Ų3672.3 Ų72.319%0.18537%0.37CS..EExtended strand (participates in β ladder)trans-69.6122.4178.4-56.8172.4000109.3Q443Q443-I468 HydrophobicContact CB-CB 4.09Å; Q443-I468 VanDerWaalsContact CB-O 3.3Å; Q443-I468 WeakPolarHBondContact CB-O 3.31Å; Q443-I468 PolarHBondContact N-O 2.86Å; Q443-I468 PolarHBondContact O-N 2.77Å
469E82.1Confident62.8Low15 Ų1574.4 Ų74.47%0.0738%0.378CS..EExtended strand (participates in β ladder)trans-111.1145.8-179.3-67.6171.8-131.700111.8K415 Y440 A441 W442 G467 V500K415-E469 WeakPolarHBondContact CE-OE1 3.38Å; K415-E469 IonicContact NZ-OE1 3.27Å; K415-E469 PolarHBondContact NZ-OE1 2.63Å; Y440-E469 HydrophobicContact CE2-CB 4.41Å; Y440-E469 HydrophobicContact CE2-CG 4.48Å; Y440-E469 PolarHBondContact OH-OE2 3.4Å; A441-E469 CarbonylContact O-C 3.55Å; A441-E469 WeakPolarHBondContact O-CA 3.35Å; W442-E469 HydrophobicContact CG-CG 4.39Å; G467-E469 PolarHBondContact O-N 3.08Å; E469-V500 HydrophobicContact CB-CG2 3.21Å; E469-V500 HydrophobicContact CG-CG2 4.29Å
470R84.8Confident62.6Low42 Ų4278.5 Ų78.516%0.15838%0.376CS..EExtended strand (participates in β ladder)trans-141.6137.4176.3-60.8-178.6179.380.3-4.4110.4Y440 A441 Y472 P541 D542 L543Y440-R470 CarbonylContact C-O 3.54Å; Y440-R470 WeakPolarHBondContact CA-O 3.34Å; A441-R470 PolarHBondContact N-O 2.99Å; A441-R470 PolarHBondContact O-N 3.45Å; R470-Y472 HydrophobicContact CB-CD2 4.31Å; R470-Y472 HydrophobicContact CB-CE2 3.75Å; R470-Y472 HydrophobicContact CG-CE2 4.42Å; R470-P541 PolarHBondContact NH1-O 2.93Å; R470-D542 IonicContact NH2-OD1 3.76Å; R470-L543 HydrophobicContact CB-CD1 4.21Å
471L86.3Confident62.3Low11 Ų1179.2 Ų79.26%0.05838%0.376CS..EExtended strand (participates in β ladder)trans-127.9128.2174.1179.567.3000109.4F419 F438 I439 Y440 V500 W502 I504 M505F419-L471 HydrophobicContact CE1-CD1 4.1Å; F438-L471 HydrophobicContact CB-CD1 4.15Å; F438-L471 HydrophobicContact CD1-CD1 4.48Å; I439-L471 WeakPolarHBondContact O-CA 3.28Å; Y440-L471 HydrophobicContact CD2-CD1 4.45Å; L471-V500 HydrophobicContact CB-CG1 3.39Å; L471-V500 HydrophobicContact CD2-CG1 3.86Å; L471-V500 HydrophobicContact CG-CG1 4.27Å; L471-W502 HydrophobicContact CD2-CE3 4.02Å; L471-W502 HydrophobicContact CD2-CZ3 4.29Å; L471-I504 HydrophobicContact CD2-CB 4.12Å; L471-I504 HydrophobicContact CD2-CG2 4.49Å; L471-M505 HydrophobicContact CD2-CG 4.16Å
472Y85.8Confident61.7Low83 Ų8381 Ų8133%0.32540%0.401SS..EExtended strand (participates in β ladder)trans-129.2142.1179.1-69.5-86.9000110.9F438 I439 R470 L543F438-Y472 CarbonylContact C-O 3.56Å; F438-Y472 VanDerWaalsContact CA-O 3.31Å; F438-Y472 WeakPolarHBondContact CA-O 3.4Å; I439-Y472 PolarHBondContact N-O 3.24Å; I439-Y472 PolarHBondContact O-N 2.92Å; R470-Y472 HydrophobicContact CB-CD2 4.31Å; R470-Y472 HydrophobicContact CB-CE2 3.75Å; R470-Y472 HydrophobicContact CG-CE2 4.42Å; Y472-L543 HydrophobicContact CD2-CB 4.04Å; Y472-L543 HydrophobicContact CD2-CD1 3.5Å; Y472-L543 VanDerWaalsContact CD2-CD1 3.5Å; Y472-L543 HydrophobicContact CD2-CG 4.44Å; Y472-L543 HydrophobicContact CE2-CB 3.63Å; Y472-L543 HydrophobicContact CE2-CD1 3.63Å; Y472-L543 HydrophobicContact CE2-CG 4.28Å
473H88.8Confident61.1Low11 Ų1181.7 Ų81.75%0.05142%0.416CS..EExtended strand (participates in β ladder)trans-87.2133.8165-173.2-85.9000109.6S437 F438 D475 T476 I504 P508S437-H473 WeakPolarHBondContact O-CA 3.34Å; F438-H473 HydrophobicContact CD1-CB 4.23Å; F438-H473 HydrophobicContact CE1-CB 4.12Å; F438-H473 AromaticContact CE1-CD2 3.44Å; F438-H473 VanDerWaalsContact CE1-CD2 3.44Å; F438-H473 WeakPolarHBondContact CE1-CD2 3.44Å; F438-H473 AromaticContact CZ-CD2 3.75Å; H473-D475 IonicContact CE1-OD2 3.34Å; H473-D475 PolarHBondContact CE1-OD2 3.43Å; H473-D475 VanDerWaalsContact CE1-OD2 3.23Å; H473-D475 PolarHBondContact ND1-N 2.86Å; H473-D475 IonicContact ND1-OD2 3.62Å; H473-D475 PolarHBondContact O-N 3.02Å; H473-T476 PolarHBondContact O-N 3.18Å; H473-I504 HydrophobicContact CB-CG2 4.3Å; H473-P508 PolarHBondContact NE2-O 2.94Å; H473-P508 VanDerWaalsContact NE2-O 3.12Å
474I86.8Confident60.7Low0 Ų076.3 Ų76.30%041%0.412CS..THydrogen-bonded Turntrans-60.7-30.8-171.5-167.166.2000113.5S437 I439 T476 I514 I528S437-I474 PolarHBondContact O-N 3.48Å; I439-I474 HydrophobicContact CD1-CD1 3.79Å; I439-I474 HydrophobicContact CG1-CD1 4.35Å; I474-T476 VanDerWaalsContact C-N 3.34Å; I474-I514 HydrophobicContact CB-CD1 3.99Å; I474-I514 HydrophobicContact CB-CG1 4.13Å; I474-I514 HydrophobicContact CD1-CD1 3.92Å; I474-I514 HydrophobicContact CD1-CG1 3.96Å; I474-I514 HydrophobicContact CG1-CD1 4.02Å; I474-I514 HydrophobicContact CG1-CG1 3.79Å; I474-I514 HydrophobicContact CG2-CG1 4.42Å; I474-I528 HydrophobicContact CD1-CD1 4.39Å; I474-I528 HydrophobicContact CD1-CG2 4.07Å
475D86.3Confident60Low71 Ų7175.1 Ų75.138%0.3842%0.418SS..THydrogen-bonded Turntrans-81.7-10.3179.3-64.4-48.2000113.6H473 I477 S510 R530H473-D475 IonicContact CE1-OD2 3.34Å; H473-D475 PolarHBondContact CE1-OD2 3.43Å; H473-D475 VanDerWaalsContact CE1-OD2 3.23Å; H473-D475 PolarHBondContact ND1-N 2.86Å; H473-D475 IonicContact ND1-OD2 3.62Å; H473-D475 PolarHBondContact O-N 3.02Å; D475-I477 PolarHBondContact O-N 3.49Å; D475-S510 PolarHBondContact OD1-OG 3.43Å; D475-S510 WeakPolarHBondContact OD2-CA 3.25Å; D475-S510 WeakPolarHBondContact OD2-CB 3.11Å; D475-S510 PolarHBondContact OD2-OG 3.28Å; D475-R530 IonicContact OD1-CZ 3.92Å; D475-R530 IonicContact OD1-NH1 3.64Å; D475-R530 IonicContact OD1-NH2 3.37Å; D475-R530 PolarHBondContact OD1-NH2 3.32Å; D475-R530 IonicContact OD2-NH2 3.18Å
476T79.2Confident59.4Low68 Ų6876.4 Ų76.442%0.41743%0.429SS..  trans-90.482-177.5-480000110.9H473 I474 S478H473-T476 PolarHBondContact O-N 3.18Å; I474-T476 VanDerWaalsContact C-N 3.34Å; T476-S478 PolarHBondContact O-N 3.33Å
477I66.9Low58.5Low55 Ų5578.5 Ų78.528%0.28245%0.445SS..  trans-81.794.9175-53.7174.6000109.4D475 L479 F545D475-I477 PolarHBondContact O-N 3.49Å; I477-L479 HydrophobicContact CG2-CD1 4.43Å; I477-L479 HydrophobicContact CG2-CG 4.2Å; I477-L479 PolarHBondContact O-N 3.38Å; I477-L479 VanDerWaalsContact O-N 3.14Å; I477-F545 HydrophobicContact CD1-CZ 4.35Å; I477-F545 HydrophobicContact CG2-CD1 3.62Å; I477-F545 HydrophobicContact CG2-CE1 3.81Å; I477-F545 HydrophobicContact CG2-CG 4.01Å; I477-F545 HydrophobicContact CG2-CZ 4.34Å
478S53Low57.2Low87 Ų8785.3 Ų85.361%0.60848%0.481SS*.  trans-80.988.6173.1-65.20000110.9T476 R480T476-S478 PolarHBondContact O-N 3.33Å; S478-R480 PolarHBondContact O-N 2.87Å
479L42.3Very low55Low121 Ų12190.7 Ų90.763%0.63451%0.51SS*.  trans-68.991.9169.4-78.3146000109.8I477 T481I477-L479 HydrophobicContact CG2-CD1 4.43Å; I477-L479 HydrophobicContact CG2-CG 4.2Å; I477-L479 PolarHBondContact O-N 3.38Å; I477-L479 VanDerWaalsContact O-N 3.14Å; L479-T481 HydrophobicContact CD2-CG2 4.13Å; L479-T481 PolarHBondContact O-N 2.95Å
480R34.8Very low52.6Low201 Ų20196.1 Ų96.176%0.75854%0.54SS*.  trans-76.973162.1-72.2-167.3-173-170.33.5109.1S478S478-R480 PolarHBondContact O-N 2.87Å
481T33.5Very low50.1Low105 Ų105101.8 Ų101.864%0.64457%0.572SS**  trans-99.1135.3170.2460000110.1L479L479-T481 HydrophobicContact CD2-CG2 4.13Å; L479-T481 PolarHBondContact O-N 2.95Å
482G27.4Very low47.6Very low71 Ų71105.5 Ų105.573%0.73260%0.599SS**  trans-68.8180-162.400000118.4
483S27.5Very low45.2Very low121 Ų121105.7 Ų105.785%0.84661%0.612SS**  trans86.888.1170.973.70000117.6
484S31.9Very low42.6Very low111 Ų111108.6 Ų108.678%0.77663%0.633SS**  -174.6120.7127.734.10000111.2F486S484-F486 PolarHBondContact O-N 3.49Å
485S28.3Very low40.5Very low103 Ų103112.8 Ų112.872%0.7266%0.659SS**  trans-11.8107.9158.353.20000117.5
486F34.7Very low38.3Very low207 Ų207116.8 Ų116.891%0.90867%0.673SS**  trans-147.7118.5135.2-79.9-71.6000108.3S484S484-F486 PolarHBondContact O-N 3.49Å
487V33Very low36.8Very low129 Ų129120.3 Ų120.378%0.78269%0.685SS**  trans-73.1123.9164.1-179.40000105.4
488D32.4Very low36.2Very low143 Ų143121 Ų12177%0.76569%0.692SS**  trans164.5114.9142.5-80-18.1000109.8
489D28.5Very low36.6Very low149 Ų149124.7 Ų124.780%0.79770%0.699SS**SBendtrans17.6105.3152.3-63.3-23.3000119.6
490D32.3Very low38Very low129 Ų129120 Ų12069%0.6968%0.675SS**  trans165.555.7140.2-88.9-18.7000113.4S492D490-S492 PolarHBondContact O-N 2.95Å
491I32.9Very low40Very low162 Ų162114.6 Ų114.683%0.83166%0.662SS**THydrogen-bonded Turntrans-78.40.7178.6-64.5173.4000112.7
492S34Very low42.2Very low89 Ų89112 Ų11262%0.62264%0.64SS**THydrogen-bonded Turntrans-90.8-9.1-175.653.20000115.5D490D490-S492 PolarHBondContact O-N 2.95Å
493S34.8Very low44.7Very low87 Ų87113.6 Ų113.661%0.60863%0.632SS**SBendtrans-98.8-21.8-168.360.10000115.9
494S34.5Very low47.2Very low71 Ų71109.9 Ų109.950%0.49760%0.602SS.*SBendtrans-101.54.1-172.775.40000115.9
495V42Very low49.4Very low89 Ų89107.2 Ų107.254%0.53958%0.578SS.*SBendtrans-100.1-11.7-177.3-177.40000112.1
496F40.7Very low51.9Low154 Ų154108.7 Ų108.768%0.67558%0.578SS**  trans-125.146-175.3-59.4-74.6000112.8T498F496-T498 PolarHBondContact O-N 3.09Å; F496-T498 VanDerWaalsContact O-N 3.13Å
497Q46.7Very low54.2Low142 Ų142102.4 Ų102.466%0.66455%0.551SS**  trans-70108.3167.7-89.4179.9-25.800109.3
498T55Low56.5Low70 Ų70101.3 Ų101.343%0.42955%0.547SS..  trans-88.6-15.9173.445.50000112.7F496F496-T498 PolarHBondContact O-N 3.09Å; F496-T498 VanDerWaalsContact O-N 3.13Å
499E61.4Low58.9Low165 Ų16599.7 Ų99.777%0.77154%0.542SS*.SBendtrans-115.7127.9178.2-69.5-175.1173.200111
500V72.7Confident61.8Low21 Ų2193 Ų9313%0.12751%0.507CS..  trans-79.1131.3174176.60000110.3Y440 E469 L471 W502Y440-V500 HydrophobicContact CE2-CG2 4.35Å; E469-V500 HydrophobicContact CB-CG2 3.21Å; E469-V500 HydrophobicContact CG-CG2 4.29Å; L471-V500 HydrophobicContact CB-CG1 3.39Å; L471-V500 HydrophobicContact CD2-CG1 3.86Å; L471-V500 HydrophobicContact CG-CG1 4.27Å; V500-W502 HydrophobicContact CG1-CD2 4.29Å; V500-W502 VanDerWaalsContact O-CD1 3.26Å; V500-W502 PolarHBondContact O-N 3.46Å; V500-W502 VanDerWaalsContact O-N 3.08Å
501D75.5Confident64.5Low88 Ų8892.5 Ų92.547%0.47151%0.514SS..  trans-75.195.1165.9-17411.3000110.6N503 I504D501-N503 PolarHBondContact O-N 3.23Å; D501-N503 WeakPolarHBondContact OD1-CB 3.48Å; D501-N503 VanDerWaalsContact OD1-CG 3.26Å; D501-N503 PolarHBondContact OD1-N 2.89Å; D501-N503 PolarHBondContact OD1-ND2 2.83Å; D501-I504 WeakPolarHBondContact O-CG1 3.36Å; D501-I504 PolarHBondContact O-N 3.46Å
502W81.1Confident67.2Low50 Ų5086 Ų8619%0.18948%0.481CS..G310 helixtrans-66-11.1176.9-66.996.1000113.3V417 Q418 F419 Y440 L471 V500 I504 M505V417-W502 HydrophobicContact CB-CH2 4.41Å; V417-W502 HydrophobicContact CG1-CH2 3.9Å; V417-W502 HydrophobicContact CG1-CZ3 4.3Å; Q418-W502 HydrophobicContact CB-CD2 4.34Å; Q418-W502 HydrophobicContact CB-CE3 3.77Å; Q418-W502 HydrophobicContact CB-CZ3 3.9Å; Q418-W502 HydrophobicContact CG-CD2 3.86Å; Q418-W502 HydrophobicContact CG-CE3 3.82Å; Q418-W502 HydrophobicContact CG-CG 4.39Å; Q418-W502 HydrophobicContact CG-CZ3 4.17Å; F419-W502 HydrophobicContact CD1-CZ3 4.25Å; Y440-W502 AromaticContact CD2-CH2 3.98Å; Y440-W502 HydrophobicContact CD2-CH2 3.98Å; Y440-W502 AromaticContact CE2-CH2 3.78Å; Y440-W502 HydrophobicContact CE2-CH2 3.78Å; Y440-W502 HydrophobicContact CE2-CZ2 4.04Å; L471-W502 HydrophobicContact CD2-CE3 4.02Å; L471-W502 HydrophobicContact CD2-CZ3 4.29Å; V500-W502 HydrophobicContact CG1-CD2 4.29Å; V500-W502 VanDerWaalsContact O-CD1 3.26Å; V500-W502 PolarHBondContact O-N 3.46Å; V500-W502 VanDerWaalsContact O-N 3.08Å; W502-I504 PolarHBondContact O-N 3.34Å; W502-I504 VanDerWaalsContact O-N 3.12Å; W502-M505 HydrophobicContact CE3-CG 4.42Å; W502-M505 HydrophobicContact CE3-SD 3.64Å; W502-M505 HydrophobicContact CZ3-SD 4.01Å; W502-M505 WeakPolarHBondContact O-CB 3.32Å; W502-M505 PolarHBondContact O-N 2.91Å
503N79Confident70Confident106 Ų10682.5 Ų82.557%0.56746%0.456SS*.G310 helixtrans-62.7-18.3174.4-64.3-52.3000112.8D501 M505 N506D501-N503 PolarHBondContact O-N 3.23Å; D501-N503 WeakPolarHBondContact OD1-CB 3.48Å; D501-N503 VanDerWaalsContact OD1-CG 3.26Å; D501-N503 PolarHBondContact OD1-N 2.89Å; D501-N503 PolarHBondContact OD1-ND2 2.83Å; N503-M505 PolarHBondContact O-N 3.15Å; N503-N506 WeakPolarHBondContact O-CB 3.47Å; N503-N506 PolarHBondContact O-N 2.98Å
504I79.6Confident72.8Confident43 Ų4378.6 Ų78.622%0.22143%0.428CS..G310 helixtrans-56.5-29.1171.4-62.6170.3000111F438 L471 H473 D501 W502 N506 Q507F438-I504 HydrophobicContact CD1-CG2 4.37Å; F438-I504 HydrophobicContact CE1-CG2 4.03Å; F438-I504 WeakPolarHBondContact CE1-O 3.32Å; L471-I504 HydrophobicContact CD2-CB 4.12Å; L471-I504 HydrophobicContact CD2-CG2 4.49Å; H473-I504 HydrophobicContact CB-CG2 4.3Å; D501-I504 WeakPolarHBondContact O-CG1 3.36Å; D501-I504 PolarHBondContact O-N 3.46Å; W502-I504 PolarHBondContact O-N 3.34Å; W502-I504 VanDerWaalsContact O-N 3.12Å; I504-N506 PolarHBondContact O-N 3.08Å; I504-Q507 VanDerWaalsContact O-CB 3.31Å; I504-Q507 WeakPolarHBondContact O-CB 3.13Å; I504-Q507 VanDerWaalsContact O-CG 3.3Å; I504-Q507 WeakPolarHBondContact O-CG 3.43Å; I504-Q507 PolarHBondContact O-N 3.21Å; I504-Q507 VanDerWaalsContact O-N 3.09Å
505M78.5Confident75.5Confident54 Ų5476.4 Ų76.427%0.26641%0.413SS..G310 helixtrans-65.5-15.6176.5-71.2-172.757.300114.3Q418 F419 F438 L471 W502 N503 Q507Q418-M505 HydrophobicContact CB-SD 3.94Å; F419-M505 HydrophobicContact CB-CE 3.67Å; F419-M505 HydrophobicContact CB-SD 4.33Å; F419-M505 HydrophobicContact CD1-SD 4.27Å; F438-M505 HydrophobicContact CZ-CB 4.48Å; L471-M505 HydrophobicContact CD2-CG 4.16Å; W502-M505 HydrophobicContact CE3-CG 4.42Å; W502-M505 HydrophobicContact CE3-SD 3.64Å; W502-M505 HydrophobicContact CZ3-SD 4.01Å; W502-M505 WeakPolarHBondContact O-CB 3.32Å; W502-M505 PolarHBondContact O-N 2.91Å; N503-M505 PolarHBondContact O-N 3.15Å; M505-Q507 PolarHBondContact O-N 3.49Å
506N81.8Confident78Confident135 Ų13572.4 Ų72.472%0.72239%0.388SS*.G310 helixtrans-76.9-4.6174.4-63.8-32000112.8N503 I504N503-N506 WeakPolarHBondContact O-CB 3.47Å; N503-N506 PolarHBondContact O-N 2.98Å; I504-N506 PolarHBondContact O-N 3.08Å
507Q81.2Confident80.5Confident74 Ų7465.1 Ų65.135%0.34636%0.356SS..SBendtrans-66.2146.9172.4-69.3-175.410.600111I504 M505I504-Q507 VanDerWaalsContact O-CB 3.31Å; I504-Q507 WeakPolarHBondContact O-CB 3.13Å; I504-Q507 VanDerWaalsContact O-CG 3.3Å; I504-Q507 WeakPolarHBondContact O-CG 3.43Å; I504-Q507 PolarHBondContact O-N 3.21Å; I504-Q507 VanDerWaalsContact O-N 3.09Å; M505-Q507 PolarHBondContact O-N 3.49Å
508P82.5Confident82.8Confident106 Ų10658.9 Ų58.969%0.68833%0.328SS*.PPolyproline II helixtrans-62.1147.5-178.427-35.2000111.2H473 S510H473-P508 PolarHBondContact NE2-O 2.94Å; H473-P508 VanDerWaalsContact NE2-O 3.12Å; P508-S510 PolarHBondContact O-N 3.09Å
509V83.5Confident84.6Confident110 Ų11055.9 Ų55.967%0.66731%0.309SS*.PPolyproline II helixtrans-55.4130.9172.8-177.80000109.2S511V509-S511 PolarHBondContact O-N 3.17Å
510S87.6Confident86Confident7 Ų748.1 Ų48.15%0.04927%0.274CS..PPolyproline II helixtrans-55.6136179.5-172.10000111.8S437 D475 P508 D512 R530S437-S510 WeakPolarHBondContact OG-CB 3.34Å; S437-S510 PolarHBondContact OG-N 3.19Å; D475-S510 PolarHBondContact OD1-OG 3.43Å; D475-S510 WeakPolarHBondContact OD2-CA 3.25Å; D475-S510 WeakPolarHBondContact OD2-CB 3.11Å; D475-S510 PolarHBondContact OD2-OG 3.28Å; P508-S510 PolarHBondContact O-N 3.09Å; S510-D512 PolarHBondContact O-N 3.38Å; S510-D512 PolarHBondContact OG-O 3.36Å; S510-R530 PolarHBondContact OG-NH2 2.86Å
511S89.2Confident86.4Confident120 Ų12052.7 Ų52.784%0.83929%0.293SS*.SBendtrans-69.4-14.9178.360.60000113.8V509V509-S511 PolarHBondContact O-N 3.17Å
512D90.4Very high86.7Confident25 Ų2552.2 Ų52.213%0.13430%0.297CS..SBendtrans-134.285.2177.9170.132.4000107.5S510 R530 E531 S532S510-D512 PolarHBondContact O-N 3.38Å; S510-D512 PolarHBondContact OG-O 3.36Å; D512-R530 VanDerWaalsContact CB-CZ 3.44Å; D512-R530 VanDerWaalsContact CG-CZ 3.47Å; D512-R530 PolarHBondContact O-NE 2.9Å; D512-R530 PolarHBondContact O-NH2 3.42Å; D512-R530 WeakPolarHBondContact OD1-CB 3.38Å; D512-R530 WeakPolarHBondContact OD2-CB 3.37Å; D512-R530 WeakPolarHBondContact OD2-CD 3.42Å; D512-R530 IonicContact OD2-CZ 3.19Å; D512-R530 IonicContact OD2-NE 3.84Å; D512-R530 PolarHBondContact OD2-NE 2.91Å; D512-R530 IonicContact OD2-NH1 3.09Å; D512-R530 PolarHBondContact OD2-NH1 3.48Å; D512-E531 PolarHBondContact OD1-N 2.98Å; D512-S532 VanDerWaalsContact CG-OG 3.23Å; D512-S532 VanDerWaalsContact OD1-CB 3.27Å; D512-S532 WeakPolarHBondContact OD1-CB 3.36Å; D512-S532 PolarHBondContact OD1-N 3.32Å; D512-S532 PolarHBondContact OD1-OG 3.41Å; D512-S532 WeakPolarHBondContact OD2-CB 3.45Å; D512-S532 PolarHBondContact OD2-OG 3.39Å
513P92.3Very high86.8Confident16 Ų1652.2 Ų52.210%0.10430%0.303CS..  trans-70.4160.1-166.229.5-36.3000112.4K436 S515 R530 E531K436-P513 HydrophobicContact CB-CB 3.73Å; K436-P513 HydrophobicContact CD-CB 4.34Å; K436-P513 HydrophobicContact CG-CB 4.26Å; K436-P513 CarbonylContact O-C 3.57Å; K436-P513 WeakPolarHBondContact O-CA 3.23Å; K436-P513 VanDerWaalsContact O-CB 3.24Å; K436-P513 WeakPolarHBondContact O-CB 2.99Å; P513-S515 PolarHBondContact O-N 3Å; P513-R530 WeakPolarHBondContact O-CA 3.34Å; P513-E531 WeakPolarHBondContact CD-OE2 3.2Å; P513-E531 HydrophobicContact CG-CB 4.45Å; P513-E531 HydrophobicContact CG-CG 3.84Å; P513-E531 WeakPolarHBondContact CG-OE1 3.32Å; P513-E531 VanDerWaalsContact CG-OE2 3.24Å; P513-E531 WeakPolarHBondContact CG-OE2 3.42Å; P513-E531 PolarHBondContact O-N 2.95Å
514I93.2Very high87.2Confident4 Ų454.3 Ų54.32%0.02130%0.302CS..EExtended strand (participates in β ladder)trans-65.3130173-61.6165.4000109I434 N435 K436 I439 I474 I528I434-I514 HydrophobicContact CB-CD1 4.46Å; I434-I514 HydrophobicContact CB-CG2 4.4Å; I434-I514 HydrophobicContact CD1-CG2 3.51Å; I434-I514 HydrophobicContact CG2-CD1 4.36Å; N435-I514 VanDerWaalsContact O-CD1 3.26Å; N435-I514 WeakPolarHBondContact O-CD1 3.47Å; K436-I514 PolarHBondContact O-N 3.13Å; I439-I514 HydrophobicContact CG1-CD1 4.11Å; I474-I514 HydrophobicContact CB-CD1 3.99Å; I474-I514 HydrophobicContact CB-CG1 4.13Å; I474-I514 HydrophobicContact CD1-CD1 3.92Å; I474-I514 HydrophobicContact CD1-CG1 3.96Å; I474-I514 HydrophobicContact CG1-CD1 4.02Å; I474-I514 HydrophobicContact CG1-CG1 3.79Å; I474-I514 HydrophobicContact CG2-CG1 4.42Å; I514-I528 HydrophobicContact CB-CG2 4.37Å; I514-I528 HydrophobicContact CD1-CG2 4.34Å; I514-I528 HydrophobicContact CG1-CG2 3.98Å; I514-I528 HydrophobicContact CG2-CG2 3.56Å
515S91.9Very high87.7Confident26 Ų2654.7 Ų54.718%0.18230%0.301CS..EExtended strand (participates in β ladder)trans-98.5-44.6177.671.80000112.9P513 A529 P556P513-S515 PolarHBondContact O-N 3Å; S515-A529 PolarHBondContact N-O 3.4Å; S515-A529 PolarHBondContact OG-O 3.05Å; S515-P556 VanDerWaalsContact CB-O 3.26Å; S515-P556 WeakPolarHBondContact CB-O 3.23Å; S515-P556 PolarHBondContact OG-O 2.95Å
516T93.7Very high88.3Confident4 Ų452.1 Ų52.13%0.02529%0.289CS..EExtended strand (participates in β ladder)trans-160.7165.5-177.9-174.50000111.8Q423 A529 P556 I559Q423-T516 PolarHBondContact OE1-OG1 3.38Å; T516-A529 HydrophobicContact CG2-CB 3.71Å; T516-A529 PolarHBondContact N-O 3.46Å; T516-A529 PolarHBondContact O-N 2.85Å; T516-P556 HydrophobicContact CG2-CB 4.43Å; T516-I559 HydrophobicContact CG2-CB 4.43Å; T516-I559 HydrophobicContact CG2-CD1 4.47Å; T516-I559 HydrophobicContact CG2-CG1 3.97Å; T516-I559 HydrophobicContact CG2-CG2 3.95Å
517L94.9Very high88.9Confident1 Ų145.8 Ų45.81%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-135163.317365.674.5000113Q423 M425 I432 I434 L526 L527 I528Q423-L517 PolarHBondContact NE2-O 3.49Å; Q423-L517 VanDerWaalsContact OE1-N 3.09Å; M425-L517 HydrophobicContact CB-CD1 3.66Å; M425-L517 HydrophobicContact CG-CD1 3.3Å; M425-L517 HydrophobicContact SD-CD1 3.23Å; M425-L517 WeakPolarHBondContact SD-CD1 3.49Å; I432-L517 HydrophobicContact CG2-CD2 4.31Å; I434-L517 HydrophobicContact CB-CD2 4.03Å; I434-L517 HydrophobicContact CD1-CB 3.99Å; I434-L517 HydrophobicContact CD1-CD2 3.54Å; I434-L517 HydrophobicContact CD1-CG 3.7Å; I434-L517 HydrophobicContact CG1-CD2 3.46Å; I434-L517 VanDerWaalsContact CG1-CD2 3.46Å; I434-L517 HydrophobicContact CG1-CG 4.13Å; I434-L517 HydrophobicContact CG2-CD2 3.47Å; I434-L517 VanDerWaalsContact CG2-CD2 3.47Å; L517-L526 HydrophobicContact CB-CD1 4.32Å; L517-L526 HydrophobicContact CD1-CD1 4.45Å; L517-L526 HydrophobicContact CD2-CD1 4.36Å; L517-L527 CarbonylContact C-O 3.49Å; L517-L527 VanDerWaalsContact CA-O 3.23Å; L517-L527 WeakPolarHBondContact CA-O 3.04Å; L517-L527 WeakPolarHBondContact CB-O 3.48Å; L517-I528 HydrophobicContact CB-CG1 4.22Å
518T94.3Very high89.5Confident11 Ų1142.2 Ų42.27%0.06724%0.238CC..EExtended strand (participates in β ladder)trans-147.8157.7166.9-162.80000111.3M425 L527 I559 V561M425-T518 VanDerWaalsContact SD-CA 3.54Å; T518-L527 HydrophobicContact CG2-CB 3.92Å; T518-L527 HydrophobicContact CG2-CD1 4.45Å; T518-L527 PolarHBondContact N-O 3.35Å; T518-L527 PolarHBondContact O-N 3.46Å; T518-I559 WeakPolarHBondContact CB-O 3.3Å; T518-I559 HydrophobicContact CG2-CB 4.45Å; T518-I559 HydrophobicContact CG2-CD1 3.8Å; T518-I559 HydrophobicContact CG2-CG1 3.7Å; T518-V561 HydrophobicContact CG2-CB 4.15Å; T518-V561 HydrophobicContact CG2-CG1 4.03Å
519I92.2Very high90.1Very high7 Ų737.2 Ų37.24%0.03621%0.205CC..EExtended strand (participates in β ladder)trans-121133178.2-62.8174.4000109.5M425 T427 I432 R525 L526 L540M425-I519 HydrophobicContact CB-CD1 3.56Å; M425-I519 HydrophobicContact CB-CG1 4.19Å; M425-I519 HydrophobicContact CG-CD1 4.48Å; M425-I519 HydrophobicContact SD-CB 4.08Å; M425-I519 HydrophobicContact SD-CD1 4.11Å; M425-I519 HydrophobicContact SD-CG1 3.73Å; M425-I519 PolarHBondContact SD-N 2.84Å; M425-I519 VanDerWaalsContact SD-N 3.42Å; T427-I519 HydrophobicContact CG2-CD1 3.86Å; T427-I519 HydrophobicContact CG2-CG2 4.04Å; I432-I519 HydrophobicContact CD1-CD1 3.77Å; I432-I519 HydrophobicContact CG1-CD1 4.49Å; I519-R525 WeakPolarHBondContact CA-O 3.43Å; I519-L526 HydrophobicContact CD1-CD1 4.41Å; I519-L526 HydrophobicContact CG1-CD1 3.74Å; I519-L540 HydrophobicContact CD1-CD1 4.49Å; I519-L540 HydrophobicContact CG2-CD1 4.26Å
520S90.1Very high90.6Very high3 Ų332.8 Ų32.82%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-88.5104.8163.6177.60000109.2S522 T523 R524 R525S520-S522 VanDerWaalsContact C-N 3.29Å; S520-S522 PolarHBondContact O-N 3.3Å; S520-S522 PolarHBondContact OG-OG 3.3Å; S520-T523 WeakPolarHBondContact CB-OG1 3.5Å; S520-T523 PolarHBondContact OG-N 3.27Å; S520-T523 PolarHBondContact OG-OG1 3.27Å; S520-R524 VanDerWaalsContact O-CA 3.3Å; S520-R524 WeakPolarHBondContact O-CA 3.43Å; S520-R524 PolarHBondContact O-N 2.79Å; S520-R525 PolarHBondContact N-O 2.96Å; S520-R525 PolarHBondContact O-N 3.08Å
521H82.8Confident90.8Very high116 Ų11636.8 Ų36.854%0.53719%0.194SC..THydrogen-bonded Turntrans-63.4-33.7-179.4-65.8-76.7000113.1M426M426-H521 PolarHBondContact O-CE1 2.85Å
522S81Confident90.9Very high78 Ų7833.6 Ų33.655%0.54517%0.172SC..THydrogen-bonded Turntrans-71.6-44.9-179.455.70000113S520 C563S520-S522 VanDerWaalsContact C-N 3.29Å; S520-S522 PolarHBondContact O-N 3.3Å; S520-S522 PolarHBondContact OG-OG 3.3Å; S522-C563 VanDerWaalsContact CB-O 3.23Å; S522-C563 WeakPolarHBondContact CB-O 3.46Å; S522-C563 PolarHBondContact OG-O 3.44Å
523T83.2Confident90.8Very high51 Ų5132.4 Ų32.431%0.31317%0.166SC..THydrogen-bonded Turntrans-94.1-4.8-177.764.90000113.2S520 R525 A565S520-T523 WeakPolarHBondContact CB-OG1 3.5Å; S520-T523 PolarHBondContact OG-N 3.27Å; S520-T523 PolarHBondContact OG-OG1 3.27Å; T523-R525 PolarHBondContact O-N 3.38Å; T523-A565 HydrophobicContact CG2-CB 3.9Å
524R86.8Confident90.9Very high149 Ų14933.4 Ų33.456%0.56217%0.17SC*.THydrogen-bonded Turntrans52.941.3-175.2-60-176.7175.6-175.9-2.1112.6S520 L540S520-R524 VanDerWaalsContact O-CA 3.3Å; S520-R524 WeakPolarHBondContact O-CA 3.43Å; S520-R524 PolarHBondContact O-N 2.79Å; R524-L540 HydrophobicContact CB-CB 4.46Å; R524-L540 WeakPolarHBondContact O-CB 3.25Å; R524-L540 PolarHBondContact O-N 3.43Å
525R89.8Confident90.9Very high52 Ų5233.2 Ų33.220%0.19617%0.169CC..EExtended strand (participates in β ladder)trans-105.6134.6177-73176.3164.5169-3.1110.8I519 S520 T523 L527 I537 Y538 E546I519-R525 WeakPolarHBondContact CA-O 3.43Å; S520-R525 PolarHBondContact N-O 2.96Å; S520-R525 PolarHBondContact O-N 3.08Å; T523-R525 PolarHBondContact O-N 3.38Å; R525-L527 HydrophobicContact CB-CD1 4.18Å; R525-I537 HydrophobicContact CB-CG2 4.2Å; R525-I537 HydrophobicContact CG-CG2 4.22Å; R525-Y538 CarbonylContact C-O 3.56Å; R525-Y538 WeakPolarHBondContact CA-O 3.49Å; R525-E546 IonicContact CZ-OE2 2.79Å; R525-E546 IonicContact NE-OE1 3.08Å; R525-E546 IonicContact NE-OE2 2.67Å; R525-E546 PolarHBondContact NE-OE2 3.29Å; R525-E546 IonicContact NH2-OE2 3.18Å; R525-E546 PolarHBondContact NH2-OE2 3.24Å
526L92.4Very high90.9Very high0 Ų032.2 Ų32.20%016%0.162CC..EExtended strand (participates in β ladder)trans-98.4127.4168.8172.170.5000108.4I432 I439 L517 I519 I528 I537 Y538 L540 L543I432-L526 HydrophobicContact CD1-CD1 4.12Å; I432-L526 HydrophobicContact CD1-CD2 4.11Å; I432-L526 HydrophobicContact CG2-CD1 4.3Å; I432-L526 HydrophobicContact CG2-CD2 4.05Å; I439-L526 HydrophobicContact CG2-CD2 4.3Å; L517-L526 HydrophobicContact CB-CD1 4.32Å; L517-L526 HydrophobicContact CD1-CD1 4.45Å; L517-L526 HydrophobicContact CD2-CD1 4.36Å; I519-L526 HydrophobicContact CD1-CD1 4.41Å; I519-L526 HydrophobicContact CG1-CD1 3.74Å; L526-I528 HydrophobicContact CD1-CG1 4.39Å; L526-I528 HydrophobicContact CD2-CD1 3.86Å; L526-I528 HydrophobicContact CD2-CG1 4.16Å; L526-I528 HydrophobicContact CG-CD1 4.25Å; L526-I528 HydrophobicContact CG-CG1 3.98Å; L526-I537 CarbonylContact O-C 3.54Å; L526-I537 WeakPolarHBondContact O-CA 3.35Å; L526-Y538 PolarHBondContact N-O 3.4Å; L526-Y538 PolarHBondContact O-N 3.36Å; L526-L540 HydrophobicContact CB-CD1 4.22Å; L526-L540 HydrophobicContact CB-CD2 4.16Å; L526-L540 HydrophobicContact CB-CG 4.18Å; L526-L543 HydrophobicContact CD2-CD2 3.65Å
527L94.3Very high90.8Very high1 Ų132 Ų321%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-112.7130.3175.5-6781.1000108.2L517 T518 R525 I535 Q536 I537 I559 L568 I582L517-L527 CarbonylContact C-O 3.49Å; L517-L527 VanDerWaalsContact CA-O 3.23Å; L517-L527 WeakPolarHBondContact CA-O 3.04Å; L517-L527 WeakPolarHBondContact CB-O 3.48Å; T518-L527 HydrophobicContact CG2-CB 3.92Å; T518-L527 HydrophobicContact CG2-CD1 4.45Å; T518-L527 PolarHBondContact N-O 3.35Å; T518-L527 PolarHBondContact O-N 3.46Å; R525-L527 HydrophobicContact CB-CD1 4.18Å; L527-I535 HydrophobicContact CB-CG2 4.43Å; L527-Q536 WeakPolarHBondContact CA-O 3.16Å; L527-I537 HydrophobicContact CD2-CD1 4.28Å; L527-I537 HydrophobicContact CD2-CG1 4.43Å; L527-I537 HydrophobicContact CG-CD1 4.35Å; L527-I537 HydrophobicContact CG-CG1 4.09Å; L527-I559 HydrophobicContact CB-CD1 4.14Å; L527-L568 HydrophobicContact CD2-CD1 3.71Å; L527-I582 HydrophobicContact CD2-CD1 3.96Å
528I94.6Very high90.6Very high0 Ų032.7 Ų32.70%016%0.163CC..EExtended strand (participates in β ladder)trans-123.8127.8-178.8-59.9-178.3000108.4I439 I474 I514 L517 L526 I535 Q536 Y538I439-I528 HydrophobicContact CD1-CD1 3.22Å; I439-I528 HydrophobicContact CG1-CD1 3.59Å; I439-I528 HydrophobicContact CG2-CD1 4.34Å; I474-I528 HydrophobicContact CD1-CD1 4.39Å; I474-I528 HydrophobicContact CD1-CG2 4.07Å; I514-I528 HydrophobicContact CB-CG2 4.37Å; I514-I528 HydrophobicContact CD1-CG2 4.34Å; I514-I528 HydrophobicContact CG1-CG2 3.98Å; I514-I528 HydrophobicContact CG2-CG2 3.56Å; L517-I528 HydrophobicContact CB-CG1 4.22Å; L526-I528 HydrophobicContact CD1-CG1 4.39Å; L526-I528 HydrophobicContact CD2-CD1 3.86Å; L526-I528 HydrophobicContact CD2-CG1 4.16Å; L526-I528 HydrophobicContact CG-CD1 4.25Å; L526-I528 HydrophobicContact CG-CG1 3.98Å; I528-I535 CarbonylContact O-C 3.59Å; I528-I535 VanDerWaalsContact O-CA 3.3Å; I528-I535 WeakPolarHBondContact O-CA 3.44Å; I528-Q536 PolarHBondContact N-O 3.15Å; I528-Q536 PolarHBondContact O-N 2.96Å; I528-Y538 HydrophobicContact CD1-CD2 4.05Å; I528-Y538 HydrophobicContact CD1-CE2 3.81Å; I528-Y538 HydrophobicContact CG1-CD2 4.4Å; I528-Y538 HydrophobicContact CG1-CE2 4.35Å
529A94.8Very high90.3Very high0 Ų037.5 Ų37.50%018%0.18CC..EExtended strand (participates in β ladder)trans-98.5144.7173.200000111.3S515 T516 L534 I535 P556 I559S515-A529 PolarHBondContact N-O 3.4Å; S515-A529 PolarHBondContact OG-O 3.05Å; T516-A529 HydrophobicContact CG2-CB 3.71Å; T516-A529 PolarHBondContact N-O 3.46Å; T516-A529 PolarHBondContact O-N 2.85Å; A529-L534 CarbonylContact C-O 3.51Å; A529-L534 WeakPolarHBondContact CA-O 3.07Å; A529-I535 HydrophobicContact CB-CD1 3.41Å; A529-I535 VanDerWaalsContact CB-CD1 3.41Å; A529-P556 HydrophobicContact CB-CB 3.87Å; A529-P556 HydrophobicContact CB-CG 4.08Å; A529-I559 HydrophobicContact CB-CD1 4.15Å; A529-I559 HydrophobicContact CB-CG2 4.12Å
530R93.3Very high90.1Very high17 Ų1737.7 Ų37.76%0.06418%0.181CC..EExtended strand (participates in β ladder)trans-107.8160.2172.3-51.5-172.777.6-16721.4110.8D475 S510 D512 P513 S532 G533 L534 P556D475-R530 IonicContact OD1-CZ 3.92Å; D475-R530 IonicContact OD1-NH1 3.64Å; D475-R530 IonicContact OD1-NH2 3.37Å; D475-R530 PolarHBondContact OD1-NH2 3.32Å; D475-R530 IonicContact OD2-NH2 3.18Å; S510-R530 PolarHBondContact OG-NH2 2.86Å; D512-R530 VanDerWaalsContact CB-CZ 3.44Å; D512-R530 VanDerWaalsContact CG-CZ 3.47Å; D512-R530 PolarHBondContact O-NE 2.9Å; D512-R530 PolarHBondContact O-NH2 3.42Å; D512-R530 WeakPolarHBondContact OD1-CB 3.38Å; D512-R530 WeakPolarHBondContact OD2-CB 3.37Å; D512-R530 WeakPolarHBondContact OD2-CD 3.42Å; D512-R530 IonicContact OD2-CZ 3.19Å; D512-R530 IonicContact OD2-NE 3.84Å; D512-R530 PolarHBondContact OD2-NE 2.91Å; D512-R530 IonicContact OD2-NH1 3.09Å; D512-R530 PolarHBondContact OD2-NH1 3.48Å; P513-R530 WeakPolarHBondContact O-CA 3.34Å; R530-S532 PolarHBondContact O-N 3.43Å; R530-G533 PolarHBondContact O-N 3.39Å; R530-L534 HydrophobicContact CB-CB 4.34Å; R530-L534 HydrophobicContact CG-CB 4.41Å; R530-L534 PolarHBondContact N-O 3.02Å; R530-P556 VanDerWaalsContact O-CD 3.26Å; R530-P556 WeakPolarHBondContact O-CD 3.44Å
531E91.4Very high89.5Confident91 Ų9139.3 Ų39.343%0.42519%0.192SC..THydrogen-bonded Turntrans-56.8-31178.6-74-173.6178.200112.9D512 P513 G533 C555D512-E531 PolarHBondContact OD1-N 2.98Å; P513-E531 WeakPolarHBondContact CD-OE2 3.2Å; P513-E531 HydrophobicContact CG-CB 4.45Å; P513-E531 HydrophobicContact CG-CG 3.84Å; P513-E531 WeakPolarHBondContact CG-OE1 3.32Å; P513-E531 VanDerWaalsContact CG-OE2 3.24Å; P513-E531 WeakPolarHBondContact CG-OE2 3.42Å; P513-E531 PolarHBondContact O-N 2.95Å; E531-G533 PolarHBondContact O-N 3.02Å; E531-C555 WeakPolarHBondContact O-CA 3.34Å
532S91.1Very high89.3Confident54 Ų5436.8 Ų36.838%0.37818%0.182SC..THydrogen-bonded Turntrans-68.3-6.8174.366.10000115.8D512 R530 L534D512-S532 VanDerWaalsContact CG-OG 3.23Å; D512-S532 VanDerWaalsContact OD1-CB 3.27Å; D512-S532 WeakPolarHBondContact OD1-CB 3.36Å; D512-S532 PolarHBondContact OD1-N 3.32Å; D512-S532 PolarHBondContact OD1-OG 3.41Å; D512-S532 WeakPolarHBondContact OD2-CB 3.45Å; D512-S532 PolarHBondContact OD2-OG 3.39Å; R530-S532 PolarHBondContact O-N 3.43Å; S532-L534 PolarHBondContact OG-N 2.83Å
533G89.9Confident89.5Confident0 Ų033.4 Ų33.40%016%0.158CC..SBendtrans865.3-172.300000114.6R530 E531 V551R530-G533 PolarHBondContact O-N 3.39Å; E531-G533 PolarHBondContact O-N 3.02Å; G533-V551 PolarHBondContact O-N 2.9Å
534L92.7Very high89.5Confident37 Ų3735.9 Ų35.919%0.19416%0.162CC..EExtended strand (participates in β ladder)trans-74.9128.8173.6-172.174000111.1A529 R530 S532 Q536 K548A529-L534 CarbonylContact C-O 3.51Å; A529-L534 WeakPolarHBondContact CA-O 3.07Å; R530-L534 HydrophobicContact CB-CB 4.34Å; R530-L534 HydrophobicContact CG-CB 4.41Å; R530-L534 PolarHBondContact N-O 3.02Å; S532-L534 PolarHBondContact OG-N 2.83Å; L534-Q536 HydrophobicContact CD2-CG 4.44Å; L534-K548 HydrophobicContact CD1-CB 4.34Å; L534-K548 HydrophobicContact CD1-CD 4.48Å; L534-K548 HydrophobicContact CD2-CD 4.42Å
535I93Very high89.6Confident0 Ų030.6 Ų30.60%014%0.143CC..EExtended strand (participates in β ladder)trans-105131.6172.8-52.3-58.7000109.7L527 I528 A529 K548 F549 V551 I559 L568L527-I535 HydrophobicContact CB-CG2 4.43Å; I528-I535 CarbonylContact O-C 3.59Å; I528-I535 VanDerWaalsContact O-CA 3.3Å; I528-I535 WeakPolarHBondContact O-CA 3.44Å; A529-I535 HydrophobicContact CB-CD1 3.41Å; A529-I535 VanDerWaalsContact CB-CD1 3.41Å; I535-K548 CarbonylContact O-C 2.94Å; I535-K548 WeakPolarHBondContact O-CA 3.21Å; I535-K548 WeakPolarHBondContact O-CB 3.4Å; I535-F549 HydrophobicContact CB-CD1 4.17Å; I535-F549 HydrophobicContact CB-CE1 3.77Å; I535-F549 HydrophobicContact CB-CE2 4.17Å; I535-F549 HydrophobicContact CB-CZ 3.79Å; I535-F549 HydrophobicContact CG1-CE2 4.11Å; I535-F549 HydrophobicContact CG1-CZ 4.06Å; I535-F549 HydrophobicContact CG2-CD1 4.43Å; I535-F549 HydrophobicContact CG2-CE1 3.64Å; I535-F549 HydrophobicContact CG2-CZ 3.76Å; I535-F549 PolarHBondContact N-O 3.01Å; I535-F549 PolarHBondContact O-N 2.94Å; I535-V551 HydrophobicContact CD1-CG2 4.22Å; I535-V551 HydrophobicContact CG1-CB 4.32Å; I535-V551 HydrophobicContact CG1-CG2 3.41Å; I535-V551 VanDerWaalsContact CG1-CG2 3.41Å; I535-I559 HydrophobicContact CD1-CG2 4.38Å; I535-L568 HydrophobicContact CD1-CD2 4.19Å; I535-L568 HydrophobicContact CG1-CD2 3.9Å; I535-L568 HydrophobicContact CG2-CD2 4.45Å
536Q92.2Very high89.4Confident4 Ų430.8 Ų30.82%0.01915%0.146CC..EExtended strand (participates in β ladder)trans-115.5135.9173.4-63.6-178.2-12.600110.1L527 I528 L534 Y538 F545 K548L527-Q536 WeakPolarHBondContact CA-O 3.16Å; I528-Q536 PolarHBondContact N-O 3.15Å; I528-Q536 PolarHBondContact O-N 2.96Å; L534-Q536 HydrophobicContact CD2-CG 4.44Å; Q536-Y538 HydrophobicContact CB-CE2 3.76Å; Q536-Y538 PolarHBondContact OE1-OH 3.44Å; Q536-F545 HydrophobicContact CB-CE2 4.18Å; Q536-F545 HydrophobicContact CG-CE2 4.25Å; Q536-K548 HydrophobicContact CG-CB 4.14Å
537I92.1Very high89.3Confident1 Ų132 Ų321%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-111.6131.4-179.6-54.8-168.3000109.9R525 L526 L527 E546 M547 F549 I582R525-I537 HydrophobicContact CB-CG2 4.2Å; R525-I537 HydrophobicContact CG-CG2 4.22Å; L526-I537 CarbonylContact O-C 3.54Å; L526-I537 WeakPolarHBondContact O-CA 3.35Å; L527-I537 HydrophobicContact CD2-CD1 4.28Å; L527-I537 HydrophobicContact CD2-CG1 4.43Å; L527-I537 HydrophobicContact CG-CD1 4.35Å; L527-I537 HydrophobicContact CG-CG1 4.09Å; I537-E546 HydrophobicContact CG2-CB 4.39Å; I537-E546 PolarHBondContact O-N 2.99Å; I537-M547 HydrophobicContact CB-CG 3.95Å; I537-M547 HydrophobicContact CD1-CG 3.91Å; I537-M547 HydrophobicContact CD1-SD 3.99Å; I537-M547 HydrophobicContact CG1-CG 4.01Å; I537-M547 PolarHBondContact N-O 3.33Å; I537-F549 HydrophobicContact CD1-CE1 3.92Å; I537-F549 HydrophobicContact CG1-CE1 4.21Å; I537-I582 HydrophobicContact CD1-CG2 3.74Å
538Y90.1Very high89Confident15 Ų1537.6 Ų37.66%0.05918%0.177CC..EExtended strand (participates in β ladder)trans-123.9143.6177.4-61.3-95000111.3I439 R525 L526 I528 Q536 L543 Y544 F545I439-Y538 HydrophobicContact CD1-CE2 4.07Å; R525-Y538 CarbonylContact C-O 3.56Å; R525-Y538 WeakPolarHBondContact CA-O 3.49Å; L526-Y538 PolarHBondContact N-O 3.4Å; L526-Y538 PolarHBondContact O-N 3.36Å; I528-Y538 HydrophobicContact CD1-CD2 4.05Å; I528-Y538 HydrophobicContact CD1-CE2 3.81Å; I528-Y538 HydrophobicContact CG1-CD2 4.4Å; I528-Y538 HydrophobicContact CG1-CE2 4.35Å; Q536-Y538 HydrophobicContact CB-CE2 3.76Å; Q536-Y538 PolarHBondContact OE1-OH 3.44Å; Y538-L543 WeakPolarHBondContact CD1-O 3.42Å; Y538-Y544 CarbonylContact C-O 3.54Å; Y538-Y544 VanDerWaalsContact CA-O 3.28Å; Y538-Y544 WeakPolarHBondContact CA-O 3.26Å; Y538-F545 HydrophobicContact CD1-CB 4.06Å; Y538-F545 HydrophobicContact CD1-CD2 4.47Å; Y538-F545 HydrophobicContact CE1-CB 3.91Å; Y538-F545 AromaticContact CE1-CD2 3.97Å; Y538-F545 HydrophobicContact CE1-CD2 3.97Å; Y538-F545 HydrophobicContact CE1-CG 4.45Å
539R89.4Confident88.9Confident111 Ų11138.9 Ų38.942%0.41918%0.182SC..EExtended strand (participates in β ladder)trans-88.5129.6173.1-162.6-174.472.2172.54110.7D542 L543 Y544 E546R539-D542 IonicContact NH2-OD2 3.65Å; R539-D542 PolarHBondContact NH2-OD2 3.29Å; R539-L543 WeakPolarHBondContact O-CA 3.41Å; R539-L543 PolarHBondContact O-N 3.48Å; R539-Y544 PolarHBondContact N-O 3.1Å; R539-Y544 PolarHBondContact O-N 3.34Å; R539-Y544 VanDerWaalsContact O-N 3.11Å; R539-E546 HydrophobicContact CB-CG 4.12Å; R539-E546 WeakPolarHBondContact CB-OE1 3.15Å
540L86.4Confident88.6Confident12 Ų1242.5 Ų42.56%0.06321%0.208CC..THydrogen-bonded Turntrans-95147.6173.6-58.4175000110.4T427 I432 I519 R524 L526 L543T427-L540 HydrophobicContact CG2-CD1 3.9Å; I432-L540 HydrophobicContact CD1-CD1 3.68Å; I432-L540 HydrophobicContact CD1-CD2 3.61Å; I432-L540 HydrophobicContact CD1-CG 4.3Å; I519-L540 HydrophobicContact CD1-CD1 4.49Å; I519-L540 HydrophobicContact CG2-CD1 4.26Å; R524-L540 HydrophobicContact CB-CB 4.46Å; R524-L540 WeakPolarHBondContact O-CB 3.25Å; R524-L540 PolarHBondContact O-N 3.43Å; L526-L540 HydrophobicContact CB-CD1 4.22Å; L526-L540 HydrophobicContact CB-CD2 4.16Å; L526-L540 HydrophobicContact CB-CG 4.18Å; L540-L543 HydrophobicContact CD2-CD2 3.64Å; L540-L543 HydrophobicContact CD2-CG 4.35Å
541P77.8Confident88.3Confident37 Ų3742.6 Ų42.624%0.2421%0.21CC..THydrogen-bonded Turncis-86.4-8.810.332.9-34.8000116Q430 R470 L543Q430-P541 PolarHBondContact NE2-O 2.93Å; R470-P541 PolarHBondContact NH1-O 2.93Å; P541-L543 VanDerWaalsContact C-N 3.32Å; P541-L543 PolarHBondContact O-N 3.34Å
542D79.3Confident87.7Confident63 Ų6339.9 Ų39.934%0.33721%0.206SC..THydrogen-bonded Turntrans-81.1-6.2-166.3-52.7-42.2000114.9R470 R539 Y544R470-D542 IonicContact NH2-OD1 3.76Å; R539-D542 IonicContact NH2-OD2 3.65Å; R539-D542 PolarHBondContact NH2-OD2 3.29Å; D542-Y544 PolarHBondContact O-N 3.27Å
543L84.6Confident87.1Confident6 Ų644.7 Ų44.73%0.03123%0.228CC..THydrogen-bonded Turntrans5240.5-167.4-69.9175.6000112.6I439 A441 R470 Y472 L526 Y538 R539 L540 P541 F545I439-L543 HydrophobicContact CG2-CD1 4.27Å; I439-L543 HydrophobicContact CG2-CD2 4.37Å; A441-L543 HydrophobicContact CB-CD1 3.58Å; A441-L543 HydrophobicContact CB-CG 4.17Å; R470-L543 HydrophobicContact CB-CD1 4.21Å; Y472-L543 HydrophobicContact CD2-CB 4.04Å; Y472-L543 HydrophobicContact CD2-CD1 3.5Å; Y472-L543 VanDerWaalsContact CD2-CD1 3.5Å; Y472-L543 HydrophobicContact CD2-CG 4.44Å; Y472-L543 HydrophobicContact CE2-CB 3.63Å; Y472-L543 HydrophobicContact CE2-CD1 3.63Å; Y472-L543 HydrophobicContact CE2-CG 4.28Å; L526-L543 HydrophobicContact CD2-CD2 3.65Å; Y538-L543 WeakPolarHBondContact CD1-O 3.42Å; R539-L543 WeakPolarHBondContact O-CA 3.41Å; R539-L543 PolarHBondContact O-N 3.48Å; L540-L543 HydrophobicContact CD2-CD2 3.64Å; L540-L543 HydrophobicContact CD2-CG 4.35Å; P541-L543 VanDerWaalsContact C-N 3.32Å; P541-L543 PolarHBondContact O-N 3.34Å; L543-F545 PolarHBondContact O-N 3.21Å
544Y84.7Confident86.9Confident104 Ų10448 Ų4841%0.40825%0.246SC..EExtended strand (participates in β ladder)trans-76.7120.4178.3178.7-91.8000110.5Y538 R539 D542 E546Y538-Y544 CarbonylContact C-O 3.54Å; Y538-Y544 VanDerWaalsContact CA-O 3.28Å; Y538-Y544 WeakPolarHBondContact CA-O 3.26Å; R539-Y544 PolarHBondContact N-O 3.1Å; R539-Y544 PolarHBondContact O-N 3.34Å; R539-Y544 VanDerWaalsContact O-N 3.11Å; D542-Y544 PolarHBondContact O-N 3.27Å; Y544-E546 HydrophobicContact CD1-CG 4.37Å; Y544-E546 PolarHBondContact O-N 3.5Å
545F87.7Confident86.7Confident37 Ų3747.6 Ų47.616%0.16225%0.246CC..EExtended strand (participates in β ladder)trans-65.1123177.9176.2-96.4000111.3I477 Q536 Y538 L543 M547 K548I477-F545 HydrophobicContact CD1-CZ 4.35Å; I477-F545 HydrophobicContact CG2-CD1 3.62Å; I477-F545 HydrophobicContact CG2-CE1 3.81Å; I477-F545 HydrophobicContact CG2-CG 4.01Å; I477-F545 HydrophobicContact CG2-CZ 4.34Å; Q536-F545 HydrophobicContact CB-CE2 4.18Å; Q536-F545 HydrophobicContact CG-CE2 4.25Å; Y538-F545 HydrophobicContact CD1-CB 4.06Å; Y538-F545 HydrophobicContact CD1-CD2 4.47Å; Y538-F545 HydrophobicContact CE1-CB 3.91Å; Y538-F545 AromaticContact CE1-CD2 3.97Å; Y538-F545 HydrophobicContact CE1-CD2 3.97Å; Y538-F545 HydrophobicContact CE1-CG 4.45Å; L543-F545 PolarHBondContact O-N 3.21Å; F545-M547 WeakPolarHBondContact CE2-O 3.49Å; F545-M547 VanDerWaalsContact CZ-C 3.44Å; F545-K548 HydrophobicContact CE2-CB 4.27Å; F545-K548 HydrophobicContact CZ-CB 3.99Å; F545-K548 HydrophobicContact CZ-CD 4.35Å; F545-K548 HydrophobicContact CZ-CG 4.16Å
546E85.7Confident86.7Confident56 Ų5647.7 Ų47.726%0.26225%0.246SC..EExtended strand (participates in β ladder)trans-97.5-53.2178.9-65.3-165.6162.700112.1R525 I537 R539 Y544R525-E546 IonicContact CZ-OE2 2.79Å; R525-E546 IonicContact NE-OE1 3.08Å; R525-E546 IonicContact NE-OE2 2.67Å; R525-E546 PolarHBondContact NE-OE2 3.29Å; R525-E546 IonicContact NH2-OE2 3.18Å; R525-E546 PolarHBondContact NH2-OE2 3.24Å; I537-E546 HydrophobicContact CG2-CB 4.39Å; I537-E546 PolarHBondContact O-N 2.99Å; R539-E546 HydrophobicContact CB-CG 4.12Å; R539-E546 WeakPolarHBondContact CB-OE1 3.15Å; Y544-E546 HydrophobicContact CD1-CG 4.37Å; Y544-E546 PolarHBondContact O-N 3.5Å
547M89.3Confident86.5Confident25 Ų2551.1 Ų51.112%0.12326%0.259CS..EExtended strand (participates in β ladder)trans-163170.6-173.764.7174.475.100112.8I537 F545 P583I537-M547 HydrophobicContact CB-CG 3.95Å; I537-M547 HydrophobicContact CD1-CG 3.91Å; I537-M547 HydrophobicContact CD1-SD 3.99Å; I537-M547 HydrophobicContact CG1-CG 4.01Å; I537-M547 PolarHBondContact N-O 3.33Å; F545-M547 WeakPolarHBondContact CE2-O 3.49Å; F545-M547 VanDerWaalsContact CZ-C 3.44Å; M547-P583 VanDerWaalsContact CE-O 3.31Å; M547-P583 WeakPolarHBondContact CE-O 3.46Å
548K90Very high86.4Confident120 Ų12053.3 Ų53.352%0.52227%0.268SS..EExtended strand (participates in β ladder)trans-140.1146.5170.465.7-177-179179.70111.8L534 I535 Q536 F545L534-K548 HydrophobicContact CD1-CB 4.34Å; L534-K548 HydrophobicContact CD1-CD 4.48Å; L534-K548 HydrophobicContact CD2-CD 4.42Å; I535-K548 CarbonylContact O-C 2.94Å; I535-K548 WeakPolarHBondContact O-CA 3.21Å; I535-K548 WeakPolarHBondContact O-CB 3.4Å; Q536-K548 HydrophobicContact CG-CB 4.14Å; F545-K548 HydrophobicContact CE2-CB 4.27Å; F545-K548 HydrophobicContact CZ-CB 3.99Å; F545-K548 HydrophobicContact CZ-CD 4.35Å; F545-K548 HydrophobicContact CZ-CG 4.16Å
549F90.6Very high86.7Confident26 Ų2652.8 Ų52.811%0.11427%0.266CS..EExtended strand (participates in β ladder)trans-149.6161.1175.765.8-81.1000110.6I535 I537 V551 L568 I582 P583I535-F549 HydrophobicContact CB-CD1 4.17Å; I535-F549 HydrophobicContact CB-CE1 3.77Å; I535-F549 HydrophobicContact CB-CE2 4.17Å; I535-F549 HydrophobicContact CB-CZ 3.79Å; I535-F549 HydrophobicContact CG1-CE2 4.11Å; I535-F549 HydrophobicContact CG1-CZ 4.06Å; I535-F549 HydrophobicContact CG2-CD1 4.43Å; I535-F549 HydrophobicContact CG2-CE1 3.64Å; I535-F549 HydrophobicContact CG2-CZ 3.76Å; I535-F549 PolarHBondContact N-O 3.01Å; I535-F549 PolarHBondContact O-N 2.94Å; I537-F549 HydrophobicContact CD1-CE1 3.92Å; I537-F549 HydrophobicContact CG1-CE1 4.21Å; F549-V551 HydrophobicContact CD2-CG2 3.97Å; F549-V551 HydrophobicContact CE2-CG2 3.54Å; F549-V551 HydrophobicContact CZ-CG2 4.49Å; F549-L568 HydrophobicContact CE2-CD2 4.18Å; F549-L568 HydrophobicContact CZ-CD2 3.92Å; F549-I582 HydrophobicContact CE1-CG2 4.42Å; F549-I582 HydrophobicContact CZ-CG1 4.16Å; F549-P583 HydrophobicContact CB-CG 4.06Å; F549-P583 HydrophobicContact CG-CG 4.16Å
550S89.5Confident86.9Confident77 Ų7749.2 Ų49.254%0.53825%0.253SS..EExtended strand (participates in β ladder)trans-103.9145.6179.4-179.90000111.4G552S550-G552 PolarHBondContact OG-N 3.48Å
551V85.9Confident87.2Confident18 Ų1849.5 Ų49.511%0.10926%0.255CS..  trans-111.83-176.9174.40000112.5G533 I535 F549 L568 V570 H580G533-V551 PolarHBondContact O-N 2.9Å; I535-V551 HydrophobicContact CD1-CG2 4.22Å; I535-V551 HydrophobicContact CG1-CB 4.32Å; I535-V551 HydrophobicContact CG1-CG2 3.41Å; I535-V551 VanDerWaalsContact CG1-CG2 3.41Å; F549-V551 HydrophobicContact CD2-CG2 3.97Å; F549-V551 HydrophobicContact CE2-CG2 3.54Å; F549-V551 HydrophobicContact CZ-CG2 4.49Å; V551-L568 HydrophobicContact CG2-CD2 4.04Å; V551-V570 HydrophobicContact CG1-CB 4.03Å; V551-V570 HydrophobicContact CG1-CG1 4.16Å; V551-V570 HydrophobicContact CG1-CG2 3.72Å; V551-H580 WeakPolarHBondContact CG1-CD2 3.43Å; V551-H580 VanDerWaalsContact CG1-NE2 3.32Å; V551-H580 WeakPolarHBondContact CG1-NE2 3.3Å; V551-H580 PolarHBondContact O-CE1 3.34Å; V551-H580 VanDerWaalsContact O-CE1 3.27Å
552G79.9Confident87.9Confident34 Ų3447.8 Ų47.835%0.35124%0.244SC..  trans120.7-177.7-178.400000111.7S550S550-G552 PolarHBondContact OG-N 3.48Å
553D78.4Confident88.4Confident155 Ų15546.3 Ų46.383%0.82924%0.238SC*.SBendtrans-90.5-3.8-170.5-56-31.4000114.1
554N84.8Confident88.5Confident71 Ų7148.4 Ų48.438%0.3825%0.249SC..SBendtrans-88.4139.7-179.6-70.40000110.7P556 D572N554-P556 WeakPolarHBondContact O-CD 3.14Å; N554-D572 HydrophobicContact CB-CB 3.85Å; N554-D572 PolarHBondContact ND2-OD2 3.41Å
555C89.9Confident88.6Confident28 Ų2843.5 Ų43.519%0.18923%0.23CC..PPolyproline II helixtrans-61.9117.2177.2-177.90000111.6E531 Y557 D572 E573E531-C555 WeakPolarHBondContact O-CA 3.34Å; C555-Y557 PolarHBondContact O-N 2.95Å; C555-D572 WeakPolarHBondContact O-CA 3.17Å; C555-E573 HydrophobicContact CB-CG 4.41Å; C555-E573 PolarHBondContact O-N 3.49Å
556P91.8Very high88.5Confident1 Ų142.4 Ų42.41%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-68119.6175.7-20.535.1000110.8S515 T516 A529 R530 N554 I559 V570S515-P556 VanDerWaalsContact CB-O 3.26Å; S515-P556 WeakPolarHBondContact CB-O 3.23Å; S515-P556 PolarHBondContact OG-O 2.95Å; T516-P556 HydrophobicContact CG2-CB 4.43Å; A529-P556 HydrophobicContact CB-CB 3.87Å; A529-P556 HydrophobicContact CB-CG 4.08Å; R530-P556 VanDerWaalsContact O-CD 3.26Å; R530-P556 WeakPolarHBondContact O-CD 3.44Å; N554-P556 WeakPolarHBondContact O-CD 3.14Å; P556-I559 HydrophobicContact CB-CG2 4.22Å; P556-V570 HydrophobicContact CB-CG1 3.85Å; P556-V570 HydrophobicContact CG-CG1 4.37Å
557Y87.9Confident88.8Confident76 Ų7639.7 Ų39.730%0.29821%0.214SC..EExtended strand (participates in β ladder)trans-85.7-40.9175.1169.9-110.1000112.1M1 C555 I571M1-Y557 PolarHBondContact N-OH 3.03Å; M1-Y557 VanDerWaalsContact N-OH 3.16Å; C555-Y557 PolarHBondContact O-N 2.95Å; Y557-I571 WeakPolarHBondContact CA-O 3.5Å; Y557-I571 WeakPolarHBondContact CB-O 3.44Å; Y557-I571 HydrophobicContact CD1-CG2 4.37Å; Y557-I571 PolarHBondContact N-O 2.77Å
558R91.8Very high88.9Confident47 Ų4738.5 Ų38.518%0.17721%0.208CC..EExtended strand (participates in β ladder)trans-146.2144174.2-74.3-168.7-175.6174.36.8111.5Y560 I571R558-Y560 HydrophobicContact CB-CE2 3.8Å; R558-Y560 WeakPolarHBondContact CD-OH 3.39Å; R558-Y560 PolarHBondContact NH1-OH 2.93Å; R558-I571 HydrophobicContact CB-CB 4.45Å; R558-I571 PolarHBondContact N-O 3.15Å; R558-I571 PolarHBondContact O-N 3.2Å
559I94.8Very high89.1Confident5 Ų532.8 Ų32.83%0.02618%0.183CC..EExtended strand (participates in β ladder)trans-124.4144.8175.362.9172.5000110.9T516 T518 L527 A529 I535 P556 L568 G569 V570T516-I559 HydrophobicContact CG2-CB 4.43Å; T516-I559 HydrophobicContact CG2-CD1 4.47Å; T516-I559 HydrophobicContact CG2-CG1 3.97Å; T516-I559 HydrophobicContact CG2-CG2 3.95Å; T518-I559 WeakPolarHBondContact CB-O 3.3Å; T518-I559 HydrophobicContact CG2-CB 4.45Å; T518-I559 HydrophobicContact CG2-CD1 3.8Å; T518-I559 HydrophobicContact CG2-CG1 3.7Å; L527-I559 HydrophobicContact CB-CD1 4.14Å; A529-I559 HydrophobicContact CB-CD1 4.15Å; A529-I559 HydrophobicContact CB-CG2 4.12Å; I535-I559 HydrophobicContact CD1-CG2 4.38Å; P556-I559 HydrophobicContact CB-CG2 4.22Å; I559-L568 HydrophobicContact CB-CD1 4.13Å; I559-G569 CarbonylContact C-O 3.52Å; I559-G569 WeakPolarHBondContact CA-O 3.31Å; I559-V570 HydrophobicContact CB-CG2 4.47Å; I559-V570 HydrophobicContact CG2-CB 4.38Å; I559-V570 HydrophobicContact CG2-CG1 4.15Å; I559-V570 HydrophobicContact CG2-CG2 3.75Å
560Y94.5Very high89.2Confident36 Ų3632 Ų3214%0.14118%0.18CC..EExtended strand (participates in β ladder)trans-135.7139.7-179.4-57.1-91.9000108.6R558 L568 G569 I571 D608 V609R558-Y560 HydrophobicContact CB-CE2 3.8Å; R558-Y560 WeakPolarHBondContact CD-OH 3.39Å; R558-Y560 PolarHBondContact NH1-OH 2.93Å; Y560-L568 CarbonylContact O-C 3.55Å; Y560-L568 WeakPolarHBondContact O-CA 3.49Å; Y560-G569 PolarHBondContact N-O 3.39Å; Y560-G569 PolarHBondContact O-N 3.36Å; Y560-I571 HydrophobicContact CE2-CD1 3.74Å; Y560-I571 HydrophobicContact CE2-CG1 4.17Å; Y560-D608 PolarHBondContact OH-OD1 3.35Å; Y560-V609 HydrophobicContact CD1-CB 4.36Å; Y560-V609 VanDerWaalsContact CD1-O 3.25Å; Y560-V609 WeakPolarHBondContact CD1-O 3.46Å; Y560-V609 HydrophobicContact CD2-CB 3.74Å; Y560-V609 HydrophobicContact CD2-CG1 4.29Å; Y560-V609 HydrophobicContact CD2-CG2 4.27Å; Y560-V609 HydrophobicContact CE1-CB 4.41Å; Y560-V609 WeakPolarHBondContact CE1-O 3.23Å; Y560-V609 HydrophobicContact CE2-CB 3.79Å; Y560-V609 HydrophobicContact CE2-CG2 4.14Å; Y560-V609 HydrophobicContact CG-CB 4.02Å; Y560-V609 HydrophobicContact CG-CG1 4.3Å
561V93.3Very high89.4Confident18 Ų1828.3 Ų28.311%0.10916%0.155CC..EExtended strand (participates in β ladder)trans-116.2140.3-179.864.40000109.5T518 A565 I582 F611T518-V561 HydrophobicContact CG2-CB 4.15Å; T518-V561 HydrophobicContact CG2-CG1 4.03Å; V561-A565 HydrophobicContact CG2-CB 3.78Å; V561-I582 HydrophobicContact CG2-CD1 4.07Å; V561-F611 WeakPolarHBondContact O-CD2 3.4Å
562N92.2Very high89.6Confident1 Ų127.6 Ų27.61%0.00515%0.15CC..  trans-72.6168.3175.972.2-19.1000112N564 A565 T566 C567 F611 P616N562-N564 PolarHBondContact ND2-OD1 2.99Å; N562-N564 PolarHBondContact O-N 3.43Å; N562-N564 PolarHBondContact OD1-OD1 3.27Å; N562-N564 VanDerWaalsContact OD1-OD1 3.09Å; N562-A565 PolarHBondContact O-N 3.38Å; N562-A565 WeakPolarHBondContact OD1-CA 3.37Å; N562-A565 PolarHBondContact OD1-N 3.16Å; N562-A565 VanDerWaalsContact OD1-N 3.13Å; N562-T566 PolarHBondContact ND2-OG1 3.49Å; N562-T566 PolarHBondContact OD1-N 3.33Å; N562-C567 HydrophobicContact CB-CB 4.38Å; N562-C567 PolarHBondContact N-O 2.9Å; N562-C567 VanDerWaalsContact N-O 3.07Å; N562-C567 PolarHBondContact ND2-N 3.21Å; N562-C567 PolarHBondContact OD1-N 2.76Å; N562-C567 PolarHBondContact OD1-O 3.37Å; N562-F611 HydrophobicContact CB-CB 4.27Å; N562-F611 HydrophobicContact CB-CD1 3.54Å; N562-F611 HydrophobicContact CB-CD2 4.35Å; N562-F611 HydrophobicContact CB-CE1 3.9Å; N562-F611 HydrophobicContact CB-CG 3.8Å; N562-F611 HydrophobicContact CB-CZ 4.44Å; N562-P616 WeakPolarHBondContact ND2-CB 3.23Å; N562-P616 PolarHBondContact ND2-O 3.29Å
563C88.8Confident89.9Confident32 Ų3232.5 Ų32.522%0.21616%0.164CC..THydrogen-bonded Turntrans-62.9-17.5-169.565.80000115.4S522 E612 E613 P616S522-C563 VanDerWaalsContact CB-O 3.23Å; S522-C563 WeakPolarHBondContact CB-O 3.46Å; S522-C563 PolarHBondContact OG-O 3.44Å; C563-E612 WeakPolarHBondContact CB-O 3.42Å; C563-E613 WeakPolarHBondContact CB-O 3.24Å; C563-P616 VanDerWaalsContact SG-N 3.41Å
564N86.3Confident90.1Very high49 Ų4928.2 Ų28.226%0.26215%0.146SC..THydrogen-bonded Turntrans-112.97.2176.367.5-13.3000113.4N562 T566 P616N562-N564 PolarHBondContact ND2-OD1 2.99Å; N562-N564 PolarHBondContact O-N 3.43Å; N562-N564 PolarHBondContact OD1-OD1 3.27Å; N562-N564 VanDerWaalsContact OD1-OD1 3.09Å; N564-T566 VanDerWaalsContact C-N 3.32Å; N564-T566 HydrophobicContact CB-CG2 4.47Å; N564-T566 WeakPolarHBondContact ND2-CG2 3.31Å; N564-T566 PolarHBondContact ND2-OG1 3.34Å; N564-T566 PolarHBondContact O-N 2.65Å; N564-T566 PolarHBondContact OD1-N 3.13Å; N564-T566 PolarHBondContact OD1-OG1 3.47Å; N564-P616 HydrophobicContact CB-CB 4.42Å; N564-P616 VanDerWaalsContact CG-CB 3.45Å; N564-P616 WeakPolarHBondContact ND2-CB 3.12Å; N564-P616 VanDerWaalsContact OD1-CB 3.24Å; N564-P616 WeakPolarHBondContact OD1-CB 3.38Å
565A86.9Confident90.2Very high2 Ų225 Ų252%0.01713%0.129CC..SBendtrans55.437.2-178.800000115.8T523 V561 N562 I582T523-A565 HydrophobicContact CG2-CB 3.9Å; V561-A565 HydrophobicContact CG2-CB 3.78Å; N562-A565 PolarHBondContact O-N 3.38Å; N562-A565 WeakPolarHBondContact OD1-CA 3.37Å; N562-A565 PolarHBondContact OD1-N 3.16Å; N562-A565 VanDerWaalsContact OD1-N 3.13Å; A565-I582 VanDerWaalsContact O-CD1 3.28Å; A565-I582 WeakPolarHBondContact O-CD1 3.39Å
566T87.5Confident90.3Very high13 Ų1325.1 Ų25.18%0.0813%0.128CC..SBendtrans-101.2-18.7173.960.80000113.2N562 N564 I582 V593N562-T566 PolarHBondContact ND2-OG1 3.49Å; N562-T566 PolarHBondContact OD1-N 3.33Å; N564-T566 VanDerWaalsContact C-N 3.32Å; N564-T566 HydrophobicContact CB-CG2 4.47Å; N564-T566 WeakPolarHBondContact ND2-CG2 3.31Å; N564-T566 PolarHBondContact ND2-OG1 3.34Å; N564-T566 PolarHBondContact O-N 2.65Å; N564-T566 PolarHBondContact OD1-N 3.13Å; N564-T566 PolarHBondContact OD1-OG1 3.47Å; T566-I582 PolarHBondContact O-N 3.47Å; T566-V593 WeakPolarHBondContact OG1-CG2 3.46Å
567C90.2Very high90.4Very high0 Ų025 Ų250%013%0.127CC..EExtended strand (participates in β ladder)trans-132.7134.7-179-171.50000110.7N562 H580 F595N562-C567 HydrophobicContact CB-CB 4.38Å; N562-C567 PolarHBondContact N-O 2.9Å; N562-C567 VanDerWaalsContact N-O 3.07Å; N562-C567 PolarHBondContact ND2-N 3.21Å; N562-C567 PolarHBondContact OD1-N 2.76Å; N562-C567 PolarHBondContact OD1-O 3.37Å; C567-H580 CarbonylContact C-O 3.54Å; C567-H580 WeakPolarHBondContact CA-O 3.4Å; C567-F595 HydrophobicContact CB-CD2 4.41Å; C567-F595 HydrophobicContact CB-CE2 3.9Å
568L92.1Very high90.6Very high0 Ų024.6 Ų24.60%013%0.125CC..EExtended strand (participates in β ladder)trans-111.2120.9176.9-173.375.9000109.2L527 I535 F549 V551 I559 Y560 V570 L579 H580 I582L527-L568 HydrophobicContact CD2-CD1 3.71Å; I535-L568 HydrophobicContact CD1-CD2 4.19Å; I535-L568 HydrophobicContact CG1-CD2 3.9Å; I535-L568 HydrophobicContact CG2-CD2 4.45Å; F549-L568 HydrophobicContact CE2-CD2 4.18Å; F549-L568 HydrophobicContact CZ-CD2 3.92Å; V551-L568 HydrophobicContact CG2-CD2 4.04Å; I559-L568 HydrophobicContact CB-CD1 4.13Å; Y560-L568 CarbonylContact O-C 3.55Å; Y560-L568 WeakPolarHBondContact O-CA 3.49Å; L568-V570 HydrophobicContact CD2-CG2 3.54Å; L568-V570 HydrophobicContact CG-CG2 3.73Å; L568-L579 CarbonylContact O-C 3.56Å; L568-L579 WeakPolarHBondContact O-CA 3.38Å; L568-H580 HydrophobicContact CB-CB 4.46Å; L568-H580 PolarHBondContact N-O 3.35Å; L568-H580 PolarHBondContact O-N 3.28Å; L568-I582 HydrophobicContact CB-CD1 4.26Å; L568-I582 HydrophobicContact CB-CG1 4.08Å
569G93.4Very high90.6Very high0 Ų022.5 Ų22.50%012%0.117CC..EExtended strand (participates in β ladder)trans-92.4126.3167.300000110.6I559 Y560 R578I559-G569 CarbonylContact C-O 3.52Å; I559-G569 WeakPolarHBondContact CA-O 3.31Å; Y560-G569 PolarHBondContact N-O 3.39Å; Y560-G569 PolarHBondContact O-N 3.36Å; G569-R578 WeakPolarHBondContact CA-O 3.42Å
570V94.4Very high90.4Very high8 Ų824.1 Ų24.15%0.04813%0.125CC..EExtended strand (participates in β ladder)trans-122.6125.8-177.9179.40000110.1V551 P556 I559 L568 F577 R578V551-V570 HydrophobicContact CG1-CB 4.03Å; V551-V570 HydrophobicContact CG1-CG1 4.16Å; V551-V570 HydrophobicContact CG1-CG2 3.72Å; P556-V570 HydrophobicContact CB-CG1 3.85Å; P556-V570 HydrophobicContact CG-CG1 4.37Å; I559-V570 HydrophobicContact CB-CG2 4.47Å; I559-V570 HydrophobicContact CG2-CB 4.38Å; I559-V570 HydrophobicContact CG2-CG1 4.15Å; I559-V570 HydrophobicContact CG2-CG2 3.75Å; L568-V570 HydrophobicContact CD2-CG2 3.54Å; L568-V570 HydrophobicContact CG-CG2 3.73Å; V570-F577 CarbonylContact O-C 3.6Å; V570-F577 VanDerWaalsContact O-CA 3.31Å; V570-F577 WeakPolarHBondContact O-CA 3.47Å; V570-F577 WeakPolarHBondContact O-CD2 3.42Å; V570-R578 PolarHBondContact N-O 3.01Å; V570-R578 PolarHBondContact O-N 3.16Å
571I93.5Very high90.1Very high1 Ų125.9 Ų25.91%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-100.8122167.5-54.9176.6000106.9Y557 R558 Y560 I576 F577 V606 V609Y557-I571 WeakPolarHBondContact CA-O 3.5Å; Y557-I571 WeakPolarHBondContact CB-O 3.44Å; Y557-I571 HydrophobicContact CD1-CG2 4.37Å; Y557-I571 PolarHBondContact N-O 2.77Å; R558-I571 HydrophobicContact CB-CB 4.45Å; R558-I571 PolarHBondContact N-O 3.15Å; R558-I571 PolarHBondContact O-N 3.2Å; Y560-I571 HydrophobicContact CE2-CD1 3.74Å; Y560-I571 HydrophobicContact CE2-CG1 4.17Å; I571-I576 WeakPolarHBondContact CA-O 3.45Å; I571-F577 HydrophobicContact CG1-CB 4.38Å; I571-F577 HydrophobicContact CG1-CD2 3.78Å; I571-V606 HydrophobicContact CD1-CG1 4.05Å; I571-V606 HydrophobicContact CG1-CG1 4.4Å; I571-V606 WeakPolarHBondContact CG2-O 3.3Å; I571-V609 HydrophobicContact CD1-CG2 3.99Å; I571-V609 HydrophobicContact CG1-CG2 4.33Å
572D90.2Very high89.7Confident3 Ų325.5 Ų25.52%0.01613%0.133CC..EExtended strand (participates in β ladder)trans-83.6170.3172.666.926.9000112.6N554 C555 S574 G575 I576 R578N554-D572 HydrophobicContact CB-CB 3.85Å; N554-D572 PolarHBondContact ND2-OD2 3.41Å; C555-D572 WeakPolarHBondContact O-CA 3.17Å; D572-S574 PolarHBondContact O-N 3.13Å; D572-S574 VanDerWaalsContact O-N 3.09Å; D572-S574 WeakPolarHBondContact OD1-CA 3.02Å; D572-S574 WeakPolarHBondContact OD1-CB 3.45Å; D572-S574 PolarHBondContact OD1-N 3.38Å; D572-S574 PolarHBondContact OD1-OG 2.8Å; D572-G575 PolarHBondContact O-N 2.69Å; D572-G575 PolarHBondContact OD1-N 3.05Å; D572-I576 PolarHBondContact N-O 2.92Å; D572-I576 WeakPolarHBondContact OD1-CB 3.49Å; D572-I576 PolarHBondContact OD1-N 3.39Å; D572-R578 IonicContact OD2-CZ 2.68Å; D572-R578 IonicContact OD2-NH1 3.07Å; D572-R578 PolarHBondContact OD2-NH1 2.8Å
573E85.1Confident89.1Confident136 Ų13628.5 Ų28.564%0.63615%0.153SC*.THydrogen-bonded Turntrans-56.6-22.3178.664.1179.2-179.700114.5C555 G575C555-E573 HydrophobicContact CB-CG 4.41Å; C555-E573 PolarHBondContact O-N 3.49Å; E573-G575 VanDerWaalsContact C-N 3.29Å
574S83.1Confident88.1Confident66 Ų6629.2 Ų29.246%0.46216%0.155SC..THydrogen-bonded Turntrans-85.3-1.2177.376.50000113.4D572 I576D572-S574 PolarHBondContact O-N 3.13Å; D572-S574 VanDerWaalsContact O-N 3.09Å; D572-S574 WeakPolarHBondContact OD1-CA 3.02Å; D572-S574 WeakPolarHBondContact OD1-CB 3.45Å; D572-S574 PolarHBondContact OD1-N 3.38Å; D572-S574 PolarHBondContact OD1-OG 2.8Å; S574-I576 WeakPolarHBondContact OG-CD1 3.44Å; S574-I576 WeakPolarHBondContact OG-CG1 3.47Å
575G86.8Confident86.6Confident2 Ų234.3 Ų34.32%0.02118%0.182CC..SBendtrans77.820.9-177.300000113.5D572 E573 K604 D605 V606D572-G575 PolarHBondContact O-N 2.69Å; D572-G575 PolarHBondContact OD1-N 3.05Å; E573-G575 VanDerWaalsContact C-N 3.29Å; G575-K604 CarbonylContact O-C 3.47Å; G575-D605 PolarHBondContact O-N 3.5Å; G575-V606 PolarHBondContact O-N 3.42Å
576I91.5Very high84.6Confident31 Ų3137.1 Ų37.116%0.15920%0.202CC..  trans-89.9123.9174.5-61.7172.7000108.8I571 D572 S574 R578 I602 R603 K604I571-I576 WeakPolarHBondContact CA-O 3.45Å; D572-I576 PolarHBondContact N-O 2.92Å; D572-I576 WeakPolarHBondContact OD1-CB 3.49Å; D572-I576 PolarHBondContact OD1-N 3.39Å; S574-I576 WeakPolarHBondContact OG-CD1 3.44Å; S574-I576 WeakPolarHBondContact OG-CG1 3.47Å; I576-R578 HydrophobicContact CG2-CG 4.28Å; I576-I602 HydrophobicContact CG2-CG2 3.48Å; I576-I602 VanDerWaalsContact CG2-CG2 3.48Å; I576-R603 CarbonylContact C-O 3.53Å; I576-R603 WeakPolarHBondContact CA-O 3.18Å; I576-K604 HydrophobicContact CG1-CG 4.43Å
577F93.9Very high82.5Confident0 Ų044 Ų440%024%0.238CC..EExtended strand (participates in β ladder)trans-97.2130175.2177.4-113.7000111.2V570 I571 L579 F601 R603 V606 V609 F619 I621V570-F577 CarbonylContact O-C 3.6Å; V570-F577 VanDerWaalsContact O-CA 3.31Å; V570-F577 WeakPolarHBondContact O-CA 3.47Å; V570-F577 WeakPolarHBondContact O-CD2 3.42Å; I571-F577 HydrophobicContact CG1-CB 4.38Å; I571-F577 HydrophobicContact CG1-CD2 3.78Å; F577-L579 HydrophobicContact CE1-CD2 3.93Å; F577-L579 HydrophobicContact CE1-CG 4.1Å; F577-L579 HydrophobicContact CE2-CD2 4.39Å; F577-L579 HydrophobicContact CZ-CD2 3.5Å; F577-L579 HydrophobicContact CZ-CG 4.14Å; F577-F601 AromaticContact CD1-CE1 3.8Å; F577-F601 HydrophobicContact CD1-CE1 3.8Å; F577-F601 AromaticContact CE1-CE1 3.74Å; F577-F601 HydrophobicContact CE1-CE1 3.74Å; F577-R603 HydrophobicContact CB-CB 4.31Å; F577-R603 HydrophobicContact CD1-CB 4.5Å; F577-R603 PolarHBondContact N-O 2.95Å; F577-R603 PolarHBondContact O-N 3.29Å; F577-V606 HydrophobicContact CB-CB 3.73Å; F577-V606 HydrophobicContact CB-CG1 3.87Å; F577-V606 HydrophobicContact CB-CG2 3.77Å; F577-V606 HydrophobicContact CG-CG1 4.26Å; F577-V609 HydrophobicContact CD2-CG2 3.84Å; F577-V609 HydrophobicContact CE2-CB 4.38Å; F577-V609 HydrophobicContact CE2-CG1 4.07Å; F577-V609 HydrophobicContact CE2-CG2 3.62Å; F577-V609 HydrophobicContact CG-CG2 4.39Å; F577-V609 HydrophobicContact CZ-CG1 3.94Å; F577-V609 HydrophobicContact CZ-CG2 4.01Å; F577-F619 HydrophobicContact CE1-CD2 4.39Å; F577-F619 AromaticContact CE1-CE2 3.85Å; F577-F619 HydrophobicContact CE1-CE2 3.85Å; F577-F619 HydrophobicContact CZ-CE2 4.43Å; F577-I621 HydrophobicContact CD1-CG2 4.16Å; F577-I621 HydrophobicContact CE1-CG2 3.85Å; F577-I621 HydrophobicContact CZ-CG2 4.37Å
578R93.1Very high80.2Confident67 Ų6748.5 Ų48.525%0.25327%0.269SS..EExtended strand (participates in β ladder)trans-130.2156175.4-61.3-174.4-177.286.8-3.9110.3G569 V570 D572 I576 H580 I602G569-R578 WeakPolarHBondContact CA-O 3.42Å; V570-R578 PolarHBondContact N-O 3.01Å; V570-R578 PolarHBondContact O-N 3.16Å; D572-R578 IonicContact OD2-CZ 2.68Å; D572-R578 IonicContact OD2-NH1 3.07Å; D572-R578 PolarHBondContact OD2-NH1 2.8Å; I576-R578 HydrophobicContact CG2-CG 4.28Å; R578-H580 VanDerWaalsContact CB-NE2 3.34Å; R578-H580 WeakPolarHBondContact CB-NE2 3.46Å; R578-I602 HydrophobicContact CG-CG1 4.39Å
579L91.8Very high77.9Confident2 Ų252.4 Ų52.41%0.0129%0.29CS..EExtended strand (participates in β ladder)trans-112.5139.6173.9-67.8172.5000109.5L568 F577 F595 I598 F601 F611 F619 L633L568-L579 CarbonylContact O-C 3.56Å; L568-L579 WeakPolarHBondContact O-CA 3.38Å; F577-L579 HydrophobicContact CE1-CD2 3.93Å; F577-L579 HydrophobicContact CE1-CG 4.1Å; F577-L579 HydrophobicContact CE2-CD2 4.39Å; F577-L579 HydrophobicContact CZ-CD2 3.5Å; F577-L579 HydrophobicContact CZ-CG 4.14Å; L579-F595 HydrophobicContact CD1-CE1 4.45Å; L579-I598 HydrophobicContact CB-CD1 3.68Å; L579-I598 HydrophobicContact CB-CG1 3.58Å; L579-I598 HydrophobicContact CD1-CG1 4.5Å; L579-F601 HydrophobicContact CB-CD1 4.45Å; L579-F601 HydrophobicContact CD1-CD1 3.7Å; L579-F601 HydrophobicContact CD1-CE1 3.91Å; L579-F601 HydrophobicContact CD1-CG 4.26Å; L579-F601 HydrophobicContact CG-CD1 3.84Å; L579-F601 HydrophobicContact CG-CE1 4.12Å; L579-F611 HydrophobicContact CD2-CE1 4.39Å; L579-F611 HydrophobicContact CD2-CZ 3.95Å; L579-F619 HydrophobicContact CD1-CE1 3.84Å; L579-F619 HydrophobicContact CD1-CZ 3.7Å; L579-L633 HydrophobicContact CD1-CD2 3.98Å
580H89.5Confident75.5Confident40 Ų4058.8 Ų58.819%0.18532%0.323CS..EExtended strand (participates in β ladder)trans-134134-178.6-63.9-92.1000109.7V551 C567 L568 R578V551-H580 WeakPolarHBondContact CG1-CD2 3.43Å; V551-H580 VanDerWaalsContact CG1-NE2 3.32Å; V551-H580 WeakPolarHBondContact CG1-NE2 3.3Å; V551-H580 PolarHBondContact O-CE1 3.34Å; V551-H580 VanDerWaalsContact O-CE1 3.27Å; C567-H580 CarbonylContact C-O 3.54Å; C567-H580 WeakPolarHBondContact CA-O 3.4Å; L568-H580 HydrophobicContact CB-CB 4.46Å; L568-H580 PolarHBondContact N-O 3.35Å; L568-H580 PolarHBondContact O-N 3.28Å; R578-H580 VanDerWaalsContact CB-NE2 3.34Å; R578-H580 WeakPolarHBondContact CB-NE2 3.46Å
581L87.9Confident73.3Confident72 Ų7263.4 Ų63.438%0.37736%0.356SS..EExtended strand (participates in β ladder)trans-76.9132.5172.6-66.7172.6000109.4P583 F595 I598L581-P583 WeakPolarHBondContact O-CD 3.3Å; L581-F595 HydrophobicContact CD2-CD2 4.45Å; L581-I598 HydrophobicContact CD1-CG2 4.42Å; L581-I598 HydrophobicContact CD2-CD1 3.97Å; L581-I598 HydrophobicContact CG-CD1 3.89Å; L581-I598 HydrophobicContact CG-CG2 4.35Å
582I86.5Confident71.3Confident10 Ų1065.3 Ų65.35%0.05137%0.369CS..PPolyproline II helixtrans-77.1125.4176.3-64.8168.8000107.7L527 I537 F549 V561 A565 T566 L568 D584L527-I582 HydrophobicContact CD2-CD1 3.96Å; I537-I582 HydrophobicContact CD1-CG2 3.74Å; F549-I582 HydrophobicContact CE1-CG2 4.42Å; F549-I582 HydrophobicContact CZ-CG1 4.16Å; V561-I582 HydrophobicContact CG2-CD1 4.07Å; A565-I582 VanDerWaalsContact O-CD1 3.28Å; A565-I582 WeakPolarHBondContact O-CD1 3.39Å; T566-I582 PolarHBondContact O-N 3.47Å; L568-I582 HydrophobicContact CB-CD1 4.26Å; L568-I582 HydrophobicContact CB-CG1 4.08Å; I582-D584 PolarHBondContact O-N 3.18Å
583P79.3Confident69.6Low65 Ų6566.3 Ų66.342%0.42238%0.375SS..PPolyproline II helixtrans-64.1127.3178.7-20.131.9000111.5M547 F549 L581M547-P583 VanDerWaalsContact CE-O 3.31Å; M547-P583 WeakPolarHBondContact CE-O 3.46Å; F549-P583 HydrophobicContact CB-CG 4.06Å; F549-P583 HydrophobicContact CG-CG 4.16Å; L581-P583 WeakPolarHBondContact O-CD 3.3Å
584D67.3Low68.3Low47 Ų4768.3 Ų68.325%0.25138%0.382SS..PPolyproline II helixtrans-97.5141172.5-79.7-33.5000111.2I582 S586 L589I582-D584 PolarHBondContact O-N 3.18Å; D584-S586 PolarHBondContact O-N 2.95Å; D584-L589 WeakPolarHBondContact OD2-CB 3.44Å
585N54.2Low67.1Low156 Ų15665.9 Ų65.983%0.83436%0.363SS*.SBendtrans-68.4-7.2170.1-80.2-16.8000113
586S46.4Very low65.7Low61 Ų6173.7 Ų73.743%0.42740%0.399SS..SBendtrans-123.3118.7179.857.40000111D584 S588D584-S586 PolarHBondContact O-N 2.95Å; S586-S588 PolarHBondContact O-N 3.16Å
587N42Very low64.3Low158 Ų15878 Ų7885%0.84542%0.422SS*.THydrogen-bonded Turntrans-58.38.8177.8-79.5-17.9000115.9
588S43.3Very low63.5Low93 Ų9378.5 Ų78.565%0.6543%0.425SS*.THydrogen-bonded Turntrans-97.5-16.5-167.7166.80000115S586S586-S588 PolarHBondContact O-N 3.16Å
589L43.6Very low62.4Low83 Ų8382 Ų8244%0.43545%0.449SS..SBendtrans-107-5.4-170.9-76.1166000115.4D584 S591 S592D584-L589 WeakPolarHBondContact OD2-CB 3.44Å; L589-S591 PolarHBondContact O-N 3.18Å; L589-S592 PolarHBondContact O-N 3.29Å; L589-S592 PolarHBondContact O-OG 3.01Å
590L42.6Very low61.8Low134 Ų13488.1 Ų88.170%0.70248%0.481SS*.THydrogen-bonded Turntrans-55.5-11.5170.6-81.8145.9000113.6
591S47.2Very low61.8Low104 Ų10487.2 Ų87.273%0.72748%0.477SS*.THydrogen-bonded Turntrans-84.7-11.8175.859.10000114.9L589L589-S591 PolarHBondContact O-N 3.18Å
592S51.7Low61.9Low42 Ų4287.8 Ų87.829%0.29448%0.479SS..SBendtrans-85.1-17.4-168.761.70000114.8L589L589-S592 PolarHBondContact O-N 3.29Å; L589-S592 PolarHBondContact O-OG 3.01Å
593V55.3Low62.3Low24 Ų2489.8 Ų89.815%0.14549%0.487CS..  trans-121.7124.4-173.2-168.90000111.1T566 F595 N617T566-V593 WeakPolarHBondContact OG1-CG2 3.46Å; V593-F595 HydrophobicContact CB-CD2 4.3Å; V593-F595 HydrophobicContact CG1-CB 4.29Å; V593-F595 HydrophobicContact CG1-CD2 2.95Å; V593-F595 HydrophobicContact CG1-CE2 3.12Å; V593-F595 HydrophobicContact CG1-CG 3.7Å; V593-F595 HydrophobicContact CG1-CZ 4.03Å; V593-F595 PolarHBondContact O-N 3.17Å; V593-F595 VanDerWaalsContact O-N 3.16Å; V593-N617 VanDerWaalsContact CA-OD1 3.3Å; V593-N617 WeakPolarHBondContact CA-OD1 3.31Å; V593-N617 WeakPolarHBondContact CG1-OD1 3.24Å
594K57.3Low62.9Low178 Ų17893.1 Ų93.177%0.77449%0.494SS*.  trans-85.634.3-177.8-66.6-175-179.8177.50113.4Q596 N617K594-Q596 PolarHBondContact O-N 3.17Å; K594-N617 PolarHBondContact N-OD1 3.38Å
595F58.5Low63.9Low14 Ų1493 Ų936%0.06149%0.494CS..  trans-86.877.2174.9-60.9-49.6000110.6C567 L579 L581 V593 I598 F619 G632 L633C567-F595 HydrophobicContact CB-CD2 4.41Å; C567-F595 HydrophobicContact CB-CE2 3.9Å; L579-F595 HydrophobicContact CD1-CE1 4.45Å; L581-F595 HydrophobicContact CD2-CD2 4.45Å; V593-F595 HydrophobicContact CB-CD2 4.3Å; V593-F595 HydrophobicContact CG1-CB 4.29Å; V593-F595 HydrophobicContact CG1-CD2 2.95Å; V593-F595 HydrophobicContact CG1-CE2 3.12Å; V593-F595 HydrophobicContact CG1-CG 3.7Å; V593-F595 HydrophobicContact CG1-CZ 4.03Å; V593-F595 PolarHBondContact O-N 3.17Å; V593-F595 VanDerWaalsContact O-N 3.16Å; F595-I598 HydrophobicContact CB-CB 4.15Å; F595-I598 HydrophobicContact CB-CD1 3.8Å; F595-I598 HydrophobicContact CB-CG1 4.05Å; F595-I598 HydrophobicContact CD2-CD1 3.79Å; F595-I598 HydrophobicContact CG-CD1 4.01Å; F595-I598 HydrophobicContact CG-CG1 4.46Å; F595-F619 AromaticContact CE1-CE1 3.99Å; F595-F619 HydrophobicContact CE1-CE1 3.99Å; F595-F619 HydrophobicContact CZ-CD1 4.41Å; F595-F619 HydrophobicContact CZ-CE1 4.24Å; F595-G632 WeakPolarHBondContact CE1-O 3.36Å; F595-L633 HydrophobicContact CD1-CD2 3.69Å; F595-L633 HydrophobicContact CD1-CG 4.09Å; F595-L633 HydrophobicContact CE1-CD2 4.32Å; F595-L633 HydrophobicContact CG-CD2 4.44Å
596Q57.3Low65.7Low167 Ų16785.6 Ų85.678%0.7845%0.454SS*.THydrogen-bonded Turntrans-70.8135.4166.4-66.2-178.6-4.500109.3K594 L633K594-Q596 PolarHBondContact O-N 3.17Å; Q596-L633 WeakPolarHBondContact O-CD1 3.38Å
597N62.3Low67.8Low121 Ų12183.2 Ų83.265%0.64744%0.436SS*.THydrogen-bonded Turntrans63.338.1-179.4-56.5-30.9000115.6D599 N600N597-D599 PolarHBondContact O-N 2.91Å; N597-N600 PolarHBondContact O-N 3.25Å
598I77.3Confident70.2Confident10 Ų1076.2 Ų76.25%0.05140%0.398CS..G310 helixtrans-57-34179.9-152.8171.4000113L579 L581 F595 N600 F601L579-I598 HydrophobicContact CB-CD1 3.68Å; L579-I598 HydrophobicContact CB-CG1 3.58Å; L579-I598 HydrophobicContact CD1-CG1 4.5Å; L581-I598 HydrophobicContact CD1-CG2 4.42Å; L581-I598 HydrophobicContact CD2-CD1 3.97Å; L581-I598 HydrophobicContact CG-CD1 3.89Å; L581-I598 HydrophobicContact CG-CG2 4.35Å; F595-I598 HydrophobicContact CB-CB 4.15Å; F595-I598 HydrophobicContact CB-CD1 3.8Å; F595-I598 HydrophobicContact CB-CG1 4.05Å; F595-I598 HydrophobicContact CD2-CD1 3.79Å; F595-I598 HydrophobicContact CG-CD1 4.01Å; F595-I598 HydrophobicContact CG-CG1 4.46Å; I598-N600 PolarHBondContact O-N 3.5Å; I598-N600 VanDerWaalsContact O-N 3.08Å; I598-F601 WeakPolarHBondContact O-CB 3.4Å; I598-F601 PolarHBondContact O-N 3.07Å
599D69.2Low72.7Confident141 Ų14171.9 Ų71.975%0.75437%0.368SS*.G310 helixtrans-60.9-22.7-177.7-57-31.1000113.5N597N597-D599 PolarHBondContact O-N 2.91Å
600N79.9Confident75.1Confident130 Ų13070.7 Ų70.770%0.69536%0.359SS*.G310 helixtrans-94.3-5.5179.1-67.7-28.1000113.2N597 I598 I602N597-N600 PolarHBondContact O-N 3.25Å; I598-N600 PolarHBondContact O-N 3.5Å; I598-N600 VanDerWaalsContact O-N 3.08Å; N600-I602 PolarHBondContact O-N 3.08Å
601F88.8Confident77.5Confident21 Ų2165 Ų659%0.09233%0.329CS..  trans-79.8107.1-177.1-175-94.5000110.9F577 L579 I598 R603 F619 F630 L633F577-F601 AromaticContact CD1-CE1 3.8Å; F577-F601 HydrophobicContact CD1-CE1 3.8Å; F577-F601 AromaticContact CE1-CE1 3.74Å; F577-F601 HydrophobicContact CE1-CE1 3.74Å; L579-F601 HydrophobicContact CB-CD1 4.45Å; L579-F601 HydrophobicContact CD1-CD1 3.7Å; L579-F601 HydrophobicContact CD1-CE1 3.91Å; L579-F601 HydrophobicContact CD1-CG 4.26Å; L579-F601 HydrophobicContact CG-CD1 3.84Å; L579-F601 HydrophobicContact CG-CE1 4.12Å; I598-F601 WeakPolarHBondContact O-CB 3.4Å; I598-F601 PolarHBondContact O-N 3.07Å; F601-R603 HydrophobicContact CE1-CG 3.87Å; F601-R603 HydrophobicContact CE2-CG 4.35Å; F601-R603 HydrophobicContact CZ-CG 3.66Å; F601-F619 HydrophobicContact CE1-CE2 4.38Å; F601-F619 HydrophobicContact CE1-CZ 4.15Å; F601-F619 HydrophobicContact CZ-CE2 4.19Å; F601-F619 AromaticContact CZ-CZ 3.89Å; F601-F619 HydrophobicContact CZ-CZ 3.89Å; F601-F630 AromaticContact CE2-CD1 3.98Å; F601-F630 HydrophobicContact CE2-CD1 3.98Å; F601-F630 AromaticContact CE2-CE1 3.52Å; F601-F630 HydrophobicContact CE2-CE1 3.52Å; F601-F630 HydrophobicContact CE2-CZ 4.09Å; F601-F630 HydrophobicContact CZ-CD1 4.09Å; F601-F630 AromaticContact CZ-CE1 3.68Å; F601-F630 HydrophobicContact CZ-CE1 3.68Å; F601-F630 HydrophobicContact CZ-CE2 4.35Å; F601-F630 AromaticContact CZ-CZ 3.83Å; F601-F630 HydrophobicContact CZ-CZ 3.83Å; F601-L633 HydrophobicContact CB-CD2 4.06Å; F601-L633 HydrophobicContact CD2-CB 4.41Å; F601-L633 HydrophobicContact CD2-CD2 3.71Å; F601-L633 HydrophobicContact CD2-CG 4.5Å; F601-L633 HydrophobicContact CE2-CD2 4.3Å; F601-L633 HydrophobicContact CG-CD2 3.89Å
602I91.1Very high79.7Confident84 Ų8460.1 Ų60.143%0.43129%0.294SS..EExtended strand (participates in β ladder)trans-133.3127.1-179.9-59.3-179.9000108.9I576 R578 N600I576-I602 HydrophobicContact CG2-CG2 3.48Å; I576-I602 VanDerWaalsContact CG2-CG2 3.48Å; R578-I602 HydrophobicContact CG-CG1 4.39Å; N600-I602 PolarHBondContact O-N 3.08Å
603R93.4Very high81.5Confident53 Ų5361.9 Ų61.920%0.230%0.298CS..EExtended strand (participates in β ladder)trans-119.9141.8170.4-60.2-62.5-63.6-148.1-5.9109.3I576 F577 F601 V606 I621 E623I576-R603 CarbonylContact C-O 3.53Å; I576-R603 WeakPolarHBondContact CA-O 3.18Å; F577-R603 HydrophobicContact CB-CB 4.31Å; F577-R603 HydrophobicContact CD1-CB 4.5Å; F577-R603 PolarHBondContact N-O 2.95Å; F577-R603 PolarHBondContact O-N 3.29Å; F601-R603 HydrophobicContact CE1-CG 3.87Å; F601-R603 HydrophobicContact CE2-CG 4.35Å; F601-R603 HydrophobicContact CZ-CG 3.66Å; R603-V606 HydrophobicContact CB-CG2 3.61Å; R603-I621 HydrophobicContact CB-CD1 4.04Å; R603-I621 HydrophobicContact CG-CD1 3.76Å; R603-E623 IonicContact CZ-OE2 3.45Å; R603-E623 IonicContact NE-OE2 3.3Å; R603-E623 PolarHBondContact NE-OE2 2.89Å; R603-E623 IonicContact NH2-OE1 2.89Å; R603-E623 IonicContact NH2-OE2 2.84Å; R603-E623 PolarHBondContact NH2-OE2 2.63Å
604K91.3Very high82.9Confident135 Ų13564.3 Ų64.359%0.58731%0.31SS*.SBendtrans-108.3155.9-178.1-62.2-173.9178-175.30109.8G575 I576 V606 E623G575-K604 CarbonylContact O-C 3.47Å; I576-K604 HydrophobicContact CG1-CG 4.43Å; K604-V606 PolarHBondContact O-N 3.39Å; K604-E623 VanDerWaalsContact O-CG 3.26Å; K604-E623 WeakPolarHBondContact O-CG 3.32Å
605D89.1Confident84.3Confident45 Ų4558 Ų5824%0.24129%0.285CS..SBendtrans59.433.4178.1-52.3-53.1000114.1F2 G575 E623 K624F2-D605 HydrophobicContact CE1-CB 4.45Å; F2-D605 HydrophobicContact CZ-CB 3.93Å; G575-D605 PolarHBondContact O-N 3.5Å; D605-E623 WeakPolarHBondContact O-CA 3.35Å; D605-K624 HydrophobicContact CB-CD 4.41Å; D605-K624 HydrophobicContact CB-CG 3.76Å; D605-K624 PolarHBondContact O-N 3.31Å; D605-K624 VanDerWaalsContact O-N 3.08Å; D605-K624 WeakPolarHBondContact OD2-CE 3.24Å; D605-K624 IonicContact OD2-NZ 3.04Å; D605-K624 PolarHBondContact OD2-NZ 3.19Å
606V92.3Very high85.7Confident0 Ų058.4 Ų58.40%029%0.289CS..EExtended strand (participates in β ladder)trans-90.7133178.9-179.90000109.7I571 G575 F577 R603 K604 V609 I621 M622 E623I571-V606 HydrophobicContact CD1-CG1 4.05Å; I571-V606 HydrophobicContact CG1-CG1 4.4Å; I571-V606 WeakPolarHBondContact CG2-O 3.3Å; G575-V606 PolarHBondContact O-N 3.42Å; F577-V606 HydrophobicContact CB-CB 3.73Å; F577-V606 HydrophobicContact CB-CG1 3.87Å; F577-V606 HydrophobicContact CB-CG2 3.77Å; F577-V606 HydrophobicContact CG-CG1 4.26Å; R603-V606 HydrophobicContact CB-CG2 3.61Å; K604-V606 PolarHBondContact O-N 3.39Å; V606-V609 HydrophobicContact CG1-CG2 3.92Å; V606-I621 HydrophobicContact CG1-CB 4.13Å; V606-I621 HydrophobicContact CG2-CD1 4.04Å; V606-M622 VanDerWaalsContact CA-O 3.3Å; V606-M622 WeakPolarHBondContact CA-O 3.45Å; V606-E623 HydrophobicContact CG2-CB 4.32Å
607W90.4Very high87.2Confident11 Ų1151.5 Ų51.54%0.04226%0.258CS..EExtended strand (participates in β ladder)trans-127.8-12.5-176.258.6-93.4000114.7F2 M622 K624 T643 Y644F2-W607 HydrophobicContact CB-CB 3.87Å; F2-W607 HydrophobicContact CD1-CB 3.54Å; F2-W607 AromaticContact CD1-CD1 3.77Å; F2-W607 AromaticContact CD1-CG 3.87Å; F2-W607 HydrophobicContact CD1-CG 3.87Å; F2-W607 HydrophobicContact CD2-CB 4.27Å; F2-W607 HydrophobicContact CE1-CB 4.18Å; F2-W607 AromaticContact CE1-CD1 3.93Å; F2-W607 HydrophobicContact CE1-CG 4.39Å; F2-W607 HydrophobicContact CG-CB 3.62Å; F2-W607 HydrophobicContact CG-CG 4.4Å; W607-M622 HydrophobicContact CD2-CB 3.94Å; W607-M622 VanDerWaalsContact CE2-CB 3.44Å; W607-M622 HydrophobicContact CE3-CB 4.39Å; W607-M622 HydrophobicContact CH2-CB 3.88Å; W607-M622 HydrophobicContact CH2-CE 4.11Å; W607-M622 HydrophobicContact CH2-CG 3.82Å; W607-M622 HydrophobicContact CZ2-CB 3.44Å; W607-M622 VanDerWaalsContact CZ2-CB 3.44Å; W607-M622 HydrophobicContact CZ2-CE 3.59Å; W607-M622 HydrophobicContact CZ2-CG 3.79Å; W607-M622 HydrophobicContact CZ3-CB 4.35Å; W607-M622 HydrophobicContact CZ3-CG 4.41Å; W607-M622 PolarHBondContact N-O 2.78Å; W607-K624 PolarHBondContact NE1-O 3.04Å; W607-T643 VanDerWaalsContact CH2-O 3.29Å; W607-T643 WeakPolarHBondContact CH2-O 3.33Å; W607-Y644 HydrophobicContact CE3-CE1 4.48Å; W607-Y644 HydrophobicContact CH2-CD1 4.48Å; W607-Y644 AromaticContact CZ3-CD1 3.74Å; W607-Y644 HydrophobicContact CZ3-CD1 3.74Å; W607-Y644 AromaticContact CZ3-CE1 3.84Å; W607-Y644 HydrophobicContact CZ3-CE1 3.84Å; W607-Y644 HydrophobicContact CZ3-CG 4.23Å
608D92.5Very high88.6Confident11 Ų1145.8 Ų45.86%0.05923%0.227CC..EExtended strand (participates in β ladder)trans-150.2147.8176.3-161.214.4000111.2Y560 I621 M622 L645Y560-D608 PolarHBondContact OH-OD1 3.35Å; D608-I621 CarbonylContact O-C 3.52Å; D608-I621 WeakPolarHBondContact O-CA 3.47Å; D608-M622 HydrophobicContact CB-CB 3.94Å; D608-M622 HydrophobicContact CB-CG 3.98Å; D608-M622 PolarHBondContact O-N 3.4Å; D608-L645 PolarHBondContact OD2-N 2.99Å
609V94.7Very high89.4Confident1 Ų145.3 Ų45.31%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-146.7138.2-176.3177.60000109.1Y560 I571 F577 V606 F611 A620 I621Y560-V609 HydrophobicContact CD1-CB 4.36Å; Y560-V609 VanDerWaalsContact CD1-O 3.25Å; Y560-V609 WeakPolarHBondContact CD1-O 3.46Å; Y560-V609 HydrophobicContact CD2-CB 3.74Å; Y560-V609 HydrophobicContact CD2-CG1 4.29Å; Y560-V609 HydrophobicContact CD2-CG2 4.27Å; Y560-V609 HydrophobicContact CE1-CB 4.41Å; Y560-V609 WeakPolarHBondContact CE1-O 3.23Å; Y560-V609 HydrophobicContact CE2-CB 3.79Å; Y560-V609 HydrophobicContact CE2-CG2 4.14Å; Y560-V609 HydrophobicContact CG-CB 4.02Å; Y560-V609 HydrophobicContact CG-CG1 4.3Å; I571-V609 HydrophobicContact CD1-CG2 3.99Å; I571-V609 HydrophobicContact CG1-CG2 4.33Å; F577-V609 HydrophobicContact CD2-CG2 3.84Å; F577-V609 HydrophobicContact CE2-CB 4.38Å; F577-V609 HydrophobicContact CE2-CG1 4.07Å; F577-V609 HydrophobicContact CE2-CG2 3.62Å; F577-V609 HydrophobicContact CG-CG2 4.39Å; F577-V609 HydrophobicContact CZ-CG1 3.94Å; F577-V609 HydrophobicContact CZ-CG2 4.01Å; V606-V609 HydrophobicContact CG1-CG2 3.92Å; V609-F611 HydrophobicContact CG1-CE2 4.4Å; V609-A620 CarbonylContact C-O 3.54Å; V609-A620 VanDerWaalsContact CA-O 3.32Å; V609-A620 WeakPolarHBondContact CA-O 3.1Å; V609-I621 HydrophobicContact CG1-CG2 4.24Å; V609-I621 HydrophobicContact CG2-CB 4.26Å; V609-I621 HydrophobicContact CG2-CG2 3.88Å
610K94.5Very high90.7Very high59 Ų5938.6 Ų38.626%0.25719%0.189SC..EExtended strand (participates in β ladder)trans-136.4121.9172.3-166.877.8-174.6-166.10109.6F619 A620 L645 Y646 F648K610-F619 CarbonylContact O-C 3.59Å; K610-F619 WeakPolarHBondContact O-CA 3.33Å; K610-A620 PolarHBondContact N-O 3.04Å; K610-A620 PolarHBondContact O-N 3.36Å; K610-L645 HydrophobicContact CB-CB 3.94Å; K610-L645 HydrophobicContact CB-CD1 4.01Å; K610-Y646 WeakPolarHBondContact CE-O 3.38Å; K610-Y646 PolarHBondContact NZ-O 3.32Å; K610-F648 HydrophobicContact CB-CB 4.36Å; K610-F648 HydrophobicContact CG-CB 3.68Å
611F94.2Very high91.4Very high14 Ų1432.4 Ų32.46%0.06116%0.156CC..EExtended strand (participates in β ladder)trans-77.7148168.4-73.5-81.6000110.2V561 N562 L579 V609 F619V561-F611 WeakPolarHBondContact O-CD2 3.4Å; N562-F611 HydrophobicContact CB-CB 4.27Å; N562-F611 HydrophobicContact CB-CD1 3.54Å; N562-F611 HydrophobicContact CB-CD2 4.35Å; N562-F611 HydrophobicContact CB-CE1 3.9Å; N562-F611 HydrophobicContact CB-CG 3.8Å; N562-F611 HydrophobicContact CB-CZ 4.44Å; L579-F611 HydrophobicContact CD2-CE1 4.39Å; L579-F611 HydrophobicContact CD2-CZ 3.95Å; V609-F611 HydrophobicContact CG1-CE2 4.4Å; F611-F619 HydrophobicContact CD1-CB 3.55Å; F611-F619 HydrophobicContact CD1-CG 4.29Å; F611-F619 HydrophobicContact CE1-CB 3.83Å; F611-F619 HydrophobicContact CE1-CD1 4.13Å; F611-F619 HydrophobicContact CE1-CG 4.08Å; F611-F619 HydrophobicContact CG-CB 4.17Å
612E93.1Very high91.7Very high1 Ų131.4 Ų31.41%0.00515%0.151CC..  trans-69.2136.1172-171.6172.5-143.800110.3C563 D614 N615 I618 F648 L651C563-E612 WeakPolarHBondContact CB-O 3.42Å; E612-D614 VanDerWaalsContact C-N 3.31Å; E612-D614 HydrophobicContact CG-CB 4.46Å; E612-D614 PolarHBondContact O-N 2.97Å; E612-N615 VanDerWaalsContact OE2-CB 3.3Å; E612-N615 WeakPolarHBondContact OE2-CB 3.47Å; E612-I618 HydrophobicContact CB-CB 4.07Å; E612-I618 HydrophobicContact CB-CG2 4.21Å; E612-I618 PolarHBondContact N-O 3.42Å; E612-I618 WeakPolarHBondContact OE2-CB 3.47Å; E612-I618 WeakPolarHBondContact OE2-CD1 3.48Å; E612-F648 CarbonylContact C-O 3.58Å; E612-F648 WeakPolarHBondContact CA-O 3.48Å; E612-F648 HydrophobicContact CB-CD1 3.96Å; E612-F648 HydrophobicContact CB-CD2 4.2Å; E612-F648 HydrophobicContact CB-CE1 4.11Å; E612-F648 HydrophobicContact CB-CE2 4.36Å; E612-F648 HydrophobicContact CB-CG 4.02Å; E612-F648 HydrophobicContact CB-CZ 4.32Å; E612-F648 HydrophobicContact CG-CD2 4.06Å; E612-F648 HydrophobicContact CG-CE2 4.22Å; E612-F648 HydrophobicContact CG-CG 4.32Å; E612-L651 VanDerWaalsContact OE1-CA 3.24Å; E612-L651 WeakPolarHBondContact OE1-CA 3.42Å; E612-L651 PolarHBondContact OE1-N 3.48Å
613E88.7Confident91.8Very high80 Ų8029 Ų2937%0.37414%0.138SC..SBendtrans-69.6-29.8180-68.4-175.8-177.200112.5C563 F648 K649C563-E613 WeakPolarHBondContact CB-O 3.24Å; E613-F648 PolarHBondContact N-O 3.27Å; E613-K649 HydrophobicContact CB-CG 4.42Å; E613-K649 IonicContact OE2-NZ 3.62Å
614D85.7Confident91.6Very high75 Ų7529.9 Ų29.940%0.40114%0.143SC..SBendtrans-93.9-24.3-173-55.7-49.3000113.2E612 K649 N650E612-D614 VanDerWaalsContact C-N 3.31Å; E612-D614 HydrophobicContact CG-CB 4.46Å; E612-D614 PolarHBondContact O-N 2.97Å; D614-K649 WeakPolarHBondContact OD2-CG 3.45Å; D614-N650 WeakPolarHBondContact OD2-CA 3.36Å; D614-N650 PolarHBondContact OD2-N 3.43Å
615N87Confident91.5Very high45 Ų4524.5 Ų24.524%0.24112%0.122CC..  trans-134.9120-176-172.6-17.3000112.1E612 N617 I618E612-N615 VanDerWaalsContact OE2-CB 3.3Å; E612-N615 WeakPolarHBondContact OE2-CB 3.47Å; N615-N617 PolarHBondContact O-N 3.18Å; N615-N617 VanDerWaalsContact O-N 3.12Å; N615-N617 WeakPolarHBondContact OD1-CB 3.41Å; N615-N617 PolarHBondContact OD1-N 3.16Å; N615-N617 PolarHBondContact OD1-ND2 3.44Å; N615-I618 HydrophobicContact CB-CB 4.5Å; N615-I618 HydrophobicContact CB-CD1 4.25Å; N615-I618 HydrophobicContact CB-CG1 4.31Å; N615-I618 VanDerWaalsContact ND2-CD1 3.34Å; N615-I618 WeakPolarHBondContact ND2-CD1 3.4Å; N615-I618 PolarHBondContact O-N 2.96Å
616P87.4Confident91.6Very high23 Ų2328.4 Ų28.415%0.14913%0.133CC..THydrogen-bonded Turntrans-70.7-10.3-176.229.2-36.9000114.8N562 C563 N564N562-P616 WeakPolarHBondContact ND2-CB 3.23Å; N562-P616 PolarHBondContact ND2-O 3.29Å; C563-P616 VanDerWaalsContact SG-N 3.41Å; N564-P616 HydrophobicContact CB-CB 4.42Å; N564-P616 VanDerWaalsContact CG-CB 3.45Å; N564-P616 WeakPolarHBondContact ND2-CB 3.12Å; N564-P616 VanDerWaalsContact OD1-CB 3.24Å; N564-P616 WeakPolarHBondContact OD1-CB 3.38Å
617N87.5Confident91.7Very high22 Ų2228.5 Ų28.512%0.11813%0.133CC..THydrogen-bonded Turntrans-95.2-9.1-177.8-62.5-71.8000113.7V593 K594 N615 G632V593-N617 VanDerWaalsContact CA-OD1 3.3Å; V593-N617 WeakPolarHBondContact CA-OD1 3.31Å; V593-N617 WeakPolarHBondContact CG1-OD1 3.24Å; K594-N617 PolarHBondContact N-OD1 3.38Å; N615-N617 PolarHBondContact O-N 3.18Å; N615-N617 VanDerWaalsContact O-N 3.12Å; N615-N617 WeakPolarHBondContact OD1-CB 3.41Å; N615-N617 PolarHBondContact OD1-N 3.16Å; N615-N617 PolarHBondContact OD1-ND2 3.44Å; N617-G632 PolarHBondContact O-N 3.05Å
618I91.9Very high91.9Very high1 Ų129.5 Ų29.51%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-111.6134.9-172.4-60.4-178.9000109.7E612 N615 F630 D631 F648 I679E612-I618 HydrophobicContact CB-CB 4.07Å; E612-I618 HydrophobicContact CB-CG2 4.21Å; E612-I618 PolarHBondContact N-O 3.42Å; E612-I618 WeakPolarHBondContact OE2-CB 3.47Å; E612-I618 WeakPolarHBondContact OE2-CD1 3.48Å; N615-I618 HydrophobicContact CB-CB 4.5Å; N615-I618 HydrophobicContact CB-CD1 4.25Å; N615-I618 HydrophobicContact CB-CG1 4.31Å; N615-I618 VanDerWaalsContact ND2-CD1 3.34Å; N615-I618 WeakPolarHBondContact ND2-CD1 3.4Å; N615-I618 PolarHBondContact O-N 2.96Å; I618-F630 VanDerWaalsContact CA-O 3.28Å; I618-F630 WeakPolarHBondContact CA-O 3.37Å; I618-F630 WeakPolarHBondContact CG2-O 3.46Å; I618-D631 HydrophobicContact CG1-CB 4.31Å; I618-F648 HydrophobicContact CG2-CE1 3.68Å; I618-F648 HydrophobicContact CG2-CZ 3.49Å; I618-F648 VanDerWaalsContact CG2-CZ 3.49Å; I618-I679 HydrophobicContact CG2-CD1 3.93Å
619F94.5Very high92Very high0 Ų029 Ų290%014%0.135CC..EExtended strand (participates in β ladder)trans-152.4156.1177.663.4-85000111.8F577 L579 F595 F601 K610 F611 I621 F630 G632F577-F619 HydrophobicContact CE1-CD2 4.39Å; F577-F619 AromaticContact CE1-CE2 3.85Å; F577-F619 HydrophobicContact CE1-CE2 3.85Å; F577-F619 HydrophobicContact CZ-CE2 4.43Å; L579-F619 HydrophobicContact CD1-CE1 3.84Å; L579-F619 HydrophobicContact CD1-CZ 3.7Å; F595-F619 AromaticContact CE1-CE1 3.99Å; F595-F619 HydrophobicContact CE1-CE1 3.99Å; F595-F619 HydrophobicContact CZ-CD1 4.41Å; F595-F619 HydrophobicContact CZ-CE1 4.24Å; F601-F619 HydrophobicContact CE1-CE2 4.38Å; F601-F619 HydrophobicContact CE1-CZ 4.15Å; F601-F619 HydrophobicContact CZ-CE2 4.19Å; F601-F619 AromaticContact CZ-CZ 3.89Å; F601-F619 HydrophobicContact CZ-CZ 3.89Å; K610-F619 CarbonylContact O-C 3.59Å; K610-F619 WeakPolarHBondContact O-CA 3.33Å; F611-F619 HydrophobicContact CD1-CB 3.55Å; F611-F619 HydrophobicContact CD1-CG 4.29Å; F611-F619 HydrophobicContact CE1-CB 3.83Å; F611-F619 HydrophobicContact CE1-CD1 4.13Å; F611-F619 HydrophobicContact CE1-CG 4.08Å; F611-F619 HydrophobicContact CG-CB 4.17Å; F619-I621 HydrophobicContact CD2-CG2 3.65Å; F619-I621 HydrophobicContact CE2-CG2 3.74Å; F619-F630 HydrophobicContact CD1-CB 3.97Å; F619-F630 HydrophobicContact CD2-CB 4.16Å; F619-F630 HydrophobicContact CD2-CD2 4.06Å; F619-F630 HydrophobicContact CD2-CG 4.39Å; F619-F630 HydrophobicContact CE1-CB 3.54Å; F619-F630 HydrophobicContact CE1-CG 4.19Å; F619-F630 HydrophobicContact CE2-CB 3.74Å; F619-F630 HydrophobicContact CE2-CD1 4.49Å; F619-F630 AromaticContact CE2-CD2 3.44Å; F619-F630 HydrophobicContact CE2-CD2 3.44Å; F619-F630 VanDerWaalsContact CE2-CD2 3.44Å; F619-F630 HydrophobicContact CE2-CE2 4.17Å; F619-F630 AromaticContact CE2-CG 3.64Å; F619-F630 HydrophobicContact CE2-CG 3.64Å; F619-F630 HydrophobicContact CG-CB 4.26Å; F619-F630 HydrophobicContact CZ-CB 3.4Å; F619-F630 HydrophobicContact CZ-CD1 4.1Å; F619-F630 AromaticContact CZ-CD2 3.85Å; F619-F630 HydrophobicContact CZ-CD2 3.85Å; F619-F630 AromaticContact CZ-CG 3.51Å; F619-F630 HydrophobicContact CZ-CG 3.51Å; F619-F630 PolarHBondContact N-O 3.15Å; F619-F630 VanDerWaalsContact N-O 3.09Å; F619-F630 PolarHBondContact O-N 3.19Å; F619-G632 WeakPolarHBondContact CE1-O 3.46Å
620A96.1Very high91.9Very high0 Ų029.1 Ų29.10%014%0.135CC..EExtended strand (participates in β ladder)trans-115.8141.4174.300000109.7V609 K610 Y628 I629 L645 F648 V653V609-A620 CarbonylContact C-O 3.54Å; V609-A620 VanDerWaalsContact CA-O 3.32Å; V609-A620 WeakPolarHBondContact CA-O 3.1Å; K610-A620 PolarHBondContact N-O 3.04Å; K610-A620 PolarHBondContact O-N 3.36Å; A620-Y628 CarbonylContact C-O 3.45Å; A620-Y628 WeakPolarHBondContact CA-O 3.33Å; A620-I629 HydrophobicContact CB-CG1 4.32Å; A620-L645 HydrophobicContact CB-CD1 4.03Å; A620-F648 HydrophobicContact CB-CD1 4.09Å; A620-F648 HydrophobicContact CB-CE1 4.01Å; A620-V653 HydrophobicContact CB-CG1 4.07Å; A620-V653 HydrophobicContact CB-CG2 3.9Å
621I96Very high91.7Very high0 Ų029 Ų290%014%0.138CC..EExtended strand (participates in β ladder)trans-126.4149.9174.174.5179.8000110.2F577 R603 V606 D608 V609 F619 M627 Y628 F630F577-I621 HydrophobicContact CD1-CG2 4.16Å; F577-I621 HydrophobicContact CE1-CG2 3.85Å; F577-I621 HydrophobicContact CZ-CG2 4.37Å; R603-I621 HydrophobicContact CB-CD1 4.04Å; R603-I621 HydrophobicContact CG-CD1 3.76Å; V606-I621 HydrophobicContact CG1-CB 4.13Å; V606-I621 HydrophobicContact CG2-CD1 4.04Å; D608-I621 CarbonylContact O-C 3.52Å; D608-I621 WeakPolarHBondContact O-CA 3.47Å; V609-I621 HydrophobicContact CG1-CG2 4.24Å; V609-I621 HydrophobicContact CG2-CB 4.26Å; V609-I621 HydrophobicContact CG2-CG2 3.88Å; F619-I621 HydrophobicContact CD2-CG2 3.65Å; F619-I621 HydrophobicContact CE2-CG2 3.74Å; I621-M627 WeakPolarHBondContact O-CA 3.27Å; I621-Y628 PolarHBondContact N-O 3.08Å; I621-Y628 PolarHBondContact O-N 3.37Å; I621-F630 HydrophobicContact CD1-CD2 4.48Å; I621-F630 HydrophobicContact CD1-CE2 3.51Å; I621-F630 HydrophobicContact CD1-CZ 4.09Å; I621-F630 HydrophobicContact CG1-CD2 4.48Å; I621-F630 HydrophobicContact CG1-CE2 3.8Å
622M94.3Very high91.3Very high0 Ų028.7 Ų28.70%014%0.138CC..EExtended strand (participates in β ladder)trans-103.6113168.8-65.8-56.9-62.900110.1V606 W607 D608 M627 T641 L645V606-M622 VanDerWaalsContact CA-O 3.3Å; V606-M622 WeakPolarHBondContact CA-O 3.45Å; W607-M622 HydrophobicContact CD2-CB 3.94Å; W607-M622 VanDerWaalsContact CE2-CB 3.44Å; W607-M622 HydrophobicContact CE3-CB 4.39Å; W607-M622 HydrophobicContact CH2-CB 3.88Å; W607-M622 HydrophobicContact CH2-CE 4.11Å; W607-M622 HydrophobicContact CH2-CG 3.82Å; W607-M622 HydrophobicContact CZ2-CB 3.44Å; W607-M622 VanDerWaalsContact CZ2-CB 3.44Å; W607-M622 HydrophobicContact CZ2-CE 3.59Å; W607-M622 HydrophobicContact CZ2-CG 3.79Å; W607-M622 HydrophobicContact CZ3-CB 4.35Å; W607-M622 HydrophobicContact CZ3-CG 4.41Å; W607-M622 PolarHBondContact N-O 2.78Å; D608-M622 HydrophobicContact CB-CB 3.94Å; D608-M622 HydrophobicContact CB-CG 3.98Å; D608-M622 PolarHBondContact O-N 3.4Å; M622-M627 HydrophobicContact CE-CB 4.39Å; M622-M627 HydrophobicContact SD-CB 3.55Å; M622-M627 VanDerWaalsContact SD-CB 3.55Å; M622-M627 HydrophobicContact SD-CG 3.78Å; M622-M627 HydrophobicContact SD-SD 4.4Å; M622-T641 HydrophobicContact CE-CG2 4.01Å; M622-T641 VanDerWaalsContact CE-O 3.24Å; M622-T641 WeakPolarHBondContact CE-O 3.3Å; M622-T641 HydrophobicContact SD-CG2 4.43Å; M622-L645 HydrophobicContact CG-CD1 3.95Å; M622-L645 HydrophobicContact CG-CD2 4.3Å; M622-L645 HydrophobicContact CG-CG 3.9Å; M622-L645 HydrophobicContact SD-CD2 4.14Å; M622-L645 HydrophobicContact SD-CG 4.39Å
623E92.7Very high91Very high34 Ų3431.2 Ų31.216%0.15915%0.151CC..EExtended strand (participates in β ladder)trans-114.7113.9176.9177.9174.9144.300108.9R603 K604 D605 V606 T625 R626 Y628R603-E623 IonicContact CZ-OE2 3.45Å; R603-E623 IonicContact NE-OE2 3.3Å; R603-E623 PolarHBondContact NE-OE2 2.89Å; R603-E623 IonicContact NH2-OE1 2.89Å; R603-E623 IonicContact NH2-OE2 2.84Å; R603-E623 PolarHBondContact NH2-OE2 2.63Å; K604-E623 VanDerWaalsContact O-CG 3.26Å; K604-E623 WeakPolarHBondContact O-CG 3.32Å; D605-E623 WeakPolarHBondContact O-CA 3.35Å; V606-E623 HydrophobicContact CG2-CB 4.32Å; E623-T625 PolarHBondContact O-N 3.28Å; E623-R626 PolarHBondContact N-O 3.36Å; E623-R626 PolarHBondContact O-N 2.95Å; E623-Y628 HydrophobicContact CB-CD2 3.99Å; E623-Y628 HydrophobicContact CB-CE2 3.93Å; E623-Y628 HydrophobicContact CG-CE2 4.38Å
624K89.5Confident91.1Very high71 Ų7134.8 Ų34.831%0.30917%0.168SC..THydrogen-bonded Turntrans51.9-106.6-171.5-56.5-179.2-176-177.10111.9Y4 D605 W607Y4-K624 HydrophobicContact CD2-CB 3.95Å; Y4-K624 HydrophobicContact CD2-CD 3.98Å; Y4-K624 HydrophobicContact CD2-CG 3.68Å; Y4-K624 HydrophobicContact CE2-CB 3.65Å; Y4-K624 HydrophobicContact CE2-CD 4.35Å; Y4-K624 HydrophobicContact CE2-CG 3.94Å; Y4-K624 HydrophobicContact CG-CG 4.12Å; D605-K624 HydrophobicContact CB-CD 4.41Å; D605-K624 HydrophobicContact CB-CG 3.76Å; D605-K624 PolarHBondContact O-N 3.31Å; D605-K624 VanDerWaalsContact O-N 3.08Å; D605-K624 WeakPolarHBondContact OD2-CE 3.24Å; D605-K624 IonicContact OD2-NZ 3.04Å; D605-K624 PolarHBondContact OD2-NZ 3.19Å; W607-K624 PolarHBondContact NE1-O 3.04Å
625T88.9Confident91.3Very high21 Ų2133.3 Ų33.313%0.12917%0.166CC..THydrogen-bonded Turntrans-117.629178.755.20000111.9Y4 L54 E623 H640 T641Y4-T625 WeakPolarHBondContact OH-CG2 3.39Å; L54-T625 WeakPolarHBondContact O-CG2 3.34Å; E623-T625 PolarHBondContact O-N 3.28Å; T625-H640 PolarHBondContact O-ND1 2.73Å; T625-H640 PolarHBondContact OG1-CE1 3.19Å; T625-H640 VanDerWaalsContact OG1-CE1 3.25Å; T625-T641 CarbonylContact C-O 3.52Å; T625-T641 WeakPolarHBondContact CA-O 3.46Å; T625-T641 PolarHBondContact O-N 3.4Å
626R91.4Very high91.6Very high128 Ų12832.3 Ų32.348%0.48316%0.16SC..EExtended strand (participates in β ladder)trans-133.4132.3-178.8-67.2178.9-179.2171.2-0.8110.4E623 Y628 A638 I639E623-R626 PolarHBondContact N-O 3.36Å; E623-R626 PolarHBondContact O-N 2.95Å; R626-Y628 HydrophobicContact CB-CD2 4.31Å; R626-Y628 HydrophobicContact CB-CE2 3.7Å; R626-A638 HydrophobicContact CB-CB 4.28Å; R626-I639 CarbonylContact C-O 3.51Å; R626-I639 VanDerWaalsContact CA-O 3.3Å; R626-I639 WeakPolarHBondContact CA-O 3.28Å
627M94.1Very high91.7Very high1 Ų135.6 Ų35.61%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-90.6129.2168.4-172.5174.265.800109.2I621 M622 I629 A638 I639 T641 L645 V653 T677I621-M627 WeakPolarHBondContact O-CA 3.27Å; M622-M627 HydrophobicContact CE-CB 4.39Å; M622-M627 HydrophobicContact SD-CB 3.55Å; M622-M627 VanDerWaalsContact SD-CB 3.55Å; M622-M627 HydrophobicContact SD-CG 3.78Å; M622-M627 HydrophobicContact SD-SD 4.4Å; M627-I629 HydrophobicContact CE-CD1 4.22Å; M627-I629 HydrophobicContact CE-CG1 4.46Å; M627-A638 WeakPolarHBondContact O-CA 3.36Å; M627-I639 HydrophobicContact CB-CB 4.4Å; M627-I639 HydrophobicContact CE-CB 4.23Å; M627-I639 HydrophobicContact CE-CD1 3.56Å; M627-I639 HydrophobicContact CE-CG2 4.38Å; M627-I639 PolarHBondContact N-O 3.12Å; M627-I639 PolarHBondContact O-N 3.18Å; M627-T641 HydrophobicContact CB-CG2 3.68Å; M627-L645 HydrophobicContact SD-CD2 3.88Å; M627-V653 HydrophobicContact CE-CB 4.47Å; M627-V653 HydrophobicContact SD-CB 4.21Å; M627-V653 HydrophobicContact SD-CG1 3.66Å; M627-T677 HydrophobicContact CE-CG2 3.69Å
628Y95.1Very high91.9Very high32 Ų3236.6 Ų36.613%0.12519%0.193CC..EExtended strand (participates in β ladder)trans-114.6128.9171-68-96000108.4A620 I621 E623 R626 F630 A635 A638A620-Y628 CarbonylContact C-O 3.45Å; A620-Y628 WeakPolarHBondContact CA-O 3.33Å; I621-Y628 PolarHBondContact N-O 3.08Å; I621-Y628 PolarHBondContact O-N 3.37Å; E623-Y628 HydrophobicContact CB-CD2 3.99Å; E623-Y628 HydrophobicContact CB-CE2 3.93Å; E623-Y628 HydrophobicContact CG-CE2 4.38Å; R626-Y628 HydrophobicContact CB-CD2 4.31Å; R626-Y628 HydrophobicContact CB-CE2 3.7Å; Y628-F630 VanDerWaalsContact CB-CE2 3.49Å; Y628-F630 HydrophobicContact CG-CE2 4.48Å; Y628-A635 HydrophobicContact CD1-CB 4.48Å; Y628-A638 HydrophobicContact CD1-CB 3.97Å; Y628-A638 HydrophobicContact CE1-CB 3.5Å; Y628-A638 HydrophobicContact CE2-CB 4.16Å; Y628-A638 HydrophobicContact CG-CB 4.48Å
629I94.9Very high91.8Very high2 Ų238.4 Ų38.41%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-103.9132.2173.7-58.5173.6000107.1A620 M627 E636 I639 F648 V653 I679A620-I629 HydrophobicContact CB-CG1 4.32Å; M627-I629 HydrophobicContact CE-CD1 4.22Å; M627-I629 HydrophobicContact CE-CG1 4.46Å; I629-E636 HydrophobicContact CB-CB 4.33Å; I629-E636 HydrophobicContact CB-CG 4.31Å; I629-E636 PolarHBondContact O-N 3.01Å; I629-I639 HydrophobicContact CD1-CD1 4.24Å; I629-F648 HydrophobicContact CG2-CE1 4.49Å; I629-F648 HydrophobicContact CG2-CZ 4.16Å; I629-V653 HydrophobicContact CD1-CG2 3.76Å; I629-V653 HydrophobicContact CG1-CG2 4.06Å; I629-I679 HydrophobicContact CG2-CG1 4.19Å
630F93Very high91.6Very high2 Ų240.7 Ų40.71%0.00921%0.213CC..EExtended strand (participates in β ladder)trans-116.5133.5-179-70.7-94.8000110.2F601 I618 F619 I621 Y628 Q634 A635F601-F630 AromaticContact CE2-CD1 3.98Å; F601-F630 HydrophobicContact CE2-CD1 3.98Å; F601-F630 AromaticContact CE2-CE1 3.52Å; F601-F630 HydrophobicContact CE2-CE1 3.52Å; F601-F630 HydrophobicContact CE2-CZ 4.09Å; F601-F630 HydrophobicContact CZ-CD1 4.09Å; F601-F630 AromaticContact CZ-CE1 3.68Å; F601-F630 HydrophobicContact CZ-CE1 3.68Å; F601-F630 HydrophobicContact CZ-CE2 4.35Å; F601-F630 AromaticContact CZ-CZ 3.83Å; F601-F630 HydrophobicContact CZ-CZ 3.83Å; I618-F630 VanDerWaalsContact CA-O 3.28Å; I618-F630 WeakPolarHBondContact CA-O 3.37Å; I618-F630 WeakPolarHBondContact CG2-O 3.46Å; F619-F630 HydrophobicContact CD1-CB 3.97Å; F619-F630 HydrophobicContact CD2-CB 4.16Å; F619-F630 HydrophobicContact CD2-CD2 4.06Å; F619-F630 HydrophobicContact CD2-CG 4.39Å; F619-F630 HydrophobicContact CE1-CB 3.54Å; F619-F630 HydrophobicContact CE1-CG 4.19Å; F619-F630 HydrophobicContact CE2-CB 3.74Å; F619-F630 HydrophobicContact CE2-CD1 4.49Å; F619-F630 AromaticContact CE2-CD2 3.44Å; F619-F630 HydrophobicContact CE2-CD2 3.44Å; F619-F630 VanDerWaalsContact CE2-CD2 3.44Å; F619-F630 HydrophobicContact CE2-CE2 4.17Å; F619-F630 AromaticContact CE2-CG 3.64Å; F619-F630 HydrophobicContact CE2-CG 3.64Å; F619-F630 HydrophobicContact CG-CB 4.26Å; F619-F630 HydrophobicContact CZ-CB 3.4Å; F619-F630 HydrophobicContact CZ-CD1 4.1Å; F619-F630 AromaticContact CZ-CD2 3.85Å; F619-F630 HydrophobicContact CZ-CD2 3.85Å; F619-F630 AromaticContact CZ-CG 3.51Å; F619-F630 HydrophobicContact CZ-CG 3.51Å; F619-F630 PolarHBondContact N-O 3.15Å; F619-F630 VanDerWaalsContact N-O 3.09Å; F619-F630 PolarHBondContact O-N 3.19Å; I621-F630 HydrophobicContact CD1-CD2 4.48Å; I621-F630 HydrophobicContact CD1-CE2 3.51Å; I621-F630 HydrophobicContact CD1-CZ 4.09Å; I621-F630 HydrophobicContact CG1-CD2 4.48Å; I621-F630 HydrophobicContact CG1-CE2 3.8Å; Y628-F630 VanDerWaalsContact CB-CE2 3.49Å; Y628-F630 HydrophobicContact CG-CE2 4.48Å; F630-Q634 WeakPolarHBondContact CA-O 3.24Å; F630-A635 HydrophobicContact CD1-CB 3.93Å; F630-A635 HydrophobicContact CE1-CB 3.5Å; F630-A635 VanDerWaalsContact CE1-CB 3.5Å; F630-A635 HydrophobicContact CZ-CB 3.87Å
631D89.3Confident91.2Very high58 Ų5841.1 Ų41.131%0.3122%0.215SC..EExtended strand (participates in β ladder)trans-111106.5163-172.6-2.9000107.2I618 L633 Q634 K681I618-D631 HydrophobicContact CG1-CB 4.31Å; D631-L633 PolarHBondContact O-N 3.12Å; D631-Q634 PolarHBondContact N-O 2.99Å; D631-Q634 PolarHBondContact O-N 3.32Å; D631-K681 VanDerWaalsContact OD2-CE 3.27Å; D631-K681 WeakPolarHBondContact OD2-CE 3.5Å; D631-K681 IonicContact OD2-NZ 3.52Å; D631-K681 PolarHBondContact OD2-NZ 3.17Å
632G86.4Confident90.8Very high6 Ų641.3 Ų41.36%0.06222%0.217CC..THydrogen-bonded Turntrans65.1-127.9-162.400000110.5F595 N617 F619F595-G632 WeakPolarHBondContact CE1-O 3.36Å; N617-G632 PolarHBondContact O-N 3.05Å; F619-G632 WeakPolarHBondContact CE1-O 3.46Å
633L87.5Confident90.6Very high55 Ų5541.4 Ų41.429%0.28822%0.217SC..THydrogen-bonded Turntrans-97.62.9174.2-56.6-176.1000113L579 F595 Q596 F601 D631L579-L633 HydrophobicContact CD1-CD2 3.98Å; F595-L633 HydrophobicContact CD1-CD2 3.69Å; F595-L633 HydrophobicContact CD1-CG 4.09Å; F595-L633 HydrophobicContact CE1-CD2 4.32Å; F595-L633 HydrophobicContact CG-CD2 4.44Å; Q596-L633 WeakPolarHBondContact O-CD1 3.38Å; F601-L633 HydrophobicContact CB-CD2 4.06Å; F601-L633 HydrophobicContact CD2-CB 4.41Å; F601-L633 HydrophobicContact CD2-CD2 3.71Å; F601-L633 HydrophobicContact CD2-CG 4.5Å; F601-L633 HydrophobicContact CE2-CD2 4.3Å; F601-L633 HydrophobicContact CG-CD2 3.89Å; D631-L633 PolarHBondContact O-N 3.12Å
634Q89.2Confident90.6Very high154 Ų15440.2 Ų40.272%0.7221%0.211SC*.EExtended strand (participates in β ladder)trans-88.8117.5-178.1-171.7173.410.800110.6F630 D631F630-Q634 WeakPolarHBondContact CA-O 3.24Å; D631-Q634 PolarHBondContact N-O 2.99Å; D631-Q634 PolarHBondContact O-N 3.32Å
635A91.3Very high90.9Very high45 Ų4537.1 Ų37.137%0.37220%0.198SC..EExtended strand (participates in β ladder)trans-82138.3178.200000112.5Y628 F630Y628-A635 HydrophobicContact CD1-CB 4.48Å; F630-A635 HydrophobicContact CD1-CB 3.93Å; F630-A635 HydrophobicContact CE1-CB 3.5Å; F630-A635 VanDerWaalsContact CE1-CB 3.5Å; F630-A635 HydrophobicContact CZ-CB 3.87Å
636E92Very high91.1Very high24 Ų2436.5 Ų36.511%0.11219%0.194CC..PPolyproline II helixtrans-73.1163.4162.8-68.1-162.317700112.2I629 A638 I679 K680 R683I629-E636 HydrophobicContact CB-CB 4.33Å; I629-E636 HydrophobicContact CB-CG 4.31Å; I629-E636 PolarHBondContact O-N 3.01Å; E636-A638 PolarHBondContact O-N 3.36Å; E636-I679 WeakPolarHBondContact OE1-CG2 3.2Å; E636-K680 VanDerWaalsContact CD-N 3.33Å; E636-K680 HydrophobicContact CG-CB 4.23Å; E636-K680 WeakPolarHBondContact OE1-CB 3.46Å; E636-K680 PolarHBondContact OE1-N 2.85Å; E636-K680 WeakPolarHBondContact OE2-CB 3.37Å; E636-K680 PolarHBondContact OE2-N 2.86Å; E636-R683 IonicContact OE2-NH2 2.8Å; E636-R683 PolarHBondContact OE2-NH2 2.83Å
637P91.2Very high91.1Very high92 Ų9231.4 Ų31.460%0.59718%0.175SC*.PPolyproline II helixtrans-53.4129.7168.6-24.834.4000111.3
638A91.4Very high91.1Very high43 Ų4331.4 Ų31.436%0.35518%0.175SC..PPolyproline II helixtrans-62.3140.4-176.400000112.1R626 M627 Y628 E636R626-A638 HydrophobicContact CB-CB 4.28Å; M627-A638 WeakPolarHBondContact O-CA 3.36Å; Y628-A638 HydrophobicContact CD1-CB 3.97Å; Y628-A638 HydrophobicContact CE1-CB 3.5Å; Y628-A638 HydrophobicContact CE2-CB 4.16Å; Y628-A638 HydrophobicContact CG-CB 4.48Å; E636-A638 PolarHBondContact O-N 3.36Å
639I90.1Very high90.9Very high39 Ų3933.4 Ų33.420%0.218%0.184CC..EExtended strand (participates in β ladder)trans-106.1127.1176.7-64.8141.2000108.6R626 M627 I629 T641 T677R626-I639 CarbonylContact C-O 3.51Å; R626-I639 VanDerWaalsContact CA-O 3.3Å; R626-I639 WeakPolarHBondContact CA-O 3.28Å; M627-I639 HydrophobicContact CB-CB 4.4Å; M627-I639 HydrophobicContact CE-CB 4.23Å; M627-I639 HydrophobicContact CE-CD1 3.56Å; M627-I639 HydrophobicContact CE-CG2 4.38Å; M627-I639 PolarHBondContact N-O 3.12Å; M627-I639 PolarHBondContact O-N 3.18Å; I629-I639 HydrophobicContact CD1-CD1 4.24Å; I639-T641 HydrophobicContact CG2-CG2 4.3Å; I639-T641 PolarHBondContact O-N 3.09Å; I639-T677 HydrophobicContact CD1-CG2 3.42Å; I639-T677 VanDerWaalsContact CD1-CG2 3.42Å; I639-T677 HydrophobicContact CG1-CG2 4.41Å
640H88.4Confident90.5Very high47 Ų4736.1 Ų36.122%0.21820%0.199CC..EExtended strand (participates in β ladder)trans-78.6106.8-178.3-158.942.5000110.8H51 A55 T625H51-H640 PolarHBondContact CE1-O 3.15Å; H51-H640 PolarHBondContact ND1-O 3Å; H51-H640 VanDerWaalsContact ND1-O 3.09Å; A55-H640 PolarHBondContact O-CD2 3.09Å; A55-H640 PolarHBondContact O-NE2 3.37Å; T625-H640 PolarHBondContact O-ND1 2.73Å; T625-H640 PolarHBondContact OG1-CE1 3.19Å; T625-H640 VanDerWaalsContact OG1-CE1 3.25Å
641T88.4Confident90.4Very high9 Ų936.3 Ų36.36%0.05520%0.2CC..  trans-161.1158.2-177.1-177.70000110.8M622 T625 M627 I639 T643 L675M622-T641 HydrophobicContact CE-CG2 4.01Å; M622-T641 VanDerWaalsContact CE-O 3.24Å; M622-T641 WeakPolarHBondContact CE-O 3.3Å; M622-T641 HydrophobicContact SD-CG2 4.43Å; T625-T641 CarbonylContact C-O 3.52Å; T625-T641 WeakPolarHBondContact CA-O 3.46Å; T625-T641 PolarHBondContact O-N 3.4Å; M627-T641 HydrophobicContact CB-CG2 3.68Å; I639-T641 HydrophobicContact CG2-CG2 4.3Å; I639-T641 PolarHBondContact O-N 3.09Å; T641-T643 HydrophobicContact CG2-CG2 4.14Å; T641-T643 WeakPolarHBondContact OG1-CB 3.23Å; T641-T643 PolarHBondContact OG1-N 2.91Å; T641-L675 HydrophobicContact CG2-CD2 3.87Å; T641-L675 VanDerWaalsContact OG1-CD2 3.31Å; T641-L675 WeakPolarHBondContact OG1-CD2 3.49Å
642S87.5Confident90.5Very high5 Ų535.5 Ų35.54%0.03520%0.195CC..  trans-125.130.1176.361.40000111.3R331R331-S642 PolarHBondContact NH1-O 3.3Å; R331-S642 PolarHBondContact NH2-O 3.35Å
643T91.4Very high90.8Very high1 Ų135.3 Ų35.31%0.00619%0.192CC..PPolyproline II helixtrans-76.9142.7-177-156.10000112.2W607 T641 L645 G655 V656 L675W607-T643 VanDerWaalsContact CH2-O 3.29Å; W607-T643 WeakPolarHBondContact CH2-O 3.33Å; T641-T643 HydrophobicContact CG2-CG2 4.14Å; T641-T643 WeakPolarHBondContact OG1-CB 3.23Å; T641-T643 PolarHBondContact OG1-N 2.91Å; T643-L645 HydrophobicContact CG2-CD2 4.03Å; T643-G655 WeakPolarHBondContact OG1-CA 3.27Å; T643-G655 PolarHBondContact OG1-O 3.33Å; T643-V656 WeakPolarHBondContact OG1-CA 3.47Å; T643-V656 PolarHBondContact OG1-N 2.92Å; T643-V656 PolarHBondContact OG1-O 3.01Å; T643-L675 HydrophobicContact CG2-CD2 3.95Å
644Y92.7Very high91.2Very high9 Ų934.2 Ų34.24%0.03519%0.186CC..EExtended strand (participates in β ladder)trans-82.8130.9169.7-68-99.3000109R331 P332 Y334 W607 G655 V656 L658 D659R331-Y644 PolarHBondContact NE-OH 3.42Å; R331-Y644 PolarHBondContact NH2-OH 3.36Å; P332-Y644 PolarHBondContact O-OH 3.11Å; P332-Y644 VanDerWaalsContact O-OH 3.12Å; Y334-Y644 HydrophobicContact CD2-CE2 4.11Å; Y334-Y644 AromaticContact CD2-CZ 3.84Å; Y334-Y644 HydrophobicContact CE2-CE2 4.29Å; W607-Y644 HydrophobicContact CE3-CE1 4.48Å; W607-Y644 HydrophobicContact CH2-CD1 4.48Å; W607-Y644 AromaticContact CZ3-CD1 3.74Å; W607-Y644 HydrophobicContact CZ3-CD1 3.74Å; W607-Y644 AromaticContact CZ3-CE1 3.84Å; W607-Y644 HydrophobicContact CZ3-CE1 3.84Å; W607-Y644 HydrophobicContact CZ3-CG 4.23Å; Y644-G655 CarbonylContact O-C 3.57Å; Y644-G655 WeakPolarHBondContact O-CA 3.44Å; Y644-V656 PolarHBondContact N-O 3.19Å; Y644-V656 PolarHBondContact O-N 3.24Å; Y644-L658 HydrophobicContact CD1-CD1 4.1Å; Y644-L658 HydrophobicContact CD2-CB 3.65Å; Y644-L658 HydrophobicContact CD2-CD1 3.65Å; Y644-L658 HydrophobicContact CD2-CG 3.7Å; Y644-L658 HydrophobicContact CE2-CB 3.68Å; Y644-L658 HydrophobicContact CE2-CD1 4.09Å; Y644-L658 HydrophobicContact CE2-CG 4.2Å; Y644-L658 HydrophobicContact CG-CD1 3.65Å; Y644-L658 HydrophobicContact CG-CG 4.13Å; Y644-D659 VanDerWaalsContact CE2-OD1 3.27Å; Y644-D659 WeakPolarHBondContact CE2-OD1 3.28Å; Y644-D659 PolarHBondContact OH-OD1 3.01Å; Y644-D659 VanDerWaalsContact OH-OD1 3.12Å
645L94.4Very high91.4Very high7 Ų727 Ų274%0.03715%0.152CC..EExtended strand (participates in β ladder)trans-82.4123.1-174.4-55.2-179.5000109.7D608 K610 A620 M622 M627 T643 V653D608-L645 PolarHBondContact OD2-N 2.99Å; K610-L645 HydrophobicContact CB-CB 3.94Å; K610-L645 HydrophobicContact CB-CD1 4.01Å; A620-L645 HydrophobicContact CB-CD1 4.03Å; M622-L645 HydrophobicContact CG-CD1 3.95Å; M622-L645 HydrophobicContact CG-CD2 4.3Å; M622-L645 HydrophobicContact CG-CG 3.9Å; M622-L645 HydrophobicContact SD-CD2 4.14Å; M622-L645 HydrophobicContact SD-CG 4.39Å; M627-L645 HydrophobicContact SD-CD2 3.88Å; T643-L645 HydrophobicContact CG2-CD2 4.03Å; L645-V653 HydrophobicContact CD2-CG1 3.68Å
646Y92.7Very high91.4Very high8 Ų824.8 Ų24.83%0.03113%0.134CC..EExtended strand (participates in β ladder)trans-110.9-37.7179.766.3-99.7000113.4Y338 I345 K610 Q654 G655 V656 L674Y338-Y646 AromaticContact CD1-CD2 3.66Å; Y338-Y646 HydrophobicContact CD1-CD2 3.66Å; Y338-Y646 HydrophobicContact CD1-CE2 4.47Å; Y338-Y646 HydrophobicContact CD1-CG 4.46Å; Y338-Y646 AromaticContact CD2-CD2 3.88Å; Y338-Y646 HydrophobicContact CD2-CD2 3.88Å; Y338-Y646 HydrophobicContact CD2-CE2 4.28Å; Y338-Y646 AromaticContact CE1-CD2 3.6Å; Y338-Y646 HydrophobicContact CE1-CD2 3.6Å; Y338-Y646 HydrophobicContact CE1-CE2 4.03Å; Y338-Y646 AromaticContact CE2-CD2 3.85Å; Y338-Y646 HydrophobicContact CE2-CD2 3.85Å; Y338-Y646 AromaticContact CE2-CE2 3.83Å; Y338-Y646 HydrophobicContact CE2-CE2 3.83Å; Y338-Y646 AromaticContact CG-CD2 3.78Å; Y338-Y646 HydrophobicContact CG-CD2 3.78Å; Y338-Y646 HydrophobicContact CG-CG 4.32Å; Y338-Y646 AromaticContact CZ-CD2 3.69Å; Y338-Y646 AromaticContact CZ-CE2 3.67Å; I345-Y646 HydrophobicContact CD1-CE1 4.3Å; K610-Y646 WeakPolarHBondContact CE-O 3.38Å; K610-Y646 PolarHBondContact NZ-O 3.32Å; Y646-Q654 HydrophobicContact CD1-CB 4.42Å; Y646-Q654 HydrophobicContact CD2-CB 4.29Å; Y646-Q654 HydrophobicContact CE1-CB 3.84Å; Y646-Q654 HydrophobicContact CE2-CB 3.67Å; Y646-Q654 VanDerWaalsContact CZ-CB 3.42Å; Y646-Q654 PolarHBondContact N-O 2.98Å; Y646-Q654 VanDerWaalsContact N-O 3.09Å; Y646-Q654 PolarHBondContact OH-OE1 3.09Å; Y646-G655 VanDerWaalsContact CE1-C 3.46Å; Y646-V656 HydrophobicContact CD1-CB 4.21Å; Y646-V656 HydrophobicContact CD1-CG1 4.11Å; Y646-V656 HydrophobicContact CE1-CB 4.33Å; Y646-L674 HydrophobicContact CE1-CD2 4.42Å
647E92.6Very high91.4Very high21 Ų2124.6 Ų24.610%0.09813%0.134CC..EExtended strand (participates in β ladder)trans-141.4137-177.4-174.2171.5-172.100109.9Y338 K649 Q654Y338-E647 HydrophobicContact CE1-CB 4Å; Y338-E647 HydrophobicContact CE1-CG 4.45Å; Y338-E647 WeakPolarHBondContact CE1-OE2 3.49Å; Y338-E647 PolarHBondContact OH-OE2 2.91Å; E647-K649 HydrophobicContact CG-CB 4.04Å; E647-Q654 HydrophobicContact CB-CB 4.3Å; E647-Q654 PolarHBondContact O-N 3.04Å; E647-Q654 PolarHBondContact OE2-OE1 3.27Å
648F93.8Very high91.3Very high0 Ų020.2 Ų20.20%011%0.105CC..EExtended strand (participates in β ladder)trans-132.598.7169.2-170.9-179.6000107.9K610 E612 E613 I618 A620 I629 E652 V653 I679K610-F648 HydrophobicContact CB-CB 4.36Å; K610-F648 HydrophobicContact CG-CB 3.68Å; E612-F648 CarbonylContact C-O 3.58Å; E612-F648 WeakPolarHBondContact CA-O 3.48Å; E612-F648 HydrophobicContact CB-CD1 3.96Å; E612-F648 HydrophobicContact CB-CD2 4.2Å; E612-F648 HydrophobicContact CB-CE1 4.11Å; E612-F648 HydrophobicContact CB-CE2 4.36Å; E612-F648 HydrophobicContact CB-CG 4.02Å; E612-F648 HydrophobicContact CB-CZ 4.32Å; E612-F648 HydrophobicContact CG-CD2 4.06Å; E612-F648 HydrophobicContact CG-CE2 4.22Å; E612-F648 HydrophobicContact CG-CG 4.32Å; E613-F648 PolarHBondContact N-O 3.27Å; I618-F648 HydrophobicContact CG2-CE1 3.68Å; I618-F648 HydrophobicContact CG2-CZ 3.49Å; I618-F648 VanDerWaalsContact CG2-CZ 3.49Å; A620-F648 HydrophobicContact CB-CD1 4.09Å; A620-F648 HydrophobicContact CB-CE1 4.01Å; I629-F648 HydrophobicContact CG2-CE1 4.49Å; I629-F648 HydrophobicContact CG2-CZ 4.16Å; F648-E652 WeakPolarHBondContact CD2-O 3.16Å; F648-V653 HydrophobicContact CD1-CG2 3.91Å; F648-V653 HydrophobicContact CD2-CB 4.4Å; F648-V653 HydrophobicContact CD2-CG2 3.67Å; F648-V653 HydrophobicContact CE1-CG2 3.71Å; F648-V653 HydrophobicContact CE2-CG2 3.46Å; F648-V653 VanDerWaalsContact CE2-CG2 3.46Å; F648-V653 HydrophobicContact CG-CG2 3.88Å; F648-V653 HydrophobicContact CZ-CG2 3.48Å; F648-V653 VanDerWaalsContact CZ-CG2 3.48Å; F648-I679 HydrophobicContact CE2-CD1 3.56Å; F648-I679 HydrophobicContact CE2-CG1 3.9Å; F648-I679 HydrophobicContact CZ-CD1 3.46Å; F648-I679 VanDerWaalsContact CZ-CD1 3.46Å; F648-I679 HydrophobicContact CZ-CG1 3.87Å
649K90.7Very high90.9Very high74 Ų7418.4 Ų18.432%0.3229%0.09SC..EExtended strand (participates in β ladder)trans-146.8150.5-173.5-168.6179.5-171.81530109.9E613 D614 E647 L651 E652E613-K649 HydrophobicContact CB-CG 4.42Å; E613-K649 IonicContact OE2-NZ 3.62Å; D614-K649 WeakPolarHBondContact OD2-CG 3.45Å; E647-K649 HydrophobicContact CG-CB 4.04Å; K649-L651 PolarHBondContact O-N 3.13Å; K649-E652 PolarHBondContact N-O 3.01Å; K649-E652 PolarHBondContact O-N 3.14Å
650N87Confident90.5Very high60 Ų6018.7 Ų18.732%0.3219%0.09SC..THydrogen-bonded Turntrans50.952.5178.6-61-60.6000111.4D614 E652 K708D614-N650 WeakPolarHBondContact OD2-CA 3.36Å; D614-N650 PolarHBondContact OD2-N 3.43Å; N650-E652 PolarHBondContact O-N 3.03Å; N650-K708 HydrophobicContact CB-CB 4.29Å; N650-K708 HydrophobicContact CB-CD 3.93Å; N650-K708 WeakPolarHBondContact O-CD 3.3Å; N650-K708 WeakPolarHBondContact O-CE 3.41Å; N650-K708 PolarHBondContact O-NZ 2.97Å
651L89.6Confident90.4Very high6 Ų616.6 Ų16.63%0.0318%0.081CC..THydrogen-bonded Turntrans54.528.9177.7-50.7174.2000115E612 K649 I679 V682 H706 L709E612-L651 VanDerWaalsContact OE1-CA 3.24Å; E612-L651 WeakPolarHBondContact OE1-CA 3.42Å; E612-L651 PolarHBondContact OE1-N 3.48Å; K649-L651 PolarHBondContact O-N 3.13Å; L651-I679 HydrophobicContact CB-CB 4.47Å; L651-I679 HydrophobicContact CB-CD1 3.97Å; L651-I679 HydrophobicContact CB-CG1 4.37Å; L651-I679 HydrophobicContact CD2-CD1 3.9Å; L651-I679 WeakPolarHBondContact O-CG1 3.4Å; L651-I679 PolarHBondContact O-N 3.34Å; L651-V682 HydrophobicContact CB-CG2 3.56Å; L651-V682 HydrophobicContact CD1-CG2 3.85Å; L651-V682 HydrophobicContact CG-CG2 4.39Å; L651-H706 HydrophobicContact CD1-CB 4.06Å; L651-L709 HydrophobicContact CD1-CD1 4.16Å; L651-L709 HydrophobicContact CD1-CD2 4.28Å; L651-L709 HydrophobicContact CD1-CG 3.95Å
652E92.1Very high90.1Very high41 Ų4117.4 Ų17.419%0.1929%0.085CC..EExtended strand (participates in β ladder)trans-142126.5178.7178.2165.2-135.900111.4F648 K649 N650 Q654 K676 T677 K708F648-E652 WeakPolarHBondContact CD2-O 3.16Å; K649-E652 PolarHBondContact N-O 3.01Å; K649-E652 PolarHBondContact O-N 3.14Å; N650-E652 PolarHBondContact O-N 3.03Å; E652-Q654 HydrophobicContact CG-CG 4.46Å; E652-K676 HydrophobicContact CG-CB 4.49Å; E652-K676 WeakPolarHBondContact OE1-CB 3.36Å; E652-T677 WeakPolarHBondContact CA-O 3.26Å; E652-K708 IonicContact OE2-NZ 3.75Å; E652-K708 PolarHBondContact OE2-NZ 2.93Å
653V93.9Very high89.5Confident1 Ų121.7 Ų21.71%0.00610%0.103CC..EExtended strand (participates in β ladder)trans-89.3125176.6-174.10000108.2A620 M627 I629 L645 F648 T677A620-V653 HydrophobicContact CB-CG1 4.07Å; A620-V653 HydrophobicContact CB-CG2 3.9Å; M627-V653 HydrophobicContact CE-CB 4.47Å; M627-V653 HydrophobicContact SD-CB 4.21Å; M627-V653 HydrophobicContact SD-CG1 3.66Å; I629-V653 HydrophobicContact CD1-CG2 3.76Å; I629-V653 HydrophobicContact CG1-CG2 4.06Å; L645-V653 HydrophobicContact CD2-CG1 3.68Å; F648-V653 HydrophobicContact CD1-CG2 3.91Å; F648-V653 HydrophobicContact CD2-CB 4.4Å; F648-V653 HydrophobicContact CD2-CG2 3.67Å; F648-V653 HydrophobicContact CE1-CG2 3.71Å; F648-V653 HydrophobicContact CE2-CG2 3.46Å; F648-V653 VanDerWaalsContact CE2-CG2 3.46Å; F648-V653 HydrophobicContact CG-CG2 3.88Å; F648-V653 HydrophobicContact CZ-CG2 3.48Å; F648-V653 VanDerWaalsContact CZ-CG2 3.48Å; V653-T677 PolarHBondContact N-O 3.37Å; V653-T677 PolarHBondContact O-N 3.2Å
654Q94.1Very high88.6Confident33 Ų3323.7 Ų23.715%0.15412%0.115CC..EExtended strand (participates in β ladder)trans-110.4135.4176.2-53.6-172.9-0.200110.4Y646 E647 E652 L675 K676Y646-Q654 HydrophobicContact CD1-CB 4.42Å; Y646-Q654 HydrophobicContact CD2-CB 4.29Å; Y646-Q654 HydrophobicContact CE1-CB 3.84Å; Y646-Q654 HydrophobicContact CE2-CB 3.67Å; Y646-Q654 VanDerWaalsContact CZ-CB 3.42Å; Y646-Q654 PolarHBondContact N-O 2.98Å; Y646-Q654 VanDerWaalsContact N-O 3.09Å; Y646-Q654 PolarHBondContact OH-OE1 3.09Å; E647-Q654 HydrophobicContact CB-CB 4.3Å; E647-Q654 PolarHBondContact O-N 3.04Å; E647-Q654 PolarHBondContact OE2-OE1 3.27Å; E652-Q654 HydrophobicContact CG-CG 4.46Å; Q654-L675 WeakPolarHBondContact CA-O 3.49Å; Q654-K676 HydrophobicContact CG-CG 4.46Å
655G93.5Very high87.3Confident1 Ų125.8 Ų25.81%0.0113%0.129CC..EExtended strand (participates in β ladder)trans-142.7162.217700000113.2T643 Y644 Y646 L675T643-G655 WeakPolarHBondContact OG1-CA 3.27Å; T643-G655 PolarHBondContact OG1-O 3.33Å; Y644-G655 CarbonylContact O-C 3.57Å; Y644-G655 WeakPolarHBondContact O-CA 3.44Å; Y646-G655 VanDerWaalsContact CE1-C 3.46Å; G655-L675 PolarHBondContact N-O 2.81Å; G655-L675 PolarHBondContact O-N 3.39Å
656V92.9Very high85.9Confident0 Ų031.9 Ų31.90%016%0.162CC..EExtended strand (participates in β ladder)trans-124.4137.917858.60000112.2W336 I345 T643 Y644 Y646 L658 L661 F673 L674W336-V656 HydrophobicContact CH2-CG1 4.37Å; W336-V656 HydrophobicContact CZ3-CG1 4.1Å; I345-V656 HydrophobicContact CD1-CB 3.98Å; I345-V656 HydrophobicContact CD1-CG1 4.32Å; I345-V656 HydrophobicContact CD1-CG2 3.99Å; T643-V656 WeakPolarHBondContact OG1-CA 3.47Å; T643-V656 PolarHBondContact OG1-N 2.92Å; T643-V656 PolarHBondContact OG1-O 3.01Å; Y644-V656 PolarHBondContact N-O 3.19Å; Y644-V656 PolarHBondContact O-N 3.24Å; Y646-V656 HydrophobicContact CD1-CB 4.21Å; Y646-V656 HydrophobicContact CD1-CG1 4.11Å; Y646-V656 HydrophobicContact CE1-CB 4.33Å; V656-L658 HydrophobicContact CG1-CD2 3.87Å; V656-L658 HydrophobicContact CG1-CG 3.94Å; V656-L658 HydrophobicContact CG2-CD2 4.08Å; V656-L658 PolarHBondContact O-N 3.43Å; V656-L658 VanDerWaalsContact O-N 3.1Å; V656-L661 HydrophobicContact CG2-CD1 3.38Å; V656-F673 WeakPolarHBondContact CA-O 3.46Å; V656-L674 HydrophobicContact CB-CD2 4.32Å; V656-L674 HydrophobicContact CG2-CD2 4.26Å
657L90.2Very high85Confident19 Ų1936.6 Ų36.610%0.09919%0.187CC..  trans-82.672.2176.6-65.9173.6000111.5K52 D659 E660 L661 F673K52-L657 HydrophobicContact CB-CD1 4.14Å; L657-D659 VanDerWaalsContact C-N 3.32Å; L657-D659 PolarHBondContact O-N 2.91Å; L657-E660 HydrophobicContact CB-CB 4.39Å; L657-E660 HydrophobicContact CB-CG 4.4Å; L657-E660 PolarHBondContact O-N 3Å; L657-L661 PolarHBondContact O-N 3.42Å; L657-L661 VanDerWaalsContact O-N 3.15Å; L657-F673 PolarHBondContact N-O 2.78Å
658L88.8Confident84.4Confident0 Ų040 Ų400%020%0.203CC..Hα-helixtrans-60-37.2-177.5-62.6175000113.7Y334 W336 Y644 V656 E660 L661 V662Y334-L658 HydrophobicContact CD2-CB 3.77Å; Y334-L658 HydrophobicContact CD2-CD1 4.23Å; Y334-L658 HydrophobicContact CE2-CB 4.12Å; Y334-L658 HydrophobicContact CG-CB 4.47Å; W336-L658 HydrophobicContact CB-CD1 4.27Å; W336-L658 VanDerWaalsContact CD1-CD1 3.5Å; W336-L658 HydrophobicContact CD2-CD1 3.64Å; W336-L658 HydrophobicContact CE3-CD1 4.37Å; W336-L658 HydrophobicContact CG-CD1 3.54Å; W336-L658 HydrophobicContact CZ2-CD1 4.44Å; Y644-L658 HydrophobicContact CD1-CD1 4.1Å; Y644-L658 HydrophobicContact CD2-CB 3.65Å; Y644-L658 HydrophobicContact CD2-CD1 3.65Å; Y644-L658 HydrophobicContact CD2-CG 3.7Å; Y644-L658 HydrophobicContact CE2-CB 3.68Å; Y644-L658 HydrophobicContact CE2-CD1 4.09Å; Y644-L658 HydrophobicContact CE2-CG 4.2Å; Y644-L658 HydrophobicContact CG-CD1 3.65Å; Y644-L658 HydrophobicContact CG-CG 4.13Å; V656-L658 HydrophobicContact CG1-CD2 3.87Å; V656-L658 HydrophobicContact CG1-CG 3.94Å; V656-L658 HydrophobicContact CG2-CD2 4.08Å; V656-L658 PolarHBondContact O-N 3.43Å; V656-L658 VanDerWaalsContact O-N 3.1Å; L658-E660 PolarHBondContact O-N 3.27Å; L658-L661 HydrophobicContact CD2-CD1 4.28Å; L658-L661 PolarHBondContact O-N 3.29Å; L658-V662 WeakPolarHBondContact O-CB 3.34Å; L658-V662 WeakPolarHBondContact O-CG2 3.41Å; L658-V662 PolarHBondContact O-N 2.95Å
659D84.3Confident83.9Confident6 Ų640.2 Ų40.23%0.03220%0.204CC..Hα-helixtrans-55.9-36.7178.4-66.819.4000111.9L54 R331 Y334 Y644 L657 K663L54-D659 WeakPolarHBondContact CD1-OD2 3.23Å; R331-D659 IonicContact CZ-OD1 2.64Å; R331-D659 IonicContact CZ-OD2 2.84Å; R331-D659 IonicContact NH1-OD1 3.89Å; R331-D659 PolarHBondContact NH1-OD1 3.43Å; R331-D659 VanDerWaalsContact NH1-OD1 3.16Å; R331-D659 IonicContact NH1-OD2 2.61Å; R331-D659 PolarHBondContact NH1-OD2 3.18Å; Y334-D659 WeakPolarHBondContact CE2-OD1 3.42Å; Y644-D659 VanDerWaalsContact CE2-OD1 3.27Å; Y644-D659 WeakPolarHBondContact CE2-OD1 3.28Å; Y644-D659 PolarHBondContact OH-OD1 3.01Å; Y644-D659 VanDerWaalsContact OH-OD1 3.12Å; L657-D659 VanDerWaalsContact C-N 3.32Å; L657-D659 PolarHBondContact O-N 2.91Å; D659-K663 WeakPolarHBondContact O-CD 3.24Å; D659-K663 VanDerWaalsContact O-CG 3.26Å; D659-K663 WeakPolarHBondContact O-CG 3.42Å
660E82.5Confident83.6Confident44 Ų4439.2 Ų39.221%0.20620%0.202CC..Hα-helixtrans-83.8-35.3-179.9-61.4-60.9132.800112G53 L657 L658 K663 T664 F673G53-E660 WeakPolarHBondContact CA-OE1 3.3Å; L657-E660 HydrophobicContact CB-CB 4.39Å; L657-E660 HydrophobicContact CB-CG 4.4Å; L657-E660 PolarHBondContact O-N 3Å; L658-E660 PolarHBondContact O-N 3.27Å; E660-K663 PolarHBondContact O-N 2.93Å; E660-T664 PolarHBondContact O-N 2.99Å; E660-T664 PolarHBondContact O-OG1 3.37Å; E660-F673 HydrophobicContact CB-CD1 3.98Å; E660-F673 HydrophobicContact CB-CE1 3.84Å
661L85Confident83.5Confident4 Ų443.1 Ų43.12%0.02122%0.218CC..Hα-helixtrans-64.3-40.5174.9-76.7173.7000112.2Y347 W362 V656 L657 L658 T664 P669 F673Y347-L661 HydrophobicContact CE2-CB 4.38Å; W362-L661 HydrophobicContact CZ3-CD1 4.19Å; V656-L661 HydrophobicContact CG2-CD1 3.38Å; L657-L661 PolarHBondContact O-N 3.42Å; L657-L661 VanDerWaalsContact O-N 3.15Å; L658-L661 HydrophobicContact CD2-CD1 4.28Å; L658-L661 PolarHBondContact O-N 3.29Å; L661-T664 PolarHBondContact O-N 3.42Å; L661-T664 PolarHBondContact O-OG1 3.14Å; L661-P669 HydrophobicContact CD2-CB 3.77Å; L661-F673 HydrophobicContact CD1-CB 4.2Å; L661-F673 HydrophobicContact CD2-CB 3.86Å; L661-F673 HydrophobicContact CD2-CD1 3.98Å; L661-F673 HydrophobicContact CD2-CD2 3.34Å; L661-F673 HydrophobicContact CD2-CE1 4.36Å; L661-F673 HydrophobicContact CD2-CE2 3.78Å; L661-F673 HydrophobicContact CD2-CG 3.45Å; L661-F673 VanDerWaalsContact CD2-CG 3.45Å; L661-F673 HydrophobicContact CD2-CZ 4.27Å; L661-F673 HydrophobicContact CG-CB 3.93Å; L661-F673 HydrophobicContact CG-CD1 4.05Å; L661-F673 HydrophobicContact CG-CD2 4.23Å; L661-F673 HydrophobicContact CG-CG 3.81Å
662V81.7Confident83.3Confident26 Ų2648.7 Ų48.716%0.15824%0.244CC..Hα-helixtrans-73.1-29.6-178.6171.70000111.9Y334 Y347 L658 V665Y334-V662 HydrophobicContact CD1-CG2 3.89Å; Y334-V662 HydrophobicContact CE1-CB 3.98Å; Y334-V662 HydrophobicContact CE1-CG1 3.81Å; Y334-V662 HydrophobicContact CE1-CG2 3.72Å; Y334-V662 HydrophobicContact CG-CG2 4.47Å; Y347-V662 HydrophobicContact CD2-CG2 4.45Å; L658-V662 WeakPolarHBondContact O-CB 3.34Å; L658-V662 WeakPolarHBondContact O-CG2 3.41Å; L658-V662 PolarHBondContact O-N 2.95Å; V662-V665 WeakPolarHBondContact O-CG2 3.39Å
663K75.5Confident83Confident95 Ų9547.6 Ų47.641%0.41324%0.239SC..Hα-helixtrans-71.3-33.7174.5-74175.9-176.9-169.90112.7G313 D659 E660 V665G313-K663 WeakPolarHBondContact O-CE 3.35Å; G313-K663 PolarHBondContact O-NZ 3.39Å; D659-K663 WeakPolarHBondContact O-CD 3.24Å; D659-K663 VanDerWaalsContact O-CG 3.26Å; D659-K663 WeakPolarHBondContact O-CG 3.42Å; E660-K663 PolarHBondContact O-N 2.93Å; K663-V665 PolarHBondContact O-N 3.34Å
664T71.9Confident82.8Confident42 Ų4248.9 Ų48.926%0.25825%0.246SC..SBendtrans-85.958.3-176.748.90000112.3E660 L661 N666 I667E660-T664 PolarHBondContact O-N 2.99Å; E660-T664 PolarHBondContact O-OG1 3.37Å; L661-T664 PolarHBondContact O-N 3.42Å; L661-T664 PolarHBondContact O-OG1 3.14Å; T664-N666 PolarHBondContact O-N 3.03Å; T664-I667 HydrophobicContact CG2-CD1 4.09Å; T664-I667 PolarHBondContact O-N 2.93Å
665V66.2Low82.6Confident53 Ų5349.8 Ų49.832%0.32125%0.251SS..THydrogen-bonded Turntrans-59.8127.6177-1760000109.8Y349 V662 K663Y349-V665 HydrophobicContact CD2-CG1 4.17Å; Y349-V665 HydrophobicContact CD2-CG2 3.95Å; Y349-V665 HydrophobicContact CE2-CB 4.45Å; Y349-V665 HydrophobicContact CE2-CG1 3.61Å; Y349-V665 HydrophobicContact CE2-CG2 4.22Å; V662-V665 WeakPolarHBondContact O-CG2 3.39Å; K663-V665 PolarHBondContact O-N 3.34Å
666N65.4Low82.5Confident136 Ų13655.4 Ų55.473%0.72728%0.275SS*.THydrogen-bonded Turntrans77.410.2-177.7-50.3-43.8000117.6T664T664-N666 PolarHBondContact O-N 3.03Å
667I73.7Confident82.5Confident107 Ų10756.1 Ų56.155%0.54928%0.28SS..SBendtrans-99.4136.5172.9-55.8-175.6000109.5T664 P669T664-I667 HydrophobicContact CG2-CD1 4.09Å; T664-I667 PolarHBondContact O-N 2.93Å; I667-P669 WeakPolarHBondContact O-CD 3.4Å
668Q79.7Confident82.5Confident93 Ų9356.8 Ų56.844%0.43529%0.285SS..PPolyproline II helixtrans-63.2121.5173.1-172.270.3200108.8N367 T369N367-Q668 PolarHBondContact O-NE2 2.79Å; T369-Q668 VanDerWaalsContact OG1-CD 3.29Å; T369-Q668 PolarHBondContact OG1-NE2 3.38Å; T369-Q668 PolarHBondContact OG1-OE1 2.81Å
669P83.3Confident82.6Confident4 Ų456.9 Ų56.93%0.02629%0.286CS..PPolyproline II helixtrans-61.3145.3176.528.1-35.4000110W362 N367 T369 L661 I667W362-P669 HydrophobicContact CB-CG 4.24Å; W362-P669 HydrophobicContact CD2-CB 3.73Å; W362-P669 HydrophobicContact CD2-CG 3.65Å; W362-P669 HydrophobicContact CE3-CB 3.94Å; W362-P669 HydrophobicContact CE3-CG 4.26Å; W362-P669 HydrophobicContact CG-CB 4.25Å; W362-P669 HydrophobicContact CG-CG 3.61Å; W362-P669 HydrophobicContact CH2-CB 4.09Å; W362-P669 HydrophobicContact CZ2-CB 3.91Å; W362-P669 HydrophobicContact CZ2-CG 4.43Å; W362-P669 HydrophobicContact CZ3-CB 4.11Å; N367-P669 PolarHBondContact OD1-O 3.24Å; T369-P669 HydrophobicContact CG2-CG 3.46Å; T369-P669 VanDerWaalsContact CG2-CG 3.46Å; L661-P669 HydrophobicContact CD2-CB 3.77Å; I667-P669 WeakPolarHBondContact O-CD 3.4Å
670N84.6Confident82.9Confident53 Ų5361.5 Ų61.528%0.28331%0.306SS..  trans-128.1171.5-178.6678.7000110.5W362 E672 F673W362-N670 WeakPolarHBondContact CH2-O 3.41Å; W362-N670 WeakPolarHBondContact CZ2-O 3.26Å; N670-E672 PolarHBondContact O-N 2.88Å; N670-E672 VanDerWaalsContact O-N 3.1Å; N670-E672 WeakPolarHBondContact OD1-CB 3.37Å; N670-E672 PolarHBondContact OD1-N 2.76Å; N670-F673 WeakPolarHBondContact O-CD2 3.35Å; N670-F673 PolarHBondContact O-N 2.78Å; N670-F673 WeakPolarHBondContact OD1-CD2 3.49Å; N670-F673 WeakPolarHBondContact OD1-CE2 3.45Å
671E85.3Confident83.1Confident141 Ų14161.8 Ų61.866%0.65931%0.306SS*.G310 helixtrans-63.9-15.3-179.5-63.1-167.4150.900113.8F673 L674E671-F673 PolarHBondContact O-N 2.83Å; E671-L674 WeakPolarHBondContact O-CB 3.22Å; E671-L674 PolarHBondContact O-N 2.81Å
672E85.3Confident83.3Confident124 Ų12461.7 Ų61.758%0.57931%0.305SS*.G310 helixtrans-68.2-17.1179.4-54.7-174.1172.800113.8K52 N670 L674K52-E672 IonicContact NZ-OE2 2.69Å; K52-E672 PolarHBondContact NZ-OE2 3.46Å; N670-E672 PolarHBondContact O-N 2.88Å; N670-E672 VanDerWaalsContact O-N 3.1Å; N670-E672 WeakPolarHBondContact OD1-CB 3.37Å; N670-E672 PolarHBondContact OD1-N 2.76Å; E672-L674 VanDerWaalsContact C-N 3.31Å
673F86Confident83.6Confident17 Ų1764.5 Ų64.58%0.07531%0.313CS..G310 helixtrans-84.5-7.7174-59.5-69.5000112.9V656 L657 E660 L661 N670 E671V656-F673 WeakPolarHBondContact CA-O 3.46Å; L657-F673 PolarHBondContact N-O 2.78Å; E660-F673 HydrophobicContact CB-CD1 3.98Å; E660-F673 HydrophobicContact CB-CE1 3.84Å; L661-F673 HydrophobicContact CD1-CB 4.2Å; L661-F673 HydrophobicContact CD2-CB 3.86Å; L661-F673 HydrophobicContact CD2-CD1 3.98Å; L661-F673 HydrophobicContact CD2-CD2 3.34Å; L661-F673 HydrophobicContact CD2-CE1 4.36Å; L661-F673 HydrophobicContact CD2-CE2 3.78Å; L661-F673 HydrophobicContact CD2-CG 3.45Å; L661-F673 VanDerWaalsContact CD2-CG 3.45Å; L661-F673 HydrophobicContact CD2-CZ 4.27Å; L661-F673 HydrophobicContact CG-CB 3.93Å; L661-F673 HydrophobicContact CG-CD1 4.05Å; L661-F673 HydrophobicContact CG-CD2 4.23Å; L661-F673 HydrophobicContact CG-CG 3.81Å; N670-F673 WeakPolarHBondContact O-CD2 3.35Å; N670-F673 PolarHBondContact O-N 2.78Å; N670-F673 WeakPolarHBondContact OD1-CD2 3.49Å; N670-F673 WeakPolarHBondContact OD1-CE2 3.45Å; E671-F673 PolarHBondContact O-N 2.83Å
674L89.8Confident84.3Confident29 Ų2962.6 Ų62.615%0.15231%0.307CS..EExtended strand (participates in β ladder)trans-98.2136.2179.2-54.7173.1000109.9I345 W362 L364 Y646 V656 E671 E672I345-L674 HydrophobicContact CD1-CD2 3.73Å; W362-L674 HydrophobicContact CH2-CD1 3.94Å; W362-L674 HydrophobicContact CH2-CD2 3.71Å; W362-L674 HydrophobicContact CH2-CG 3.69Å; W362-L674 HydrophobicContact CZ2-CD1 4.31Å; W362-L674 HydrophobicContact CZ3-CD2 3.74Å; W362-L674 HydrophobicContact CZ3-CG 4.25Å; L364-L674 HydrophobicContact CD1-CD1 4.39Å; L364-L674 HydrophobicContact CD2-CD1 3.86Å; L364-L674 HydrophobicContact CD2-CD2 4.12Å; Y646-L674 HydrophobicContact CE1-CD2 4.42Å; V656-L674 HydrophobicContact CB-CD2 4.32Å; V656-L674 HydrophobicContact CG2-CD2 4.26Å; E671-L674 WeakPolarHBondContact O-CB 3.22Å; E671-L674 PolarHBondContact O-N 2.81Å; E672-L674 VanDerWaalsContact C-N 3.31Å
675L89.9Confident85.2Confident52 Ų5260.6 Ų60.627%0.27230%0.295SS..EExtended strand (participates in β ladder)trans-115.1122.6172.4-174.568.2000109.1T641 T643 Q654 G655T641-L675 HydrophobicContact CG2-CD2 3.87Å; T641-L675 VanDerWaalsContact OG1-CD2 3.31Å; T641-L675 WeakPolarHBondContact OG1-CD2 3.49Å; T643-L675 HydrophobicContact CG2-CD2 3.95Å; Q654-L675 WeakPolarHBondContact CA-O 3.49Å; G655-L675 PolarHBondContact N-O 2.81Å; G655-L675 PolarHBondContact O-N 3.39Å
676K91.1Very high86.3Confident118 Ų11862.8 Ų62.851%0.51330%0.301SS..EExtended strand (participates in β ladder)trans-114115.5172.7-63.9-177.5-177.1171.50108.7E652 Q654E652-K676 HydrophobicContact CG-CB 4.49Å; E652-K676 WeakPolarHBondContact OE1-CB 3.36Å; Q654-K676 HydrophobicContact CG-CG 4.46Å
677T91.3Very high87.4Confident15 Ų1561.2 Ų61.29%0.09229%0.289CS..EExtended strand (participates in β ladder)trans-121.3107.3-174.4-49.70000111.2M627 I639 E652 V653M627-T677 HydrophobicContact CE-CG2 3.69Å; I639-T677 HydrophobicContact CD1-CG2 3.42Å; I639-T677 VanDerWaalsContact CD1-CG2 3.42Å; I639-T677 HydrophobicContact CG1-CG2 4.41Å; E652-T677 WeakPolarHBondContact CA-O 3.26Å; V653-T677 PolarHBondContact N-O 3.37Å; V653-T677 PolarHBondContact O-N 3.2Å
678P91.1Very high88.2Confident33 Ų3357.5 Ų57.521%0.21427%0.27CS..EExtended strand (participates in β ladder)trans-71.2139.5174.328.1-33.3000111.6V682 R683P678-V682 HydrophobicContact CB-CB 3.96Å; P678-V682 HydrophobicContact CB-CG1 3.85Å; P678-R683 HydrophobicContact CB-CG 4.47Å; P678-R683 HydrophobicContact CG-CG 4.08Å; P678-R683 PolarHBondContact O-NE 2.79Å
679I91Very high88.5Confident3 Ų354.1 Ų54.12%0.01525%0.254CS..  trans-59155.4172.4-60.7-179.8000110I618 I629 E636 F648 L651 K681 V682 R683I618-I679 HydrophobicContact CG2-CD1 3.93Å; I629-I679 HydrophobicContact CG2-CG1 4.19Å; E636-I679 WeakPolarHBondContact OE1-CG2 3.2Å; F648-I679 HydrophobicContact CE2-CD1 3.56Å; F648-I679 HydrophobicContact CE2-CG1 3.9Å; F648-I679 HydrophobicContact CZ-CD1 3.46Å; F648-I679 VanDerWaalsContact CZ-CD1 3.46Å; F648-I679 HydrophobicContact CZ-CG1 3.87Å; L651-I679 HydrophobicContact CB-CB 4.47Å; L651-I679 HydrophobicContact CB-CD1 3.97Å; L651-I679 HydrophobicContact CB-CG1 4.37Å; L651-I679 HydrophobicContact CD2-CD1 3.9Å; L651-I679 WeakPolarHBondContact O-CG1 3.4Å; L651-I679 PolarHBondContact O-N 3.34Å; I679-K681 PolarHBondContact O-N 3.39Å; I679-V682 PolarHBondContact O-N 2.81Å; I679-R683 PolarHBondContact O-N 2.85Å
680K89.6Confident88.6Confident103 Ų10361.5 Ų61.545%0.44829%0.289SS..Hα-helixtrans-47.5-42.2174.7-175.7-177.3173-170.80113.3E636 V682 R683 D684E636-K680 VanDerWaalsContact CD-N 3.33Å; E636-K680 HydrophobicContact CG-CB 4.23Å; E636-K680 WeakPolarHBondContact OE1-CB 3.46Å; E636-K680 PolarHBondContact OE1-N 2.85Å; E636-K680 WeakPolarHBondContact OE2-CB 3.37Å; E636-K680 PolarHBondContact OE2-N 2.86Å; K680-V682 VanDerWaalsContact C-N 3.27Å; K680-V682 PolarHBondContact O-N 2.92Å; K680-R683 CarbonylContact O-C 3.49Å; K680-R683 WeakPolarHBondContact O-CA 3.41Å; K680-R683 WeakPolarHBondContact O-CB 3.47Å; K680-R683 PolarHBondContact O-N 3.41Å; K680-D684 VanDerWaalsContact CE-OD2 3.23Å; K680-D684 WeakPolarHBondContact CE-OD2 3.38Å; K680-D684 WeakPolarHBondContact CG-OD2 3.49Å; K680-D684 WeakPolarHBondContact O-CB 3.11Å; K680-D684 PolarHBondContact O-N 3.07Å
681K87.9Confident88.7Confident50 Ų5066.9 Ų66.922%0.21731%0.309CS..Hα-helixtrans-53.4-41.6177.5-71.3179.4-176.8166.30113D631 I679 F685D631-K681 VanDerWaalsContact OD2-CE 3.27Å; D631-K681 WeakPolarHBondContact OD2-CE 3.5Å; D631-K681 IonicContact OD2-NZ 3.52Å; D631-K681 PolarHBondContact OD2-NZ 3.17Å; I679-K681 PolarHBondContact O-N 3.39Å; K681-F685 WeakPolarHBondContact O-CB 3.44Å; K681-F685 PolarHBondContact O-N 2.85Å
682V89.1Confident88.5Confident1 Ų164 Ų641%0.00630%0.298CS..Hα-helixtrans-72.4-37.8177.5176.40000111L651 P678 I679 K680 K686 L709 L712L651-V682 HydrophobicContact CB-CG2 3.56Å; L651-V682 HydrophobicContact CD1-CG2 3.85Å; L651-V682 HydrophobicContact CG-CG2 4.39Å; P678-V682 HydrophobicContact CB-CB 3.96Å; P678-V682 HydrophobicContact CB-CG1 3.85Å; I679-V682 PolarHBondContact O-N 2.81Å; K680-V682 VanDerWaalsContact C-N 3.27Å; K680-V682 PolarHBondContact O-N 2.92Å; V682-K686 WeakPolarHBondContact O-CG 3.46Å; V682-K686 PolarHBondContact O-N 3.1Å; V682-L709 HydrophobicContact CG2-CD2 4.01Å; V682-L712 HydrophobicContact CG1-CD1 3.92Å
683R88.4Confident88.5Confident86 Ų8659.1 Ų59.133%0.32528%0.282SS..Hα-helixtrans-65.9-46.8177.6-67-176.4-81.7163.2-4.5111.8E636 P678 I679 K680 F685 K686 Q687E636-R683 IonicContact OE2-NH2 2.8Å; E636-R683 PolarHBondContact OE2-NH2 2.83Å; P678-R683 HydrophobicContact CB-CG 4.47Å; P678-R683 HydrophobicContact CG-CG 4.08Å; P678-R683 PolarHBondContact O-NE 2.79Å; I679-R683 PolarHBondContact O-N 2.85Å; K680-R683 CarbonylContact O-C 3.49Å; K680-R683 WeakPolarHBondContact O-CA 3.41Å; K680-R683 WeakPolarHBondContact O-CB 3.47Å; K680-R683 PolarHBondContact O-N 3.41Å; R683-F685 VanDerWaalsContact C-N 3.35Å; R683-K686 PolarHBondContact O-N 3.19Å; R683-Q687 WeakPolarHBondContact O-CG 3.41Å; R683-Q687 PolarHBondContact O-N 3.29Å
684D89.1Confident88.6Confident54 Ų5459.4 Ų59.429%0.28928%0.284SS..Hα-helixtrans-62.4-44.7176.5-66.9-6000109.9K680 K686 Q687 I688K680-D684 VanDerWaalsContact CE-OD2 3.23Å; K680-D684 WeakPolarHBondContact CE-OD2 3.38Å; K680-D684 WeakPolarHBondContact CG-OD2 3.49Å; K680-D684 WeakPolarHBondContact O-CB 3.11Å; K680-D684 PolarHBondContact O-N 3.07Å; D684-K686 PolarHBondContact O-N 3.23Å; D684-Q687 WeakPolarHBondContact O-CB 3.37Å; D684-Q687 PolarHBondContact O-N 3.12Å; D684-Q687 VanDerWaalsContact O-N 3.15Å; D684-I688 VanDerWaalsContact O-CG1 3.29Å; D684-I688 WeakPolarHBondContact O-CG1 3.32Å; D684-I688 PolarHBondContact O-N 2.86Å
685F90.9Very high88.4Confident0 Ų065.5 Ų65.50%031%0.312CS..Hα-helixtrans-59.6-43.8176.1-177.8-108.8000113.2K681 R683 Q687 I688 L689 A697 F700 I701 L709 L712 F713K681-F685 WeakPolarHBondContact O-CB 3.44Å; K681-F685 PolarHBondContact O-N 2.85Å; R683-F685 VanDerWaalsContact C-N 3.35Å; F685-Q687 VanDerWaalsContact C-N 3.34Å; F685-Q687 PolarHBondContact O-N 3.16Å; F685-I688 PolarHBondContact O-N 3.02Å; F685-L689 HydrophobicContact CD1-CD1 3.81Å; F685-L689 HydrophobicContact CD1-CG 4.49Å; F685-L689 HydrophobicContact CE1-CD1 3.28Å; F685-L689 HydrophobicContact CE1-CG 4.02Å; F685-L689 HydrophobicContact CE2-CG 4.4Å; F685-L689 HydrophobicContact CZ-CD1 3.67Å; F685-L689 HydrophobicContact CZ-CD2 4.31Å; F685-L689 HydrophobicContact CZ-CG 3.94Å; F685-L689 PolarHBondContact O-N 3.23Å; F685-A697 HydrophobicContact CE2-CB 3.86Å; F685-A697 HydrophobicContact CZ-CB 4.4Å; F685-F700 HydrophobicContact CB-CD1 4.15Å; F685-F700 HydrophobicContact CB-CE1 3.89Å; F685-F700 HydrophobicContact CD2-CB 4.46Å; F685-F700 AromaticContact CD2-CD1 3.56Å; F685-F700 HydrophobicContact CD2-CD1 3.56Å; F685-F700 HydrophobicContact CD2-CE1 4.16Å; F685-F700 HydrophobicContact CD2-CG 4.27Å; F685-F700 HydrophobicContact CE2-CD1 4.44Å; F685-F700 HydrophobicContact CG-CD1 4.27Å; F685-F700 HydrophobicContact CG-CE1 4.43Å; F685-I701 HydrophobicContact CD2-CG1 4.45Å; F685-I701 HydrophobicContact CE2-CD1 3.77Å; F685-I701 HydrophobicContact CE2-CG1 3.64Å; F685-I701 HydrophobicContact CZ-CD1 3.76Å; F685-I701 HydrophobicContact CZ-CG1 4.04Å; F685-L709 HydrophobicContact CB-CD2 3.9Å; F685-L709 HydrophobicContact CD1-CD2 3.79Å; F685-L709 WeakPolarHBondContact CE1-O 3.47Å; F685-L709 HydrophobicContact CG-CD2 3.86Å; F685-L712 HydrophobicContact CD1-CB 4.24Å; F685-L712 HydrophobicContact CD1-CD1 4.29Å; F685-L712 HydrophobicContact CE1-CB 3.7Å; F685-F713 HydrophobicContact CE2-CD2 4.42Å; F685-F713 HydrophobicContact CZ-CB 3.87Å; F685-F713 AromaticContact CZ-CD2 3.95Å; F685-F713 HydrophobicContact CZ-CD2 3.95Å; F685-F713 HydrophobicContact CZ-CG 4.4Å
686K88.9Confident88.3Confident100 Ų10068 Ų6844%0.43532%0.32SS..Hα-helixtrans-61.5-40.9174-76.2-176.7176.9-172.30112V682 R683 D684 L689 E690V682-K686 WeakPolarHBondContact O-CG 3.46Å; V682-K686 PolarHBondContact O-N 3.1Å; R683-K686 PolarHBondContact O-N 3.19Å; D684-K686 PolarHBondContact O-N 3.23Å; K686-L689 PolarHBondContact O-N 2.78Å; K686-E690 WeakPolarHBondContact O-CG 3.33Å; K686-E690 PolarHBondContact O-N 2.85Å; K686-E690 VanDerWaalsContact O-N 3.08Å
687Q89.5Confident88.2Confident102 Ų10262.3 Ų62.348%0.47730%0.296SS..Hα-helixtrans-64.9-38.9175.8-71.7-178.414.100112.6R683 D684 F685 E690 K691R683-Q687 WeakPolarHBondContact O-CG 3.41Å; R683-Q687 PolarHBondContact O-N 3.29Å; D684-Q687 WeakPolarHBondContact O-CB 3.37Å; D684-Q687 PolarHBondContact O-N 3.12Å; D684-Q687 VanDerWaalsContact O-N 3.15Å; F685-Q687 VanDerWaalsContact C-N 3.34Å; F685-Q687 PolarHBondContact O-N 3.16Å; Q687-E690 PolarHBondContact O-N 2.9Å; Q687-K691 WeakPolarHBondContact O-CB 3.46Å; Q687-K691 PolarHBondContact O-N 3.2Å
688I90.3Very high88Confident30 Ų3062.6 Ų62.615%0.15430%0.298CS..Hα-helixtrans-64.4-44.7175.3-66.3164.7000110D684 F685 E690 K691 D692 G693 K696 A697 F700D684-I688 VanDerWaalsContact O-CG1 3.29Å; D684-I688 WeakPolarHBondContact O-CG1 3.32Å; D684-I688 PolarHBondContact O-N 2.86Å; F685-I688 PolarHBondContact O-N 3.02Å; I688-E690 VanDerWaalsContact C-N 3.28Å; I688-E690 PolarHBondContact O-N 2.94Å; I688-K691 PolarHBondContact O-N 2.66Å; I688-D692 HydrophobicContact CG2-CB 3.91Å; I688-D692 WeakPolarHBondContact O-CA 3.1Å; I688-D692 VanDerWaalsContact O-CB 3.31Å; I688-D692 WeakPolarHBondContact O-CB 3.35Å; I688-D692 PolarHBondContact O-N 2.84Å; I688-G693 PolarHBondContact O-N 3.35Å; I688-K696 HydrophobicContact CG2-CB 4.03Å; I688-A697 HydrophobicContact CG2-CB 4.06Å; I688-F700 HydrophobicContact CD1-CB 4.29Å; I688-F700 HydrophobicContact CD1-CD2 3.55Å; I688-F700 HydrophobicContact CD1-CE2 4.02Å; I688-F700 HydrophobicContact CD1-CG 3.97Å
689L86.8Confident87.9Confident21 Ų2167 Ų6711%0.1132%0.316CS..Hα-helixtrans-58.2-38.9176.6-83171.8000113F685 K686 L694 A697 F713 A716F685-L689 HydrophobicContact CD1-CD1 3.81Å; F685-L689 HydrophobicContact CD1-CG 4.49Å; F685-L689 HydrophobicContact CE1-CD1 3.28Å; F685-L689 HydrophobicContact CE1-CG 4.02Å; F685-L689 HydrophobicContact CE2-CG 4.4Å; F685-L689 HydrophobicContact CZ-CD1 3.67Å; F685-L689 HydrophobicContact CZ-CD2 4.31Å; F685-L689 HydrophobicContact CZ-CG 3.94Å; F685-L689 PolarHBondContact O-N 3.23Å; K686-L689 PolarHBondContact O-N 2.78Å; L689-L694 HydrophobicContact CD2-CD2 4.05Å; L689-A697 HydrophobicContact CD2-CB 3.74Å; L689-A697 HydrophobicContact CG-CB 4.15Å; L689-F713 HydrophobicContact CD2-CD2 4.21Å; L689-A716 HydrophobicContact CD1-CB 4.23Å; L689-A716 HydrophobicContact CD2-CB 3.66Å
690E84.8Confident87.8Confident160 Ų16068.6 Ų68.675%0.74832%0.323SS*.Hα-helixtrans-75.3-44.6179.2-74.5176.3-175.400113.3K686 Q687 I688K686-E690 WeakPolarHBondContact O-CG 3.33Å; K686-E690 PolarHBondContact O-N 2.85Å; K686-E690 VanDerWaalsContact O-N 3.08Å; Q687-E690 PolarHBondContact O-N 2.9Å; I688-E690 VanDerWaalsContact C-N 3.28Å; I688-E690 PolarHBondContact O-N 2.94Å
691K86.7Confident87.7Confident165 Ų16563.7 Ų63.772%0.71730%0.302SS*.Hα-helixtrans-96.2-38.3-170.3-68.5-176.6177177.30114.8Q687 I688Q687-K691 WeakPolarHBondContact O-CB 3.46Å; Q687-K691 PolarHBondContact O-N 3.2Å; I688-K691 PolarHBondContact O-N 2.66Å
692D81.9Confident87.6Confident80 Ų8066 Ų6643%0.42832%0.316SS..THydrogen-bonded Turntrans-109.2-15-160.4-90.3-39.8000113.2I688 K696I688-D692 HydrophobicContact CG2-CB 3.91Å; I688-D692 WeakPolarHBondContact O-CA 3.1Å; I688-D692 VanDerWaalsContact O-CB 3.31Å; I688-D692 WeakPolarHBondContact O-CB 3.35Å; I688-D692 PolarHBondContact O-N 2.84Å; D692-K696 HydrophobicContact CB-CB 4.15Å; D692-K696 HydrophobicContact CB-CD 3.5Å; D692-K696 VanDerWaalsContact CB-CD 3.5Å; D692-K696 HydrophobicContact CB-CG 4.47Å; D692-K696 IonicContact OD1-NZ 2.77Å; D692-K696 PolarHBondContact OD1-NZ 2.96Å; D692-K696 IonicContact OD2-NZ 2.67Å
693G84.1Confident87.5Confident23 Ų2372 Ų7224%0.23735%0.349CS..  trans90.3179.2175.200000114.7I688 E695 A697I688-G693 PolarHBondContact O-N 3.35Å; G693-E695 PolarHBondContact O-N 3.32Å; G693-A697 WeakPolarHBondContact O-CB 3.3Å; G693-A697 PolarHBondContact O-N 3Å
694L87.8Confident87.3Confident22 Ų2270.1 Ų70.112%0.11535%0.345CS..Hα-helixtrans-71.7-26.7-171.4-66.6174.8000113.5L689 S698 F713 A716 K720 N722L689-L694 HydrophobicContact CD2-CD2 4.05Å; L694-S698 PolarHBondContact O-N 3.45Å; L694-F713 HydrophobicContact CB-CE2 4.47Å; L694-F713 HydrophobicContact CD2-CE2 4.24Å; L694-F713 VanDerWaalsContact O-CE2 3.28Å; L694-F713 WeakPolarHBondContact O-CE2 3.48Å; L694-A716 HydrophobicContact CD2-CB 4.17Å; L694-K720 HydrophobicContact CD1-CB 4.45Å; L694-K720 HydrophobicContact CD1-CD 3.92Å; L694-K720 HydrophobicContact CD2-CD 4.38Å; L694-K720 HydrophobicContact CG-CD 4.09Å; L694-N722 HydrophobicContact CD1-CB 4.18Å
695E86.2Confident87.1Confident158 Ų15872 Ų7274%0.73836%0.36SS*.Hα-helixtrans-69.8-54.1-176.8-67.5173.317800111.6G693 A697 S698 E699G693-E695 PolarHBondContact O-N 3.32Å; E695-A697 VanDerWaalsContact C-N 3.27Å; E695-A697 PolarHBondContact O-N 3.31Å; E695-S698 WeakPolarHBondContact O-CA 3.48Å; E695-S698 VanDerWaalsContact O-CB 3.25Å; E695-S698 WeakPolarHBondContact O-CB 3.4Å; E695-S698 PolarHBondContact O-N 3.44Å; E695-E699 PolarHBondContact O-N 3.46Å; E695-E699 VanDerWaalsContact O-N 3.12Å
696K87.9Confident86.8Confident103 Ų10373.6 Ų73.645%0.44837%0.367SS..Hα-helixtrans-61.2-35.4174.5-74.7176.7169.9-171.50112.7I688 D692 S698 E699 F700I688-K696 HydrophobicContact CG2-CB 4.03Å; D692-K696 HydrophobicContact CB-CB 4.15Å; D692-K696 HydrophobicContact CB-CD 3.5Å; D692-K696 VanDerWaalsContact CB-CD 3.5Å; D692-K696 HydrophobicContact CB-CG 4.47Å; D692-K696 IonicContact OD1-NZ 2.77Å; D692-K696 PolarHBondContact OD1-NZ 2.96Å; D692-K696 IonicContact OD2-NZ 2.67Å; K696-S698 VanDerWaalsContact C-N 3.28Å; K696-S698 PolarHBondContact O-N 3Å; K696-E699 PolarHBondContact O-N 2.98Å; K696-F700 PolarHBondContact O-N 3.42Å
697A88.7Confident86.6Confident0 Ų072.1 Ų72.10%037%0.367CS..Hα-helixtrans-63.8-34.5173.500000111.8F685 I688 L689 G693 E695 F700 I701 F713F685-A697 HydrophobicContact CE2-CB 3.86Å; F685-A697 HydrophobicContact CZ-CB 4.4Å; I688-A697 HydrophobicContact CG2-CB 4.06Å; L689-A697 HydrophobicContact CD2-CB 3.74Å; L689-A697 HydrophobicContact CG-CB 4.15Å; G693-A697 WeakPolarHBondContact O-CB 3.3Å; G693-A697 PolarHBondContact O-N 3Å; E695-A697 VanDerWaalsContact C-N 3.27Å; E695-A697 PolarHBondContact O-N 3.31Å; A697-F700 PolarHBondContact O-N 3.3Å; A697-I701 WeakPolarHBondContact O-CG1 3.3Å; A697-I701 PolarHBondContact O-N 3.4Å; A697-I701 VanDerWaalsContact O-N 3.16Å; A697-F713 HydrophobicContact CB-CD2 3.91Å; A697-F713 HydrophobicContact CB-CE2 3.73Å
698S87.5Confident86.4Confident21 Ų2169 Ų6915%0.14735%0.352CS..Hα-helixtrans-67.2-40.1173.6-170.50000112.3L694 E695 K696 F700 I701 N702L694-S698 PolarHBondContact O-N 3.45Å; E695-S698 WeakPolarHBondContact O-CA 3.48Å; E695-S698 VanDerWaalsContact O-CB 3.25Å; E695-S698 WeakPolarHBondContact O-CB 3.4Å; E695-S698 PolarHBondContact O-N 3.44Å; K696-S698 VanDerWaalsContact C-N 3.28Å; K696-S698 PolarHBondContact O-N 3Å; S698-F700 VanDerWaalsContact C-N 3.35Å; S698-I701 PolarHBondContact O-N 3.23Å; S698-N702 PolarHBondContact O-N 3.34Å; S698-N702 PolarHBondContact O-ND2 2.86Å
699E88.5Confident86.3Confident125 Ų12567.7 Ų67.758%0.58435%0.345SS*.Hα-helixtrans-60.2-46.2174.2-66.2175.617100110.5E695 K696 I701 N702 D703E695-E699 PolarHBondContact O-N 3.46Å; E695-E699 VanDerWaalsContact O-N 3.12Å; K696-E699 PolarHBondContact O-N 2.98Å; E699-I701 VanDerWaalsContact C-N 3.33Å; E699-I701 PolarHBondContact O-N 2.56Å; E699-N702 WeakPolarHBondContact O-CB 3.4Å; E699-N702 PolarHBondContact O-N 3.19Å; E699-N702 VanDerWaalsContact O-N 3.11Å; E699-D703 PolarHBondContact O-N 3.5Å; E699-D703 VanDerWaalsContact O-N 3.11Å
700F89.3Confident86.5Confident36 Ų3668.1 Ų68.116%0.15835%0.345CS..Hα-helixtrans-60.5-37.8178.9-170.9-88.5000113.7F685 I688 K696 A697 S698 D703 N704 L709F685-F700 HydrophobicContact CB-CD1 4.15Å; F685-F700 HydrophobicContact CB-CE1 3.89Å; F685-F700 HydrophobicContact CD2-CB 4.46Å; F685-F700 AromaticContact CD2-CD1 3.56Å; F685-F700 HydrophobicContact CD2-CD1 3.56Å; F685-F700 HydrophobicContact CD2-CE1 4.16Å; F685-F700 HydrophobicContact CD2-CG 4.27Å; F685-F700 HydrophobicContact CE2-CD1 4.44Å; F685-F700 HydrophobicContact CG-CD1 4.27Å; F685-F700 HydrophobicContact CG-CE1 4.43Å; I688-F700 HydrophobicContact CD1-CB 4.29Å; I688-F700 HydrophobicContact CD1-CD2 3.55Å; I688-F700 HydrophobicContact CD1-CE2 4.02Å; I688-F700 HydrophobicContact CD1-CG 3.97Å; K696-F700 PolarHBondContact O-N 3.42Å; A697-F700 PolarHBondContact O-N 3.3Å; S698-F700 VanDerWaalsContact C-N 3.35Å; F700-D703 PolarHBondContact O-N 3.43Å; F700-N704 HydrophobicContact CE1-CB 4.32Å; F700-N704 WeakPolarHBondContact O-CB 3.44Å; F700-N704 PolarHBondContact O-N 3.43Å; F700-N704 PolarHBondContact O-ND2 2.92Å; F700-L709 HydrophobicContact CE1-CD1 4.23Å
701I88.3Confident86.6Confident0 Ų064 Ų640%033%0.325CS..Hα-helixtrans-68.7-35.5176.9-69.3164.9000111.6F685 A697 S698 E699 D703 N704 P705 L709 R710 F713F685-I701 HydrophobicContact CD2-CG1 4.45Å; F685-I701 HydrophobicContact CE2-CD1 3.77Å; F685-I701 HydrophobicContact CE2-CG1 3.64Å; F685-I701 HydrophobicContact CZ-CD1 3.76Å; F685-I701 HydrophobicContact CZ-CG1 4.04Å; A697-I701 WeakPolarHBondContact O-CG1 3.3Å; A697-I701 PolarHBondContact O-N 3.4Å; A697-I701 VanDerWaalsContact O-N 3.16Å; S698-I701 PolarHBondContact O-N 3.23Å; E699-I701 VanDerWaalsContact C-N 3.33Å; E699-I701 PolarHBondContact O-N 2.56Å; I701-D703 VanDerWaalsContact C-N 3.3Å; I701-N704 CarbonylContact O-C 3.56Å; I701-N704 PolarHBondContact O-N 3.24Å; I701-P705 WeakPolarHBondContact O-CA 3.25Å; I701-P705 VanDerWaalsContact O-N 3.15Å; I701-L709 HydrophobicContact CG1-CB 4.45Å; I701-R710 HydrophobicContact CG2-CG 3.77Å; I701-F713 HydrophobicContact CD1-CB 3.41Å; I701-F713 VanDerWaalsContact CD1-CB 3.41Å; I701-F713 HydrophobicContact CD1-CD1 4.17Å; I701-F713 HydrophobicContact CD1-CD2 3.43Å; I701-F713 VanDerWaalsContact CD1-CD2 3.43Å; I701-F713 HydrophobicContact CD1-CE2 4.17Å; I701-F713 HydrophobicContact CD1-CG 3.39Å
702N85.9Confident86.7Confident98 Ų9857.6 Ų57.652%0.52430%0.299SS..Hα-helixtrans-66.4-37.3176.4-69.5-24.9000110.9S698 E699S698-N702 PolarHBondContact O-N 3.34Å; S698-N702 PolarHBondContact O-ND2 2.86Å; E699-N702 WeakPolarHBondContact O-CB 3.4Å; E699-N702 PolarHBondContact O-N 3.19Å; E699-N702 VanDerWaalsContact O-N 3.11Å
703D86.5Confident87.1Confident129 Ų12953.8 Ų53.869%0.6928%0.278SS*.Hα-helixtrans-74-30.4175.4-67.1-18.1000112.8E699 F700 I701E699-D703 PolarHBondContact O-N 3.5Å; E699-D703 VanDerWaalsContact O-N 3.11Å; F700-D703 PolarHBondContact O-N 3.43Å; I701-D703 VanDerWaalsContact C-N 3.3Å
704N84.4Confident87.4Confident46 Ų4652.8 Ų52.825%0.24627%0.268CS..SBendtrans-128.372.5-178.3-62.8-89.3000111.1F700 I701 H706 L709F700-N704 HydrophobicContact CE1-CB 4.32Å; F700-N704 WeakPolarHBondContact O-CB 3.44Å; F700-N704 PolarHBondContact O-N 3.43Å; F700-N704 PolarHBondContact O-ND2 2.92Å; I701-N704 CarbonylContact O-C 3.56Å; I701-N704 PolarHBondContact O-N 3.24Å; N704-H706 PolarHBondContact O-N 3.34Å; N704-H706 VanDerWaalsContact O-N 3.08Å; N704-L709 HydrophobicContact CB-CD1 4.18Å; N704-L709 WeakPolarHBondContact O-CD1 3.38Å
705P83.4Confident87.5Confident92 Ų9255.9 Ų55.960%0.59728%0.281SS*.  trans-67.3112.3-176.826.5-33.8000110.7I701I701-P705 WeakPolarHBondContact O-CA 3.25Å; I701-P705 VanDerWaalsContact O-N 3.15Å
706H85.3Confident87.6Confident35 Ų3549 Ų4916%0.16225%0.252CS..  trans-149141.3176.2-168.7-75.4000111.3L651 N704 K708 L709 R710L651-H706 HydrophobicContact CD1-CB 4.06Å; N704-H706 PolarHBondContact O-N 3.34Å; N704-H706 VanDerWaalsContact O-N 3.08Å; H706-K708 WeakPolarHBondContact ND1-CB 3.37Å; H706-K708 PolarHBondContact ND1-N 3.25Å; H706-K708 PolarHBondContact O-N 3.08Å; H706-L709 HydrophobicContact CB-CB 4.4Å; H706-L709 HydrophobicContact CB-CD1 4.1Å; H706-L709 HydrophobicContact CB-CG 4.13Å; H706-L709 PolarHBondContact O-N 3.23Å; H706-R710 PolarHBondContact O-N 2.94Å; H706-R710 VanDerWaalsContact O-N 3.09Å
707T85.8Confident87.8Confident68 Ų6844.1 Ų44.142%0.41723%0.231SC..Hα-helixtrans-56.2-51.2-177.752.60000112.3L709 R710 H711 L733T707-L709 PolarHBondContact O-N 3.27Å; T707-R710 WeakPolarHBondContact O-CB 3.47Å; T707-R710 PolarHBondContact O-N 3.05Å; T707-R710 VanDerWaalsContact O-N 3.15Å; T707-H711 PolarHBondContact O-CD2 2.85Å; T707-H711 PolarHBondContact O-N 2.82Å; T707-L733 HydrophobicContact CG2-CD2 4Å
708K84.7Confident87.9Confident38 Ų3844.1 Ų44.117%0.16523%0.231CC..Hα-helixtrans-56.1-43.7175.9-173.5172.4-170.71620114.4N650 E652 H706 R710 H711 L712N650-K708 HydrophobicContact CB-CB 4.29Å; N650-K708 HydrophobicContact CB-CD 3.93Å; N650-K708 WeakPolarHBondContact O-CD 3.3Å; N650-K708 WeakPolarHBondContact O-CE 3.41Å; N650-K708 PolarHBondContact O-NZ 2.97Å; E652-K708 IonicContact OE2-NZ 3.75Å; E652-K708 PolarHBondContact OE2-NZ 2.93Å; H706-K708 WeakPolarHBondContact ND1-CB 3.37Å; H706-K708 PolarHBondContact ND1-N 3.25Å; H706-K708 PolarHBondContact O-N 3.08Å; K708-R710 VanDerWaalsContact C-N 3.3Å; K708-R710 PolarHBondContact O-N 3.07Å; K708-H711 PolarHBondContact O-N 3.43Å; K708-L712 HydrophobicContact CG-CD1 4.24Å; K708-L712 WeakPolarHBondContact O-CG 3.44Å; K708-L712 PolarHBondContact O-N 2.88Å
709L88.5Confident87.9Confident1 Ų149.1 Ų49.11%0.00525%0.252CS..Hα-helixtrans-65-39.1178.9-64.2178.9000110.6L651 V682 F685 F700 I701 N704 H706 T707 L712 F713L651-L709 HydrophobicContact CD1-CD1 4.16Å; L651-L709 HydrophobicContact CD1-CD2 4.28Å; L651-L709 HydrophobicContact CD1-CG 3.95Å; V682-L709 HydrophobicContact CG2-CD2 4.01Å; F685-L709 HydrophobicContact CB-CD2 3.9Å; F685-L709 HydrophobicContact CD1-CD2 3.79Å; F685-L709 WeakPolarHBondContact CE1-O 3.47Å; F685-L709 HydrophobicContact CG-CD2 3.86Å; F700-L709 HydrophobicContact CE1-CD1 4.23Å; I701-L709 HydrophobicContact CG1-CB 4.45Å; N704-L709 HydrophobicContact CB-CD1 4.18Å; N704-L709 WeakPolarHBondContact O-CD1 3.38Å; H706-L709 HydrophobicContact CB-CB 4.4Å; H706-L709 HydrophobicContact CB-CD1 4.1Å; H706-L709 HydrophobicContact CB-CG 4.13Å; H706-L709 PolarHBondContact O-N 3.23Å; T707-L709 PolarHBondContact O-N 3.27Å; L709-L712 PolarHBondContact O-N 2.81Å; L709-F713 WeakPolarHBondContact O-CB 3.38Å; L709-F713 PolarHBondContact O-N 2.82Å
710R90.1Very high87.8Confident31 Ų3149 Ų4912%0.11725%0.25CC..Hα-helixtrans-64.3-41.9173.2-67.6-177-170.7-87.80.8112.4I701 H706 T707 K708 F713 I714 H732 L733I701-R710 HydrophobicContact CG2-CG 3.77Å; H706-R710 PolarHBondContact O-N 2.94Å; H706-R710 VanDerWaalsContact O-N 3.09Å; T707-R710 WeakPolarHBondContact O-CB 3.47Å; T707-R710 PolarHBondContact O-N 3.05Å; T707-R710 VanDerWaalsContact O-N 3.15Å; K708-R710 VanDerWaalsContact C-N 3.3Å; K708-R710 PolarHBondContact O-N 3.07Å; R710-F713 WeakPolarHBondContact O-CB 3.3Å; R710-F713 PolarHBondContact O-N 2.71Å; R710-I714 WeakPolarHBondContact O-CB 3.26Å; R710-I714 VanDerWaalsContact O-CG1 3.25Å; R710-I714 WeakPolarHBondContact O-CG1 3.44Å; R710-I714 PolarHBondContact O-N 3.05Å; R710-H732 PolarHBondContact NH1-CD2 2.81Å; R710-L733 HydrophobicContact CB-CD1 3.85Å; R710-L733 HydrophobicContact CB-CD2 4.06Å; R710-L733 HydrophobicContact CB-CG 4.09Å
711H88Confident87.7Confident73 Ų7349.8 Ų49.834%0.33825%0.254SS..Hα-helixtrans-62.1-46.8174.4-75.4-65.2000112.1T707 K708 F713 I714 E715 E735T707-H711 PolarHBondContact O-CD2 2.85Å; T707-H711 PolarHBondContact O-N 2.82Å; K708-H711 PolarHBondContact O-N 3.43Å; H711-F713 PolarHBondContact O-N 2.99Å; H711-I714 WeakPolarHBondContact O-CB 3.46Å; H711-I714 PolarHBondContact O-N 3.4Å; H711-I714 VanDerWaalsContact O-N 3.13Å; H711-E715 WeakPolarHBondContact O-CG 3.31Å; H711-E715 PolarHBondContact O-N 2.99Å; H711-E735 IonicContact CE1-OE2 2.86Å; H711-E735 PolarHBondContact CE1-OE2 3.04Å
712L87.7Confident87.8Confident30 Ų3052.3 Ų52.316%0.15727%0.267CS..Hα-helixtrans-59.7-36.3175.3-72.7171.3000112.1V682 F685 K708 L709 A716V682-L712 HydrophobicContact CG1-CD1 3.92Å; F685-L712 HydrophobicContact CD1-CB 4.24Å; F685-L712 HydrophobicContact CD1-CD1 4.29Å; F685-L712 HydrophobicContact CE1-CB 3.7Å; K708-L712 HydrophobicContact CG-CD1 4.24Å; K708-L712 WeakPolarHBondContact O-CG 3.44Å; K708-L712 PolarHBondContact O-N 2.88Å; L709-L712 PolarHBondContact O-N 2.81Å; L712-A716 PolarHBondContact O-N 2.99Å; L712-A716 VanDerWaalsContact O-N 3.11Å
713F91Very high88Confident0 Ų048.5 Ų48.50%025%0.247CC..Hα-helixtrans-66.8-45.7173.6-169.7-98.2000112.5F685 L689 L694 A697 I701 L709 R710 H711 E715 A716 C717 M725 Q729F685-F713 HydrophobicContact CE2-CD2 4.42Å; F685-F713 HydrophobicContact CZ-CB 3.87Å; F685-F713 AromaticContact CZ-CD2 3.95Å; F685-F713 HydrophobicContact CZ-CD2 3.95Å; F685-F713 HydrophobicContact CZ-CG 4.4Å; L689-F713 HydrophobicContact CD2-CD2 4.21Å; L694-F713 HydrophobicContact CB-CE2 4.47Å; L694-F713 HydrophobicContact CD2-CE2 4.24Å; L694-F713 VanDerWaalsContact O-CE2 3.28Å; L694-F713 WeakPolarHBondContact O-CE2 3.48Å; A697-F713 HydrophobicContact CB-CD2 3.91Å; A697-F713 HydrophobicContact CB-CE2 3.73Å; I701-F713 HydrophobicContact CD1-CB 3.41Å; I701-F713 VanDerWaalsContact CD1-CB 3.41Å; I701-F713 HydrophobicContact CD1-CD1 4.17Å; I701-F713 HydrophobicContact CD1-CD2 3.43Å; I701-F713 VanDerWaalsContact CD1-CD2 3.43Å; I701-F713 HydrophobicContact CD1-CE2 4.17Å; I701-F713 HydrophobicContact CD1-CG 3.39Å; L709-F713 WeakPolarHBondContact O-CB 3.38Å; L709-F713 PolarHBondContact O-N 2.82Å; R710-F713 WeakPolarHBondContact O-CB 3.3Å; R710-F713 PolarHBondContact O-N 2.71Å; H711-F713 PolarHBondContact O-N 2.99Å; F713-E715 VanDerWaalsContact C-N 3.28Å; F713-E715 PolarHBondContact O-N 3.2Å; F713-A716 PolarHBondContact O-N 3.12Å; F713-C717 VanDerWaalsContact CD1-SG 3.54Å; F713-C717 WeakPolarHBondContact CE1-SG 3.44Å; F713-C717 WeakPolarHBondContact O-CB 3.47Å; F713-C717 PolarHBondContact O-N 2.87Å; F713-C717 PolarHBondContact O-SG 2.87Å; F713-C717 VanDerWaalsContact O-SG 3.35Å; F713-M725 HydrophobicContact CE1-CB 4.25Å; F713-M725 HydrophobicContact CZ-CE 4.05Å; F713-Q729 HydrophobicContact CD1-CG 3.48Å; F713-Q729 VanDerWaalsContact CD1-CG 3.48Å; F713-Q729 HydrophobicContact CE1-CG 3.76Å
714I90.5Very high88.2Confident3 Ų349.5 Ų49.52%0.01525%0.247CC..Hα-helixtrans-58.4-44.2176.1-74.2164.9000110R710 H711 A716 C717 L718 Q729 F730 L733R710-I714 WeakPolarHBondContact O-CB 3.26Å; R710-I714 VanDerWaalsContact O-CG1 3.25Å; R710-I714 WeakPolarHBondContact O-CG1 3.44Å; R710-I714 PolarHBondContact O-N 3.05Å; H711-I714 WeakPolarHBondContact O-CB 3.46Å; H711-I714 PolarHBondContact O-N 3.4Å; H711-I714 VanDerWaalsContact O-N 3.13Å; I714-A716 PolarHBondContact O-N 2.72Å; I714-C717 PolarHBondContact O-N 2.53Å; I714-L718 HydrophobicContact CG2-CD1 3.79Å; I714-L718 HydrophobicContact CG2-CG 4.23Å; I714-L718 WeakPolarHBondContact O-CB 3.18Å; I714-L718 VanDerWaalsContact O-CG 3.29Å; I714-L718 WeakPolarHBondContact O-CG 3.34Å; I714-L718 PolarHBondContact O-N 3.25Å; I714-Q729 HydrophobicContact CD1-CB 3.75Å; I714-Q729 HydrophobicContact CG1-CB 3.52Å; I714-Q729 HydrophobicContact CG1-CG 4.38Å; I714-F730 HydrophobicContact CD1-CD1 3.71Å; I714-F730 HydrophobicContact CD1-CD2 4.46Å; I714-F730 HydrophobicContact CD1-CE1 3.85Å; I714-F730 HydrophobicContact CD1-CG 4.05Å; I714-F730 HydrophobicContact CD1-CZ 4.3Å; I714-F730 HydrophobicContact CG2-CD2 4.39Å; I714-F730 HydrophobicContact CG2-CE1 3.9Å; I714-F730 HydrophobicContact CG2-CE2 3.61Å; I714-F730 HydrophobicContact CG2-CZ 3.33Å; I714-L733 HydrophobicContact CD1-CD1 3.54Å
715E89.2Confident88.4Confident86 Ų8649.5 Ų49.540%0.40225%0.246SC..Hα-helixtrans-55.7-51.4174.9-72.2177.317200110.7H711 F713 C717 L718 E719 F762H711-E715 WeakPolarHBondContact O-CG 3.31Å; H711-E715 PolarHBondContact O-N 2.99Å; F713-E715 VanDerWaalsContact C-N 3.28Å; F713-E715 PolarHBondContact O-N 3.2Å; E715-C717 PolarHBondContact O-N 2.92Å; E715-L718 PolarHBondContact O-N 2.73Å; E715-E719 WeakPolarHBondContact O-CG 3.5Å; E715-E719 PolarHBondContact O-N 2.91Å; E715-F762 HydrophobicContact CB-CE1 4Å; E715-F762 HydrophobicContact CB-CZ 4.1Å; E715-F762 HydrophobicContact CG-CD1 4.22Å; E715-F762 HydrophobicContact CG-CE1 3.63Å; E715-F762 HydrophobicContact CG-CZ 4.24Å; E715-F762 WeakPolarHBondContact O-CZ 3.47Å
716A89.5Confident88.8Confident15 Ų1545.1 Ų45.112%0.12422%0.218CC..Hα-helixtrans-63.6-36.7177.800000113.5L689 L694 L712 F713 I714 K720L689-A716 HydrophobicContact CD1-CB 4.23Å; L689-A716 HydrophobicContact CD2-CB 3.66Å; L694-A716 HydrophobicContact CD2-CB 4.17Å; L712-A716 PolarHBondContact O-N 2.99Å; L712-A716 VanDerWaalsContact O-N 3.11Å; F713-A716 PolarHBondContact O-N 3.12Å; I714-A716 PolarHBondContact O-N 2.72Å; A716-K720 PolarHBondContact O-N 2.83Å; A716-K720 VanDerWaalsContact O-N 3.13Å
717C91.2Very high89.1Confident0 Ų045.4 Ų45.40%022%0.219CC..Hα-helixtrans-65.9-44.3175.1-75.10000111.8F713 I714 E715 K720 Q721 N722 A726F713-C717 VanDerWaalsContact CD1-SG 3.54Å; F713-C717 WeakPolarHBondContact CE1-SG 3.44Å; F713-C717 WeakPolarHBondContact O-CB 3.47Å; F713-C717 PolarHBondContact O-N 2.87Å; F713-C717 PolarHBondContact O-SG 2.87Å; F713-C717 VanDerWaalsContact O-SG 3.35Å; I714-C717 PolarHBondContact O-N 2.53Å; E715-C717 PolarHBondContact O-N 2.92Å; C717-K720 CarbonylContact O-C 3.6Å; C717-K720 PolarHBondContact O-N 2.8Å; C717-Q721 PolarHBondContact O-N 2.81Å; C717-N722 PolarHBondContact O-N 3.35Å; C717-A726 HydrophobicContact CB-CB 3.88Å
718L91Very high89.3Confident0 Ų046.1 Ų46.10%022%0.22CC..Hα-helixtrans-65.9-42.4177.7-74.3175000111.1I714 E715 K720 Q721 L723 A726 F741 I742 L745 I758 Y761 F762I714-L718 HydrophobicContact CG2-CD1 3.79Å; I714-L718 HydrophobicContact CG2-CG 4.23Å; I714-L718 WeakPolarHBondContact O-CB 3.18Å; I714-L718 VanDerWaalsContact O-CG 3.29Å; I714-L718 WeakPolarHBondContact O-CG 3.34Å; I714-L718 PolarHBondContact O-N 3.25Å; E715-L718 PolarHBondContact O-N 2.73Å; L718-K720 VanDerWaalsContact C-N 3.3Å; L718-K720 PolarHBondContact O-N 3.5Å; L718-Q721 WeakPolarHBondContact O-CA 3.21Å; L718-Q721 PolarHBondContact O-N 3.37Å; L718-L723 HydrophobicContact CD2-CD2 4.5Å; L718-A726 HydrophobicContact CD2-CB 4.25Å; L718-A726 HydrophobicContact CG-CB 4.36Å; L718-F741 HydrophobicContact CD1-CE1 4.45Å; L718-F741 HydrophobicContact CD2-CE1 4.39Å; L718-I742 HydrophobicContact CD2-CD1 3.73Å; L718-L745 HydrophobicContact CD2-CD1 4.06Å; L718-I758 HydrophobicContact CB-CG2 4.01Å; L718-Y761 HydrophobicContact CD1-CD1 3.89Å; L718-Y761 HydrophobicContact CD1-CE1 3.84Å; L718-F762 HydrophobicContact CB-CE1 4.42Å; L718-F762 HydrophobicContact CB-CE2 4.43Å; L718-F762 HydrophobicContact CB-CZ 3.67Å; L718-F762 HydrophobicContact CD1-CE1 3.93Å; L718-F762 HydrophobicContact CD1-CZ 4.02Å
719E87.4Confident89.5Confident126 Ų12644.4 Ų44.459%0.58921%0.212SC*.Hα-helixtrans-58.7-41.1174.3-75.7-173.3164.700112.3E715 Q721 F762E715-E719 WeakPolarHBondContact O-CG 3.5Å; E715-E719 PolarHBondContact O-N 2.91Å; E719-Q721 VanDerWaalsContact C-N 3.25Å; E719-Q721 PolarHBondContact O-N 3.5Å; E719-F762 HydrophobicContact CG-CE2 3.73Å; E719-F762 HydrophobicContact CG-CZ 4.27Å
720K87Confident89.6Confident123 Ų12344.3 Ų44.354%0.53521%0.212SC..THydrogen-bonded Turntrans-81.52.2175.1-68.2-179.4178.9175.70113.8L694 A716 C717 L718 N722L694-K720 HydrophobicContact CD1-CB 4.45Å; L694-K720 HydrophobicContact CD1-CD 3.92Å; L694-K720 HydrophobicContact CD2-CD 4.38Å; L694-K720 HydrophobicContact CG-CD 4.09Å; A716-K720 PolarHBondContact O-N 2.83Å; A716-K720 VanDerWaalsContact O-N 3.13Å; C717-K720 CarbonylContact O-C 3.6Å; C717-K720 PolarHBondContact O-N 2.8Å; L718-K720 VanDerWaalsContact C-N 3.3Å; L718-K720 PolarHBondContact O-N 3.5Å; K720-N722 PolarHBondContact O-N 3.45Å
721Q86.6Confident89.6Confident52 Ų5246.7 Ų46.724%0.24323%0.23CC..THydrogen-bonded Turntrans55.427-175.7-55.3-169.9-4.800114.9C717 L718 E719 L723 K751 I758C717-Q721 PolarHBondContact O-N 2.81Å; L718-Q721 WeakPolarHBondContact O-CA 3.21Å; L718-Q721 PolarHBondContact O-N 3.37Å; E719-Q721 VanDerWaalsContact C-N 3.25Å; E719-Q721 PolarHBondContact O-N 3.5Å; Q721-L723 PolarHBondContact O-N 2.89Å; Q721-K751 PolarHBondContact NE2-O 2.94Å; Q721-I758 HydrophobicContact CG-CD1 4.37Å
722N89.9Confident89.5Confident53 Ų5348 Ų4828%0.28324%0.236SC..  trans-83.986.4172.7-171-24.3000109.9L694 C717 K720 M725 A726L694-N722 HydrophobicContact CD1-CB 4.18Å; C717-N722 PolarHBondContact O-N 3.35Å; K720-N722 PolarHBondContact O-N 3.45Å; N722-M725 PolarHBondContact OD1-N 3.16Å; N722-A726 PolarHBondContact O-N 2.68Å
723L90.3Very high89.4Confident18 Ų1848.3 Ų48.39%0.09424%0.237CC..Hα-helixtrans-70.6-30-174.6-57.5-178.9000113.3L718 Q721 E727 I742 L745 R746L718-L723 HydrophobicContact CD2-CD2 4.5Å; Q721-L723 PolarHBondContact O-N 2.89Å; L723-E727 WeakPolarHBondContact O-CB 3.14Å; L723-E727 PolarHBondContact O-N 2.67Å; L723-I742 HydrophobicContact CB-CG2 4.32Å; L723-I742 HydrophobicContact CD2-CD1 4.07Å; L723-L745 HydrophobicContact CD1-CB 4.5Å; L723-L745 HydrophobicContact CD2-CB 4.35Å; L723-L745 HydrophobicContact CD2-CD1 3.96Å; L723-R746 HydrophobicContact CD1-CG 4.05Å
724E90.6Very high89.2Confident149 Ų14956.7 Ų56.770%0.69628%0.277SS*.Hα-helixtrans-67.7-48.7-177.9-67.2177.5-179.600111.2E727 L728E724-E727 PolarHBondContact O-N 2.7Å; E724-L728 PolarHBondContact O-N 3.36Å; E724-L728 VanDerWaalsContact O-N 3.09Å
725M89.6Confident89.1Confident46 Ų4659 Ų5923%0.22729%0.287CS..Hα-helixtrans-67.4-37.5178-69.7-68.5-98.400111.8F713 N722 L728 Q729F713-M725 HydrophobicContact CE1-CB 4.25Å; F713-M725 HydrophobicContact CZ-CE 4.05Å; N722-M725 PolarHBondContact OD1-N 3.16Å; M725-L728 PolarHBondContact O-N 3.37Å; M725-Q729 WeakPolarHBondContact O-CG 3.1Å; M725-Q729 PolarHBondContact O-N 2.8Å; M725-Q729 VanDerWaalsContact O-N 3.16Å
726A90.7Very high89Confident0 Ų062 Ų620%030%0.296CS..Hα-helixtrans-63.7-45.7175.800000112.1C717 L718 N722 L728 Q729 F730 I742C717-A726 HydrophobicContact CB-CB 3.88Å; L718-A726 HydrophobicContact CD2-CB 4.25Å; L718-A726 HydrophobicContact CG-CB 4.36Å; N722-A726 PolarHBondContact O-N 2.68Å; A726-L728 VanDerWaalsContact C-N 3.34Å; A726-L728 PolarHBondContact O-N 2.84Å; A726-Q729 PolarHBondContact O-N 2.81Å; A726-F730 WeakPolarHBondContact O-CD2 3.26Å; A726-F730 PolarHBondContact O-N 3.34Å; A726-I742 HydrophobicContact CB-CD1 3.91Å
727E91Very high89Confident41 Ų4164.7 Ų64.719%0.19231%0.314CS..Hα-helixtrans-60.4-44.5177.1-172.6172.4-170.400111.7L723 E724 Q729 F730 V731 I742 R746L723-E727 WeakPolarHBondContact O-CB 3.14Å; L723-E727 PolarHBondContact O-N 2.67Å; E724-E727 PolarHBondContact O-N 2.7Å; E727-Q729 VanDerWaalsContact C-N 3.27Å; E727-Q729 PolarHBondContact O-N 2.84Å; E727-F730 PolarHBondContact O-N 3.35Å; E727-V731 VanDerWaalsContact O-CG2 3.32Å; E727-V731 WeakPolarHBondContact O-CG2 3.39Å; E727-V731 PolarHBondContact O-N 3.39Å; E727-I742 HydrophobicContact CB-CG1 4.44Å; E727-I742 HydrophobicContact CB-CG2 4.17Å; E727-R746 IonicContact OE2-CZ 2.69Å; E727-R746 IonicContact OE2-NE 3.56Å; E727-R746 IonicContact OE2-NH1 2.61Å; E727-R746 IonicContact OE2-NH2 2.97Å; E727-R746 PolarHBondContact OE2-NH2 2.59Å
728L90.7Very high88.8Confident84 Ų8464.7 Ų64.744%0.4431%0.314SS..Hα-helixtrans-57.1-43.2177.6-170.6150.5000110.9E724 M725 A726 V731 H732E724-L728 PolarHBondContact O-N 3.36Å; E724-L728 VanDerWaalsContact O-N 3.09Å; M725-L728 PolarHBondContact O-N 3.37Å; A726-L728 VanDerWaalsContact C-N 3.34Å; A726-L728 PolarHBondContact O-N 2.84Å; L728-V731 PolarHBondContact O-N 2.76Å; L728-H732 WeakPolarHBondContact CD2-CE1 3.42Å; L728-H732 PolarHBondContact O-N 2.8Å; L728-H732 PolarHBondContact O-ND1 3.37Å
729Q88.7Confident88.7Confident1 Ų166 Ų661%0.00532%0.321CS..Hα-helixtrans-71.8-36.5177.7-64.3-49.7-41.500113.8F713 I714 M725 A726 E727 V731 H732 L733F713-Q729 HydrophobicContact CD1-CG 3.48Å; F713-Q729 VanDerWaalsContact CD1-CG 3.48Å; F713-Q729 HydrophobicContact CE1-CG 3.76Å; I714-Q729 HydrophobicContact CD1-CB 3.75Å; I714-Q729 HydrophobicContact CG1-CB 3.52Å; I714-Q729 HydrophobicContact CG1-CG 4.38Å; M725-Q729 WeakPolarHBondContact O-CG 3.1Å; M725-Q729 PolarHBondContact O-N 2.8Å; M725-Q729 VanDerWaalsContact O-N 3.16Å; A726-Q729 PolarHBondContact O-N 2.81Å; E727-Q729 VanDerWaalsContact C-N 3.27Å; E727-Q729 PolarHBondContact O-N 2.84Å; Q729-V731 VanDerWaalsContact C-N 3.26Å; Q729-V731 PolarHBondContact O-N 2.89Å; Q729-H732 WeakPolarHBondContact O-CB 3.21Å; Q729-H732 PolarHBondContact O-N 3.46Å; Q729-H732 VanDerWaalsContact O-N 3.13Å; Q729-L733 PolarHBondContact O-N 3.18Å
730F90.6Very high88.8Confident0 Ų064.7 Ų64.70%032%0.315CS..Hα-helixtrans-62-36172.8-79.1-57.8000112.3I714 A726 E727 H732 L733 Q734 E735 I739 I742 Y761I714-F730 HydrophobicContact CD1-CD1 3.71Å; I714-F730 HydrophobicContact CD1-CD2 4.46Å; I714-F730 HydrophobicContact CD1-CE1 3.85Å; I714-F730 HydrophobicContact CD1-CG 4.05Å; I714-F730 HydrophobicContact CD1-CZ 4.3Å; I714-F730 HydrophobicContact CG2-CD2 4.39Å; I714-F730 HydrophobicContact CG2-CE1 3.9Å; I714-F730 HydrophobicContact CG2-CE2 3.61Å; I714-F730 HydrophobicContact CG2-CZ 3.33Å; A726-F730 WeakPolarHBondContact O-CD2 3.26Å; A726-F730 PolarHBondContact O-N 3.34Å; E727-F730 PolarHBondContact O-N 3.35Å; F730-H732 VanDerWaalsContact C-N 3.34Å; F730-L733 CarbonylContact O-C 3.52Å; F730-L733 PolarHBondContact O-N 2.89Å; F730-Q734 PolarHBondContact O-N 2.76Å; F730-E735 HydrophobicContact CD1-CB 4.07Å; F730-E735 WeakPolarHBondContact CE1-OE2 3.44Å; F730-E735 PolarHBondContact O-N 3.04Å; F730-E735 VanDerWaalsContact O-N 3.1Å; F730-I739 HydrophobicContact CB-CG1 3.89Å; F730-I742 HydrophobicContact CD2-CD1 4.48Å; F730-I742 HydrophobicContact CD2-CG1 3.96Å; F730-I742 HydrophobicContact CE2-CD1 4.21Å; F730-I742 HydrophobicContact CE2-CG1 4.04Å; F730-Y761 WeakPolarHBondContact CE1-OH 3.25Å; F730-Y761 HydrophobicContact CZ-CE1 4.36Å; F730-Y761 AromaticContact CZ-CZ 4Å; F730-Y761 WeakPolarHBondContact CZ-OH 3.45Å
731V90Very high89Confident81 Ų8160 Ų6049%0.49129%0.294SS..Hα-helixtrans-63.1-41.5173172.40000110.9E727 L728 Q729 L733 Q734 I739E727-V731 VanDerWaalsContact O-CG2 3.32Å; E727-V731 WeakPolarHBondContact O-CG2 3.39Å; E727-V731 PolarHBondContact O-N 3.39Å; L728-V731 PolarHBondContact O-N 2.76Å; Q729-V731 VanDerWaalsContact C-N 3.26Å; Q729-V731 PolarHBondContact O-N 2.89Å; V731-L733 VanDerWaalsContact C-N 3.29Å; V731-L733 PolarHBondContact O-N 2.82Å; V731-Q734 PolarHBondContact O-N 3.41Å; V731-Q734 VanDerWaalsContact O-N 3.15Å; V731-I739 HydrophobicContact CG2-CD1 3.85Å; V731-I739 HydrophobicContact CG2-CG1 4.34Å
732H86.8Confident89.2Confident99 Ų9957.5 Ų57.546%0.45828%0.283SS..Hα-helixtrans-64.3-33.5175.1-74.972.5000112.8R710 L728 Q729 F730 Q734R710-H732 PolarHBondContact NH1-CD2 2.81Å; L728-H732 WeakPolarHBondContact CD2-CE1 3.42Å; L728-H732 PolarHBondContact O-N 2.8Å; L728-H732 PolarHBondContact O-ND1 3.37Å; Q729-H732 WeakPolarHBondContact O-CB 3.21Å; Q729-H732 PolarHBondContact O-N 3.46Å; Q729-H732 VanDerWaalsContact O-N 3.13Å; F730-H732 VanDerWaalsContact C-N 3.34Å; H732-Q734 VanDerWaalsContact C-N 3.31Å
733L85.2Confident89.2Confident37 Ų3760.4 Ų60.419%0.19429%0.293CS..THydrogen-bonded Turntrans-82-5.7176-69.9172.5000113.7T707 R710 I714 Q729 F730 V731 E735T707-L733 HydrophobicContact CG2-CD2 4Å; R710-L733 HydrophobicContact CB-CD1 3.85Å; R710-L733 HydrophobicContact CB-CD2 4.06Å; R710-L733 HydrophobicContact CB-CG 4.09Å; I714-L733 HydrophobicContact CD1-CD1 3.54Å; Q729-L733 PolarHBondContact O-N 3.18Å; F730-L733 CarbonylContact O-C 3.52Å; F730-L733 PolarHBondContact O-N 2.89Å; V731-L733 VanDerWaalsContact C-N 3.29Å; V731-L733 PolarHBondContact O-N 2.82Å; L733-E735 HydrophobicContact CB-CB 4.3Å; L733-E735 PolarHBondContact O-N 3.44Å
734Q87.8Confident89.2Confident177 Ų17765.6 Ų65.683%0.82731%0.311SS*.THydrogen-bonded Turntrans54.127.6-172.4-56.2-177.85.200113.5F730 V731 H732 Y736F730-Q734 PolarHBondContact O-N 2.76Å; V731-Q734 PolarHBondContact O-N 3.41Å; V731-Q734 VanDerWaalsContact O-N 3.15Å; H732-Q734 VanDerWaalsContact C-N 3.31Å; Q734-Y736 PolarHBondContact O-N 3.29Å
735E86.7Confident89.2Confident50 Ų5058.5 Ų58.523%0.23428%0.278CS..  trans-88.690-176-166.9-174160.500110.4H711 F730 L733 S737 G738 I739H711-E735 IonicContact CE1-OE2 2.86Å; H711-E735 PolarHBondContact CE1-OE2 3.04Å; F730-E735 HydrophobicContact CD1-CB 4.07Å; F730-E735 WeakPolarHBondContact CE1-OE2 3.44Å; F730-E735 PolarHBondContact O-N 3.04Å; F730-E735 VanDerWaalsContact O-N 3.1Å; L733-E735 HydrophobicContact CB-CB 4.3Å; L733-E735 PolarHBondContact O-N 3.44Å; E735-S737 VanDerWaalsContact C-N 3.27Å; E735-S737 WeakPolarHBondContact CG-OG 3.36Å; E735-S737 PolarHBondContact O-N 3.48Å; E735-S737 PolarHBondContact OE1-OG 3.31Å; E735-G738 PolarHBondContact O-N 3.41Å; E735-G738 VanDerWaalsContact O-N 3.11Å; E735-I739 PolarHBondContact O-N 3.19Å
736Y88.3Confident89.2Confident150 Ų15062.4 Ų62.459%0.58829%0.29SS*.Hα-helixtrans-60.7-34.7-175.8-174.3-105.6000113.5Q734 G738 I739 Q740Q734-Y736 PolarHBondContact O-N 3.29Å; Y736-G738 VanDerWaalsContact C-N 3.35Å; Y736-G738 PolarHBondContact O-N 3.05Å; Y736-I739 PolarHBondContact O-N 2.84Å; Y736-Q740 HydrophobicContact CD1-CG 4.13Å; Y736-Q740 HydrophobicContact CE1-CG 3.74Å; Y736-Q740 WeakPolarHBondContact O-CG 3.47Å; Y736-Q740 PolarHBondContact O-N 3.1Å; Y736-Q740 PolarHBondContact OH-NE2 3.16Å; Y736-Q740 VanDerWaalsContact OH-NE2 3.16Å
737S88.4Confident89.2Confident72 Ų7269 Ų6950%0.50333%0.325SS..Hα-helixtrans-58.7-44173.941.30000112.2E735 Q740 F741E735-S737 VanDerWaalsContact C-N 3.27Å; E735-S737 WeakPolarHBondContact CG-OG 3.36Å; E735-S737 PolarHBondContact O-N 3.48Å; E735-S737 PolarHBondContact OE1-OG 3.31Å; S737-Q740 PolarHBondContact O-N 3.17Å; S737-F741 WeakPolarHBondContact O-CB 3.46Å; S737-F741 PolarHBondContact O-N 3.28Å
738G87.9Confident89Confident0 Ų068.3 Ų68.30%032%0.323CS..Hα-helixtrans-63.6-41.1176.300000112.6E735 Y736 F741 I742E735-G738 PolarHBondContact O-N 3.41Å; E735-G738 VanDerWaalsContact O-N 3.11Å; Y736-G738 VanDerWaalsContact C-N 3.35Å; Y736-G738 PolarHBondContact O-N 3.05Å; G738-F741 WeakPolarHBondContact O-CB 3.41Å; G738-F741 PolarHBondContact O-N 3.3Å; G738-I742 WeakPolarHBondContact O-CG1 3.2Å; G738-I742 PolarHBondContact O-N 3.5Å
739I88.7Confident88.6Confident27 Ų2773.4 Ų73.414%0.13834%0.344CS..Hα-helixtrans-64.3-44.2176.8-60.8170.1000111F730 V731 E735 Y736 F741 I742 K743F730-I739 HydrophobicContact CB-CG1 3.89Å; V731-I739 HydrophobicContact CG2-CD1 3.85Å; V731-I739 HydrophobicContact CG2-CG1 4.34Å; E735-I739 PolarHBondContact O-N 3.19Å; Y736-I739 PolarHBondContact O-N 2.84Å; I739-F741 VanDerWaalsContact C-N 3.29Å; I739-F741 PolarHBondContact O-N 2.84Å; I739-I742 PolarHBondContact O-N 3.44Å; I739-K743 WeakPolarHBondContact O-CG 3.35Å; I739-K743 PolarHBondContact O-N 3.28Å
740Q89.6Confident88.6Confident98 Ų9875.7 Ų75.746%0.45836%0.36SS..Hα-helixtrans-62.6-38.4174.8-73.3-164.8-23.100111.9Y736 S737 K743 R744Y736-Q740 HydrophobicContact CD1-CG 4.13Å; Y736-Q740 HydrophobicContact CE1-CG 3.74Å; Y736-Q740 WeakPolarHBondContact O-CG 3.47Å; Y736-Q740 PolarHBondContact O-N 3.1Å; Y736-Q740 PolarHBondContact OH-NE2 3.16Å; Y736-Q740 VanDerWaalsContact OH-NE2 3.16Å; S737-Q740 PolarHBondContact O-N 3.17Å; Q740-K743 PolarHBondContact O-N 3.36Å; Q740-R744 PolarHBondContact O-N 3.17Å
741F91.3Very high88.4Confident24 Ų2483 Ų8311%0.10539%0.392CS..Hα-helixtrans-61.2-45.6174.9-179.4-115.3000111.6L718 S737 G738 I739 K743 R744 L745 I758 Y761L718-F741 HydrophobicContact CD1-CE1 4.45Å; L718-F741 HydrophobicContact CD2-CE1 4.39Å; S737-F741 WeakPolarHBondContact O-CB 3.46Å; S737-F741 PolarHBondContact O-N 3.28Å; G738-F741 WeakPolarHBondContact O-CB 3.41Å; G738-F741 PolarHBondContact O-N 3.3Å; I739-F741 VanDerWaalsContact C-N 3.29Å; I739-F741 PolarHBondContact O-N 2.84Å; F741-K743 VanDerWaalsContact C-N 3.35Å; F741-K743 PolarHBondContact O-N 3.24Å; F741-R744 WeakPolarHBondContact O-CB 3.34Å; F741-R744 PolarHBondContact O-N 3.43Å; F741-R744 VanDerWaalsContact O-N 3.14Å; F741-L745 HydrophobicContact CD1-CD1 3.97Å; F741-L745 HydrophobicContact CD1-CG 4.42Å; F741-L745 HydrophobicContact CE1-CD1 3.49Å; F741-L745 VanDerWaalsContact CE1-CD1 3.49Å; F741-L745 HydrophobicContact CE1-CD2 4.4Å; F741-L745 HydrophobicContact CE1-CG 4.08Å; F741-L745 HydrophobicContact CE2-CD1 4.48Å; F741-L745 HydrophobicContact CE2-CD2 4.05Å; F741-L745 HydrophobicContact CE2-CG 4.2Å; F741-L745 HydrophobicContact CZ-CD1 3.77Å; F741-L745 HydrophobicContact CZ-CD2 3.81Å; F741-L745 HydrophobicContact CZ-CG 3.94Å; F741-L745 WeakPolarHBondContact O-CG 3.12Å; F741-L745 PolarHBondContact O-N 3.15Å; F741-I758 HydrophobicContact CZ-CG1 4.4Å; F741-Y761 HydrophobicContact CD1-CD1 4.47Å; F741-Y761 AromaticContact CD1-CD2 3.75Å; F741-Y761 HydrophobicContact CD1-CD2 3.75Å; F741-Y761 HydrophobicContact CD1-CE2 4.07Å; F741-Y761 AromaticContact CD1-CG 3.99Å; F741-Y761 HydrophobicContact CD1-CG 3.99Å; F741-Y761 HydrophobicContact CD2-CD2 4.24Å; F741-Y761 HydrophobicContact CE1-CD1 4.03Å; F741-Y761 AromaticContact CE1-CD2 3.79Å; F741-Y761 HydrophobicContact CE1-CD2 3.79Å; F741-Y761 HydrophobicContact CE1-CE2 4.47Å; F741-Y761 AromaticContact CE1-CG 3.55Å; F741-Y761 HydrophobicContact CE1-CG 3.55Å; F741-Y761 HydrophobicContact CE2-CD2 4.29Å; F741-Y761 HydrophobicContact CE2-CG 4.42Å; F741-Y761 AromaticContact CG-CD2 3.99Å; F741-Y761 HydrophobicContact CG-CD2 3.99Å; F741-Y761 HydrophobicContact CG-CE2 4.33Å; F741-Y761 VanDerWaalsContact CZ-CB 3.42Å; F741-Y761 HydrophobicContact CZ-CD2 4.08Å; F741-Y761 AromaticContact CZ-CG 3.81Å; F741-Y761 HydrophobicContact CZ-CG 3.81Å
742I91.2Very high88.3Confident0 Ų081.2 Ų81.20%038%0.38CS..Hα-helixtrans-59.8-43.5174.3-63.9-65.8000111.7L718 L723 A726 E727 F730 G738 I739 R744 L745 R746L718-I742 HydrophobicContact CD2-CD1 3.73Å; L723-I742 HydrophobicContact CB-CG2 4.32Å; L723-I742 HydrophobicContact CD2-CD1 4.07Å; A726-I742 HydrophobicContact CB-CD1 3.91Å; E727-I742 HydrophobicContact CB-CG1 4.44Å; E727-I742 HydrophobicContact CB-CG2 4.17Å; F730-I742 HydrophobicContact CD2-CD1 4.48Å; F730-I742 HydrophobicContact CD2-CG1 3.96Å; F730-I742 HydrophobicContact CE2-CD1 4.21Å; F730-I742 HydrophobicContact CE2-CG1 4.04Å; G738-I742 WeakPolarHBondContact O-CG1 3.2Å; G738-I742 PolarHBondContact O-N 3.5Å; I739-I742 PolarHBondContact O-N 3.44Å; I742-R744 VanDerWaalsContact C-N 3.29Å; I742-R744 PolarHBondContact O-N 3.42Å; I742-L745 HydrophobicContact CD1-CD1 4.4Å; I742-L745 PolarHBondContact O-N 3.48Å; I742-L745 VanDerWaalsContact O-N 3.15Å; I742-R746 WeakPolarHBondContact O-CG 3.35Å; I742-R746 PolarHBondContact O-N 3.42Å
743K89.8Confident88.4Confident114 Ų11478.4 Ų78.450%0.49637%0.367SS..Hα-helixtrans-59.5-40.6175.8-71.9178.3-179.5179.80111.8I739 Q740 F741 R746 N747I739-K743 WeakPolarHBondContact O-CG 3.35Å; I739-K743 PolarHBondContact O-N 3.28Å; Q740-K743 PolarHBondContact O-N 3.36Å; F741-K743 VanDerWaalsContact C-N 3.35Å; F741-K743 PolarHBondContact O-N 3.24Å; K743-R746 PolarHBondContact O-N 3.25Å; K743-N747 PolarHBondContact O-N 2.89Å
744R90.2Very high88.6Confident127 Ų12778.7 Ų78.748%0.47937%0.366SS..Hα-helixtrans-63.4-44.5173.8-173.4178.8176.4172.4-1.7111.5Q740 F741 I742 R746 N747 I748 E757 R787Q740-R744 PolarHBondContact O-N 3.17Å; F741-R744 WeakPolarHBondContact O-CB 3.34Å; F741-R744 PolarHBondContact O-N 3.43Å; F741-R744 VanDerWaalsContact O-N 3.14Å; I742-R744 VanDerWaalsContact C-N 3.29Å; I742-R744 PolarHBondContact O-N 3.42Å; R744-R746 VanDerWaalsContact C-N 3.32Å; R744-R746 PolarHBondContact O-N 3.02Å; R744-N747 PolarHBondContact O-N 3.25Å; R744-I748 PolarHBondContact O-N 2.89Å; R744-E757 IonicContact CZ-OE2 2.99Å; R744-E757 IonicContact NH2-OE2 2.85Å; R744-R787 VanDerWaalsContact NH2-NH1 3.13Å
745L90.4Very high88.8Confident0 Ų075.4 Ų75.40%035%0.349CS..Hα-helixtrans-63.3-33.9178.1-67.7179.5000113.1L718 L723 F741 I742 N747 I748 R754 E757 I758L718-L745 HydrophobicContact CD2-CD1 4.06Å; L723-L745 HydrophobicContact CD1-CB 4.5Å; L723-L745 HydrophobicContact CD2-CB 4.35Å; L723-L745 HydrophobicContact CD2-CD1 3.96Å; F741-L745 HydrophobicContact CD1-CD1 3.97Å; F741-L745 HydrophobicContact CD1-CG 4.42Å; F741-L745 HydrophobicContact CE1-CD1 3.49Å; F741-L745 VanDerWaalsContact CE1-CD1 3.49Å; F741-L745 HydrophobicContact CE1-CD2 4.4Å; F741-L745 HydrophobicContact CE1-CG 4.08Å; F741-L745 HydrophobicContact CE2-CD1 4.48Å; F741-L745 HydrophobicContact CE2-CD2 4.05Å; F741-L745 HydrophobicContact CE2-CG 4.2Å; F741-L745 HydrophobicContact CZ-CD1 3.77Å; F741-L745 HydrophobicContact CZ-CD2 3.81Å; F741-L745 HydrophobicContact CZ-CG 3.94Å; F741-L745 WeakPolarHBondContact O-CG 3.12Å; F741-L745 PolarHBondContact O-N 3.15Å; I742-L745 HydrophobicContact CD1-CD1 4.4Å; I742-L745 PolarHBondContact O-N 3.48Å; I742-L745 VanDerWaalsContact O-N 3.15Å; L745-N747 VanDerWaalsContact C-N 3.3Å; L745-N747 PolarHBondContact O-N 3.36Å; L745-I748 HydrophobicContact CD2-CD1 4.35Å; L745-I748 PolarHBondContact O-N 3.13Å; L745-R754 HydrophobicContact CB-CG 4.17Å; L745-R754 HydrophobicContact CD2-CG 3.76Å; L745-R754 HydrophobicContact CG-CG 4.4Å; L745-R754 PolarHBondContact O-NE 2.68Å; L745-R754 VanDerWaalsContact O-NE 3.08Å; L745-R754 PolarHBondContact O-NH2 3.11Å; L745-E757 HydrophobicContact CD2-CB 3.92Å; L745-I758 HydrophobicContact CD1-CD1 4.19Å; L745-I758 HydrophobicContact CD1-CG1 3.82Å; L745-I758 HydrophobicContact CD2-CG1 4.15Å
746R89.9Confident88.9Confident128 Ų12873.2 Ų73.248%0.48334%0.34SS..Hα-helixtrans-64-33.1175.4-74.8-179.9179.7-164.3-4.5112.6L723 E727 I742 K743 R744 I748L723-R746 HydrophobicContact CD1-CG 4.05Å; E727-R746 IonicContact OE2-CZ 2.69Å; E727-R746 IonicContact OE2-NE 3.56Å; E727-R746 IonicContact OE2-NH1 2.61Å; E727-R746 IonicContact OE2-NH2 2.97Å; E727-R746 PolarHBondContact OE2-NH2 2.59Å; I742-R746 WeakPolarHBondContact O-CG 3.35Å; I742-R746 PolarHBondContact O-N 3.42Å; K743-R746 PolarHBondContact O-N 3.25Å; R744-R746 VanDerWaalsContact C-N 3.32Å; R744-R746 PolarHBondContact O-N 3.02Å; R746-I748 VanDerWaalsContact C-N 3.3Å; R746-I748 PolarHBondContact O-N 3.34Å
747N89.3Confident89Confident138 Ų13867.1 Ų67.174%0.73832%0.316SS*.Hα-helixtrans-76-16.8177.6-68.8-12.8000113.1K743 R744 L745 Q749K743-N747 PolarHBondContact O-N 2.89Å; R744-N747 PolarHBondContact O-N 3.25Å; L745-N747 VanDerWaalsContact C-N 3.3Å; L745-N747 PolarHBondContact O-N 3.36Å; N747-Q749 PolarHBondContact O-N 3Å
748I88Confident89.2Confident27 Ų2764 Ų6414%0.13829%0.294CS..  trans-85.1110.7178.4-61.1169.9000109.2R744 L745 R746 S750 I753 R754 E757R744-I748 PolarHBondContact O-N 2.89Å; L745-I748 HydrophobicContact CD2-CD1 4.35Å; L745-I748 PolarHBondContact O-N 3.13Å; R746-I748 VanDerWaalsContact C-N 3.3Å; R746-I748 PolarHBondContact O-N 3.34Å; I748-S750 WeakPolarHBondContact CG2-O 3.47Å; I748-I753 HydrophobicContact CD1-CG2 4.38Å; I748-I753 HydrophobicContact CG2-CB 3.75Å; I748-I753 HydrophobicContact CG2-CG2 3.73Å; I748-R754 HydrophobicContact CG2-CB 4.23Å; I748-R754 PolarHBondContact O-NE 3.35Å; I748-R754 PolarHBondContact O-NH2 2.83Å; I748-E757 HydrophobicContact CD1-CB 4.49Å; I748-E757 HydrophobicContact CD1-CG 3.92Å
749Q82.9Confident89.3Confident191 Ų19165 Ų6589%0.89330%0.299SS*.  trans-73.1-34.7-179.9-65.8-179.6-5.600112.9N747 K751N747-Q749 PolarHBondContact O-N 3Å; Q749-K751 PolarHBondContact O-N 2.75Å
750S86.7Confident89.3Confident49 Ų4965 Ų6534%0.34330%0.3SS..  trans-76118.4-179.6175.50000111.3I748 L752 I753 R754I748-S750 WeakPolarHBondContact CG2-O 3.47Å; S750-L752 PolarHBondContact O-N 3.4Å; S750-L752 PolarHBondContact OG-N 3.13Å; S750-I753 PolarHBondContact O-N 2.67Å; S750-I753 PolarHBondContact OG-N 3.47Å; S750-R754 WeakPolarHBondContact O-CB 3.47Å; S750-R754 PolarHBondContact O-N 2.9Å
751K86.9Confident89.3Confident154 Ų15463.9 Ų63.967%0.6729%0.293SS*.Hα-helixtrans-57.1-29.6173.7-70.8-173.5178.7-178.10112.7Q721 Q749 K755Q721-K751 PolarHBondContact NE2-O 2.94Å; Q749-K751 PolarHBondContact O-N 2.75Å; K751-K755 WeakPolarHBondContact O-CB 3.32Å; K751-K755 PolarHBondContact O-N 2.77Å
752L87.8Confident89.1Confident44 Ų4464.3 Ų64.323%0.2329%0.294CS..Hα-helixtrans-73.4-50.6-178.9-167.2159.4000111.5S750 R754 K755 A756 L771 L772 N775S750-L752 PolarHBondContact O-N 3.4Å; S750-L752 PolarHBondContact OG-N 3.13Å; L752-R754 PolarHBondContact O-N 3.18Å; L752-K755 WeakPolarHBondContact O-CB 3.36Å; L752-K755 PolarHBondContact O-N 2.91Å; L752-K755 VanDerWaalsContact O-N 3.1Å; L752-A756 PolarHBondContact O-N 2.73Å; L752-L771 HydrophobicContact CD2-CD2 4.49Å; L752-L771 HydrophobicContact CD2-CG 4.19Å; L752-L772 HydrophobicContact CD2-CD2 4.37Å; L752-N775 HydrophobicContact CD1-CB 3.57Å; L752-N775 WeakPolarHBondContact CD1-ND2 3.35Å; L752-N775 WeakPolarHBondContact CD1-OD1 3.42Å; L752-N775 HydrophobicContact CD2-CB 4.27Å
753I88.5Confident88.8Confident39 Ų3972.5 Ų72.520%0.233%0.33CS..Hα-helixtrans-61.7-39.2175.6-60.4175.7000109.6I748 S750 K755 A756 E757 L780I748-I753 HydrophobicContact CD1-CG2 4.38Å; I748-I753 HydrophobicContact CG2-CB 3.75Å; I748-I753 HydrophobicContact CG2-CG2 3.73Å; S750-I753 PolarHBondContact O-N 2.67Å; S750-I753 PolarHBondContact OG-N 3.47Å; I753-K755 VanDerWaalsContact C-N 3.34Å; I753-K755 PolarHBondContact O-N 2.97Å; I753-A756 PolarHBondContact O-N 3.22Å; I753-E757 HydrophobicContact CG2-CG 4.43Å; I753-E757 WeakPolarHBondContact O-CG 3.36Å; I753-E757 PolarHBondContact O-N 3.33Å; I753-L780 HydrophobicContact CD1-CD1 3.91Å; I753-L780 HydrophobicContact CG1-CD1 4.06Å
754R90.7Very high88.7Confident44 Ų4470.9 Ų70.917%0.16632%0.323CS..Hα-helixtrans-59.4-45.1174.3-165-175.5-69.1171.30.3111.5L745 I748 S750 L752 E757 I758L745-R754 HydrophobicContact CB-CG 4.17Å; L745-R754 HydrophobicContact CD2-CG 3.76Å; L745-R754 HydrophobicContact CG-CG 4.4Å; L745-R754 PolarHBondContact O-NE 2.68Å; L745-R754 VanDerWaalsContact O-NE 3.08Å; L745-R754 PolarHBondContact O-NH2 3.11Å; I748-R754 HydrophobicContact CG2-CB 4.23Å; I748-R754 PolarHBondContact O-NE 3.35Å; I748-R754 PolarHBondContact O-NH2 2.83Å; S750-R754 WeakPolarHBondContact O-CB 3.47Å; S750-R754 PolarHBondContact O-N 2.9Å; L752-R754 PolarHBondContact O-N 3.18Å; R754-E757 PolarHBondContact O-N 3.06Å; R754-I758 HydrophobicContact CG-CD1 4.11Å; R754-I758 WeakPolarHBondContact O-CD1 3.25Å; R754-I758 WeakPolarHBondContact O-CG1 3.16Å; R754-I758 PolarHBondContact O-N 3Å
755K90.8Very high88.6Confident108 Ų10867.1 Ų67.147%0.4731%0.311SS..Hα-helixtrans-63.7-41.3175.9-170.7177.3-179.7-178.10112K751 L752 I753 I758 L759 L771K751-K755 WeakPolarHBondContact O-CB 3.32Å; K751-K755 PolarHBondContact O-N 2.77Å; L752-K755 WeakPolarHBondContact O-CB 3.36Å; L752-K755 PolarHBondContact O-N 2.91Å; L752-K755 VanDerWaalsContact O-N 3.1Å; I753-K755 VanDerWaalsContact C-N 3.34Å; I753-K755 PolarHBondContact O-N 2.97Å; K755-I758 PolarHBondContact O-N 2.87Å; K755-L759 WeakPolarHBondContact O-CG 2.8Å; K755-L759 PolarHBondContact O-N 3.34Å; K755-L771 HydrophobicContact CB-CD2 4Å; K755-L771 HydrophobicContact CD-CD2 4.09Å; K755-L771 HydrophobicContact CG-CD2 3.94Å
756A89.9Confident88.5Confident4 Ų472.2 Ų72.23%0.03334%0.338CS..Hα-helixtrans-61-49.217500000111.3L752 I753 I758 L759 V760 L771 L772L752-A756 PolarHBondContact O-N 2.73Å; I753-A756 PolarHBondContact O-N 3.22Å; A756-I758 VanDerWaalsContact C-N 3.28Å; A756-I758 PolarHBondContact O-N 3.11Å; A756-L759 WeakPolarHBondContact O-CB 3.35Å; A756-L759 PolarHBondContact O-N 3.4Å; A756-L759 VanDerWaalsContact O-N 3.12Å; A756-V760 VanDerWaalsContact O-CG2 3.26Å; A756-V760 WeakPolarHBondContact O-CG2 3.49Å; A756-V760 PolarHBondContact O-N 3.49Å; A756-L771 HydrophobicContact CB-CD2 4.12Å; A756-L772 HydrophobicContact CB-CD1 4.36Å; A756-L772 HydrophobicContact CB-CD2 3.95Å; A756-L772 HydrophobicContact CB-CG 4.02Å
757E90.5Very high88.5Confident22 Ų2270.9 Ų70.910%0.10334%0.337CS..Hα-helixtrans-62.1-33.6177.1-70.8-75.1153.400112.5R744 L745 I748 I753 R754 V760 Y761 R787R744-E757 IonicContact CZ-OE2 2.99Å; R744-E757 IonicContact NH2-OE2 2.85Å; L745-E757 HydrophobicContact CD2-CB 3.92Å; I748-E757 HydrophobicContact CD1-CB 4.49Å; I748-E757 HydrophobicContact CD1-CG 3.92Å; I753-E757 HydrophobicContact CG2-CG 4.43Å; I753-E757 WeakPolarHBondContact O-CG 3.36Å; I753-E757 PolarHBondContact O-N 3.33Å; R754-E757 PolarHBondContact O-N 3.06Å; E757-V760 PolarHBondContact O-N 3.41Å; E757-Y761 PolarHBondContact O-N 2.8Å; E757-R787 IonicContact OE1-CZ 3.87Å; E757-R787 IonicContact OE1-NH1 3.57Å; E757-R787 PolarHBondContact OE1-NH1 3.09Å; E757-R787 IonicContact OE1-NH2 2.69Å; E757-R787 PolarHBondContact OE1-NH2 2.81Å; E757-R787 IonicContact OE2-NH1 3.69Å
758I91.5Very high88.6Confident6 Ų664.3 Ų64.33%0.03130%0.302CS..Hα-helixtrans-66.2-44.3172.5-70.3161.5000111.4L718 Q721 F741 L745 R754 K755 A756 V760 Y761 F762L718-I758 HydrophobicContact CB-CG2 4.01Å; Q721-I758 HydrophobicContact CG-CD1 4.37Å; F741-I758 HydrophobicContact CZ-CG1 4.4Å; L745-I758 HydrophobicContact CD1-CD1 4.19Å; L745-I758 HydrophobicContact CD1-CG1 3.82Å; L745-I758 HydrophobicContact CD2-CG1 4.15Å; R754-I758 HydrophobicContact CG-CD1 4.11Å; R754-I758 WeakPolarHBondContact O-CD1 3.25Å; R754-I758 WeakPolarHBondContact O-CG1 3.16Å; R754-I758 PolarHBondContact O-N 3Å; K755-I758 PolarHBondContact O-N 2.87Å; A756-I758 VanDerWaalsContact C-N 3.28Å; A756-I758 PolarHBondContact O-N 3.11Å; I758-V760 VanDerWaalsContact C-N 3.28Å; I758-V760 PolarHBondContact O-N 3.13Å; I758-Y761 WeakPolarHBondContact O-CB 3.4Å; I758-Y761 PolarHBondContact O-N 2.96Å; I758-Y761 VanDerWaalsContact O-N 3.16Å; I758-F762 HydrophobicContact CG2-CD2 3.93Å; I758-F762 HydrophobicContact CG2-CE2 3.42Å; I758-F762 VanDerWaalsContact CG2-CE2 3.42Å; I758-F762 HydrophobicContact CG2-CZ 3.94Å; I758-F762 WeakPolarHBondContact O-CD2 3.4Å; I758-F762 PolarHBondContact O-N 2.56Å
759L91Very high88.7Confident21 Ų2163.3 Ų63.311%0.1130%0.297CS..Hα-helixtrans-61.4-38.8175-71.3169.5000111.5K755 A756 F762 K763 K764 E767 A768 L771K755-L759 WeakPolarHBondContact O-CG 2.8Å; K755-L759 PolarHBondContact O-N 3.34Å; A756-L759 WeakPolarHBondContact O-CB 3.35Å; A756-L759 PolarHBondContact O-N 3.4Å; A756-L759 VanDerWaalsContact O-N 3.12Å; L759-F762 CarbonylContact O-C 3.56Å; L759-F762 PolarHBondContact O-N 3.06Å; L759-K763 PolarHBondContact O-N 2.78Å; L759-K764 HydrophobicContact CB-CB 4.46Å; L759-K764 HydrophobicContact CD2-CB 4.33Å; L759-K764 HydrophobicContact CD2-CD 4.16Å; L759-K764 PolarHBondContact O-N 3.21Å; L759-E767 HydrophobicContact CD1-CB 4.14Å; L759-E767 HydrophobicContact CD2-CB 4.34Å; L759-A768 HydrophobicContact CB-CB 3.83Å; L759-L771 HydrophobicContact CD1-CD2 4.05Å
760V89.4Confident89.1Confident26 Ų2657.5 Ų57.516%0.15827%0.274CS..Hα-helixtrans-63.2-41.7174.2175.20000111.2A756 E757 I758 F762 K763 A768 L784A756-V760 VanDerWaalsContact O-CG2 3.26Å; A756-V760 WeakPolarHBondContact O-CG2 3.49Å; A756-V760 PolarHBondContact O-N 3.49Å; E757-V760 PolarHBondContact O-N 3.41Å; I758-V760 VanDerWaalsContact C-N 3.28Å; I758-V760 PolarHBondContact O-N 3.13Å; V760-F762 VanDerWaalsContact C-N 3.29Å; V760-F762 PolarHBondContact O-N 2.99Å; V760-K763 PolarHBondContact O-N 2.88Å; V760-A768 HydrophobicContact CG2-CB 3.58Å; V760-L784 HydrophobicContact CB-CD1 4.28Å; V760-L784 HydrophobicContact CG1-CD1 3.85Å; V760-L784 HydrophobicContact CG2-CD1 3.35Å; V760-L784 HydrophobicContact CG2-CD2 3.82Å; V760-L784 HydrophobicContact CG2-CG 4.23Å
761Y88.1Confident89.3Confident76 Ų7656.8 Ų56.830%0.29827%0.267SS..Hα-helixtrans-60.7-37.9174.6-179.8-97.1000112.1L718 F730 F741 E757 I758 K763L718-Y761 HydrophobicContact CD1-CD1 3.89Å; L718-Y761 HydrophobicContact CD1-CE1 3.84Å; F730-Y761 WeakPolarHBondContact CE1-OH 3.25Å; F730-Y761 HydrophobicContact CZ-CE1 4.36Å; F730-Y761 AromaticContact CZ-CZ 4Å; F730-Y761 WeakPolarHBondContact CZ-OH 3.45Å; F741-Y761 HydrophobicContact CD1-CD1 4.47Å; F741-Y761 AromaticContact CD1-CD2 3.75Å; F741-Y761 HydrophobicContact CD1-CD2 3.75Å; F741-Y761 HydrophobicContact CD1-CE2 4.07Å; F741-Y761 AromaticContact CD1-CG 3.99Å; F741-Y761 HydrophobicContact CD1-CG 3.99Å; F741-Y761 HydrophobicContact CD2-CD2 4.24Å; F741-Y761 HydrophobicContact CE1-CD1 4.03Å; F741-Y761 AromaticContact CE1-CD2 3.79Å; F741-Y761 HydrophobicContact CE1-CD2 3.79Å; F741-Y761 HydrophobicContact CE1-CE2 4.47Å; F741-Y761 AromaticContact CE1-CG 3.55Å; F741-Y761 HydrophobicContact CE1-CG 3.55Å; F741-Y761 HydrophobicContact CE2-CD2 4.29Å; F741-Y761 HydrophobicContact CE2-CG 4.42Å; F741-Y761 AromaticContact CG-CD2 3.99Å; F741-Y761 HydrophobicContact CG-CD2 3.99Å; F741-Y761 HydrophobicContact CG-CE2 4.33Å; F741-Y761 VanDerWaalsContact CZ-CB 3.42Å; F741-Y761 HydrophobicContact CZ-CD2 4.08Å; F741-Y761 AromaticContact CZ-CG 3.81Å; F741-Y761 HydrophobicContact CZ-CG 3.81Å; E757-Y761 PolarHBondContact O-N 2.8Å; I758-Y761 WeakPolarHBondContact O-CB 3.4Å; I758-Y761 PolarHBondContact O-N 2.96Å; I758-Y761 VanDerWaalsContact O-N 3.16Å; Y761-K763 PolarHBondContact O-N 2.62Å
762F87.3Confident89.4Confident33 Ų3349.9 Ų49.915%0.14524%0.237CC..THydrogen-bonded Turntrans-76.68.5173-61-35.9000114.9E715 L718 E719 I758 L759 V760 K764E715-F762 HydrophobicContact CB-CE1 4Å; E715-F762 HydrophobicContact CB-CZ 4.1Å; E715-F762 HydrophobicContact CG-CD1 4.22Å; E715-F762 HydrophobicContact CG-CE1 3.63Å; E715-F762 HydrophobicContact CG-CZ 4.24Å; E715-F762 WeakPolarHBondContact O-CZ 3.47Å; L718-F762 HydrophobicContact CB-CE1 4.42Å; L718-F762 HydrophobicContact CB-CE2 4.43Å; L718-F762 HydrophobicContact CB-CZ 3.67Å; L718-F762 HydrophobicContact CD1-CE1 3.93Å; L718-F762 HydrophobicContact CD1-CZ 4.02Å; E719-F762 HydrophobicContact CG-CE2 3.73Å; E719-F762 HydrophobicContact CG-CZ 4.27Å; I758-F762 HydrophobicContact CG2-CD2 3.93Å; I758-F762 HydrophobicContact CG2-CE2 3.42Å; I758-F762 VanDerWaalsContact CG2-CE2 3.42Å; I758-F762 HydrophobicContact CG2-CZ 3.94Å; I758-F762 WeakPolarHBondContact O-CD2 3.4Å; I758-F762 PolarHBondContact O-N 2.56Å; L759-F762 CarbonylContact O-C 3.56Å; L759-F762 PolarHBondContact O-N 3.06Å; V760-F762 VanDerWaalsContact C-N 3.29Å; V760-F762 PolarHBondContact O-N 2.99Å; F762-K764 HydrophobicContact CB-CD 4.45Å; F762-K764 HydrophobicContact CB-CG 4.16Å; F762-K764 PolarHBondContact O-N 3.42Å; F762-K764 VanDerWaalsContact O-N 3.16Å
763K84.9Confident89.5Confident172 Ų17250.3 Ų50.375%0.74824%0.239SC*.THydrogen-bonded Turntrans59.918.9-175.7-52.1179.6179.3179.90113.9L759 V760 Y761 H765L759-K763 PolarHBondContact O-N 2.78Å; V760-K763 PolarHBondContact O-N 2.88Å; Y761-K763 PolarHBondContact O-N 2.62Å; K763-H765 VanDerWaalsContact C-N 3.27Å; K763-H765 PolarHBondContact O-N 2.89Å
764K87.5Confident89.5Confident79 Ų7954.7 Ų54.734%0.34326%0.263SS..  trans-90.263.3175.1-60.6-174.4-178.7179.70109.8L759 F762 D766 E767 A768L759-K764 HydrophobicContact CB-CB 4.46Å; L759-K764 HydrophobicContact CD2-CB 4.33Å; L759-K764 HydrophobicContact CD2-CD 4.16Å; L759-K764 PolarHBondContact O-N 3.21Å; F762-K764 HydrophobicContact CB-CD 4.45Å; F762-K764 HydrophobicContact CB-CG 4.16Å; F762-K764 PolarHBondContact O-N 3.42Å; F762-K764 VanDerWaalsContact O-N 3.16Å; K764-D766 PolarHBondContact O-N 2.93Å; K764-E767 HydrophobicContact CB-CB 4.24Å; K764-E767 HydrophobicContact CB-CG 4.46Å; K764-E767 PolarHBondContact O-N 3.22Å; K764-A768 PolarHBondContact O-N 3.27Å; K764-A768 VanDerWaalsContact O-N 3.11Å
765H89Confident89.4Confident49 Ų4956 Ų5623%0.22727%0.274CS..Hα-helixtrans-64.8-38-171.5-56.6-52.7000112.9K763 A768 E769 L788K763-H765 VanDerWaalsContact C-N 3.27Å; K763-H765 PolarHBondContact O-N 2.89Å; H765-A768 PolarHBondContact O-N 3.3Å; H765-E769 WeakPolarHBondContact O-CB 3.29Å; H765-E769 PolarHBondContact O-N 3.4Å; H765-L788 HydrophobicContact CB-CD1 3.81Å; H765-L788 VanDerWaalsContact CE1-CD2 3.42Å; H765-L788 WeakPolarHBondContact CE1-CD2 3.45Å; H765-L788 VanDerWaalsContact CG-CD1 3.48Å
766D88.3Confident89.1Confident107 Ų10758 Ų5857%0.57229%0.289SS*.Hα-helixtrans-67.6-39.9179.4-57.3-36.2000112.1K764 A768 E769 T770 R785K764-D766 PolarHBondContact O-N 2.93Å; D766-A768 VanDerWaalsContact C-N 3.33Å; D766-E769 PolarHBondContact O-N 2.93Å; D766-T770 WeakPolarHBondContact O-CG2 3.47Å; D766-T770 PolarHBondContact O-N 3.14Å; D766-T770 PolarHBondContact O-OG1 3.39Å; D766-R785 IonicContact OD1-CZ 2.76Å; D766-R785 IonicContact OD1-NH1 2.9Å; D766-R785 IonicContact OD1-NH2 2.7Å; D766-R785 PolarHBondContact OD1-NH2 3.45Å
767E89.5Confident89Confident99 Ų9962.2 Ų62.246%0.46330%0.304SS..Hα-helixtrans-65.8-36.5174.1-67.1-178.6-154.500111.8L759 K764 T770 L771L759-E767 HydrophobicContact CD1-CB 4.14Å; L759-E767 HydrophobicContact CD2-CB 4.34Å; K764-E767 HydrophobicContact CB-CB 4.24Å; K764-E767 HydrophobicContact CB-CG 4.46Å; K764-E767 PolarHBondContact O-N 3.22Å; E767-T770 WeakPolarHBondContact CA-OG1 3.28Å; E767-T770 PolarHBondContact O-OG1 2.87Å; E767-L771 VanDerWaalsContact O-CB 3.3Å; E767-L771 WeakPolarHBondContact O-CB 3.31Å; E767-L771 PolarHBondContact O-N 3.27Å
768A90.8Very high88.8Confident0 Ų063 Ų630%031%0.312CS..Hα-helixtrans-67.7-43.2175.200000112L759 V760 K764 H765 D766 L771 L772 L784L759-A768 HydrophobicContact CB-CB 3.83Å; V760-A768 HydrophobicContact CG2-CB 3.58Å; K764-A768 PolarHBondContact O-N 3.27Å; K764-A768 VanDerWaalsContact O-N 3.11Å; H765-A768 PolarHBondContact O-N 3.3Å; D766-A768 VanDerWaalsContact C-N 3.33Å; A768-L771 PolarHBondContact O-N 2.98Å; A768-L772 WeakPolarHBondContact O-CG 3.45Å; A768-L772 PolarHBondContact O-N 2.88Å; A768-L772 VanDerWaalsContact O-N 3.07Å; A768-L784 HydrophobicContact CB-CD2 3.92Å
769E90.8Very high88.6Confident7 Ų766.3 Ų66.33%0.03333%0.33CS..Hα-helixtrans-61.7-50.3176.8-176.6-171.6119.300111.1H765 D766 L771 L772 L773 A781 R785 R793H765-E769 WeakPolarHBondContact O-CB 3.29Å; H765-E769 PolarHBondContact O-N 3.4Å; D766-E769 PolarHBondContact O-N 2.93Å; E769-L771 VanDerWaalsContact C-N 3.28Å; E769-L771 PolarHBondContact O-N 3.46Å; E769-L772 PolarHBondContact O-N 2.7Å; E769-L772 VanDerWaalsContact O-N 3.08Å; E769-L773 HydrophobicContact CG-CD1 3.84Å; E769-L773 HydrophobicContact CG-CG 4.26Å; E769-L773 WeakPolarHBondContact O-CG 3.3Å; E769-L773 PolarHBondContact O-N 2.86Å; E769-A781 HydrophobicContact CG-CB 4.3Å; E769-R785 IonicContact OE2-CZ 3.72Å; E769-R785 IonicContact OE2-NE 3.97Å; E769-R785 PolarHBondContact OE2-NE 2.86Å; E769-R785 IonicContact OE2-NH2 2.95Å; E769-R785 PolarHBondContact OE2-NH2 3.34Å; E769-R793 IonicContact OE1-CZ 3.36Å; E769-R793 VanDerWaalsContact OE1-CZ 3.29Å; E769-R793 IonicContact OE1-NE 3.64Å; E769-R793 PolarHBondContact OE1-NE 2.91Å; E769-R793 VanDerWaalsContact OE1-NE 3.08Å; E769-R793 IonicContact OE1-NH2 2.91Å; E769-R793 PolarHBondContact OE1-NH2 2.92Å; E769-R793 IonicContact OE2-NE 3.25Å; E769-R793 PolarHBondContact OE2-NE 2.79Å
770T91.2Very high88.4Confident69 Ų6966.9 Ų66.942%0.42333%0.333SS..Hα-helixtrans-60.5-38.3178.149.70000112.1D766 E767 L772 N774D766-T770 WeakPolarHBondContact O-CG2 3.47Å; D766-T770 PolarHBondContact O-N 3.14Å; D766-T770 PolarHBondContact O-OG1 3.39Å; E767-T770 WeakPolarHBondContact CA-OG1 3.28Å; E767-T770 PolarHBondContact O-OG1 2.87Å; T770-L772 VanDerWaalsContact C-N 3.35Å; T770-L772 PolarHBondContact O-N 3.49Å; T770-N774 VanDerWaalsContact O-CB 3.24Å; T770-N774 WeakPolarHBondContact O-CB 3.38Å; T770-N774 PolarHBondContact O-N 2.82Å; T770-N774 PolarHBondContact O-ND2 3.1Å
771L90.5Very high88.4Confident34 Ų3465.6 Ų65.618%0.17833%0.325CS..Hα-helixtrans-61.9-41.1174-175.369.6000112.2L752 K755 A756 L759 E767 A768 E769 N775L752-L771 HydrophobicContact CD2-CD2 4.49Å; L752-L771 HydrophobicContact CD2-CG 4.19Å; K755-L771 HydrophobicContact CB-CD2 4Å; K755-L771 HydrophobicContact CD-CD2 4.09Å; K755-L771 HydrophobicContact CG-CD2 3.94Å; A756-L771 HydrophobicContact CB-CD2 4.12Å; L759-L771 HydrophobicContact CD1-CD2 4.05Å; E767-L771 VanDerWaalsContact O-CB 3.3Å; E767-L771 WeakPolarHBondContact O-CB 3.31Å; E767-L771 PolarHBondContact O-N 3.27Å; A768-L771 PolarHBondContact O-N 2.98Å; E769-L771 VanDerWaalsContact C-N 3.28Å; E769-L771 PolarHBondContact O-N 3.46Å; L771-N775 PolarHBondContact O-ND2 2.97Å
772L89.8Confident88.4Confident8 Ų863 Ų634%0.04232%0.317CS..Hα-helixtrans-71.4-43.4178.8-69.7170.1000112L752 A756 A768 E769 T770 N775 D776 R777 L780 A781 L784L752-L772 HydrophobicContact CD2-CD2 4.37Å; A756-L772 HydrophobicContact CB-CD1 4.36Å; A756-L772 HydrophobicContact CB-CD2 3.95Å; A756-L772 HydrophobicContact CB-CG 4.02Å; A768-L772 WeakPolarHBondContact O-CG 3.45Å; A768-L772 PolarHBondContact O-N 2.88Å; A768-L772 VanDerWaalsContact O-N 3.07Å; E769-L772 PolarHBondContact O-N 2.7Å; E769-L772 VanDerWaalsContact O-N 3.08Å; T770-L772 VanDerWaalsContact C-N 3.35Å; T770-L772 PolarHBondContact O-N 3.49Å; L772-N775 CarbonylContact O-C 3.54Å; L772-N775 PolarHBondContact O-N 3.17Å; L772-D776 PolarHBondContact O-N 3.23Å; L772-R777 HydrophobicContact CB-CB 4.47Å; L772-R777 HydrophobicContact CD2-CB 4.28Å; L772-R777 PolarHBondContact O-N 3.11Å; L772-L780 HydrophobicContact CD1-CB 4.04Å; L772-L780 HydrophobicContact CD2-CB 4.05Å; L772-L780 HydrophobicContact CD2-CD1 4.07Å; L772-A781 HydrophobicContact CB-CB 4.24Å; L772-L784 HydrophobicContact CD1-CD2 4.2Å
773L89.1Confident88.5Confident53 Ų5366.3 Ų66.328%0.27733%0.333SS..Hα-helixtrans-63.9-43.2177.8-70.1175.1000112E769 N775 D776 A781 L797E769-L773 HydrophobicContact CG-CD1 3.84Å; E769-L773 HydrophobicContact CG-CG 4.26Å; E769-L773 WeakPolarHBondContact O-CG 3.3Å; E769-L773 PolarHBondContact O-N 2.86Å; L773-N775 PolarHBondContact O-N 3.18Å; L773-N775 VanDerWaalsContact O-N 3.08Å; L773-D776 PolarHBondContact O-N 3.29Å; L773-D776 VanDerWaalsContact O-N 3.16Å; L773-A781 HydrophobicContact CD2-CB 4.04Å; L773-A781 HydrophobicContact CG-CB 4.25Å; L773-L797 HydrophobicContact CD1-CD2 4.26Å; L773-L797 HydrophobicContact CD2-CD2 4.46Å
774N89.8Confident88.7Confident131 Ų13158.2 Ų58.270%0.70130%0.298SS*.THydrogen-bonded Turntrans-65.2-11.4177.8-72.7-17.1000113.8T770T770-N774 VanDerWaalsContact O-CB 3.24Å; T770-N774 WeakPolarHBondContact O-CB 3.38Å; T770-N774 PolarHBondContact O-N 2.82Å; T770-N774 PolarHBondContact O-ND2 3.1Å
775N87.7Confident88.8Confident73 Ų7355.4 Ų55.439%0.3929%0.285SS..THydrogen-bonded Turntrans-118.125.5178.8-69.8-88.4000112.2L752 L771 L772 L773 R777L752-N775 HydrophobicContact CD1-CB 3.57Å; L752-N775 WeakPolarHBondContact CD1-ND2 3.35Å; L752-N775 WeakPolarHBondContact CD1-OD1 3.42Å; L752-N775 HydrophobicContact CD2-CB 4.27Å; L771-N775 PolarHBondContact O-ND2 2.97Å; L772-N775 CarbonylContact O-C 3.54Å; L772-N775 PolarHBondContact O-N 3.17Å; L773-N775 PolarHBondContact O-N 3.18Å; L773-N775 VanDerWaalsContact O-N 3.08Å; N775-R777 PolarHBondContact O-N 3.28Å
776D84.6Confident88.9Confident149 Ų14956.7 Ų56.780%0.79729%0.29SS*.THydrogen-bonded Turntrans57.530.3175.3-57.2-38.3000114.4L772 L773L772-D776 PolarHBondContact O-N 3.23Å; L773-D776 PolarHBondContact O-N 3.29Å; L773-D776 VanDerWaalsContact O-N 3.16Å
777R86.9Confident88.9Confident93 Ų9356.8 Ų56.835%0.35128%0.282SS..  trans-108.558.2176.4-63.9-56.8-59.8-107.32.4112L772 N775 D779 L780 A781L772-R777 HydrophobicContact CB-CB 4.47Å; L772-R777 HydrophobicContact CD2-CB 4.28Å; L772-R777 PolarHBondContact O-N 3.11Å; N775-R777 PolarHBondContact O-N 3.28Å; R777-D779 VanDerWaalsContact C-N 3.27Å; R777-D779 VanDerWaalsContact C-OD1 3.26Å; R777-D779 WeakPolarHBondContact CA-OD1 3.46Å; R777-D779 IonicContact CZ-OD1 2.69Å; R777-D779 IonicContact CZ-OD2 3.19Å; R777-D779 IonicContact NE-OD1 2.83Å; R777-D779 PolarHBondContact NE-OD1 2.65Å; R777-D779 IonicContact NE-OD2 2.68Å; R777-D779 IonicContact NH2-OD1 3.75Å; R777-D779 IonicContact NH2-OD2 2.9Å; R777-D779 PolarHBondContact NH2-OD2 3.18Å; R777-D779 PolarHBondContact O-N 3.31Å; R777-L780 HydrophobicContact CB-CB 4.34Å; R777-L780 HydrophobicContact CB-CD1 4.18Å; R777-L780 HydrophobicContact CB-CG 4.41Å; R777-L780 HydrophobicContact CG-CD1 4.4Å; R777-L780 PolarHBondContact O-N 3.47Å; R777-A781 PolarHBondContact O-N 3.2Å
778S86.4Confident88.7Confident38 Ų3855.3 Ų55.327%0.26628%0.277SS..Hα-helixtrans-63.3-31.8177.551.30000113.1L780 A781 V782S778-L780 PolarHBondContact O-N 3.48Å; S778-A781 PolarHBondContact O-N 3.04Å; S778-V782 WeakPolarHBondContact O-CG2 3.45Å; S778-V782 PolarHBondContact O-N 2.82Å
779D87.4Confident88.4Confident76 Ų7657.1 Ų57.141%0.40630%0.296SS..Hα-helixtrans-52.4-52.117262.4-38.5000111.7R777 A781 V782 E783R777-D779 VanDerWaalsContact C-N 3.27Å; R777-D779 VanDerWaalsContact C-OD1 3.26Å; R777-D779 WeakPolarHBondContact CA-OD1 3.46Å; R777-D779 IonicContact CZ-OD1 2.69Å; R777-D779 IonicContact CZ-OD2 3.19Å; R777-D779 IonicContact NE-OD1 2.83Å; R777-D779 PolarHBondContact NE-OD1 2.65Å; R777-D779 IonicContact NE-OD2 2.68Å; R777-D779 IonicContact NH2-OD1 3.75Å; R777-D779 IonicContact NH2-OD2 2.9Å; R777-D779 PolarHBondContact NH2-OD2 3.18Å; R777-D779 PolarHBondContact O-N 3.31Å; D779-A781 VanDerWaalsContact C-N 3.35Å; D779-A781 PolarHBondContact O-N 2.87Å; D779-V782 PolarHBondContact O-N 2.78Å; D779-E783 PolarHBondContact O-N 3.05Å
780L88.5Confident88.3Confident32 Ų3259 Ų5917%0.16831%0.306CS..Hα-helixtrans-71.1-30.4-179.6-65.1-177.5000112.4I753 L772 R777 S778 L784I753-L780 HydrophobicContact CD1-CD1 3.91Å; I753-L780 HydrophobicContact CG1-CD1 4.06Å; L772-L780 HydrophobicContact CD1-CB 4.04Å; L772-L780 HydrophobicContact CD2-CB 4.05Å; L772-L780 HydrophobicContact CD2-CD1 4.07Å; R777-L780 HydrophobicContact CB-CB 4.34Å; R777-L780 HydrophobicContact CB-CD1 4.18Å; R777-L780 HydrophobicContact CB-CG 4.41Å; R777-L780 HydrophobicContact CG-CD1 4.4Å; R777-L780 PolarHBondContact O-N 3.47Å; S778-L780 PolarHBondContact O-N 3.48Å; L780-L784 WeakPolarHBondContact O-CB 3.38Å; L780-L784 PolarHBondContact O-N 2.53Å
781A88.7Confident88.2Confident0 Ų058 Ų580%030%0.295CS..Hα-helixtrans-67.8-42.2176.300000111.6E769 L772 L773 R777 S778 D779 L784 R785E769-A781 HydrophobicContact CG-CB 4.3Å; L772-A781 HydrophobicContact CB-CB 4.24Å; L773-A781 HydrophobicContact CD2-CB 4.04Å; L773-A781 HydrophobicContact CG-CB 4.25Å; R777-A781 PolarHBondContact O-N 3.2Å; S778-A781 PolarHBondContact O-N 3.04Å; D779-A781 VanDerWaalsContact C-N 3.35Å; D779-A781 PolarHBondContact O-N 2.87Å; A781-L784 PolarHBondContact O-N 3.18Å; A781-R785 PolarHBondContact O-N 3.02Å; A781-R785 VanDerWaalsContact O-N 3.15Å
782V88.6Confident88.3Confident20 Ų2059.8 Ų59.812%0.12130%0.301CS..Hα-helixtrans-64.9-46.8173.9173.10000110.7S778 D779 L784 R785 K786 V794 L797 T798 I803S778-V782 WeakPolarHBondContact O-CG2 3.45Å; S778-V782 PolarHBondContact O-N 2.82Å; D779-V782 PolarHBondContact O-N 2.78Å; V782-L784 VanDerWaalsContact C-N 3.29Å; V782-L784 PolarHBondContact O-N 3.02Å; V782-R785 PolarHBondContact O-N 3.13Å; V782-K786 WeakPolarHBondContact O-CB 3.34Å; V782-K786 PolarHBondContact O-N 2.96Å; V782-V794 HydrophobicContact CG1-CG1 4.25Å; V782-L797 HydrophobicContact CG2-CB 3.85Å; V782-L797 HydrophobicContact CG2-CD1 4.49Å; V782-T798 HydrophobicContact CG1-CG2 4.12Å; V782-T798 HydrophobicContact CG2-CG2 4.37Å; V782-I803 HydrophobicContact CG2-CD1 4Å
783E88.6Confident88.2Confident104 Ų10462.3 Ų62.349%0.48631%0.31SS..Hα-helixtrans-61.5-38.1177.2-170.2-175.4171.800112D779 K786 R787D779-E783 PolarHBondContact O-N 3.05Å; E783-K786 PolarHBondContact O-N 2.96Å; E783-R787 WeakPolarHBondContact O-CG 3.46Å; E783-R787 PolarHBondContact O-N 2.82Å
784L89Confident88.2Confident2 Ų259.9 Ų59.91%0.0130%0.298CS..Hα-helixtrans-59.2-51.517517360.1000111.4V760 A768 L772 L780 A781 V782 K786 R787 L788V760-L784 HydrophobicContact CB-CD1 4.28Å; V760-L784 HydrophobicContact CG1-CD1 3.85Å; V760-L784 HydrophobicContact CG2-CD1 3.35Å; V760-L784 HydrophobicContact CG2-CD2 3.82Å; V760-L784 HydrophobicContact CG2-CG 4.23Å; A768-L784 HydrophobicContact CB-CD2 3.92Å; L772-L784 HydrophobicContact CD1-CD2 4.2Å; L780-L784 WeakPolarHBondContact O-CB 3.38Å; L780-L784 PolarHBondContact O-N 2.53Å; A781-L784 PolarHBondContact O-N 3.18Å; V782-L784 VanDerWaalsContact C-N 3.29Å; V782-L784 PolarHBondContact O-N 3.02Å; L784-K786 VanDerWaalsContact C-N 3.33Å; L784-K786 PolarHBondContact O-N 2.87Å; L784-R787 PolarHBondContact O-N 3.15Å; L784-L788 HydrophobicContact CD1-CD1 4.24Å; L784-L788 HydrophobicContact CG-CD1 4.32Å; L784-L788 WeakPolarHBondContact O-CG 3.34Å; L784-L788 PolarHBondContact O-N 3.3Å; L784-L788 VanDerWaalsContact O-N 3.15Å
785R90.7Very high88.1Confident19 Ų1955 Ų557%0.07228%0.275CS..Hα-helixtrans-66.8-35.2179.6-72-69.6-175.9170.2-3112.5D766 E769 A781 V782 L788 G789 D790 R793 V794 L797D766-R785 IonicContact OD1-CZ 2.76Å; D766-R785 IonicContact OD1-NH1 2.9Å; D766-R785 IonicContact OD1-NH2 2.7Å; D766-R785 PolarHBondContact OD1-NH2 3.45Å; E769-R785 IonicContact OE2-CZ 3.72Å; E769-R785 IonicContact OE2-NE 3.97Å; E769-R785 PolarHBondContact OE2-NE 2.86Å; E769-R785 IonicContact OE2-NH2 2.95Å; E769-R785 PolarHBondContact OE2-NH2 3.34Å; A781-R785 PolarHBondContact O-N 3.02Å; A781-R785 VanDerWaalsContact O-N 3.15Å; V782-R785 PolarHBondContact O-N 3.13Å; R785-L788 PolarHBondContact O-N 3.42Å; R785-G789 PolarHBondContact O-N 3.25Å; R785-D790 IonicContact CZ-OD2 2.64Å; R785-D790 IonicContact NE-OD2 3.16Å; R785-D790 IonicContact NH1-OD2 3.53Å; R785-D790 PolarHBondContact NH1-OD2 3.43Å; R785-D790 PolarHBondContact O-N 2.98Å; R785-D790 VanDerWaalsContact O-N 3.1Å; R785-R793 HydrophobicContact CG-CB 4.25Å; R785-R793 HydrophobicContact CG-CG 3.88Å; R785-V794 HydrophobicContact CB-CG2 3.58Å; R785-L797 HydrophobicContact CB-CD1 4.43Å; R785-L797 HydrophobicContact CG-CD1 3.86Å
786K89.3Confident88.2Confident76 Ų7655.9 Ų55.933%0.3328%0.277SS..Hα-helixtrans-61.6-43.7172.8-170.3173.6-178.5173.90111.4V782 E783 L784 L788 G789 W791 V794 E812V782-K786 WeakPolarHBondContact O-CB 3.34Å; V782-K786 PolarHBondContact O-N 2.96Å; E783-K786 PolarHBondContact O-N 2.96Å; L784-K786 VanDerWaalsContact C-N 3.33Å; L784-K786 PolarHBondContact O-N 2.87Å; K786-L788 VanDerWaalsContact C-N 3.26Å; K786-L788 PolarHBondContact O-N 3.4Å; K786-G789 PolarHBondContact O-N 3.36Å; K786-G789 VanDerWaalsContact O-N 3.11Å; K786-W791 HydrophobicContact CD-CZ3 4.37Å; K786-W791 HydrophobicContact CG-CH2 3.94Å; K786-W791 HydrophobicContact CG-CZ3 3.93Å; K786-V794 HydrophobicContact CB-CG2 4.15Å; K786-E812 WeakPolarHBondContact CE-OE1 3.45Å; K786-E812 IonicContact NZ-OE1 2.71Å; K786-E812 PolarHBondContact NZ-OE1 2.74Å; K786-E812 IonicContact NZ-OE2 2.72Å; K786-E812 PolarHBondContact NZ-OE2 2.98Å
787R88.6Confident88.3Confident109 Ų10949 Ų4941%0.41124%0.24SC..Hα-helixtrans-62.5-30174.3-77.2-170.1-72.5161.8-12.8113.4R744 E757 E783 L784 G789R744-R787 VanDerWaalsContact NH2-NH1 3.13Å; E757-R787 IonicContact OE1-CZ 3.87Å; E757-R787 IonicContact OE1-NH1 3.57Å; E757-R787 PolarHBondContact OE1-NH1 3.09Å; E757-R787 IonicContact OE1-NH2 2.69Å; E757-R787 PolarHBondContact OE1-NH2 2.81Å; E757-R787 IonicContact OE2-NH1 3.69Å; E783-R787 WeakPolarHBondContact O-CG 3.46Å; E783-R787 PolarHBondContact O-N 2.82Å; L784-R787 PolarHBondContact O-N 3.15Å; R787-G789 VanDerWaalsContact C-N 3.33Å
788L85.5Confident88.2Confident69 Ų6945.3 Ų45.336%0.36123%0.228SC..Hα-helixtrans-81.9-10.3177-65.5169.7000113.2H765 L784 R785 K786 D790H765-L788 HydrophobicContact CB-CD1 3.81Å; H765-L788 VanDerWaalsContact CE1-CD2 3.42Å; H765-L788 WeakPolarHBondContact CE1-CD2 3.45Å; H765-L788 VanDerWaalsContact CG-CD1 3.48Å; L784-L788 HydrophobicContact CD1-CD1 4.24Å; L784-L788 HydrophobicContact CG-CD1 4.32Å; L784-L788 WeakPolarHBondContact O-CG 3.34Å; L784-L788 PolarHBondContact O-N 3.3Å; L784-L788 VanDerWaalsContact O-N 3.15Å; R785-L788 PolarHBondContact O-N 3.42Å; K786-L788 VanDerWaalsContact C-N 3.26Å; K786-L788 PolarHBondContact O-N 3.4Å; L788-D790 VanDerWaalsContact C-N 3.26Å; L788-D790 PolarHBondContact O-N 2.91Å
789G85.7Confident88.2Confident38 Ų3852 Ų5239%0.39225%0.252SS..THydrogen-bonded Turntrans72.416.4-173.800000113.9R785 K786 R787 W791R785-G789 PolarHBondContact O-N 3.25Å; K786-G789 PolarHBondContact O-N 3.36Å; K786-G789 VanDerWaalsContact O-N 3.11Å; R787-G789 VanDerWaalsContact C-N 3.33Å; G789-W791 VanDerWaalsContact C-N 3.25Å; G789-W791 PolarHBondContact O-N 2.84Å
790D87.4Confident88Confident47 Ų4753.4 Ų53.425%0.25126%0.26SS..  trans-83.869.3178.7-173.9-3.8000110.5R785 L788 F792 R793 V794R785-D790 IonicContact CZ-OD2 2.64Å; R785-D790 IonicContact NE-OD2 3.16Å; R785-D790 IonicContact NH1-OD2 3.53Å; R785-D790 PolarHBondContact NH1-OD2 3.43Å; R785-D790 PolarHBondContact O-N 2.98Å; R785-D790 VanDerWaalsContact O-N 3.1Å; L788-D790 VanDerWaalsContact C-N 3.26Å; L788-D790 PolarHBondContact O-N 2.91Å; D790-F792 PolarHBondContact O-N 3.24Å; D790-R793 HydrophobicContact CB-CB 4.42Å; D790-R793 VanDerWaalsContact CG-CB 3.46Å; D790-R793 PolarHBondContact O-N 3.37Å; D790-R793 WeakPolarHBondContact OD1-CB 3.45Å; D790-R793 PolarHBondContact OD1-N 2.87Å; D790-R793 VanDerWaalsContact OD2-CB 3.3Å; D790-R793 WeakPolarHBondContact OD2-CB 3.31Å; D790-V794 WeakPolarHBondContact O-CG2 3.35Å; D790-V794 PolarHBondContact O-N 3.01Å
791W90.1Very high87.6Confident47 Ų4754.3 Ų54.318%0.17827%0.267CS..Hα-helixtrans-62.8-27.1-173.1-61.1107.9000113.7K786 G789 V794 A795 E812 I813 G816 I817K786-W791 HydrophobicContact CD-CZ3 4.37Å; K786-W791 HydrophobicContact CG-CH2 3.94Å; K786-W791 HydrophobicContact CG-CZ3 3.93Å; G789-W791 VanDerWaalsContact C-N 3.25Å; G789-W791 PolarHBondContact O-N 2.84Å; W791-V794 PolarHBondContact O-N 3.28Å; W791-A795 WeakPolarHBondContact O-CB 3.39Å; W791-A795 PolarHBondContact O-N 2.95Å; W791-E812 HydrophobicContact CH2-CG 4.02Å; W791-E812 HydrophobicContact CZ3-CG 4.27Å; W791-I813 HydrophobicContact CE3-CG1 4.34Å; W791-G816 VanDerWaalsContact CD1-CA 3.49Å; W791-G816 VanDerWaalsContact CD1-O 3.3Å; W791-I817 HydrophobicContact CB-CG1 3.65Å
792F90.9Very high87Confident72 Ų7257.1 Ų57.132%0.31630%0.296SS..Hα-helixtrans-66-48.6174.1-65.1-83.8000111.4D790 V794 A795 Q796 I817 Y820 Y821D790-F792 PolarHBondContact O-N 3.24Å; F792-V794 VanDerWaalsContact C-N 3.32Å; F792-A795 PolarHBondContact O-N 3.5Å; F792-Q796 PolarHBondContact O-N 2.97Å; F792-Q796 VanDerWaalsContact O-N 3.08Å; F792-I817 HydrophobicContact CD1-CD1 4.44Å; F792-I817 HydrophobicContact CD1-CG2 4.43Å; F792-I817 HydrophobicContact CE1-CG2 3.67Å; F792-I817 HydrophobicContact CE2-CG2 4.48Å; F792-I817 HydrophobicContact CZ-CG2 3.71Å; F792-Y820 AromaticContact CE2-CD1 3.4Å; F792-Y820 HydrophobicContact CE2-CD1 3.4Å; F792-Y820 VanDerWaalsContact CE2-CD1 3.4Å; F792-Y820 HydrophobicContact CE2-CD2 4.16Å; F792-Y820 AromaticContact CE2-CE1 3.62Å; F792-Y820 HydrophobicContact CE2-CE1 3.62Å; F792-Y820 HydrophobicContact CE2-CE2 4.33Å; F792-Y820 AromaticContact CE2-CG 3.68Å; F792-Y820 HydrophobicContact CE2-CG 3.68Å; F792-Y820 AromaticContact CZ-CD1 3.63Å; F792-Y820 HydrophobicContact CZ-CD1 3.63Å; F792-Y820 AromaticContact CZ-CE1 3.87Å; F792-Y820 HydrophobicContact CZ-CE1 3.87Å; F792-Y820 HydrophobicContact CZ-CG 4.29Å; F792-Y821 AromaticContact CE1-CE2 3.98Å; F792-Y821 HydrophobicContact CE1-CE2 3.98Å; F792-Y821 HydrophobicContact CZ-CD2 4.47Å; F792-Y821 AromaticContact CZ-CE2 3.64Å; F792-Y821 HydrophobicContact CZ-CE2 3.64Å; F792-Y821 AromaticContact CZ-CZ 3.75Å
793R88.3Confident86.3Confident60 Ų6059.3 Ų59.323%0.22631%0.306CS..Hα-helixtrans-68.3-33.9177.4-170.659.6178.1161.24.4111.5E769 R785 D790 Q796 L797E769-R793 IonicContact OE1-CZ 3.36Å; E769-R793 VanDerWaalsContact OE1-CZ 3.29Å; E769-R793 IonicContact OE1-NE 3.64Å; E769-R793 PolarHBondContact OE1-NE 2.91Å; E769-R793 VanDerWaalsContact OE1-NE 3.08Å; E769-R793 IonicContact OE1-NH2 2.91Å; E769-R793 PolarHBondContact OE1-NH2 2.92Å; E769-R793 IonicContact OE2-NE 3.25Å; E769-R793 PolarHBondContact OE2-NE 2.79Å; R785-R793 HydrophobicContact CG-CB 4.25Å; R785-R793 HydrophobicContact CG-CG 3.88Å; D790-R793 HydrophobicContact CB-CB 4.42Å; D790-R793 VanDerWaalsContact CG-CB 3.46Å; D790-R793 PolarHBondContact O-N 3.37Å; D790-R793 WeakPolarHBondContact OD1-CB 3.45Å; D790-R793 PolarHBondContact OD1-N 2.87Å; D790-R793 VanDerWaalsContact OD2-CB 3.3Å; D790-R793 WeakPolarHBondContact OD2-CB 3.31Å; R793-Q796 PolarHBondContact O-N 2.95Å; R793-L797 HydrophobicContact CG-CD1 4.1Å; R793-L797 HydrophobicContact CG-CG 4.27Å; R793-L797 WeakPolarHBondContact O-CB 3.4Å; R793-L797 VanDerWaalsContact O-CG 3.3Å; R793-L797 WeakPolarHBondContact O-CG 3.47Å; R793-L797 PolarHBondContact O-N 2.78Å
794V89.5Confident85.5Confident3 Ų362.5 Ų62.52%0.01833%0.326CS..Hα-helixtrans-57.7-51.6171.7173.80000110.7V782 R785 K786 D790 W791 F792 Q796 L797 T798 I813V782-V794 HydrophobicContact CG1-CG1 4.25Å; R785-V794 HydrophobicContact CB-CG2 3.58Å; K786-V794 HydrophobicContact CB-CG2 4.15Å; D790-V794 WeakPolarHBondContact O-CG2 3.35Å; D790-V794 PolarHBondContact O-N 3.01Å; W791-V794 PolarHBondContact O-N 3.28Å; F792-V794 VanDerWaalsContact C-N 3.32Å; V794-Q796 VanDerWaalsContact C-N 3.29Å; V794-Q796 PolarHBondContact O-N 3.49Å; V794-L797 PolarHBondContact O-N 3.17Å; V794-T798 PolarHBondContact O-N 3.43Å; V794-T798 PolarHBondContact O-OG1 2.66Å; V794-I813 HydrophobicContact CG1-CD1 3.73Å; V794-I813 HydrophobicContact CG1-CG1 4Å
795A88.3Confident84.7Confident27 Ų2765.1 Ų65.122%0.22334%0.339CS..Hα-helixtrans-57.8-42.4178.900000112W791 F792 T798 K799 I813 I817W791-A795 WeakPolarHBondContact O-CB 3.39Å; W791-A795 PolarHBondContact O-N 2.95Å; F792-A795 PolarHBondContact O-N 3.5Å; A795-T798 WeakPolarHBondContact CA-OG1 3.43Å; A795-T798 PolarHBondContact O-OG1 3.1Å; A795-K799 PolarHBondContact O-N 3.25Å; A795-I813 HydrophobicContact CB-CG2 3.8Å; A795-I817 HydrophobicContact CB-CD1 4.4Å
796Q88.9Confident84.3Confident93 Ų9371.4 Ų71.444%0.43537%0.367SS..Hα-helixtrans-65.8-48.8177.1-172178.28.500112F792 R793 V794 T798 K799 D800F792-Q796 PolarHBondContact O-N 2.97Å; F792-Q796 VanDerWaalsContact O-N 3.08Å; R793-Q796 PolarHBondContact O-N 2.95Å; V794-Q796 VanDerWaalsContact C-N 3.29Å; V794-Q796 PolarHBondContact O-N 3.49Å; Q796-T798 PolarHBondContact O-N 3.48Å; Q796-K799 WeakPolarHBondContact O-CB 3.46Å; Q796-K799 PolarHBondContact O-N 3.24Å; Q796-K799 VanDerWaalsContact O-N 3.15Å; Q796-D800 WeakPolarHBondContact CG-OD2 3.49Å; Q796-D800 WeakPolarHBondContact O-CB 3.33Å; Q796-D800 VanDerWaalsContact O-CG 3.3Å; Q796-D800 PolarHBondContact O-N 2.9Å
797L86.5Confident83.9Confident3 Ų374.2 Ų74.22%0.01639%0.385CS..Hα-helixtrans-60-45.4179-74.4172.5000111.4L773 V782 R785 R793 V794 K799 D800 T801L773-L797 HydrophobicContact CD1-CD2 4.26Å; L773-L797 HydrophobicContact CD2-CD2 4.46Å; V782-L797 HydrophobicContact CG2-CB 3.85Å; V782-L797 HydrophobicContact CG2-CD1 4.49Å; R785-L797 HydrophobicContact CB-CD1 4.43Å; R785-L797 HydrophobicContact CG-CD1 3.86Å; R793-L797 HydrophobicContact CG-CD1 4.1Å; R793-L797 HydrophobicContact CG-CG 4.27Å; R793-L797 WeakPolarHBondContact O-CB 3.4Å; R793-L797 VanDerWaalsContact O-CG 3.3Å; R793-L797 WeakPolarHBondContact O-CG 3.47Å; R793-L797 PolarHBondContact O-N 2.78Å; V794-L797 PolarHBondContact O-N 3.17Å; L797-K799 PolarHBondContact O-N 2.93Å; L797-D800 PolarHBondContact O-N 3.18Å; L797-T801 WeakPolarHBondContact O-CB 3.44Å; L797-T801 WeakPolarHBondContact O-CG2 3.45Å; L797-T801 PolarHBondContact O-N 2.91Å; L797-T801 PolarHBondContact O-OG1 3.1Å
798T86Confident83.7Confident17 Ų1775.9 Ų75.910%0.10440%0.402CS..Hα-helixtrans-59.5-34.7177.845.30000112.8V782 V794 A795 Q796 G802 I803 M805 I813V782-T798 HydrophobicContact CG1-CG2 4.12Å; V782-T798 HydrophobicContact CG2-CG2 4.37Å; V794-T798 PolarHBondContact O-N 3.43Å; V794-T798 PolarHBondContact O-OG1 2.66Å; A795-T798 WeakPolarHBondContact CA-OG1 3.43Å; A795-T798 PolarHBondContact O-OG1 3.1Å; Q796-T798 PolarHBondContact O-N 3.48Å; T798-G802 PolarHBondContact O-N 3.28Å; T798-I803 PolarHBondContact O-N 3.38Å; T798-M805 HydrophobicContact CG2-CE 4.29Å; T798-M805 HydrophobicContact CG2-CG 4.18Å; T798-M805 HydrophobicContact CG2-SD 3.81Å; T798-I813 HydrophobicContact CG2-CD1 4.44Å
799K85.1Confident83.6Confident177 Ų17776.1 Ų76.177%0.7740%0.401SS*.Hα-helixtrans-74.3-44.2176.9-171.3-179.2-179.8-1780112A795 Q796 L797A795-K799 PolarHBondContact O-N 3.25Å; Q796-K799 WeakPolarHBondContact O-CB 3.46Å; Q796-K799 PolarHBondContact O-N 3.24Å; Q796-K799 VanDerWaalsContact O-N 3.15Å; L797-K799 PolarHBondContact O-N 2.93Å
800D84.6Confident83.6Confident106 Ų10678.8 Ų78.857%0.56740%0.403SS*.Hα-helixtrans-72.9-34.7-175.7-69.2-11000112.1Q796 L797Q796-D800 WeakPolarHBondContact CG-OD2 3.49Å; Q796-D800 WeakPolarHBondContact O-CB 3.33Å; Q796-D800 VanDerWaalsContact O-CG 3.3Å; Q796-D800 PolarHBondContact O-N 2.9Å; L797-D800 PolarHBondContact O-N 3.18Å
801T78.9Confident83.6Confident51 Ų5177.7 Ų77.731%0.31340%0.4SS..THydrogen-bonded Turntrans-91.3-7.6-178.164.40000113.8L797 I803L797-T801 WeakPolarHBondContact O-CB 3.44Å; L797-T801 WeakPolarHBondContact O-CG2 3.45Å; L797-T801 PolarHBondContact O-N 2.91Å; L797-T801 PolarHBondContact O-OG1 3.1Å; T801-I803 PolarHBondContact O-N 3.07Å; T801-I803 VanDerWaalsContact OG1-CD1 3.25Å; T801-I803 WeakPolarHBondContact OG1-CD1 3.38Å; T801-I803 WeakPolarHBondContact OG1-CG1 3.39Å
802G76.4Confident83.7Confident60 Ų6079.2 Ų79.262%0.61941%0.41SS*.THydrogen-bonded Turntrans67.328.9178.200000115.1T798 L804T798-G802 PolarHBondContact O-N 3.28Å; G802-L804 PolarHBondContact O-N 3.15Å
803I73.9Confident83.6Confident65 Ų6576.3 Ų76.333%0.33340%0.397SS..  trans-74.2121178.9-66.1166.2000109V782 T798 T801 M805V782-I803 HydrophobicContact CG2-CD1 4Å; T798-I803 PolarHBondContact O-N 3.38Å; T801-I803 PolarHBondContact O-N 3.07Å; T801-I803 VanDerWaalsContact OG1-CD1 3.25Å; T801-I803 WeakPolarHBondContact OG1-CD1 3.38Å; T801-I803 WeakPolarHBondContact OG1-CG1 3.39Å; I803-M805 PolarHBondContact O-N 3.26Å
804L71.7Confident83.9Confident172 Ų17276.8 Ų76.890%0.90140%0.399SS*.  trans-68.1114.3174.9-83.5150.1000110.2G802G802-L804 PolarHBondContact O-N 3.15Å
805M72.4Confident84Confident56 Ų5677.9 Ų77.928%0.27641%0.405SS..  trans-102.6148.4179.6-68.1-111.6-62.600111.5T798 I803 E809 I813T798-M805 HydrophobicContact CG2-CE 4.29Å; T798-M805 HydrophobicContact CG2-CG 4.18Å; T798-M805 HydrophobicContact CG2-SD 3.81Å; I803-M805 PolarHBondContact O-N 3.26Å; M805-E809 HydrophobicContact CB-CB 4.49Å; M805-E809 HydrophobicContact CE-CB 3.76Å; M805-E809 WeakPolarHBondContact CE-O 3.47Å; M805-E809 HydrophobicContact SD-CB 3.97Å; M805-I813 HydrophobicContact CE-CD1 3.16Å; M805-I813 HydrophobicContact CE-CG1 3.91Å
806K81.4Confident84.1Confident152 Ų15276.8 Ų76.866%0.66140%0.396SS*.  trans-78.7153.5171.4-64.6174.6-176.8170.40110.4L808 E809 Q810K806-L808 PolarHBondContact O-N 3.43Å; K806-L808 VanDerWaalsContact O-N 3.08Å; K806-E809 HydrophobicContact CB-CG 4.43Å; K806-E809 PolarHBondContact N-OE2 2.91Å; K806-E809 VanDerWaalsContact N-OE2 3.13Å; K806-E809 WeakPolarHBondContact O-CA 3.32Å; K806-E809 WeakPolarHBondContact O-CB 3.34Å; K806-E809 PolarHBondContact O-N 3.15Å; K806-Q810 PolarHBondContact O-N 2.87Å
807D81.6Confident84.3Confident135 Ų13572.6 Ų72.672%0.72238%0.377SS*.Hα-helixtrans-52.3-37178.8-62.4-14.3000113Q810 A811D807-Q810 PolarHBondContact O-N 3.04Å; D807-A811 WeakPolarHBondContact O-CB 3.45Å; D807-A811 PolarHBondContact O-N 2.82Å
808L84.4Confident84.5Confident144 Ų14472.4 Ų72.475%0.75438%0.376SS*.Hα-helixtrans-65-40.3176.7-170.970.4000112.6K806 Q810 A811 E812K806-L808 PolarHBondContact O-N 3.43Å; K806-L808 VanDerWaalsContact O-N 3.08Å; L808-Q810 VanDerWaalsContact C-N 3.34Å; L808-A811 PolarHBondContact O-N 2.86Å; L808-E812 PolarHBondContact O-N 3.06Å
809E82.7Confident84.8Confident74 Ų7474.6 Ų74.635%0.34639%0.387SS..Hα-helixtrans-72-33.2178.1-65.3169.7166.400110.7M805 K806 E812 I813M805-E809 HydrophobicContact CB-CB 4.49Å; M805-E809 HydrophobicContact CE-CB 3.76Å; M805-E809 WeakPolarHBondContact CE-O 3.47Å; M805-E809 HydrophobicContact SD-CB 3.97Å; K806-E809 HydrophobicContact CB-CG 4.43Å; K806-E809 PolarHBondContact N-OE2 2.91Å; K806-E809 VanDerWaalsContact N-OE2 3.13Å; K806-E809 WeakPolarHBondContact O-CA 3.32Å; K806-E809 WeakPolarHBondContact O-CB 3.34Å; K806-E809 PolarHBondContact O-N 3.15Å; E809-E812 WeakPolarHBondContact O-CB 3.37Å; E809-E812 PolarHBondContact O-N 2.78Å; E809-I813 PolarHBondContact O-N 2.87Å
810Q85.9Confident85Confident93 Ų9371 Ų7144%0.43537%0.369SS..Hα-helixtrans-68.9-42.3173.9-171.5174.43.300111.8K806 D807 L808 E812 I813 W814K806-Q810 PolarHBondContact O-N 2.87Å; D807-Q810 PolarHBondContact O-N 3.04Å; L808-Q810 VanDerWaalsContact C-N 3.34Å; Q810-E812 VanDerWaalsContact C-N 3.27Å; Q810-E812 PolarHBondContact O-N 3.35Å; Q810-I813 PolarHBondContact O-N 2.74Å; Q810-W814 PolarHBondContact O-N 2.8Å; Q810-W814 VanDerWaalsContact O-N 3.17Å
811A89.2Confident85.3Confident24 Ų2467.7 Ų67.720%0.19835%0.349CS..Hα-helixtrans-60.9-37.9173.100000111.6D807 L808 I813 W814 N815D807-A811 WeakPolarHBondContact O-CB 3.45Å; D807-A811 PolarHBondContact O-N 2.82Å; L808-A811 PolarHBondContact O-N 2.86Å; A811-I813 PolarHBondContact O-N 2.89Å; A811-W814 PolarHBondContact O-N 2.98Å; A811-N815 WeakPolarHBondContact O-CB 3.36Å; A811-N815 VanDerWaalsContact O-CG 3.31Å; A811-N815 PolarHBondContact O-N 3.41Å; A811-N815 PolarHBondContact O-ND2 3.23Å
812E90.3Very high85.9Confident80 Ų8069.7 Ų69.737%0.37435%0.351SS..Hα-helixtrans-60.8-42.9175.1-165.8-174.2173.300112.2K786 W791 L808 E809 Q810 G816K786-E812 WeakPolarHBondContact CE-OE1 3.45Å; K786-E812 IonicContact NZ-OE1 2.71Å; K786-E812 PolarHBondContact NZ-OE1 2.74Å; K786-E812 IonicContact NZ-OE2 2.72Å; K786-E812 PolarHBondContact NZ-OE2 2.98Å; W791-E812 HydrophobicContact CH2-CG 4.02Å; W791-E812 HydrophobicContact CZ3-CG 4.27Å; L808-E812 PolarHBondContact O-N 3.06Å; E809-E812 WeakPolarHBondContact O-CB 3.37Å; E809-E812 PolarHBondContact O-N 2.78Å; Q810-E812 VanDerWaalsContact C-N 3.27Å; Q810-E812 PolarHBondContact O-N 3.35Å; E812-G816 PolarHBondContact O-N 3.19Å
813I90.7Very high86.3Confident11 Ų1171.2 Ų71.26%0.05635%0.352CS..Hα-helixtrans-61-49.1175.2-67.6-179000111W791 V794 A795 T798 M805 E809 Q810 A811 G816 I817W791-I813 HydrophobicContact CE3-CG1 4.34Å; V794-I813 HydrophobicContact CG1-CD1 3.73Å; V794-I813 HydrophobicContact CG1-CG1 4Å; A795-I813 HydrophobicContact CB-CG2 3.8Å; T798-I813 HydrophobicContact CG2-CD1 4.44Å; M805-I813 HydrophobicContact CE-CD1 3.16Å; M805-I813 HydrophobicContact CE-CG1 3.91Å; E809-I813 PolarHBondContact O-N 2.87Å; Q810-I813 PolarHBondContact O-N 2.74Å; A811-I813 PolarHBondContact O-N 2.89Å; I813-G816 PolarHBondContact O-N 3.45Å; I813-I817 HydrophobicContact CG2-CD1 4.02Å; I813-I817 WeakPolarHBondContact O-CG1 3.36Å; I813-I817 PolarHBondContact O-N 3.46Å
814W92.9Very high86.9Confident69 Ų6971.9 Ų71.926%0.26135%0.354SS..Hα-helixtrans-64-43.5-178.3-65.3130.8000112.1Q810 A811 G816 I817 G818 Y833 Q836Q810-W814 PolarHBondContact O-N 2.8Å; Q810-W814 VanDerWaalsContact O-N 3.17Å; A811-W814 PolarHBondContact O-N 2.98Å; W814-G816 VanDerWaalsContact C-N 3.3Å; W814-G816 PolarHBondContact O-N 3.41Å; W814-I817 HydrophobicContact CE3-CD1 4.05Å; W814-I817 HydrophobicContact CZ3-CD1 4.15Å; W814-I817 PolarHBondContact O-N 2.89Å; W814-G818 PolarHBondContact O-N 3.42Å; W814-Y833 AromaticContact CE3-CD1 3.58Å; W814-Y833 HydrophobicContact CE3-CD1 3.58Å; W814-Y833 AromaticContact CE3-CE1 3.82Å; W814-Y833 HydrophobicContact CE3-CE1 3.82Å; W814-Y833 AromaticContact CZ3-CD1 3.99Å; W814-Y833 HydrophobicContact CZ3-CD1 3.99Å; W814-Y833 AromaticContact CZ3-CE1 3.72Å; W814-Y833 HydrophobicContact CZ3-CE1 3.72Å; W814-Q836 HydrophobicContact CB-CB 4.33Å; W814-Q836 HydrophobicContact CD2-CB 4.37Å; W814-Q836 HydrophobicContact CG-CB 4.04Å
815N92.2Very high87.5Confident27 Ų2770.5 Ų70.514%0.14434%0.344CS..Hα-helixtrans-64-36.1175.5-71.7-30.7000111.8A811 G818 D819 G837A811-N815 WeakPolarHBondContact O-CB 3.36Å; A811-N815 VanDerWaalsContact O-CG 3.31Å; A811-N815 PolarHBondContact O-N 3.41Å; A811-N815 PolarHBondContact O-ND2 3.23Å; N815-G818 PolarHBondContact O-N 3.44Å; N815-D819 WeakPolarHBondContact O-CB 3.43Å; N815-D819 PolarHBondContact O-N 3.49Å; N815-G837 PolarHBondContact ND2-O 3.49Å; N815-G837 WeakPolarHBondContact OD1-CA 3.38Å
816G90.9Very high88.2Confident4 Ų470.8 Ų70.84%0.04135%0.346CS..Hα-helixtrans-64.8-39.2173.700000113.7W791 E812 I813 W814 D819 Y820W791-G816 VanDerWaalsContact CD1-CA 3.49Å; W791-G816 VanDerWaalsContact CD1-O 3.3Å; E812-G816 PolarHBondContact O-N 3.19Å; I813-G816 PolarHBondContact O-N 3.45Å; W814-G816 VanDerWaalsContact C-N 3.3Å; W814-G816 PolarHBondContact O-N 3.41Å; G816-D819 PolarHBondContact O-N 2.81Å; G816-Y820 PolarHBondContact O-N 2.9Å; G816-Y820 VanDerWaalsContact O-N 3.13Å
817I92.4Very high88.7Confident4 Ų465.9 Ų65.92%0.02132%0.324CS..Hα-helixtrans-68.5-39.7172.3-64.6172000110.6W791 F792 A795 I813 W814 Y820 Y821 Y833W791-I817 HydrophobicContact CB-CG1 3.65Å; F792-I817 HydrophobicContact CD1-CD1 4.44Å; F792-I817 HydrophobicContact CD1-CG2 4.43Å; F792-I817 HydrophobicContact CE1-CG2 3.67Å; F792-I817 HydrophobicContact CE2-CG2 4.48Å; F792-I817 HydrophobicContact CZ-CG2 3.71Å; A795-I817 HydrophobicContact CB-CD1 4.4Å; I813-I817 HydrophobicContact CG2-CD1 4.02Å; I813-I817 WeakPolarHBondContact O-CG1 3.36Å; I813-I817 PolarHBondContact O-N 3.46Å; W814-I817 HydrophobicContact CE3-CD1 4.05Å; W814-I817 HydrophobicContact CZ3-CD1 4.15Å; W814-I817 PolarHBondContact O-N 2.89Å; I817-Y820 WeakPolarHBondContact O-CB 3.41Å; I817-Y820 PolarHBondContact O-N 3.15Å; I817-Y821 HydrophobicContact CG2-CD2 3.93Å; I817-Y821 HydrophobicContact CG2-CE2 3.67Å; I817-Y821 VanDerWaalsContact O-CD2 3.31Å; I817-Y821 WeakPolarHBondContact O-CD2 3.35Å; I817-Y821 PolarHBondContact O-N 3.4Å; I817-Y821 VanDerWaalsContact O-N 3.15Å; I817-Y833 HydrophobicContact CB-CD1 4.27Å; I817-Y833 HydrophobicContact CB-CG 4.32Å; I817-Y833 HydrophobicContact CG2-CD1 3.81Å; I817-Y833 HydrophobicContact CG2-CD2 3.71Å; I817-Y833 HydrophobicContact CG2-CE1 3.77Å; I817-Y833 HydrophobicContact CG2-CE2 3.71Å; I817-Y833 HydrophobicContact CG2-CG 3.77Å
818G92.1Very high89Confident0 Ų063.3 Ų63.30%031%0.31CS..Hα-helixtrans-58.3-46.1172.700000112.1W814 N815 Y820 Y821 R822 Y834W814-G818 PolarHBondContact O-N 3.42Å; N815-G818 PolarHBondContact O-N 3.44Å; G818-Y820 VanDerWaalsContact C-N 3.28Å; G818-Y820 PolarHBondContact O-N 3.39Å; G818-Y821 PolarHBondContact O-N 2.8Å; G818-Y821 VanDerWaalsContact O-N 3.16Å; G818-R822 WeakPolarHBondContact O-CB 3.48Å; G818-R822 PolarHBondContact O-N 2.95Å; G818-Y834 VanDerWaalsContact C-CZ 3.43Å; G818-Y834 VanDerWaalsContact C-OH 3.31Å; G818-Y834 PolarHBondContact O-OH 2.78Å
819D91.9Very high89.3Confident62 Ų6260.9 Ų60.933%0.33229%0.293SS..Hα-helixtrans-61.1-36176.9-71.7-18.6000112N815 G816 R822 S823 Y834 K842N815-D819 WeakPolarHBondContact O-CB 3.43Å; N815-D819 PolarHBondContact O-N 3.49Å; G816-D819 PolarHBondContact O-N 2.81Å; D819-R822 PolarHBondContact O-N 2.96Å; D819-S823 WeakPolarHBondContact O-CB 3.21Å; D819-S823 PolarHBondContact O-N 2.95Å; D819-Y834 VanDerWaalsContact CA-OH 3.25Å; D819-Y834 WeakPolarHBondContact CA-OH 3.46Å; D819-Y834 PolarHBondContact N-OH 2.79Å; D819-Y834 WeakPolarHBondContact OD1-CE1 3.34Å; D819-Y834 PolarHBondContact OD1-OH 2.97Å; D819-K842 VanDerWaalsContact CG-NZ 3.34Å; D819-K842 IonicContact OD1-NZ 2.8Å; D819-K842 PolarHBondContact OD1-NZ 3.47Å; D819-K842 IonicContact OD2-NZ 3.56Å; D819-K842 PolarHBondContact OD2-NZ 3.36Å
820Y89.8Confident89.7Confident103 Ų10357.3 Ų57.340%0.40428%0.277SS..Hα-helixtrans-61.7-49.8172.5175.1-91000111.9F792 G816 I817 G818 S823 Q824F792-Y820 AromaticContact CE2-CD1 3.4Å; F792-Y820 HydrophobicContact CE2-CD1 3.4Å; F792-Y820 VanDerWaalsContact CE2-CD1 3.4Å; F792-Y820 HydrophobicContact CE2-CD2 4.16Å; F792-Y820 AromaticContact CE2-CE1 3.62Å; F792-Y820 HydrophobicContact CE2-CE1 3.62Å; F792-Y820 HydrophobicContact CE2-CE2 4.33Å; F792-Y820 AromaticContact CE2-CG 3.68Å; F792-Y820 HydrophobicContact CE2-CG 3.68Å; F792-Y820 AromaticContact CZ-CD1 3.63Å; F792-Y820 HydrophobicContact CZ-CD1 3.63Å; F792-Y820 AromaticContact CZ-CE1 3.87Å; F792-Y820 HydrophobicContact CZ-CE1 3.87Å; F792-Y820 HydrophobicContact CZ-CG 4.29Å; G816-Y820 PolarHBondContact O-N 2.9Å; G816-Y820 VanDerWaalsContact O-N 3.13Å; I817-Y820 WeakPolarHBondContact O-CB 3.41Å; I817-Y820 PolarHBondContact O-N 3.15Å; G818-Y820 VanDerWaalsContact C-N 3.28Å; G818-Y820 PolarHBondContact O-N 3.39Å; Y820-S823 PolarHBondContact O-N 2.77Å; Y820-S823 PolarHBondContact O-OG 3.07Å; Y820-Q824 VanDerWaalsContact CE1-NE2 3.26Å; Y820-Q824 PolarHBondContact O-N 3.24Å; Y820-Q824 PolarHBondContact OH-NE2 3.36Å
821Y90.7Very high90Very high35 Ų3553.5 Ų53.514%0.13726%0.261CS..Hα-helixtrans-67.7-36.3178.4-74.2-64.3000112.6F792 I817 G818 S823 Q824 M825 L826 K829 Y833F792-Y821 AromaticContact CE1-CE2 3.98Å; F792-Y821 HydrophobicContact CE1-CE2 3.98Å; F792-Y821 HydrophobicContact CZ-CD2 4.47Å; F792-Y821 AromaticContact CZ-CE2 3.64Å; F792-Y821 HydrophobicContact CZ-CE2 3.64Å; F792-Y821 AromaticContact CZ-CZ 3.75Å; I817-Y821 HydrophobicContact CG2-CD2 3.93Å; I817-Y821 HydrophobicContact CG2-CE2 3.67Å; I817-Y821 VanDerWaalsContact O-CD2 3.31Å; I817-Y821 WeakPolarHBondContact O-CD2 3.35Å; I817-Y821 PolarHBondContact O-N 3.4Å; I817-Y821 VanDerWaalsContact O-N 3.15Å; G818-Y821 PolarHBondContact O-N 2.8Å; G818-Y821 VanDerWaalsContact O-N 3.16Å; Y821-S823 VanDerWaalsContact C-N 3.32Å; Y821-S823 PolarHBondContact O-N 2.75Å; Y821-Q824 CarbonylContact O-C 3.5Å; Y821-Q824 PolarHBondContact O-N 3.35Å; Y821-Q824 VanDerWaalsContact O-N 3.1Å; Y821-M825 PolarHBondContact O-N 3.2Å; Y821-L826 HydrophobicContact CD1-CB 4.17Å; Y821-L826 HydrophobicContact CD1-CD1 3.93Å; Y821-L826 HydrophobicContact CE1-CD1 4.35Å; Y821-L826 PolarHBondContact O-N 3.12Å; Y821-K829 HydrophobicContact CD1-CB 3.87Å; Y821-K829 HydrophobicContact CD1-CD 3.92Å; Y821-K829 HydrophobicContact CD2-CB 4.08Å; Y821-K829 HydrophobicContact CE1-CB 4.25Å; Y821-K829 HydrophobicContact CE1-CD 3.65Å; Y821-K829 HydrophobicContact CE2-CB 4.43Å; Y821-K829 HydrophobicContact CG-CB 3.78Å; Y821-Y833 AromaticContact CD2-CD2 3.59Å; Y821-Y833 HydrophobicContact CD2-CD2 3.59Å; Y821-Y833 AromaticContact CD2-CE2 3.58Å; Y821-Y833 HydrophobicContact CD2-CE2 3.58Å; Y821-Y833 AromaticContact CE2-CD2 3.75Å; Y821-Y833 HydrophobicContact CE2-CD2 3.75Å; Y821-Y833 AromaticContact CE2-CE2 3.21Å; Y821-Y833 HydrophobicContact CE2-CE2 3.21Å
822R90.1Very high90.2Very high94 Ų9457 Ų5736%0.35528%0.276SS..Hα-helixtrans-58.2-42.9171.9-178.9173.5179-85-2.5111.4G818 D819 Q824 M825 W827 A830 Y834 E845G818-R822 WeakPolarHBondContact O-CB 3.48Å; G818-R822 PolarHBondContact O-N 2.95Å; D819-R822 PolarHBondContact O-N 2.96Å; R822-Q824 PolarHBondContact O-N 3.19Å; R822-M825 PolarHBondContact O-N 3.21Å; R822-W827 HydrophobicContact CG-CH2 4.41Å; R822-W827 HydrophobicContact CG-CZ3 3.83Å; R822-A830 HydrophobicContact CB-CB 4.32Å; R822-Y834 HydrophobicContact CB-CE2 4.32Å; R822-Y834 WeakPolarHBondContact CB-OH 3.34Å; R822-Y834 WeakPolarHBondContact CD-OH 3.3Å; R822-E845 IonicContact CZ-OE1 3.8Å; R822-E845 IonicContact CZ-OE2 2.9Å; R822-E845 IonicContact NE-OE1 2.67Å; R822-E845 IonicContact NE-OE2 3.89Å; R822-E845 PolarHBondContact NE-OE2 3.08Å; R822-E845 VanDerWaalsContact NH2-CD 3.32Å; R822-E845 IonicContact NH2-OE1 3.29Å; R822-E845 PolarHBondContact NH2-OE1 3.19Å; R822-E845 IonicContact NH2-OE2 3.06Å; R822-E845 PolarHBondContact NH2-OE2 3.35Å
823S86.1Confident90.3Very high91 Ų9155.8 Ų55.864%0.63627%0.268SS*.Hα-helixtrans-64.3-22177.578.60000114D819 Y820 Y821D819-S823 WeakPolarHBondContact O-CB 3.21Å; D819-S823 PolarHBondContact O-N 2.95Å; Y820-S823 PolarHBondContact O-N 2.77Å; Y820-S823 PolarHBondContact O-OG 3.07Å; Y821-S823 VanDerWaalsContact C-N 3.32Å; Y821-S823 PolarHBondContact O-N 2.75Å
824Q85.6Confident90.5Very high80 Ų8055.3 Ų55.337%0.37427%0.266SS..THydrogen-bonded Turntrans-96.43.8176.2-62.1-170.514.400113.5Y820 Y821 R822 L826Y820-Q824 VanDerWaalsContact CE1-NE2 3.26Å; Y820-Q824 PolarHBondContact O-N 3.24Å; Y820-Q824 PolarHBondContact OH-NE2 3.36Å; Y821-Q824 CarbonylContact O-C 3.5Å; Y821-Q824 PolarHBondContact O-N 3.35Å; Y821-Q824 VanDerWaalsContact O-N 3.1Å; R822-Q824 PolarHBondContact O-N 3.19Å; Q824-L826 HydrophobicContact CB-CD1 4.28Å; Q824-L826 HydrophobicContact CB-CG 4.28Å; Q824-L826 PolarHBondContact O-N 3.49Å
825M85.2Confident90.4Very high143 Ų14358.9 Ų58.970%0.70428%0.283SS*.THydrogen-bonded Turntrans59.725.9-174.1-54.5-178.7173.900113.8Y821 R822 W827Y821-M825 PolarHBondContact O-N 3.2Å; R822-M825 PolarHBondContact O-N 3.21Å; M825-W827 HydrophobicContact CB-CZ2 4.31Å; M825-W827 HydrophobicContact CG-CZ2 4.26Å; M825-W827 VanDerWaalsContact O-CD1 3.25Å; M825-W827 PolarHBondContact O-N 3Å; M825-W827 PolarHBondContact O-NE1 3.13Å
826L87.1Confident90.3Very high61 Ų6162.7 Ų62.732%0.31930%0.3SS..  trans-91.674.5173-68.3173.6000109.3Y821 Q824 D828 K829 A830Y821-L826 HydrophobicContact CD1-CB 4.17Å; Y821-L826 HydrophobicContact CD1-CD1 3.93Å; Y821-L826 HydrophobicContact CE1-CD1 4.35Å; Y821-L826 PolarHBondContact O-N 3.12Å; Q824-L826 HydrophobicContact CB-CD1 4.28Å; Q824-L826 HydrophobicContact CB-CG 4.28Å; Q824-L826 PolarHBondContact O-N 3.49Å; L826-D828 VanDerWaalsContact C-N 3.33Å; L826-D828 PolarHBondContact O-N 3.18Å; L826-K829 PolarHBondContact O-N 3.42Å; L826-A830 WeakPolarHBondContact O-CB 3.36Å; L826-A830 PolarHBondContact O-N 2.96Å
827W90Very high90.1Very high49 Ų4962.7 Ų62.719%0.18630%0.3CS..Hα-helixtrans-65.8-32.5-170.4-53.4109.4000113.7R822 M825 S831 Q849 L850R822-W827 HydrophobicContact CG-CH2 4.41Å; R822-W827 HydrophobicContact CG-CZ3 3.83Å; M825-W827 HydrophobicContact CB-CZ2 4.31Å; M825-W827 HydrophobicContact CG-CZ2 4.26Å; M825-W827 VanDerWaalsContact O-CD1 3.25Å; M825-W827 PolarHBondContact O-N 3Å; M825-W827 PolarHBondContact O-NE1 3.13Å; W827-S831 WeakPolarHBondContact O-CB 3.5Å; W827-S831 PolarHBondContact O-N 3.33Å; W827-Q849 HydrophobicContact CD2-CB 3.57Å; W827-Q849 HydrophobicContact CD2-CG 3.99Å; W827-Q849 HydrophobicContact CE3-CB 3.92Å; W827-Q849 HydrophobicContact CE3-CG 3.94Å; W827-Q849 HydrophobicContact CG-CB 3.86Å; W827-Q849 HydrophobicContact CH2-CB 4.47Å; W827-Q849 HydrophobicContact CH2-CG 3.81Å; W827-Q849 HydrophobicContact CZ2-CB 4.17Å; W827-Q849 HydrophobicContact CZ2-CG 3.85Å; W827-Q849 HydrophobicContact CZ3-CB 4.34Å; W827-Q849 HydrophobicContact CZ3-CG 3.84Å; W827-L850 HydrophobicContact CB-CD1 4.12Å; W827-L850 HydrophobicContact CB-CD2 3.69Å; W827-L850 HydrophobicContact CB-CG 3.6Å
828D88.9Confident89.9Confident81 Ų8168.8 Ų68.843%0.43333%0.333SS..Hα-helixtrans-58.4-54.3176.262.1-34.2000110.8L826 S831 D832L826-D828 VanDerWaalsContact C-N 3.33Å; L826-D828 PolarHBondContact O-N 3.18Å; D828-S831 WeakPolarHBondContact O-CB 3.46Å; D828-S831 PolarHBondContact O-N 3.24Å; D828-S831 PolarHBondContact O-OG 3.09Å; D828-D832 PolarHBondContact O-N 3.4Å
829K89.9Confident89.7Confident93 Ų9370.8 Ų70.840%0.40434%0.344SS..Hα-helixtrans-68.2-42.1179.6-65.1-179.7-175.6176.50111.5Y821 L826 S831 D832 Y833Y821-K829 HydrophobicContact CD1-CB 3.87Å; Y821-K829 HydrophobicContact CD1-CD 3.92Å; Y821-K829 HydrophobicContact CD2-CB 4.08Å; Y821-K829 HydrophobicContact CE1-CB 4.25Å; Y821-K829 HydrophobicContact CE1-CD 3.65Å; Y821-K829 HydrophobicContact CE2-CB 4.43Å; Y821-K829 HydrophobicContact CG-CB 3.78Å; L826-K829 PolarHBondContact O-N 3.42Å; K829-S831 PolarHBondContact O-N 3.16Å; K829-D832 PolarHBondContact O-N 3.44Å; K829-Y833 WeakPolarHBondContact O-CD2 3.48Å; K829-Y833 PolarHBondContact O-N 2.6Å
830A92.5Very high89.5Confident0 Ų071 Ų710%035%0.345CS..Hα-helixtrans-57.4-39.7177.200000111.3R822 L826 D832 Y833 Y834R822-A830 HydrophobicContact CB-CB 4.32Å; L826-A830 WeakPolarHBondContact O-CB 3.36Å; L826-A830 PolarHBondContact O-N 2.96Å; A830-D832 PolarHBondContact O-N 3.21Å; A830-Y833 PolarHBondContact O-N 2.97Å; A830-Y834 HydrophobicContact CB-CD2 4.31Å; A830-Y834 HydrophobicContact CB-CE2 3.96Å; A830-Y834 WeakPolarHBondContact O-CD2 3.5Å; A830-Y834 PolarHBondContact O-N 3.45Å
831S92Very high89.4Confident13 Ų1370.5 Ų70.59%0.09135%0.348CS..Hα-helixtrans-61.2-42.6-179.882.60000113W827 D828 K829 Y833 Y834 K835 F843W827-S831 WeakPolarHBondContact O-CB 3.5Å; W827-S831 PolarHBondContact O-N 3.33Å; D828-S831 WeakPolarHBondContact O-CB 3.46Å; D828-S831 PolarHBondContact O-N 3.24Å; D828-S831 PolarHBondContact O-OG 3.09Å; K829-S831 PolarHBondContact O-N 3.16Å; S831-Y833 VanDerWaalsContact C-N 3.33Å; S831-Y833 PolarHBondContact O-N 3.47Å; S831-Y834 PolarHBondContact O-N 2.99Å; S831-K835 WeakPolarHBondContact O-CB 3.42Å; S831-K835 PolarHBondContact O-N 3.47Å; S831-F843 WeakPolarHBondContact O-CD2 3.37Å
832D92.1Very high89.4Confident96 Ų9671.5 Ų71.551%0.51335%0.353SS..Hα-helixtrans-63.1-39.9178.9-75.6-28.3000111.9D828 K829 A830 Q836D828-D832 PolarHBondContact O-N 3.4Å; K829-D832 PolarHBondContact O-N 3.44Å; A830-D832 PolarHBondContact O-N 3.21Å; D832-Q836 WeakPolarHBondContact O-CG 3.31Å; D832-Q836 PolarHBondContact O-N 2.98Å
833Y93.4Very high89.4Confident56 Ų5668.5 Ų68.522%0.2234%0.343CS..Hα-helixtrans-75.2-39.5179.8-70.8-66.7000112.8W814 I817 Y821 K829 A830 S831 K835 Q836 G837W814-Y833 AromaticContact CE3-CD1 3.58Å; W814-Y833 HydrophobicContact CE3-CD1 3.58Å; W814-Y833 AromaticContact CE3-CE1 3.82Å; W814-Y833 HydrophobicContact CE3-CE1 3.82Å; W814-Y833 AromaticContact CZ3-CD1 3.99Å; W814-Y833 HydrophobicContact CZ3-CD1 3.99Å; W814-Y833 AromaticContact CZ3-CE1 3.72Å; W814-Y833 HydrophobicContact CZ3-CE1 3.72Å; I817-Y833 HydrophobicContact CB-CD1 4.27Å; I817-Y833 HydrophobicContact CB-CG 4.32Å; I817-Y833 HydrophobicContact CG2-CD1 3.81Å; I817-Y833 HydrophobicContact CG2-CD2 3.71Å; I817-Y833 HydrophobicContact CG2-CE1 3.77Å; I817-Y833 HydrophobicContact CG2-CE2 3.71Å; I817-Y833 HydrophobicContact CG2-CG 3.77Å; Y821-Y833 AromaticContact CD2-CD2 3.59Å; Y821-Y833 HydrophobicContact CD2-CD2 3.59Å; Y821-Y833 AromaticContact CD2-CE2 3.58Å; Y821-Y833 HydrophobicContact CD2-CE2 3.58Å; Y821-Y833 AromaticContact CE2-CD2 3.75Å; Y821-Y833 HydrophobicContact CE2-CD2 3.75Å; Y821-Y833 AromaticContact CE2-CE2 3.21Å; Y821-Y833 HydrophobicContact CE2-CE2 3.21Å; K829-Y833 WeakPolarHBondContact O-CD2 3.48Å; K829-Y833 PolarHBondContact O-N 2.6Å; A830-Y833 PolarHBondContact O-N 2.97Å; S831-Y833 VanDerWaalsContact C-N 3.33Å; S831-Y833 PolarHBondContact O-N 3.47Å; Y833-K835 VanDerWaalsContact C-N 3.28Å; Y833-K835 PolarHBondContact O-N 3.49Å; Y833-Q836 PolarHBondContact O-N 3.19Å; Y833-G837 PolarHBondContact O-N 3Å
834Y94Very high89.5Confident0 Ų064.2 Ų64.20%031%0.313CS..Hα-helixtrans-65.9-33.1174.1-67.7-46.3000112.5G818 D819 R822 A830 S831 G837 N838 D839 K842 C846G818-Y834 VanDerWaalsContact C-CZ 3.43Å; G818-Y834 VanDerWaalsContact C-OH 3.31Å; G818-Y834 PolarHBondContact O-OH 2.78Å; D819-Y834 VanDerWaalsContact CA-OH 3.25Å; D819-Y834 WeakPolarHBondContact CA-OH 3.46Å; D819-Y834 PolarHBondContact N-OH 2.79Å; D819-Y834 WeakPolarHBondContact OD1-CE1 3.34Å; D819-Y834 PolarHBondContact OD1-OH 2.97Å; R822-Y834 HydrophobicContact CB-CE2 4.32Å; R822-Y834 WeakPolarHBondContact CB-OH 3.34Å; R822-Y834 WeakPolarHBondContact CD-OH 3.3Å; A830-Y834 HydrophobicContact CB-CD2 4.31Å; A830-Y834 HydrophobicContact CB-CE2 3.96Å; A830-Y834 WeakPolarHBondContact O-CD2 3.5Å; A830-Y834 PolarHBondContact O-N 3.45Å; S831-Y834 PolarHBondContact O-N 2.99Å; Y834-G837 CarbonylContact O-C 3.58Å; Y834-G837 PolarHBondContact O-N 3.4Å; Y834-N838 PolarHBondContact O-N 2.74Å; Y834-D839 PolarHBondContact O-N 3.43Å; Y834-D839 VanDerWaalsContact O-N 3.14Å; Y834-K842 HydrophobicContact CD1-CB 3.88Å; Y834-K842 HydrophobicContact CD1-CD 3.86Å; Y834-K842 HydrophobicContact CD2-CB 3.82Å; Y834-K842 HydrophobicContact CE1-CB 3.98Å; Y834-K842 HydrophobicContact CE1-CD 3.34Å; Y834-K842 HydrophobicContact CE1-CG 4.32Å; Y834-K842 HydrophobicContact CE2-CB 3.89Å; Y834-K842 HydrophobicContact CE2-CD 4.41Å; Y834-K842 HydrophobicContact CG-CB 3.81Å; Y834-C846 VanDerWaalsContact CD2-SG 3.56Å; Y834-C846 VanDerWaalsContact CE2-SG 3.56Å
835K91.2Very high89.6Confident145 Ų14562.5 Ų62.563%0.6331%0.305SS*.Hα-helixtrans-63.1-41.3171.6-173.7177.3-179.8178.40111.8S831 Y833 N838 F843S831-K835 WeakPolarHBondContact O-CB 3.42Å; S831-K835 PolarHBondContact O-N 3.47Å; Y833-K835 VanDerWaalsContact C-N 3.28Å; Y833-K835 PolarHBondContact O-N 3.49Å; K835-N838 PolarHBondContact O-N 3.16Å; K835-F843 HydrophobicContact CB-CD2 4.28Å; K835-F843 HydrophobicContact CB-CE2 4.21Å; K835-F843 HydrophobicContact CD-CZ 4.36Å
836Q89.9Confident89.9Confident106 Ų10655.7 Ų55.750%0.49527%0.271SS..Hα-helixtrans-70.2-33.5174.9-70.317637.600112.9W814 D832 Y833 N838W814-Q836 HydrophobicContact CB-CB 4.33Å; W814-Q836 HydrophobicContact CD2-CB 4.37Å; W814-Q836 HydrophobicContact CG-CB 4.04Å; D832-Q836 WeakPolarHBondContact O-CG 3.31Å; D832-Q836 PolarHBondContact O-N 2.98Å; Y833-Q836 PolarHBondContact O-N 3.19Å; Q836-N838 VanDerWaalsContact C-N 3.29Å
837G88.3Confident90.1Very high5 Ų553.3 Ų53.35%0.05226%0.259CS..THydrogen-bonded Turntrans-81.2-1.7175.900000115N815 Y833 Y834 D839N815-G837 PolarHBondContact ND2-O 3.49Å; N815-G837 WeakPolarHBondContact OD1-CA 3.38Å; Y833-G837 PolarHBondContact O-N 3Å; Y834-G837 CarbonylContact O-C 3.58Å; Y834-G837 PolarHBondContact O-N 3.4Å; G837-D839 VanDerWaalsContact C-N 3.29Å; G837-D839 PolarHBondContact O-N 3.24Å
838N87.6Confident90Very high131 Ų13153.6 Ų53.670%0.70126%0.26SS*.THydrogen-bonded Turntrans56.532.7-179.5-159.933.5000114.8Y834 K835 Q836Y834-N838 PolarHBondContact O-N 2.74Å; K835-N838 PolarHBondContact O-N 3.16Å; Q836-N838 VanDerWaalsContact C-N 3.29Å
839D88.4Confident90Very high43 Ų4354.1 Ų54.123%0.2326%0.26CS..  trans-96.789.8174.3-169.3-25.5000110.6Y834 G837 L841 K842 F843Y834-D839 PolarHBondContact O-N 3.43Å; Y834-D839 VanDerWaalsContact O-N 3.14Å; G837-D839 VanDerWaalsContact C-N 3.29Å; G837-D839 PolarHBondContact O-N 3.24Å; D839-L841 VanDerWaalsContact C-N 3.33Å; D839-L841 PolarHBondContact O-N 3.15Å; D839-L841 PolarHBondContact OD1-N 3.25Å; D839-K842 HydrophobicContact CB-CB 4.38Å; D839-K842 PolarHBondContact OD1-N 2.87Å; D839-K842 WeakPolarHBondContact OD2-CD 3.33Å; D839-K842 VanDerWaalsContact OD2-CE 3.23Å; D839-K842 WeakPolarHBondContact OD2-CE 3.43Å; D839-K842 WeakPolarHBondContact OD2-CG 3.03Å; D839-K842 IonicContact OD2-NZ 3.43Å; D839-F843 VanDerWaalsContact O-CB 3.3Å; D839-F843 WeakPolarHBondContact O-CB 3.37Å; D839-F843 PolarHBondContact O-N 3.13Å
840L86.3Confident90Very high67 Ų6753.1 Ų53.135%0.35126%0.259SS..Hα-helixtrans-64.1-32.4-173.8-64.7176.2000113.8A844 L863L840-A844 WeakPolarHBondContact O-CB 3.43Å; L840-A844 PolarHBondContact O-N 2.99Å; L840-L863 HydrophobicContact CD1-CD2 4.24Å
841L88.1Confident89.7Confident92 Ų9259.8 Ų59.848%0.48229%0.29SS..Hα-helixtrans-73.3-45.2-178.2-71.8174.6000111D839 F843 A844 E845 A869D839-L841 VanDerWaalsContact C-N 3.33Å; D839-L841 PolarHBondContact O-N 3.15Å; D839-L841 PolarHBondContact OD1-N 3.25Å; L841-F843 VanDerWaalsContact C-N 3.33Å; L841-A844 PolarHBondContact O-N 2.98Å; L841-E845 PolarHBondContact O-N 2.85Å; L841-A869 HydrophobicContact CD2-CB 4.08Å
842K90Very high89.6Confident56 Ų5662.4 Ų62.424%0.24330%0.303CS..Hα-helixtrans-66.2-37.5174.4-67-172.2-171.1-179.50111.5D819 Y834 D839 E845 C846D819-K842 VanDerWaalsContact CG-NZ 3.34Å; D819-K842 IonicContact OD1-NZ 2.8Å; D819-K842 PolarHBondContact OD1-NZ 3.47Å; D819-K842 IonicContact OD2-NZ 3.56Å; D819-K842 PolarHBondContact OD2-NZ 3.36Å; Y834-K842 HydrophobicContact CD1-CB 3.88Å; Y834-K842 HydrophobicContact CD1-CD 3.86Å; Y834-K842 HydrophobicContact CD2-CB 3.82Å; Y834-K842 HydrophobicContact CE1-CB 3.98Å; Y834-K842 HydrophobicContact CE1-CD 3.34Å; Y834-K842 HydrophobicContact CE1-CG 4.32Å; Y834-K842 HydrophobicContact CE2-CB 3.89Å; Y834-K842 HydrophobicContact CE2-CD 4.41Å; Y834-K842 HydrophobicContact CG-CB 3.81Å; D839-K842 HydrophobicContact CB-CB 4.38Å; D839-K842 PolarHBondContact OD1-N 2.87Å; D839-K842 WeakPolarHBondContact OD2-CD 3.33Å; D839-K842 VanDerWaalsContact OD2-CE 3.23Å; D839-K842 WeakPolarHBondContact OD2-CE 3.43Å; D839-K842 WeakPolarHBondContact OD2-CG 3.03Å; D839-K842 IonicContact OD2-NZ 3.43Å; K842-E845 WeakPolarHBondContact O-CB 3.46Å; K842-E845 PolarHBondContact O-N 3.36Å; K842-C846 PolarHBondContact O-N 2.97Å; K842-C846 PolarHBondContact O-SG 3Å; K842-C846 VanDerWaalsContact O-SG 3.38Å
843F91.9Very high89.4Confident31 Ų3160.6 Ų60.614%0.13629%0.289CS..Hα-helixtrans-61.2-47.1174.1-179-124.8000111.9S831 K835 D839 L841 E845 C846 L847 I859S831-F843 WeakPolarHBondContact O-CD2 3.37Å; K835-F843 HydrophobicContact CB-CD2 4.28Å; K835-F843 HydrophobicContact CB-CE2 4.21Å; K835-F843 HydrophobicContact CD-CZ 4.36Å; D839-F843 VanDerWaalsContact O-CB 3.3Å; D839-F843 WeakPolarHBondContact O-CB 3.37Å; D839-F843 PolarHBondContact O-N 3.13Å; L841-F843 VanDerWaalsContact C-N 3.33Å; F843-E845 VanDerWaalsContact C-N 3.32Å; F843-E845 PolarHBondContact O-N 3.17Å; F843-C846 WeakPolarHBondContact O-CB 3.46Å; F843-C846 PolarHBondContact O-N 2.93Å; F843-L847 HydrophobicContact CD1-CD1 4.21Å; F843-L847 HydrophobicContact CE1-CD1 3.77Å; F843-L847 HydrophobicContact CE2-CD1 4.36Å; F843-L847 HydrophobicContact CE2-CD2 4.32Å; F843-L847 HydrophobicContact CE2-CG 4.27Å; F843-L847 HydrophobicContact CZ-CD1 3.85Å; F843-L847 HydrophobicContact CZ-CD2 4.27Å; F843-L847 HydrophobicContact CZ-CG 4.22Å; F843-L847 WeakPolarHBondContact O-CG 3.42Å; F843-L847 PolarHBondContact O-N 3.44Å; F843-I859 HydrophobicContact CD1-CD1 3.66Å; F843-I859 HydrophobicContact CE1-CD1 3.71Å; F843-I859 HydrophobicContact CE1-CG1 4.36Å
844A87.2Confident89.2Confident0 Ų065 Ų650%031%0.309CS..Hα-helixtrans-64.8-33175.800000113L840 L841 L847 Y848 I859 F873L840-A844 WeakPolarHBondContact O-CB 3.43Å; L840-A844 PolarHBondContact O-N 2.99Å; L841-A844 PolarHBondContact O-N 2.98Å; A844-L847 PolarHBondContact O-N 3.26Å; A844-Y848 WeakPolarHBondContact O-CB 3.48Å; A844-Y848 PolarHBondContact O-N 2.86Å; A844-I859 HydrophobicContact CB-CD1 4.49Å; A844-F873 HydrophobicContact CB-CD1 4.25Å; A844-F873 HydrophobicContact CB-CE1 3.34Å; A844-F873 HydrophobicContact CB-CZ 3.74Å
845E88.4Confident88.9Confident44 Ų4465.3 Ų65.321%0.20631%0.313CS..Hα-helixtrans-62.1-45.1171.1-170.7-171.8-168.200111.2R822 L841 K842 F843 Y848 Q849R822-E845 IonicContact CZ-OE1 3.8Å; R822-E845 IonicContact CZ-OE2 2.9Å; R822-E845 IonicContact NE-OE1 2.67Å; R822-E845 IonicContact NE-OE2 3.89Å; R822-E845 PolarHBondContact NE-OE2 3.08Å; R822-E845 VanDerWaalsContact NH2-CD 3.32Å; R822-E845 IonicContact NH2-OE1 3.29Å; R822-E845 PolarHBondContact NH2-OE1 3.19Å; R822-E845 IonicContact NH2-OE2 3.06Å; R822-E845 PolarHBondContact NH2-OE2 3.35Å; L841-E845 PolarHBondContact O-N 2.85Å; K842-E845 WeakPolarHBondContact O-CB 3.46Å; K842-E845 PolarHBondContact O-N 3.36Å; F843-E845 VanDerWaalsContact C-N 3.32Å; F843-E845 PolarHBondContact O-N 3.17Å; E845-Y848 WeakPolarHBondContact O-CB 3.46Å; E845-Y848 PolarHBondContact O-N 3.4Å; E845-Q849 WeakPolarHBondContact O-CG 3.37Å; E845-Q849 PolarHBondContact O-N 2.9Å
846C91Very high88.8Confident0 Ų058.6 Ų58.60%028%0.284CS..Hα-helixtrans-61.2-44.4175.3-65.70000112.1Y834 K842 F843 Y848 Q849 L850Y834-C846 VanDerWaalsContact CD2-SG 3.56Å; Y834-C846 VanDerWaalsContact CE2-SG 3.56Å; K842-C846 PolarHBondContact O-N 2.97Å; K842-C846 PolarHBondContact O-SG 3Å; K842-C846 VanDerWaalsContact O-SG 3.38Å; F843-C846 WeakPolarHBondContact O-CB 3.46Å; F843-C846 PolarHBondContact O-N 2.93Å; C846-Y848 VanDerWaalsContact C-N 3.31Å; C846-Y848 PolarHBondContact O-N 3.44Å; C846-Q849 PolarHBondContact O-N 3.22Å; C846-L850 WeakPolarHBondContact O-CB 3.47Å; C846-L850 WeakPolarHBondContact O-CG 3.48Å; C846-L850 PolarHBondContact O-N 3.41Å
847L90.2Very high88.7Confident11 Ų1157 Ų576%0.05828%0.277CS..Hα-helixtrans-62.7-38176.4-66.1175.8000112.1F843 A844 L850 E851 D852 I856 I859F843-L847 HydrophobicContact CD1-CD1 4.21Å; F843-L847 HydrophobicContact CE1-CD1 3.77Å; F843-L847 HydrophobicContact CE2-CD1 4.36Å; F843-L847 HydrophobicContact CE2-CD2 4.32Å; F843-L847 HydrophobicContact CE2-CG 4.27Å; F843-L847 HydrophobicContact CZ-CD1 3.85Å; F843-L847 HydrophobicContact CZ-CD2 4.27Å; F843-L847 HydrophobicContact CZ-CG 4.22Å; F843-L847 WeakPolarHBondContact O-CG 3.42Å; F843-L847 PolarHBondContact O-N 3.44Å; A844-L847 PolarHBondContact O-N 3.26Å; L847-L850 CarbonylContact O-C 3.54Å; L847-L850 PolarHBondContact O-N 3.34Å; L847-E851 PolarHBondContact O-N 3.45Å; L847-E851 VanDerWaalsContact O-N 3.09Å; L847-D852 HydrophobicContact CD2-CB 4.12Å; L847-D852 PolarHBondContact O-N 3.32Å; L847-I856 HydrophobicContact CB-CD1 4.38Å; L847-I856 HydrophobicContact CB-CG1 3.88Å; L847-I856 HydrophobicContact CD1-CG1 4.31Å; L847-I859 HydrophobicContact CD1-CD1 3.65Å
848Y88.4Confident88.8Confident56 Ų5664.4 Ų64.422%0.2230%0.303CS..Hα-helixtrans-63.5-41.1175.5-175.5-88.5000111.9A844 E845 C846 E851 I856 R876 L880A844-Y848 WeakPolarHBondContact O-CB 3.48Å; A844-Y848 PolarHBondContact O-N 2.86Å; E845-Y848 WeakPolarHBondContact O-CB 3.46Å; E845-Y848 PolarHBondContact O-N 3.4Å; C846-Y848 VanDerWaalsContact C-N 3.31Å; C846-Y848 PolarHBondContact O-N 3.44Å; Y848-E851 PolarHBondContact O-N 2.87Å; Y848-I856 HydrophobicContact CD2-CD1 4.41Å; Y848-R876 HydrophobicContact CD2-CB 4.11Å; Y848-R876 HydrophobicContact CD2-CG 4.33Å; Y848-R876 HydrophobicContact CE2-CB 3.85Å; Y848-R876 HydrophobicContact CE2-CG 4.2Å; Y848-L880 HydrophobicContact CD2-CD1 4.2Å; Y848-L880 HydrophobicContact CE2-CD1 3.49Å; Y848-L880 VanDerWaalsContact CE2-CD1 3.49Å; Y848-L880 HydrophobicContact CE2-CD2 4.33Å; Y848-L880 HydrophobicContact CE2-CG 3.94Å
849Q88.7Confident88.8Confident91 Ų9158.8 Ų58.843%0.42527%0.273SS..Hα-helixtrans-72.7-27.9176.5-64.3-65.6-18.600113.2W827 E845 C846 E851W827-Q849 HydrophobicContact CD2-CB 3.57Å; W827-Q849 HydrophobicContact CD2-CG 3.99Å; W827-Q849 HydrophobicContact CE3-CB 3.92Å; W827-Q849 HydrophobicContact CE3-CG 3.94Å; W827-Q849 HydrophobicContact CG-CB 3.86Å; W827-Q849 HydrophobicContact CH2-CB 4.47Å; W827-Q849 HydrophobicContact CH2-CG 3.81Å; W827-Q849 HydrophobicContact CZ2-CB 4.17Å; W827-Q849 HydrophobicContact CZ2-CG 3.85Å; W827-Q849 HydrophobicContact CZ3-CB 4.34Å; W827-Q849 HydrophobicContact CZ3-CG 3.84Å; E845-Q849 WeakPolarHBondContact O-CG 3.37Å; E845-Q849 PolarHBondContact O-N 2.9Å; C846-Q849 PolarHBondContact O-N 3.22Å; Q849-E851 VanDerWaalsContact C-N 3.25Å
850L89.4Confident88.8Confident73 Ų7357 Ų5738%0.38226%0.263SS..THydrogen-bonded Turntrans-80.7-3.4172-71.8169.8000113.3W827 C846 L847 D852W827-L850 HydrophobicContact CB-CD1 4.12Å; W827-L850 HydrophobicContact CB-CD2 3.69Å; W827-L850 HydrophobicContact CB-CG 3.6Å; C846-L850 WeakPolarHBondContact O-CB 3.47Å; C846-L850 WeakPolarHBondContact O-CG 3.48Å; C846-L850 PolarHBondContact O-N 3.41Å; L847-L850 CarbonylContact O-C 3.54Å; L847-L850 PolarHBondContact O-N 3.34Å; L850-D852 PolarHBondContact O-N 3.08Å
851E88.1Confident88.9Confident139 Ų13959.7 Ų59.765%0.6527%0.274SS*.THydrogen-bonded Turntrans57.822.7-173-54.2-178.3169.300113.7L847 Y848 Q849 Y853L847-E851 PolarHBondContact O-N 3.45Å; L847-E851 VanDerWaalsContact O-N 3.09Å; Y848-E851 PolarHBondContact O-N 2.87Å; Q849-E851 VanDerWaalsContact C-N 3.25Å; E851-Y853 VanDerWaalsContact C-N 3.27Å; E851-Y853 HydrophobicContact CB-CE2 4.1Å; E851-Y853 WeakPolarHBondContact O-CD2 3.46Å; E851-Y853 PolarHBondContact O-N 2.92Å
852D88.8Confident88.8Confident68 Ų6863.2 Ų63.236%0.36429%0.288SS..  trans-83.971.1174.5-172.88.3000111.1L847 L850 K854 G855 I856L847-D852 HydrophobicContact CD2-CB 4.12Å; L847-D852 PolarHBondContact O-N 3.32Å; L850-D852 PolarHBondContact O-N 3.08Å; D852-K854 PolarHBondContact O-N 2.95Å; D852-K854 PolarHBondContact OD1-N 3.47Å; D852-G855 PolarHBondContact O-N 2.98Å; D852-G855 VanDerWaalsContact O-N 3.13Å; D852-G855 PolarHBondContact OD1-N 3.22Å; D852-I856 PolarHBondContact O-N 2.97Å
853Y89.1Confident88.7Confident59 Ų5961.4 Ų61.423%0.23128%0.281CS..Hα-helixtrans-64.4-28179.3-55.1-47.8000113.2E851 G855 I856 E857 F877 L880 M882E851-Y853 VanDerWaalsContact C-N 3.27Å; E851-Y853 HydrophobicContact CB-CE2 4.1Å; E851-Y853 WeakPolarHBondContact O-CD2 3.46Å; E851-Y853 PolarHBondContact O-N 2.92Å; Y853-G855 VanDerWaalsContact C-N 3.33Å; Y853-I856 PolarHBondContact O-N 2.94Å; Y853-E857 PolarHBondContact O-N 2.76Å; Y853-F877 HydrophobicContact CD1-CE1 4.25Å; Y853-F877 HydrophobicContact CG-CE1 4.4Å; Y853-L880 HydrophobicContact CD1-CD1 3.93Å; Y853-L880 HydrophobicContact CE1-CD1 3.34Å; Y853-M882 HydrophobicContact CD1-SD 4.49Å; Y853-M882 HydrophobicContact CD2-CE 4.38Å; Y853-M882 HydrophobicContact CD2-SD 3.99Å; Y853-M882 HydrophobicContact CE2-SD 4.46Å; Y853-M882 HydrophobicContact CG-SD 3.99Å
854K88.8Confident88.4Confident147 Ų14764 Ų6464%0.63930%0.301SS*.Hα-helixtrans-68.8-35174.6-68.8-176.9179.3178.10111.2D852 I856 E857 R858D852-K854 PolarHBondContact O-N 2.95Å; D852-K854 PolarHBondContact OD1-N 3.47Å; K854-I856 VanDerWaalsContact C-N 3.34Å; K854-E857 PolarHBondContact O-N 2.98Å; K854-R858 WeakPolarHBondContact O-CG 3.39Å; K854-R858 PolarHBondContact O-N 3.08Å; K854-R858 VanDerWaalsContact O-N 3.15Å
855G87.4Confident88.3Confident8 Ų869.6 Ų69.68%0.08233%0.331CS..Hα-helixtrans-58.7-44.7171.300000112.1D852 Y853 R858 I859D852-G855 PolarHBondContact O-N 2.98Å; D852-G855 VanDerWaalsContact O-N 3.13Å; D852-G855 PolarHBondContact OD1-N 3.22Å; Y853-G855 VanDerWaalsContact C-N 3.33Å; G855-R858 PolarHBondContact O-N 3.45Å; G855-I859 WeakPolarHBondContact O-CG1 3.33Å; G855-I859 PolarHBondContact O-N 3Å
856I89.5Confident88.1Confident3 Ų371.4 Ų71.42%0.01535%0.347CS..Hα-helixtrans-66.1-39.4177-58175.4000111.2L847 Y848 D852 Y853 K854 R858 I859 I860 F873 F877L847-I856 HydrophobicContact CB-CD1 4.38Å; L847-I856 HydrophobicContact CB-CG1 3.88Å; L847-I856 HydrophobicContact CD1-CG1 4.31Å; Y848-I856 HydrophobicContact CD2-CD1 4.41Å; D852-I856 PolarHBondContact O-N 2.97Å; Y853-I856 PolarHBondContact O-N 2.94Å; K854-I856 VanDerWaalsContact C-N 3.34Å; I856-R858 VanDerWaalsContact C-N 3.33Å; I856-R858 PolarHBondContact O-N 2.8Å; I856-I859 WeakPolarHBondContact O-CB 3.34Å; I856-I859 PolarHBondContact O-N 3.43Å; I856-I859 VanDerWaalsContact O-N 3.16Å; I856-I860 HydrophobicContact CG2-CD1 4.3Å; I856-I860 WeakPolarHBondContact O-CG1 3.33Å; I856-I860 PolarHBondContact O-N 3.47Å; I856-F873 HydrophobicContact CG2-CB 4.31Å; I856-F873 HydrophobicContact CG2-CD1 4.44Å; I856-F873 HydrophobicContact CG2-CG 4.24Å; I856-F877 HydrophobicContact CB-CZ 3.96Å; I856-F877 HydrophobicContact CG2-CE2 3.86Å; I856-F877 HydrophobicContact CG2-CZ 3.79Å
857E88.2Confident87.9Confident74 Ų7474.8 Ų74.835%0.34636%0.363SS..Hα-helixtrans-59-42176.4-168.6171.4-155.200112Y853 K854 I859 I860 E861Y853-E857 PolarHBondContact O-N 2.76Å; K854-E857 PolarHBondContact O-N 2.98Å; E857-I859 PolarHBondContact O-N 3.23Å; E857-I860 WeakPolarHBondContact O-CB 3.46Å; E857-I860 PolarHBondContact O-N 3.34Å; E857-E861 WeakPolarHBondContact O-CG 3.33Å; E857-E861 PolarHBondContact O-N 3.49Å
858R89.3Confident87.6Confident159 Ų15981.5 Ų81.560%0.640%0.399SS*.Hα-helixtrans-61.9-40.5174.2-67.4175.8-170160.94.3112.7K854 G855 I856 I860 E861 E862K854-R858 WeakPolarHBondContact O-CG 3.39Å; K854-R858 PolarHBondContact O-N 3.08Å; K854-R858 VanDerWaalsContact O-N 3.15Å; G855-R858 PolarHBondContact O-N 3.45Å; I856-R858 VanDerWaalsContact C-N 3.33Å; I856-R858 PolarHBondContact O-N 2.8Å; R858-I860 VanDerWaalsContact C-N 3.32Å; R858-E861 PolarHBondContact O-N 3.03Å; R858-E862 WeakPolarHBondContact O-CG 3.48Å; R858-E862 PolarHBondContact O-N 3.44Å
859I88.3Confident87.5Confident14 Ų1479.3 Ų79.37%0.07239%0.393CS..Hα-helixtrans-63.1-42.5175.7-60.7169.5000109.9F843 A844 L847 G855 I856 E857 E861 E862 L863 F873F843-I859 HydrophobicContact CD1-CD1 3.66Å; F843-I859 HydrophobicContact CE1-CD1 3.71Å; F843-I859 HydrophobicContact CE1-CG1 4.36Å; A844-I859 HydrophobicContact CB-CD1 4.49Å; L847-I859 HydrophobicContact CD1-CD1 3.65Å; G855-I859 WeakPolarHBondContact O-CG1 3.33Å; G855-I859 PolarHBondContact O-N 3Å; I856-I859 WeakPolarHBondContact O-CB 3.34Å; I856-I859 PolarHBondContact O-N 3.43Å; I856-I859 VanDerWaalsContact O-N 3.16Å; E857-I859 PolarHBondContact O-N 3.23Å; I859-E861 VanDerWaalsContact C-N 3.31Å; I859-E861 PolarHBondContact O-N 2.84Å; I859-E862 PolarHBondContact O-N 3.12Å; I859-L863 HydrophobicContact CG2-CD1 4.02Å; I859-L863 HydrophobicContact CG2-CG 4.31Å; I859-L863 VanDerWaalsContact O-CG 3.26Å; I859-L863 WeakPolarHBondContact O-CG 3.24Å; I859-L863 PolarHBondContact O-N 3.28Å; I859-L863 VanDerWaalsContact O-N 3.08Å; I859-F873 HydrophobicContact CG2-CE2 3.8Å; I859-F873 HydrophobicContact CG2-CZ 4.21Å
860I87.8Confident87.5Confident4 Ų475 Ų752%0.02137%0.372CS..Hα-helixtrans-60.9-41.3176.4-71.5172.1000111.1I856 E857 R858 L870 F873 F877 A889 K892I856-I860 HydrophobicContact CG2-CD1 4.3Å; I856-I860 WeakPolarHBondContact O-CG1 3.33Å; I856-I860 PolarHBondContact O-N 3.47Å; E857-I860 WeakPolarHBondContact O-CB 3.46Å; E857-I860 PolarHBondContact O-N 3.34Å; R858-I860 VanDerWaalsContact C-N 3.32Å; I860-L870 HydrophobicContact CB-CD2 4.23Å; I860-L870 HydrophobicContact CG1-CD2 4.12Å; I860-L870 HydrophobicContact CG2-CD2 3.84Å; I860-F873 HydrophobicContact CD1-CB 3.83Å; I860-F873 HydrophobicContact CD1-CD2 4.38Å; I860-F873 HydrophobicContact CG1-CB 4.09Å; I860-F873 HydrophobicContact CG1-CD2 3.69Å; I860-F873 HydrophobicContact CG1-CG 4.31Å; I860-F877 HydrophobicContact CD1-CD2 4.16Å; I860-F877 HydrophobicContact CD1-CE2 3.57Å; I860-A889 HydrophobicContact CD1-CB 4.12Å; I860-K892 HydrophobicContact CG2-CD 4.24Å; I860-K892 PolarHBondContact O-NZ 3.05Å
861E88Confident87.5Confident125 Ų12576.5 Ų76.558%0.58437%0.374SS*.Hα-helixtrans-64.2-43.4178-73.2-179.6171.900112.5E857 R858 I859 K892E857-E861 WeakPolarHBondContact O-CG 3.33Å; E857-E861 PolarHBondContact O-N 3.49Å; R858-E861 PolarHBondContact O-N 3.03Å; I859-E861 VanDerWaalsContact C-N 3.31Å; I859-E861 PolarHBondContact O-N 2.84Å; E861-K892 PolarHBondContact O-NZ 2.84Å
862E86.9Confident87.4Confident166 Ų16672.5 Ų72.578%0.77636%0.357SS*.Hα-helixtrans-71.3-26.8-179.4-71.2177.8-176.600113.7R858 I859R858-E862 WeakPolarHBondContact O-CG 3.48Å; R858-E862 PolarHBondContact O-N 3.44Å; I859-E862 PolarHBondContact O-N 3.12Å
863L86.5Confident87.5Confident17 Ų1769.3 Ų69.39%0.08934%0.339CS..SBendtrans-71143.6179.8-76.5173.5000112.4L840 I859 H867 A869 L870 F873 K892L840-L863 HydrophobicContact CD1-CD2 4.24Å; I859-L863 HydrophobicContact CG2-CD1 4.02Å; I859-L863 HydrophobicContact CG2-CG 4.31Å; I859-L863 VanDerWaalsContact O-CG 3.26Å; I859-L863 WeakPolarHBondContact O-CG 3.24Å; I859-L863 PolarHBondContact O-N 3.28Å; I859-L863 VanDerWaalsContact O-N 3.08Å; L863-H867 HydrophobicContact CB-CB 4.34Å; L863-H867 HydrophobicContact CD2-CB 4.49Å; L863-A869 HydrophobicContact CD1-CB 4.33Å; L863-L870 HydrophobicContact CB-CD2 4.2Å; L863-L870 HydrophobicContact CD1-CD2 4.12Å; L863-L870 HydrophobicContact CD1-CG 4.45Å; L863-F873 HydrophobicContact CD1-CD2 4.32Å; L863-F873 HydrophobicContact CD1-CE2 3.68Å; L863-K892 WeakPolarHBondContact O-CE 3.41Å; L863-K892 PolarHBondContact O-NZ 3.21Å
864P86.9Confident87.5Confident85 Ų8566.5 Ų66.555%0.55233%0.328SS*.PPolyproline II helixtrans-61.6150.6172.9-1222.8000112H867 L870P864-H867 WeakPolarHBondContact O-CB 3.34Å; P864-H867 PolarHBondContact O-N 3.06Å; P864-L870 WeakPolarHBondContact O-CD1 3.49Å
865D84.6Confident87.5Confident119 Ų11962.2 Ų62.264%0.63631%0.312SS*.THydrogen-bonded Turntrans-54.7141.1170-67.6-6.8000110.2H867 K892D865-H867 VanDerWaalsContact C-N 3.3Å; D865-H867 PolarHBondContact O-N 3.13Å; D865-K892 WeakPolarHBondContact OD1-CE 3.44Å; D865-K892 WeakPolarHBondContact OD1-CG 3.17Å
866C83.2Confident87.5Confident81 Ų8164.5 Ų64.555%0.54732%0.318SS..THydrogen-bonded Turntrans6517-175.6-51.10000116.7K892C866-K892 PolarHBondContact N-O 2.84Å
867H87.2Confident87.6Confident72 Ų7264.5 Ų64.533%0.33332%0.318SS..  trans-65.9136.7171.3-172-83.2000112.2L863 P864 D865 A869 L870L863-H867 HydrophobicContact CB-CB 4.34Å; L863-H867 HydrophobicContact CD2-CB 4.49Å; P864-H867 WeakPolarHBondContact O-CB 3.34Å; P864-H867 PolarHBondContact O-N 3.06Å; D865-H867 VanDerWaalsContact C-N 3.3Å; D865-H867 PolarHBondContact O-N 3.13Å; H867-A869 VanDerWaalsContact C-N 3.28Å; H867-A869 WeakPolarHBondContact ND1-CB 3.43Å; H867-A869 PolarHBondContact ND1-N 2.88Å; H867-A869 VanDerWaalsContact ND1-N 3.17Å; H867-A869 PolarHBondContact O-N 2.84Å; H867-L870 HydrophobicContact CB-CD1 4.19Å; H867-L870 HydrophobicContact CB-CG 4.21Å; H867-L870 VanDerWaalsContact O-CB 3.3Å; H867-L870 WeakPolarHBondContact O-CB 2.93Å; H867-L870 PolarHBondContact O-N 2.89Å
868D84.9Confident87.5Confident151 Ų15161.2 Ų61.281%0.80730%0.304SS*.THydrogen-bonded Turntrans-56.8-36.9-173.2-69.1-24.3000113.7L870 Y871D868-L870 VanDerWaalsContact C-N 3.26Å; D868-L870 PolarHBondContact O-N 3.47Å; D868-Y871 PolarHBondContact O-N 3.4Å
869A85.8Confident87.4Confident11 Ų1159 Ų599%0.09130%0.304CS..Hα-helixtrans-65.5-22.8178.900000114.3L841 L863 H867 Y871 D872 F873L841-A869 HydrophobicContact CD2-CB 4.08Å; L863-A869 HydrophobicContact CD1-CB 4.33Å; H867-A869 VanDerWaalsContact C-N 3.28Å; H867-A869 WeakPolarHBondContact ND1-CB 3.43Å; H867-A869 PolarHBondContact ND1-N 2.88Å; H867-A869 VanDerWaalsContact ND1-N 3.17Å; H867-A869 PolarHBondContact O-N 2.84Å; A869-Y871 PolarHBondContact O-N 3.5Å; A869-D872 PolarHBondContact O-N 3.22Å; A869-F873 HydrophobicContact CB-CE2 3.98Å; A869-F873 HydrophobicContact CB-CZ 4Å; A869-F873 WeakPolarHBondContact O-CD2 3.42Å; A869-F873 WeakPolarHBondContact O-CG 3.44Å; A869-F873 PolarHBondContact O-N 2.9Å; A869-F873 VanDerWaalsContact O-N 3.16Å
870L88.5Confident87.3Confident0 Ų061.3 Ų61.30%032%0.316CS..Hα-helixtrans-61.1-33.6-179-70173000112.1I860 L863 P864 H867 D868 F873 G874 K892 C893I860-L870 HydrophobicContact CB-CD2 4.23Å; I860-L870 HydrophobicContact CG1-CD2 4.12Å; I860-L870 HydrophobicContact CG2-CD2 3.84Å; L863-L870 HydrophobicContact CB-CD2 4.2Å; L863-L870 HydrophobicContact CD1-CD2 4.12Å; L863-L870 HydrophobicContact CD1-CG 4.45Å; P864-L870 WeakPolarHBondContact O-CD1 3.49Å; H867-L870 HydrophobicContact CB-CD1 4.19Å; H867-L870 HydrophobicContact CB-CG 4.21Å; H867-L870 VanDerWaalsContact O-CB 3.3Å; H867-L870 WeakPolarHBondContact O-CB 2.93Å; H867-L870 PolarHBondContact O-N 2.89Å; D868-L870 VanDerWaalsContact C-N 3.26Å; D868-L870 PolarHBondContact O-N 3.47Å; L870-F873 PolarHBondContact O-N 2.85Å; L870-G874 PolarHBondContact O-N 2.81Å; L870-K892 HydrophobicContact CD1-CB 4.36Å; L870-K892 HydrophobicContact CD1-CD 4.25Å; L870-K892 HydrophobicContact CD1-CG 4.02Å; L870-K892 HydrophobicContact CD2-CD 4.39Å; L870-C893 HydrophobicContact CB-CB 4.25Å
871Y89.3Confident87.1Confident105 Ų10563 Ų6341%0.41233%0.334SS..Hα-helixtrans-65.5-43.3177.7-176.4-93000111.8D868 A869 G874 L875 F890D868-Y871 PolarHBondContact O-N 3.4Å; A869-Y871 PolarHBondContact O-N 3.5Å; Y871-G874 PolarHBondContact O-N 3.18Å; Y871-L875 PolarHBondContact O-N 3.04Å; Y871-F890 HydrophobicContact CD2-CD1 4.45Å; Y871-F890 HydrophobicContact CD2-CE1 4.08Å; Y871-F890 HydrophobicContact CE2-CE1 4.1Å
872D87.3Confident87Confident54 Ų5459.4 Ų59.429%0.28932%0.318SS..Hα-helixtrans-65.7-40.3178.4-16648.6000111A869 L875 R876A869-D872 PolarHBondContact O-N 3.22Å; D872-L875 PolarHBondContact O-N 3.21Å; D872-R876 VanDerWaalsContact O-CG 3.31Å; D872-R876 WeakPolarHBondContact O-CG 3.29Å; D872-R876 PolarHBondContact O-N 3.33Å; D872-R876 IonicContact OD2-CZ 3.61Å; D872-R876 IonicContact OD2-NE 2.69Å; D872-R876 PolarHBondContact OD2-NE 3.42Å; D872-R876 IonicContact OD2-NH2 3.72Å; D872-R876 PolarHBondContact OD2-NH2 3.33Å
873F90.1Very high86.9Confident1 Ų152.9 Ų52.90%0.00429%0.288CS..Hα-helixtrans-65.5-41.2175.8-55.4-26.8000112.4A844 I856 I859 I860 L863 A869 L870 L875 R876 F877A844-F873 HydrophobicContact CB-CD1 4.25Å; A844-F873 HydrophobicContact CB-CE1 3.34Å; A844-F873 HydrophobicContact CB-CZ 3.74Å; I856-F873 HydrophobicContact CG2-CB 4.31Å; I856-F873 HydrophobicContact CG2-CD1 4.44Å; I856-F873 HydrophobicContact CG2-CG 4.24Å; I859-F873 HydrophobicContact CG2-CE2 3.8Å; I859-F873 HydrophobicContact CG2-CZ 4.21Å; I860-F873 HydrophobicContact CD1-CB 3.83Å; I860-F873 HydrophobicContact CD1-CD2 4.38Å; I860-F873 HydrophobicContact CG1-CB 4.09Å; I860-F873 HydrophobicContact CG1-CD2 3.69Å; I860-F873 HydrophobicContact CG1-CG 4.31Å; L863-F873 HydrophobicContact CD1-CD2 4.32Å; L863-F873 HydrophobicContact CD1-CE2 3.68Å; A869-F873 HydrophobicContact CB-CE2 3.98Å; A869-F873 HydrophobicContact CB-CZ 4Å; A869-F873 WeakPolarHBondContact O-CD2 3.42Å; A869-F873 WeakPolarHBondContact O-CG 3.44Å; A869-F873 PolarHBondContact O-N 2.9Å; A869-F873 VanDerWaalsContact O-N 3.16Å; L870-F873 PolarHBondContact O-N 2.85Å; F873-L875 VanDerWaalsContact C-N 3.34Å; F873-L875 PolarHBondContact O-N 3.06Å; F873-R876 PolarHBondContact O-N 3.46Å; F873-F877 WeakPolarHBondContact O-CD2 3.33Å; F873-F877 PolarHBondContact O-N 3.23Å
874G88.2Confident87Confident0 Ų060.6 Ų60.60%032%0.321CS..Hα-helixtrans-61.4-40.4174.300000112.9L870 Y871 F877 A878 F890L870-G874 PolarHBondContact O-N 2.81Å; Y871-G874 PolarHBondContact O-N 3.18Å; G874-F877 PolarHBondContact O-N 3.45Å; G874-A878 WeakPolarHBondContact O-CB 3.28Å; G874-A878 PolarHBondContact O-N 3.16Å; G874-F890 WeakPolarHBondContact O-CE2 3.19Å
875L89.1Confident87.1Confident57 Ų5759 Ų5930%0.29831%0.306SS..Hα-helixtrans-67.8-40.9176.5-16967.9000112.2Y871 D872 F873 A878 N879Y871-L875 PolarHBondContact O-N 3.04Å; D872-L875 PolarHBondContact O-N 3.21Å; F873-L875 VanDerWaalsContact C-N 3.34Å; F873-L875 PolarHBondContact O-N 3.06Å; L875-A878 PolarHBondContact O-N 2.94Å; L875-N879 VanDerWaalsContact O-CG 3.24Å; L875-N879 PolarHBondContact O-N 2.93Å; L875-N879 PolarHBondContact O-ND2 3Å
876R88Confident87.4Confident57 Ų5753.3 Ų53.322%0.21528%0.276CS..Hα-helixtrans-59.9-45.9174.2-73.6174.1-167.8-107.22.4111.6Y848 D872 F873 A878 N879 L880Y848-R876 HydrophobicContact CD2-CB 4.11Å; Y848-R876 HydrophobicContact CD2-CG 4.33Å; Y848-R876 HydrophobicContact CE2-CB 3.85Å; Y848-R876 HydrophobicContact CE2-CG 4.2Å; D872-R876 VanDerWaalsContact O-CG 3.31Å; D872-R876 WeakPolarHBondContact O-CG 3.29Å; D872-R876 PolarHBondContact O-N 3.33Å; D872-R876 IonicContact OD2-CZ 3.61Å; D872-R876 IonicContact OD2-NE 2.69Å; D872-R876 PolarHBondContact OD2-NE 3.42Å; D872-R876 IonicContact OD2-NH2 3.72Å; D872-R876 PolarHBondContact OD2-NH2 3.33Å; F873-R876 PolarHBondContact O-N 3.46Å; R876-A878 PolarHBondContact O-N 3.41Å; R876-N879 PolarHBondContact O-N 3.32Å; R876-L880 WeakPolarHBondContact O-CG 3.37Å; R876-L880 PolarHBondContact O-N 2.98Å
877F90.6Very high87.7Confident2 Ų250.2 Ų50.21%0.00926%0.255CS..Hα-helixtrans-64.8-37.6174.9-76-48.4000113Y853 I856 I860 F873 G874 L880 G881 M882 Q885 A886Y853-F877 HydrophobicContact CD1-CE1 4.25Å; Y853-F877 HydrophobicContact CG-CE1 4.4Å; I856-F877 HydrophobicContact CB-CZ 3.96Å; I856-F877 HydrophobicContact CG2-CE2 3.86Å; I856-F877 HydrophobicContact CG2-CZ 3.79Å; I860-F877 HydrophobicContact CD1-CD2 4.16Å; I860-F877 HydrophobicContact CD1-CE2 3.57Å; F873-F877 WeakPolarHBondContact O-CD2 3.33Å; F873-F877 PolarHBondContact O-N 3.23Å; G874-F877 PolarHBondContact O-N 3.45Å; F877-L880 PolarHBondContact O-N 3.02Å; F877-G881 PolarHBondContact O-N 3.32Å; F877-M882 HydrophobicContact CB-CB 4.28Å; F877-M882 HydrophobicContact CD1-CB 4.1Å; F877-M882 HydrophobicContact CD1-SD 3.82Å; F877-M882 HydrophobicContact CE1-SD 4.04Å; F877-M882 PolarHBondContact O-N 2.88Å; F877-Q885 HydrophobicContact CB-CB 4.21Å; F877-Q885 HydrophobicContact CD1-CB 4.03Å; F877-Q885 HydrophobicContact CD2-CB 3.71Å; F877-Q885 HydrophobicContact CE1-CB 4.32Å; F877-Q885 HydrophobicContact CE2-CB 3.98Å; F877-Q885 HydrophobicContact CG-CB 3.73Å; F877-Q885 HydrophobicContact CZ-CB 4.29Å; F877-A886 HydrophobicContact CB-CB 3.85Å
878A87.8Confident87.8Confident6 Ų651.3 Ų51.35%0.0526%0.259CS..Hα-helixtrans-63.9-40175.800000112.2G874 L875 R876 L880 G881 A886 F890 V902G874-A878 WeakPolarHBondContact O-CB 3.28Å; G874-A878 PolarHBondContact O-N 3.16Å; L875-A878 PolarHBondContact O-N 2.94Å; R876-A878 PolarHBondContact O-N 3.41Å; A878-L880 VanDerWaalsContact C-N 3.28Å; A878-L880 PolarHBondContact O-N 3.43Å; A878-G881 PolarHBondContact O-N 3.43Å; A878-G881 VanDerWaalsContact O-N 3.1Å; A878-A886 HydrophobicContact CB-CB 4.06Å; A878-F890 HydrophobicContact CB-CE2 4.24Å; A878-V902 HydrophobicContact CB-CG1 3.82Å; A878-V902 HydrophobicContact CB-CG2 4.05Å
879N86.6Confident88.1Confident112 Ų11244.1 Ų44.160%0.59922%0.221SC*.Hα-helixtrans-67.7-28.3177.4-69.5-17.8000112.7L875 R876 G881L875-N879 VanDerWaalsContact O-CG 3.24Å; L875-N879 PolarHBondContact O-N 2.93Å; L875-N879 PolarHBondContact O-ND2 3Å; R876-N879 PolarHBondContact O-N 3.32Å; N879-G881 VanDerWaalsContact C-N 3.29Å
880L86.4Confident88.3Confident62 Ų6243.7 Ų43.733%0.32522%0.217SC..THydrogen-bonded Turntrans-81.2-4.8173-69.1169.2000113.5Y848 Y853 R876 F877 A878 M882Y848-L880 HydrophobicContact CD2-CD1 4.2Å; Y848-L880 HydrophobicContact CE2-CD1 3.49Å; Y848-L880 VanDerWaalsContact CE2-CD1 3.49Å; Y848-L880 HydrophobicContact CE2-CD2 4.33Å; Y848-L880 HydrophobicContact CE2-CG 3.94Å; Y853-L880 HydrophobicContact CD1-CD1 3.93Å; Y853-L880 HydrophobicContact CE1-CD1 3.34Å; R876-L880 WeakPolarHBondContact O-CG 3.37Å; R876-L880 PolarHBondContact O-N 2.98Å; F877-L880 PolarHBondContact O-N 3.02Å; A878-L880 VanDerWaalsContact C-N 3.28Å; A878-L880 PolarHBondContact O-N 3.43Å; L880-M882 VanDerWaalsContact C-N 3.25Å; L880-M882 HydrophobicContact CB-CG 4.1Å; L880-M882 HydrophobicContact CD1-SD 4.45Å; L880-M882 PolarHBondContact O-N 3.12Å
881G83Confident88.2Confident39 Ų3947 Ų4740%0.40223%0.234SC..THydrogen-bonded Turntrans73.812.1-174.100000114.3F877 A878 N879 I883F877-G881 PolarHBondContact O-N 3.32Å; A878-G881 PolarHBondContact O-N 3.43Å; A878-G881 VanDerWaalsContact O-N 3.1Å; N879-G881 VanDerWaalsContact C-N 3.29Å; G881-I883 VanDerWaalsContact C-N 3.33Å; G881-I883 PolarHBondContact O-N 3.38Å
882M86.5Confident88.2Confident51 Ų5143.6 Ų43.625%0.25122%0.222SC..  trans-82.176.1178.8-65.1-171.384.400110.9Y853 F877 L880 K884 Q885 A886Y853-M882 HydrophobicContact CD1-SD 4.49Å; Y853-M882 HydrophobicContact CD2-CE 4.38Å; Y853-M882 HydrophobicContact CD2-SD 3.99Å; Y853-M882 HydrophobicContact CE2-SD 4.46Å; Y853-M882 HydrophobicContact CG-SD 3.99Å; F877-M882 HydrophobicContact CB-CB 4.28Å; F877-M882 HydrophobicContact CD1-CB 4.1Å; F877-M882 HydrophobicContact CD1-SD 3.82Å; F877-M882 HydrophobicContact CE1-SD 4.04Å; F877-M882 PolarHBondContact O-N 2.88Å; L880-M882 VanDerWaalsContact C-N 3.25Å; L880-M882 HydrophobicContact CB-CG 4.1Å; L880-M882 HydrophobicContact CD1-SD 4.45Å; L880-M882 PolarHBondContact O-N 3.12Å; M882-K884 PolarHBondContact O-N 3.34Å; M882-Q885 HydrophobicContact CB-CB 4.48Å; M882-Q885 HydrophobicContact CE-CG 4.45Å; M882-Q885 PolarHBondContact O-N 3.18Å; M882-A886 WeakPolarHBondContact O-CB 3.27Å; M882-A886 PolarHBondContact O-N 2.97Å
883I85.4Confident88.2Confident28 Ų2842 Ų4214%0.14421%0.214CC..Hα-helixtrans-62.1-42.5-168.2-64.6168.3000112.6G881 Q885 A886 V887 L906 E908G881-I883 VanDerWaalsContact C-N 3.33Å; G881-I883 PolarHBondContact O-N 3.38Å; I883-Q885 PolarHBondContact O-N 3.19Å; I883-A886 PolarHBondContact O-N 3.25Å; I883-V887 HydrophobicContact CG2-CG2 3.93Å; I883-V887 VanDerWaalsContact O-CB 3.27Å; I883-V887 WeakPolarHBondContact O-CB 3.32Å; I883-V887 WeakPolarHBondContact O-CG2 3.25Å; I883-V887 PolarHBondContact O-N 3.45Å; I883-L906 HydrophobicContact CD1-CB 3.79Å; I883-L906 HydrophobicContact CD1-CD1 3.91Å; I883-L906 HydrophobicContact CD1-CG 4.5Å; I883-L906 HydrophobicContact CG1-CB 4.3Å; I883-L906 HydrophobicContact CG1-CD1 3.46Å; I883-L906 VanDerWaalsContact CG1-CD1 3.46Å; I883-E908 HydrophobicContact CD1-CB 4.05Å; I883-E908 HydrophobicContact CD1-CG 3.27Å
884K87.8Confident88Confident179 Ų17947.7 Ų47.778%0.77825%0.245SC*.Hα-helixtrans-61.9-45.2-177-66.6-178.1-179.6178.40111.6M882 H888M882-K884 PolarHBondContact O-N 3.34Å; K884-H888 WeakPolarHBondContact O-CB 3.45Å; K884-H888 PolarHBondContact O-N 3.44Å
885Q89.5Confident87.8Confident52 Ų5253.4 Ų53.424%0.24327%0.266CS..Hα-helixtrans-70.6-42.2179.2-64.979.9-3.300111.3F877 M882 I883 H888 A889F877-Q885 HydrophobicContact CB-CB 4.21Å; F877-Q885 HydrophobicContact CD1-CB 4.03Å; F877-Q885 HydrophobicContact CD2-CB 3.71Å; F877-Q885 HydrophobicContact CE1-CB 4.32Å; F877-Q885 HydrophobicContact CE2-CB 3.98Å; F877-Q885 HydrophobicContact CG-CB 3.73Å; F877-Q885 HydrophobicContact CZ-CB 4.29Å; M882-Q885 HydrophobicContact CB-CB 4.48Å; M882-Q885 HydrophobicContact CE-CG 4.45Å; M882-Q885 PolarHBondContact O-N 3.18Å; I883-Q885 PolarHBondContact O-N 3.19Å; Q885-H888 PolarHBondContact O-N 2.81Å; Q885-A889 WeakPolarHBondContact O-CB 3.5Å; Q885-A889 PolarHBondContact O-N 3.49Å
886A90.3Very high87.6Confident0 Ų057.3 Ų57.30%028%0.277CS..Hα-helixtrans-60.5-49.2175.400000111.3F877 A878 M882 I883 H888 A889 F890F877-A886 HydrophobicContact CB-CB 3.85Å; A878-A886 HydrophobicContact CB-CB 4.06Å; M882-A886 WeakPolarHBondContact O-CB 3.27Å; M882-A886 PolarHBondContact O-N 2.97Å; I883-A886 PolarHBondContact O-N 3.25Å; A886-H888 VanDerWaalsContact C-N 3.33Å; A886-H888 PolarHBondContact O-N 3.08Å; A886-A889 PolarHBondContact O-N 3.39Å; A886-F890 HydrophobicContact CB-CD2 4.42Å; A886-F890 HydrophobicContact CB-CE2 4.24Å; A886-F890 WeakPolarHBondContact O-CD2 3.08Å; A886-F890 WeakPolarHBondContact O-CG 3.39Å; A886-F890 PolarHBondContact O-N 3.09Å
887V88.9Confident87.4Confident16 Ų1661.1 Ų61.110%0.09730%0.295CS..Hα-helixtrans-61.5-41.4177.5170.50000110.6I883 F890 I891 A899 L915I883-V887 HydrophobicContact CG2-CG2 3.93Å; I883-V887 VanDerWaalsContact O-CB 3.27Å; I883-V887 WeakPolarHBondContact O-CB 3.32Å; I883-V887 WeakPolarHBondContact O-CG2 3.25Å; I883-V887 PolarHBondContact O-N 3.45Å; V887-F890 PolarHBondContact O-N 2.81Å; V887-I891 HydrophobicContact CG1-CD1 3.53Å; V887-I891 HydrophobicContact CG1-CG1 4.22Å; V887-I891 WeakPolarHBondContact O-CB 3.21Å; V887-I891 WeakPolarHBondContact O-CG1 3.49Å; V887-I891 PolarHBondContact O-N 2.8Å; V887-A899 HydrophobicContact CG1-CB 4.32Å; V887-A899 HydrophobicContact CG2-CB 4.3Å; V887-L915 HydrophobicContact CG1-CD1 4.22Å; V887-L915 HydrophobicContact CG1-CD2 4.25Å; V887-L915 HydrophobicContact CG2-CD1 4.4Å
888H89.9Confident87.2Confident94 Ų9463.4 Ų63.444%0.43531%0.306SS..Hα-helixtrans-61-48175.6-17563.6000112.3K884 Q885 A886 F890 I891 K892K884-H888 WeakPolarHBondContact O-CB 3.45Å; K884-H888 PolarHBondContact O-N 3.44Å; Q885-H888 PolarHBondContact O-N 2.81Å; A886-H888 VanDerWaalsContact C-N 3.33Å; A886-H888 PolarHBondContact O-N 3.08Å; H888-F890 PolarHBondContact O-N 3.5Å; H888-I891 PolarHBondContact O-N 2.85Å; H888-K892 WeakPolarHBondContact O-CB 3.28Å; H888-K892 PolarHBondContact O-N 3.27Å
889A90.2Very high87.2Confident0 Ų063.1 Ų63.10%030%0.304CS..Hα-helixtrans-61.5-43.6177.400000112.2I860 Q885 A886 K892 C893I860-A889 HydrophobicContact CD1-CB 4.12Å; Q885-A889 WeakPolarHBondContact O-CB 3.5Å; Q885-A889 PolarHBondContact O-N 3.49Å; A886-A889 PolarHBondContact O-N 3.39Å; A889-K892 PolarHBondContact O-N 3.37Å; A889-C893 WeakPolarHBondContact O-CB 3.22Å; A889-C893 PolarHBondContact O-N 3.07Å
890F90.2Very high87Confident3 Ų358.2 Ų58.21%0.01328%0.277CS..Hα-helixtrans-68.2-36.8177.4-72.1-52.6000112.8Y871 G874 A878 A886 V887 H888 C893 N894 R895 E898 A899 V902Y871-F890 HydrophobicContact CD2-CD1 4.45Å; Y871-F890 HydrophobicContact CD2-CE1 4.08Å; Y871-F890 HydrophobicContact CE2-CE1 4.1Å; G874-F890 WeakPolarHBondContact O-CE2 3.19Å; A878-F890 HydrophobicContact CB-CE2 4.24Å; A886-F890 HydrophobicContact CB-CD2 4.42Å; A886-F890 HydrophobicContact CB-CE2 4.24Å; A886-F890 WeakPolarHBondContact O-CD2 3.08Å; A886-F890 WeakPolarHBondContact O-CG 3.39Å; A886-F890 PolarHBondContact O-N 3.09Å; V887-F890 PolarHBondContact O-N 2.81Å; H888-F890 PolarHBondContact O-N 3.5Å; F890-C893 CarbonylContact O-C 3.53Å; F890-C893 PolarHBondContact O-N 3.32Å; F890-N894 PolarHBondContact O-N 3.06Å; F890-R895 HydrophobicContact CD1-CB 4.45Å; F890-R895 PolarHBondContact O-N 3.06Å; F890-E898 HydrophobicContact CD1-CB 4.42Å; F890-A899 HydrophobicContact CB-CB 4.01Å; F890-V902 HydrophobicContact CE2-CG2 3.88Å
891I87.9Confident87Confident69 Ų6958 Ų5835%0.35428%0.276SS..Hα-helixtrans-65.1-42.8173.5-70.2169.7000110.3V887 H888 C893 N894 R896 L915V887-I891 HydrophobicContact CG1-CD1 3.53Å; V887-I891 HydrophobicContact CG1-CG1 4.22Å; V887-I891 WeakPolarHBondContact O-CB 3.21Å; V887-I891 WeakPolarHBondContact O-CG1 3.49Å; V887-I891 PolarHBondContact O-N 2.8Å; H888-I891 PolarHBondContact O-N 2.85Å; I891-C893 VanDerWaalsContact C-N 3.26Å; I891-C893 PolarHBondContact O-N 2.87Å; I891-N894 WeakPolarHBondContact O-CA 3.4Å; I891-N894 PolarHBondContact O-N 2.82Å; I891-R896 HydrophobicContact CG1-CG 4.37Å; I891-L915 HydrophobicContact CD1-CD2 4.49Å
892K88.9Confident87.2Confident34 Ų3456.3 Ų56.315%0.14826%0.258CS..Hα-helixtrans-66.3-26.9176.7-160.2176.1179.7-179.30113I860 E861 L863 D865 C866 L870 H888 A889 N894I860-K892 HydrophobicContact CG2-CD 4.24Å; I860-K892 PolarHBondContact O-NZ 3.05Å; E861-K892 PolarHBondContact O-NZ 2.84Å; L863-K892 WeakPolarHBondContact O-CE 3.41Å; L863-K892 PolarHBondContact O-NZ 3.21Å; D865-K892 WeakPolarHBondContact OD1-CE 3.44Å; D865-K892 WeakPolarHBondContact OD1-CG 3.17Å; C866-K892 PolarHBondContact N-O 2.84Å; L870-K892 HydrophobicContact CD1-CB 4.36Å; L870-K892 HydrophobicContact CD1-CD 4.25Å; L870-K892 HydrophobicContact CD1-CG 4.02Å; L870-K892 HydrophobicContact CD2-CD 4.39Å; H888-K892 WeakPolarHBondContact O-CB 3.28Å; H888-K892 PolarHBondContact O-N 3.27Å; A889-K892 PolarHBondContact O-N 3.37Å; K892-N894 VanDerWaalsContact C-N 3.29Å
893C87.3Confident87.1Confident20 Ų2053.9 Ų53.914%0.13525%0.246CC..THydrogen-bonded Turntrans-82.81.3171-165.30000113.4L870 A889 F890 I891 R895L870-C893 HydrophobicContact CB-CB 4.25Å; A889-C893 WeakPolarHBondContact O-CB 3.22Å; A889-C893 PolarHBondContact O-N 3.07Å; F890-C893 CarbonylContact O-C 3.53Å; F890-C893 PolarHBondContact O-N 3.32Å; I891-C893 VanDerWaalsContact C-N 3.26Å; I891-C893 PolarHBondContact O-N 2.87Å; C893-R895 VanDerWaalsContact C-N 3.35Å; C893-R895 HydrophobicContact CB-CG 4.28Å; C893-R895 WeakPolarHBondContact O-CG 3.34Å; C893-R895 PolarHBondContact O-N 3.44Å
894N85.6Confident87Confident120 Ų12053.5 Ų53.564%0.64224%0.244SC*.THydrogen-bonded Turntrans58.637.7-175.4-159.622.9000114.6F890 I891 K892F890-N894 PolarHBondContact O-N 3.06Å; I891-N894 WeakPolarHBondContact O-CA 3.4Å; I891-N894 PolarHBondContact O-N 2.82Å; K892-N894 VanDerWaalsContact C-N 3.29Å
895R84.2Confident86.7Confident121 Ų12152.7 Ų52.746%0.45724%0.237SC..  trans-120.760-173.9-69.7-84178.4172.82.6111.2F890 C893 K897 E898 A899F890-R895 HydrophobicContact CD1-CB 4.45Å; F890-R895 PolarHBondContact O-N 3.06Å; C893-R895 VanDerWaalsContact C-N 3.35Å; C893-R895 HydrophobicContact CB-CG 4.28Å; C893-R895 WeakPolarHBondContact O-CG 3.34Å; C893-R895 PolarHBondContact O-N 3.44Å; R895-K897 PolarHBondContact O-N 3.44Å; R895-E898 VanDerWaalsContact C-OE2 3.22Å; R895-E898 WeakPolarHBondContact CA-OE2 3.15Å; R895-E898 HydrophobicContact CB-CB 4.34Å; R895-E898 HydrophobicContact CB-CG 4.39Å; R895-E898 WeakPolarHBondContact CB-OE2 3.29Å; R895-E898 VanDerWaalsContact CD-CD 3.42Å; R895-E898 WeakPolarHBondContact CD-OE1 3.49Å; R895-E898 IonicContact CZ-OE1 2.6Å; R895-E898 IonicContact NE-OE1 3.78Å; R895-E898 IonicContact NH1-OE1 3.19Å; R895-E898 PolarHBondContact NH1-OE1 3.48Å; R895-E898 PolarHBondContact O-N 2.89Å; R895-A899 PolarHBondContact O-N 3.13Å
896R84.2Confident86.3Confident139 Ų13953.2 Ų53.253%0.52524%0.241SC..Hα-helixtrans-68.2-31.2-174.5-70.8-177.4-176.2162.41.4114.1I891 E898 A899 I900I891-R896 HydrophobicContact CG1-CG 4.37Å; R896-E898 VanDerWaalsContact C-N 3.32Å; R896-A899 WeakPolarHBondContact O-CB 3.49Å; R896-A899 PolarHBondContact O-N 2.94Å; R896-I900 PolarHBondContact O-N 2.85Å
897K85.1Confident85.6Confident137 Ų13757 Ų5760%0.59626%0.261SS*.Hα-helixtrans-63.5-43.4177.3-72.7-178.4179.5176.40110.2R895 A899 I900 D901R895-K897 PolarHBondContact O-N 3.44Å; K897-A899 VanDerWaalsContact C-N 3.3Å; K897-A899 PolarHBondContact O-N 3.29Å; K897-I900 PolarHBondContact O-N 2.86Å; K897-D901 WeakPolarHBondContact O-CB 3.49Å; K897-D901 PolarHBondContact O-N 3.25Å
898E85.5Confident85.1Confident49 Ų4959.7 Ų59.723%0.22927%0.273CS..Hα-helixtrans-62.7-37.5175.2-62.984.5163.600111.3F890 R895 R896 D901 V902F890-E898 HydrophobicContact CD1-CB 4.42Å; R895-E898 VanDerWaalsContact C-OE2 3.22Å; R895-E898 WeakPolarHBondContact CA-OE2 3.15Å; R895-E898 HydrophobicContact CB-CB 4.34Å; R895-E898 HydrophobicContact CB-CG 4.39Å; R895-E898 WeakPolarHBondContact CB-OE2 3.29Å; R895-E898 VanDerWaalsContact CD-CD 3.42Å; R895-E898 WeakPolarHBondContact CD-OE1 3.49Å; R895-E898 IonicContact CZ-OE1 2.6Å; R895-E898 IonicContact NE-OE1 3.78Å; R895-E898 IonicContact NH1-OE1 3.19Å; R895-E898 PolarHBondContact NH1-OE1 3.48Å; R895-E898 PolarHBondContact O-N 2.89Å; R896-E898 VanDerWaalsContact C-N 3.32Å; E898-D901 PolarHBondContact O-N 3.48Å; E898-V902 WeakPolarHBondContact O-CB 3.35Å; E898-V902 VanDerWaalsContact O-CG2 3.26Å; E898-V902 WeakPolarHBondContact O-CG2 3.4Å; E898-V902 PolarHBondContact O-N 3.02Å
899A86.8Confident84.6Confident1 Ų155.9 Ų55.91%0.00825%0.254CS..Hα-helixtrans-62.5-44.1173.200000112.9V887 F890 R895 R896 K897 V902 C903V887-A899 HydrophobicContact CG1-CB 4.32Å; V887-A899 HydrophobicContact CG2-CB 4.3Å; F890-A899 HydrophobicContact CB-CB 4.01Å; R895-A899 PolarHBondContact O-N 3.13Å; R896-A899 WeakPolarHBondContact O-CB 3.49Å; R896-A899 PolarHBondContact O-N 2.94Å; K897-A899 VanDerWaalsContact C-N 3.3Å; K897-A899 PolarHBondContact O-N 3.29Å; A899-V902 PolarHBondContact O-N 2.9Å; A899-C903 PolarHBondContact O-N 2.86Å; A899-C903 VanDerWaalsContact O-N 3.09Å; A899-C903 PolarHBondContact O-SG 3.38Å
900I84.3Confident84Confident9 Ų964.1 Ų64.15%0.04629%0.285CS..Hα-helixtrans-65.2-45.2175.2-65.6170.7000110.3R896 K897 V902 C903 L904 L915R896-I900 PolarHBondContact O-N 2.85Å; K897-I900 PolarHBondContact O-N 2.86Å; I900-V902 VanDerWaalsContact C-N 3.3Å; I900-V902 PolarHBondContact O-N 3.3Å; I900-C903 WeakPolarHBondContact O-CB 3.26Å; I900-C903 PolarHBondContact O-N 2.84Å; I900-C903 VanDerWaalsContact O-N 3.12Å; I900-L904 HydrophobicContact CG2-CD1 4Å; I900-L904 HydrophobicContact CG2-CG 4.31Å; I900-L904 WeakPolarHBondContact O-CG 3.47Å; I900-L904 PolarHBondContact O-N 3.24Å; I900-L915 HydrophobicContact CG1-CB 3.99Å; I900-L915 HydrophobicContact CG1-CD1 4.42Å
901D85.9Confident83.5Confident56 Ų5666.1 Ų66.130%0.29930%0.298SS..Hα-helixtrans-63.4-36179.7-72.7-25.8000111.5K897 E898 L904 R905 R935K897-D901 WeakPolarHBondContact O-CB 3.49Å; K897-D901 PolarHBondContact O-N 3.25Å; E898-D901 PolarHBondContact O-N 3.48Å; D901-L904 PolarHBondContact O-N 3.15Å; D901-R905 VanDerWaalsContact O-CB 3.27Å; D901-R905 WeakPolarHBondContact O-CB 3.41Å; D901-R905 PolarHBondContact O-N 3.27Å; D901-R935 IonicContact OD1-NH2 2.73Å; D901-R935 PolarHBondContact OD1-NH2 2.99Å
902V85.9Confident83.2Confident4 Ų462.9 Ų62.92%0.02428%0.281CS..Hα-helixtrans-65.2-42.7172.3167.60000111.1A878 F890 E898 A899 I900 L904 R905 L906A878-V902 HydrophobicContact CB-CG1 3.82Å; A878-V902 HydrophobicContact CB-CG2 4.05Å; F890-V902 HydrophobicContact CE2-CG2 3.88Å; E898-V902 WeakPolarHBondContact O-CB 3.35Å; E898-V902 VanDerWaalsContact O-CG2 3.26Å; E898-V902 WeakPolarHBondContact O-CG2 3.4Å; E898-V902 PolarHBondContact O-N 3.02Å; A899-V902 PolarHBondContact O-N 2.9Å; I900-V902 VanDerWaalsContact C-N 3.3Å; I900-V902 PolarHBondContact O-N 3.3Å; V902-L904 VanDerWaalsContact C-N 3.35Å; V902-L904 PolarHBondContact O-N 3.09Å; V902-R905 PolarHBondContact O-N 2.87Å; V902-L906 HydrophobicContact CG1-CD1 3.67Å; V902-L906 HydrophobicContact CG1-CG 4.45Å; V902-L906 WeakPolarHBondContact O-CB 3.17Å; V902-L906 WeakPolarHBondContact O-CG 3.08Å; V902-L906 PolarHBondContact O-N 3.03Å
903C84.9Confident82.7Confident0 Ų063.2 Ų63.20%028%0.282CS..Hα-helixtrans-61.6-42.6175.4-64.40000111.8A899 I900 L906 N907 E908 A912A899-C903 PolarHBondContact O-N 2.86Å; A899-C903 VanDerWaalsContact O-N 3.09Å; A899-C903 PolarHBondContact O-SG 3.38Å; I900-C903 WeakPolarHBondContact O-CB 3.26Å; I900-C903 PolarHBondContact O-N 2.84Å; I900-C903 VanDerWaalsContact O-N 3.12Å; C903-L906 CarbonylContact O-C 3.55Å; C903-L906 PolarHBondContact O-N 3.09Å; C903-N907 PolarHBondContact O-N 2.96Å; C903-E908 PolarHBondContact O-N 3.08Å; C903-A912 HydrophobicContact CB-CB 4.04Å
904L83.2Confident82.4Confident20 Ų2067.2 Ų67.211%0.10530%0.299CS..Hα-helixtrans-65.4-42175.8-68.2173.2000111.8I900 D901 V902 L906 N907 W909 A912 I936 L939I900-L904 HydrophobicContact CG2-CD1 4Å; I900-L904 HydrophobicContact CG2-CG 4.31Å; I900-L904 WeakPolarHBondContact O-CG 3.47Å; I900-L904 PolarHBondContact O-N 3.24Å; D901-L904 PolarHBondContact O-N 3.15Å; V902-L904 VanDerWaalsContact C-N 3.35Å; V902-L904 PolarHBondContact O-N 3.09Å; L904-L906 VanDerWaalsContact C-N 3.27Å; L904-L906 PolarHBondContact O-N 3.33Å; L904-N907 PolarHBondContact O-N 3.24Å; L904-W909 HydrophobicContact CD2-CD2 4.33Å; L904-W909 HydrophobicContact CD2-CE3 3.74Å; L904-W909 HydrophobicContact CD2-CH2 4.29Å; L904-W909 HydrophobicContact CD2-CZ3 3.71Å; L904-A912 HydrophobicContact CD2-CB 3.79Å; L904-A912 HydrophobicContact CG-CB 4.14Å; L904-I936 HydrophobicContact CD2-CG1 4.34Å; L904-I936 HydrophobicContact CD2-CG2 4.29Å; L904-L939 HydrophobicContact CD1-CD1 4.46Å
905R82.2Confident82.1Confident162 Ų16263 Ų6361%0.61128%0.276SS*.Hα-helixtrans-65.3-32.3178.7-146.7-173.5-48.9155.96.4112.3D901 V902 N907D901-R905 VanDerWaalsContact O-CB 3.27Å; D901-R905 WeakPolarHBondContact O-CB 3.41Å; D901-R905 PolarHBondContact O-N 3.27Å; V902-R905 PolarHBondContact O-N 2.87Å; R905-N907 VanDerWaalsContact C-N 3.35Å
906L81.1Confident81.8Confident64 Ų6457.2 Ų57.234%0.33525%0.254SS..THydrogen-bonded Turntrans-94.514.1178.1-62.4172000112.7I883 V902 C903 L904 E908I883-L906 HydrophobicContact CD1-CB 3.79Å; I883-L906 HydrophobicContact CD1-CD1 3.91Å; I883-L906 HydrophobicContact CD1-CG 4.5Å; I883-L906 HydrophobicContact CG1-CB 4.3Å; I883-L906 HydrophobicContact CG1-CD1 3.46Å; I883-L906 VanDerWaalsContact CG1-CD1 3.46Å; V902-L906 HydrophobicContact CG1-CD1 3.67Å; V902-L906 HydrophobicContact CG1-CG 4.45Å; V902-L906 WeakPolarHBondContact O-CB 3.17Å; V902-L906 WeakPolarHBondContact O-CG 3.08Å; V902-L906 PolarHBondContact O-N 3.03Å; C903-L906 CarbonylContact O-C 3.55Å; C903-L906 PolarHBondContact O-N 3.09Å; L904-L906 VanDerWaalsContact C-N 3.27Å; L904-L906 PolarHBondContact O-N 3.33Å; L906-E908 PolarHBondContact O-N 3.36Å; L906-E908 VanDerWaalsContact O-N 3.15Å
907N75.7Confident81.2Confident80 Ų8056.4 Ų56.443%0.42825%0.254SS..THydrogen-bonded Turntrans56.623.2177.4-76.2-32.3000115.8C903 L904 R905 W909C903-N907 PolarHBondContact O-N 2.96Å; L904-N907 PolarHBondContact O-N 3.24Å; R905-N907 VanDerWaalsContact C-N 3.35Å; N907-W909 PolarHBondContact O-N 3.28Å; N907-W909 VanDerWaalsContact O-N 3.1Å; N907-W909 PolarHBondContact OD1-NE1 3.17Å
908E78.9Confident80.6Confident72 Ų7253.2 Ų53.234%0.33625%0.249SC..  trans-88.464.2171.8-74.4-59.9163.200110.8I883 C903 L906 R910 V911 A912I883-E908 HydrophobicContact CD1-CB 4.05Å; I883-E908 HydrophobicContact CD1-CG 3.27Å; C903-E908 PolarHBondContact O-N 3.08Å; L906-E908 PolarHBondContact O-N 3.36Å; L906-E908 VanDerWaalsContact O-N 3.15Å; E908-R910 PolarHBondContact O-N 3.11Å; E908-V911 HydrophobicContact CB-CB 4.27Å; E908-V911 HydrophobicContact CB-CG2 4.22Å; E908-V911 PolarHBondContact O-N 3.27Å; E908-V911 VanDerWaalsContact O-N 3.14Å; E908-A912 PolarHBondContact O-N 3.22Å
909W78.8Confident79.5Confident13 Ų1353.4 Ų53.45%0.04925%0.251CS..Hα-helixtrans-56.5-35-177.6-6488.2000112.4L904 N907 A912 Y913 I936 L939 L940 A963L904-W909 HydrophobicContact CD2-CD2 4.33Å; L904-W909 HydrophobicContact CD2-CE3 3.74Å; L904-W909 HydrophobicContact CD2-CH2 4.29Å; L904-W909 HydrophobicContact CD2-CZ3 3.71Å; N907-W909 PolarHBondContact O-N 3.28Å; N907-W909 VanDerWaalsContact O-N 3.1Å; N907-W909 PolarHBondContact OD1-NE1 3.17Å; W909-A912 WeakPolarHBondContact O-CB 3.35Å; W909-A912 PolarHBondContact O-N 2.92Å; W909-Y913 VanDerWaalsContact O-CD2 3.29Å; W909-Y913 WeakPolarHBondContact O-CD2 3.43Å; W909-Y913 PolarHBondContact O-N 3.11Å; W909-I936 HydrophobicContact CE3-CG2 3.65Å; W909-I936 HydrophobicContact CZ3-CG2 3.92Å; W909-L939 HydrophobicContact CH2-CB 3.92Å; W909-L939 HydrophobicContact CZ3-CB 4.04Å; W909-L940 HydrophobicContact CD2-CD1 4.01Å; W909-L940 HydrophobicContact CE3-CB 4.25Å; W909-L940 HydrophobicContact CE3-CD1 4.18Å; W909-L940 HydrophobicContact CG-CD1 4.43Å; W909-L940 HydrophobicContact CH2-CB 4.4Å; W909-L940 HydrophobicContact CZ2-CD1 4.44Å; W909-L940 HydrophobicContact CZ3-CB 3.99Å; W909-L940 HydrophobicContact CZ3-CD1 4.48Å; W909-A963 HydrophobicContact CB-CB 4.47Å
910R77.2Confident77.8Confident173 Ų17359 Ų5965%0.65328%0.281SS*.Hα-helixtrans-63.5-47.6177-176.4178.9173.1162.40.3112.3E908 A912 Y913 E914E908-R910 PolarHBondContact O-N 3.11Å; R910-A912 VanDerWaalsContact C-N 3.3Å; R910-A912 PolarHBondContact O-N 3.05Å; R910-Y913 PolarHBondContact O-N 2.8Å; R910-E914 IonicContact NE-OE1 3.35Å; R910-E914 PolarHBondContact NE-OE1 3.27Å; R910-E914 IonicContact NH2-OE1 2.78Å; R910-E914 WeakPolarHBondContact O-CG 3.43Å; R910-E914 PolarHBondContact O-N 2.86Å
911V80.9Confident76.2Confident46 Ų4663.9 Ų63.928%0.27932%0.316SS..Hα-helixtrans-66.4-36.5177.5-176.60000110.1E908 Y913 E914 L915E908-V911 HydrophobicContact CB-CB 4.27Å; E908-V911 HydrophobicContact CB-CG2 4.22Å; E908-V911 PolarHBondContact O-N 3.27Å; E908-V911 VanDerWaalsContact O-N 3.14Å; V911-Y913 PolarHBondContact O-N 3.4Å; V911-E914 PolarHBondContact O-N 3.14Å; V911-L915 HydrophobicContact CG1-CD1 3.98Å; V911-L915 HydrophobicContact CG1-CG 4.24Å; V911-L915 WeakPolarHBondContact O-CB 3.35Å; V911-L915 WeakPolarHBondContact O-CG 3.24Å; V911-L915 PolarHBondContact O-N 3.31Å
912A81.5Confident74.6Confident0 Ų069.9 Ų69.90%034%0.342CS..Hα-helixtrans-61-41.9172.500000112.1C903 L904 E908 W909 R910 A916 I936C903-A912 HydrophobicContact CB-CB 4.04Å; L904-A912 HydrophobicContact CD2-CB 3.79Å; L904-A912 HydrophobicContact CG-CB 4.14Å; E908-A912 PolarHBondContact O-N 3.22Å; W909-A912 WeakPolarHBondContact O-CB 3.35Å; W909-A912 PolarHBondContact O-N 2.92Å; R910-A912 VanDerWaalsContact C-N 3.3Å; R910-A912 PolarHBondContact O-N 3.05Å; A912-A916 WeakPolarHBondContact O-CB 3.34Å; A912-A916 PolarHBondContact O-N 2.88Å; A912-I936 HydrophobicContact CB-CD1 4.39Å
913Y78.6Confident72.8Confident41 Ų4176 Ų7616%0.16138%0.375CS..Hα-helixtrans-66.1-40.8173.6-92.8-73000112.8W909 R910 V911 A916 K917 E933 I936 D937W909-Y913 VanDerWaalsContact O-CD2 3.29Å; W909-Y913 WeakPolarHBondContact O-CD2 3.43Å; W909-Y913 PolarHBondContact O-N 3.11Å; R910-Y913 PolarHBondContact O-N 2.8Å; V911-Y913 PolarHBondContact O-N 3.4Å; Y913-A916 PolarHBondContact O-N 2.83Å; Y913-K917 WeakPolarHBondContact O-CB 3.42Å; Y913-K917 WeakPolarHBondContact O-CG 3.47Å; Y913-K917 PolarHBondContact O-N 3.29Å; Y913-E933 HydrophobicContact CD1-CG 4.26Å; Y913-E933 HydrophobicContact CE1-CB 4.37Å; Y913-E933 HydrophobicContact CE1-CG 4.19Å; Y913-I936 HydrophobicContact CD2-CG2 3.91Å; Y913-I936 HydrophobicContact CE1-CG2 4.34Å; Y913-I936 HydrophobicContact CE2-CB 4.34Å; Y913-I936 HydrophobicContact CE2-CG2 3.38Å; Y913-D937 PolarHBondContact OH-N 3.19Å; Y913-D937 PolarHBondContact OH-OD1 3.27Å
914E80Confident71Confident104 Ų10481 Ų8149%0.48642%0.416SS..Hα-helixtrans-65.9-43.4176.8-72.3174.4-168.500111.2R910 V911 K917 S918R910-E914 IonicContact NE-OE1 3.35Å; R910-E914 PolarHBondContact NE-OE1 3.27Å; R910-E914 IonicContact NH2-OE1 2.78Å; R910-E914 WeakPolarHBondContact O-CG 3.43Å; R910-E914 PolarHBondContact O-N 2.86Å; V911-E914 PolarHBondContact O-N 3.14Å; E914-K917 PolarHBondContact O-N 2.78Å; E914-S918 WeakPolarHBondContact O-CB 3.1Å; E914-S918 PolarHBondContact O-N 3.44Å; E914-S918 PolarHBondContact O-OG 3.08Å
915L79.8Confident69.4Low31 Ų3185 Ų8516%0.16244%0.437CS..Hα-helixtrans-64.1-41.9174.3-75.6171.2000111.8V887 I891 I900 V911 S918V887-L915 HydrophobicContact CG1-CD1 4.22Å; V887-L915 HydrophobicContact CG1-CD2 4.25Å; V887-L915 HydrophobicContact CG2-CD1 4.4Å; I891-L915 HydrophobicContact CD1-CD2 4.49Å; I900-L915 HydrophobicContact CG1-CB 3.99Å; I900-L915 HydrophobicContact CG1-CD1 4.42Å; V911-L915 HydrophobicContact CG1-CD1 3.98Å; V911-L915 HydrophobicContact CG1-CG 4.24Å; V911-L915 WeakPolarHBondContact O-CB 3.35Å; V911-L915 WeakPolarHBondContact O-CG 3.24Å; V911-L915 PolarHBondContact O-N 3.31Å; L915-S918 WeakPolarHBondContact CA-OG 3.48Å; L915-S918 PolarHBondContact O-N 2.67Å; L915-S918 PolarHBondContact O-OG 2.79Å
916A77.1Confident67.9Low0 Ų085.3 Ų85.30%045%0.445CS..Hα-helixtrans-63-42.9175.400000111.8A912 Y913 S918 I919 H929 Q932 I936A912-A916 WeakPolarHBondContact O-CB 3.34Å; A912-A916 PolarHBondContact O-N 2.88Å; Y913-A916 PolarHBondContact O-N 2.83Å; A916-S918 VanDerWaalsContact C-N 3.31Å; A916-S918 PolarHBondContact O-N 3.43Å; A916-I919 WeakPolarHBondContact O-CD1 3.27Å; A916-I919 WeakPolarHBondContact O-CG1 3.46Å; A916-I919 PolarHBondContact O-N 2.87Å; A916-H929 PolarHBondContact O-CE1 2.9Å; A916-H929 PolarHBondContact O-ND1 3.09Å; A916-Q932 HydrophobicContact CB-CB 4.44Å; A916-I936 HydrophobicContact CB-CD1 3.86Å
917K72.9Confident66.6Low123 Ų12389.5 Ų89.554%0.53546%0.463SS..Hα-helixtrans-66.4-31.2174.7-78.9-179.1178.7178.90113.1Y913 E914 I919 H929 E933Y913-K917 WeakPolarHBondContact O-CB 3.42Å; Y913-K917 WeakPolarHBondContact O-CG 3.47Å; Y913-K917 PolarHBondContact O-N 3.29Å; E914-K917 PolarHBondContact O-N 2.78Å; K917-I919 PolarHBondContact O-N 2.82Å; K917-H929 PolarHBondContact O-CE1 3.32Å; K917-E933 WeakPolarHBondContact CE-OE1 3.39Å; K917-E933 WeakPolarHBondContact CG-OE1 3.24Å
918S70.5Confident65.9Low70 Ų7090.3 Ų90.349%0.4946%0.464SS..THydrogen-bonded Turntrans-74.83.2-179.375.20000114.9E914 L915 A916 D920E914-S918 WeakPolarHBondContact O-CB 3.1Å; E914-S918 PolarHBondContact O-N 3.44Å; E914-S918 PolarHBondContact O-OG 3.08Å; L915-S918 WeakPolarHBondContact CA-OG 3.48Å; L915-S918 PolarHBondContact O-N 2.67Å; L915-S918 PolarHBondContact O-OG 2.79Å; A916-S918 VanDerWaalsContact C-N 3.31Å; A916-S918 PolarHBondContact O-N 3.43Å; S918-D920 PolarHBondContact O-N 2.71Å
919I63.6Low64.9Low53 Ų5388.5 Ų88.527%0.27246%0.456SS..  trans-68.533.7172.5-54.2167.4000110.2A916 K917 S921 H929A916-I919 WeakPolarHBondContact O-CD1 3.27Å; A916-I919 WeakPolarHBondContact O-CG1 3.46Å; A916-I919 PolarHBondContact O-N 2.87Å; K917-I919 PolarHBondContact O-N 2.82Å; I919-S921 PolarHBondContact O-N 3.21Å; I919-H929 VanDerWaalsContact C-CE1 3.4Å; I919-H929 WeakPolarHBondContact CB-CE1 3.08Å; I919-H929 WeakPolarHBondContact CB-NE2 3.24Å; I919-H929 PolarHBondContact O-CE1 3.1Å; I919-H929 PolarHBondContact O-NE2 3.27Å
920D50.8Low64.1Low117 Ų11793.9 Ų93.963%0.62648%0.481SS*.  trans-78.3127-175.5-92.8-25.5000112.2S918S918-D920 PolarHBondContact O-N 2.71Å
921S51.1Low63.8Low112 Ų11291.2 Ų91.278%0.78348%0.476SS*.SBendtrans90.6-5.3139.875.70000122.4I919I919-S921 PolarHBondContact O-N 3.21Å
922Q51.9Low63.3Low182 Ų18290.3 Ų90.385%0.8547%0.469SS*.SBendtrans-116.2-18.2176.7-69.2-168.8-5.800116.3
923D47.8Very low62.9Low134 Ų13493.1 Ų93.172%0.71748%0.482SS*.SBendtrans-101.8128.9174-68.5-38.3000110.2D925D923-D925 PolarHBondContact O-N 3.13Å
924A47Very low62.8Low103 Ų10397.4 Ų97.485%0.85150%0.502SS*.SBendtrans-67.211.4-171.400000115.3
925D50.8Low63Low104 Ų10497.8 Ų97.856%0.55650%0.498SS*.  trans-11077-174.2-72.2-29.1000111.7D923 H927 H928D923-D925 PolarHBondContact O-N 3.13Å; D925-H927 PolarHBondContact O-N 2.85Å; D925-H928 PolarHBondContact O-N 3.02Å; D925-H928 VanDerWaalsContact O-N 3.11Å
926H49.6Very low63Low169 Ų16996.3 Ų96.378%0.78249%0.491SS*.THydrogen-bonded Turntrans-54.4-18.5167.8-93.7-58.8000113.4
927H55.1Low63.1Low152 Ų15298.5 Ų98.570%0.70450%0.502SS*.Hα-helixtrans-68.6-28.4177.1-96.1-68.2000114D925 H929D925-H927 PolarHBondContact O-N 2.85Å; H927-H929 PolarHBondContact O-N 2.84Å
928H59.6Low63.7Low98 Ų9897.1 Ų97.145%0.45450%0.501SS..Hα-helixtrans-75.6-23.2-174.9-89.4-7.2000114.5D925 E931 Q932D925-H928 PolarHBondContact O-N 3.02Å; D925-H928 VanDerWaalsContact O-N 3.11Å; H928-E931 IonicContact CE1-OE2 3.13Å; H928-E931 IonicContact ND1-OE2 3.7Å; H928-E931 PolarHBondContact ND1-OE2 2.96Å; H928-Q932 WeakPolarHBondContact O-CG 3.29Å; H928-Q932 PolarHBondContact O-N 3.41Å; H928-Q932 VanDerWaalsContact O-N 3.09Å
929H58.5Low64.3Low34 Ų3496.7 Ų96.716%0.15749%0.493CS..Hα-helixtrans-65.2-55.8177.9-93.1-81.5000113.3A916 K917 I919 H927 E931 Q932 E933A916-H929 PolarHBondContact O-CE1 2.9Å; A916-H929 PolarHBondContact O-ND1 3.09Å; K917-H929 PolarHBondContact O-CE1 3.32Å; I919-H929 VanDerWaalsContact C-CE1 3.4Å; I919-H929 WeakPolarHBondContact CB-CE1 3.08Å; I919-H929 WeakPolarHBondContact CB-NE2 3.24Å; I919-H929 PolarHBondContact O-CE1 3.1Å; I919-H929 PolarHBondContact O-NE2 3.27Å; H927-H929 PolarHBondContact O-N 2.84Å; H929-E931 VanDerWaalsContact C-N 3.25Å; H929-E931 PolarHBondContact O-N 2.92Å; H929-Q932 PolarHBondContact O-N 3.44Å; H929-E933 PolarHBondContact O-N 3.35Å
930Q62.1Low65.2Low126 Ų12694.3 Ų94.359%0.58948%0.48SS*.Hα-helixtrans-67.6-29.3-178.3-76.1-175.1-3.300111.9K934Q930-K934 VanDerWaalsContact O-CB 3.24Å; Q930-K934 WeakPolarHBondContact O-CB 3.31Å; Q930-K934 VanDerWaalsContact O-CG 3.23Å; Q930-K934 WeakPolarHBondContact O-CG 3.45Å; Q930-K934 PolarHBondContact O-N 2.67Å
931E70.8Confident66.8Low116 Ų11694.3 Ų94.354%0.54248%0.475SS..Hα-helixtrans-67.3-43.4173-81.6-174.4146.100112.1H928 H929 R935H928-E931 IonicContact CE1-OE2 3.13Å; H928-E931 IonicContact ND1-OE2 3.7Å; H928-E931 PolarHBondContact ND1-OE2 2.96Å; H929-E931 VanDerWaalsContact C-N 3.25Å; H929-E931 PolarHBondContact O-N 2.92Å; E931-R935 WeakPolarHBondContact O-CB 3.3Å; E931-R935 PolarHBondContact O-N 3.47Å
932Q69.9Low68.3Low28 Ų2895.1 Ų95.113%0.13147%0.467CS..Hα-helixtrans-66.1-46176.9-76.4-76.80.800111.7A916 H928 H929 K934 R935 I936A916-Q932 HydrophobicContact CB-CB 4.44Å; H928-Q932 WeakPolarHBondContact O-CG 3.29Å; H928-Q932 PolarHBondContact O-N 3.41Å; H928-Q932 VanDerWaalsContact O-N 3.09Å; H929-Q932 PolarHBondContact O-N 3.44Å; Q932-K934 PolarHBondContact O-N 3.23Å; Q932-R935 WeakPolarHBondContact O-CB 3.38Å; Q932-R935 PolarHBondContact O-N 3.29Å; Q932-I936 VanDerWaalsContact O-CG1 3.27Å; Q932-I936 WeakPolarHBondContact O-CG1 3.48Å; Q932-I936 PolarHBondContact O-N 2.91Å
933E72.6Confident69.7Low59 Ų5987.9 Ų87.928%0.27644%0.436SS..Hα-helixtrans-61.7-43176.2-78-167.2148.500112.2Y913 K917 H929 R935 I936 D937Y913-E933 HydrophobicContact CD1-CG 4.26Å; Y913-E933 HydrophobicContact CE1-CB 4.37Å; Y913-E933 HydrophobicContact CE1-CG 4.19Å; K917-E933 WeakPolarHBondContact CE-OE1 3.39Å; K917-E933 WeakPolarHBondContact CG-OE1 3.24Å; H929-E933 PolarHBondContact O-N 3.35Å; E933-R935 VanDerWaalsContact C-N 3.33Å; E933-R935 PolarHBondContact O-N 3.08Å; E933-I936 PolarHBondContact O-N 2.87Å; E933-D937 PolarHBondContact O-N 3.48Å
934K78.3Confident71.4Confident131 Ų13181.5 Ų81.557%0.5740%0.402SS*.Hα-helixtrans-65-36.2174.6-77.7175.5179.7172.20112.3Q930 Q932 D937 N938Q930-K934 VanDerWaalsContact O-CB 3.24Å; Q930-K934 WeakPolarHBondContact O-CB 3.31Å; Q930-K934 VanDerWaalsContact O-CG 3.23Å; Q930-K934 WeakPolarHBondContact O-CG 3.45Å; Q930-K934 PolarHBondContact O-N 2.67Å; Q932-K934 PolarHBondContact O-N 3.23Å; K934-D937 PolarHBondContact O-N 2.98Å; K934-N938 VanDerWaalsContact O-CB 3.3Å; K934-N938 WeakPolarHBondContact O-CB 3.37Å; K934-N938 PolarHBondContact O-N 3.4Å; K934-N938 PolarHBondContact O-ND2 3.21Å
935R82.4Confident73.2Confident111 Ų11179.8 Ų79.842%0.41938%0.381SS..Hα-helixtrans-62.2-46.5174.5178.3-179.4169.2-154.7-9.6110D901 E931 Q932 E933 N938 L939D901-R935 IonicContact OD1-NH2 2.73Å; D901-R935 PolarHBondContact OD1-NH2 2.99Å; E931-R935 WeakPolarHBondContact O-CB 3.3Å; E931-R935 PolarHBondContact O-N 3.47Å; Q932-R935 WeakPolarHBondContact O-CB 3.38Å; Q932-R935 PolarHBondContact O-N 3.29Å; E933-R935 VanDerWaalsContact C-N 3.33Å; E933-R935 PolarHBondContact O-N 3.08Å; R935-N938 PolarHBondContact O-N 2.98Å; R935-L939 HydrophobicContact CG-CD1 3.96Å; R935-L939 WeakPolarHBondContact O-CB 3.44Å; R935-L939 WeakPolarHBondContact O-CG 2.98Å; R935-L939 PolarHBondContact O-N 3.1Å
936I80.3Confident74.6Confident0 Ų077.5 Ų77.50%037%0.372CS..Hα-helixtrans-63.4-46.2177.3-62168.5000110.7L904 W909 A912 Y913 A916 Q932 E933 N938 L939 L940L904-I936 HydrophobicContact CD2-CG1 4.34Å; L904-I936 HydrophobicContact CD2-CG2 4.29Å; W909-I936 HydrophobicContact CE3-CG2 3.65Å; W909-I936 HydrophobicContact CZ3-CG2 3.92Å; A912-I936 HydrophobicContact CB-CD1 4.39Å; Y913-I936 HydrophobicContact CD2-CG2 3.91Å; Y913-I936 HydrophobicContact CE1-CG2 4.34Å; Y913-I936 HydrophobicContact CE2-CB 4.34Å; Y913-I936 HydrophobicContact CE2-CG2 3.38Å; A916-I936 HydrophobicContact CB-CD1 3.86Å; Q932-I936 VanDerWaalsContact O-CG1 3.27Å; Q932-I936 WeakPolarHBondContact O-CG1 3.48Å; Q932-I936 PolarHBondContact O-N 2.91Å; E933-I936 PolarHBondContact O-N 2.87Å; I936-N938 PolarHBondContact O-N 2.99Å; I936-L939 PolarHBondContact O-N 3.16Å; I936-L940 WeakPolarHBondContact O-CB 3.47Å; I936-L940 PolarHBondContact O-N 3.4Å
937D80.5Confident76.2Confident46 Ų4671.6 Ų71.625%0.24634%0.344CS..Hα-helixtrans-62.7-40.4178.9-106.7-28.1000112.8Y913 E933 K934 K941 R965Y913-D937 PolarHBondContact OH-N 3.19Å; Y913-D937 PolarHBondContact OH-OD1 3.27Å; E933-D937 PolarHBondContact O-N 3.48Å; K934-D937 PolarHBondContact O-N 2.98Å; D937-K941 PolarHBondContact O-N 2.89Å; D937-R965 IonicContact OD1-CZ 3.3Å; D937-R965 IonicContact OD1-NH2 3.66Å; D937-R965 PolarHBondContact OD1-NH2 3.17Å
938N84.1Confident77.6Confident95 Ų9567.4 Ų67.451%0.50833%0.326SS..Hα-helixtrans-68.7-42176.8-79.3-19.3000111.6K934 R935 I936 L940 K941 Q942K934-N938 VanDerWaalsContact O-CB 3.3Å; K934-N938 WeakPolarHBondContact O-CB 3.37Å; K934-N938 PolarHBondContact O-N 3.4Å; K934-N938 PolarHBondContact O-ND2 3.21Å; R935-N938 PolarHBondContact O-N 2.98Å; I936-N938 PolarHBondContact O-N 2.99Å; N938-L940 VanDerWaalsContact C-N 3.32Å; N938-L940 PolarHBondContact O-N 3.07Å; N938-K941 PolarHBondContact O-N 2.89Å; N938-Q942 WeakPolarHBondContact O-CB 3.46Å; N938-Q942 VanDerWaalsContact O-CG 3.26Å; N938-Q942 WeakPolarHBondContact O-CG 3.4Å; N938-Q942 PolarHBondContact O-N 2.77Å
939L83Confident78.7Confident61 Ų6170.2 Ų70.232%0.31934%0.339SS..Hα-helixtrans-63.1-39175.5-73.1170.6000111.5L904 W909 R935 I936 S943L904-L939 HydrophobicContact CD1-CD1 4.46Å; W909-L939 HydrophobicContact CH2-CB 3.92Å; W909-L939 HydrophobicContact CZ3-CB 4.04Å; R935-L939 HydrophobicContact CG-CD1 3.96Å; R935-L939 WeakPolarHBondContact O-CB 3.44Å; R935-L939 WeakPolarHBondContact O-CG 2.98Å; R935-L939 PolarHBondContact O-N 3.1Å; I936-L939 PolarHBondContact O-N 3.16Å; L939-S943 WeakPolarHBondContact O-CB 3.44Å; L939-S943 PolarHBondContact O-N 2.89Å; L939-S943 PolarHBondContact O-OG 3.11Å
940L83.5Confident79.8Confident2 Ų274 Ų741%0.0136%0.358CS..Hα-helixtrans-63.1-48.9174.5-175.373.3000111.3W909 I936 N938 Q942 S943 V944 L959 A963W909-L940 HydrophobicContact CD2-CD1 4.01Å; W909-L940 HydrophobicContact CE3-CB 4.25Å; W909-L940 HydrophobicContact CE3-CD1 4.18Å; W909-L940 HydrophobicContact CG-CD1 4.43Å; W909-L940 HydrophobicContact CH2-CB 4.4Å; W909-L940 HydrophobicContact CZ2-CD1 4.44Å; W909-L940 HydrophobicContact CZ3-CB 3.99Å; W909-L940 HydrophobicContact CZ3-CD1 4.48Å; I936-L940 WeakPolarHBondContact O-CB 3.47Å; I936-L940 PolarHBondContact O-N 3.4Å; N938-L940 VanDerWaalsContact C-N 3.32Å; N938-L940 PolarHBondContact O-N 3.07Å; L940-Q942 PolarHBondContact O-N 3.3Å; L940-S943 WeakPolarHBondContact CA-OG 3.4Å; L940-S943 PolarHBondContact O-N 3.4Å; L940-S943 PolarHBondContact O-OG 3.06Å; L940-V944 WeakPolarHBondContact O-CG2 3.46Å; L940-V944 PolarHBondContact O-N 2.81Å; L940-L959 HydrophobicContact CD1-CD2 3.63Å; L940-L959 HydrophobicContact CD1-CG 3.93Å; L940-A963 HydrophobicContact CD1-CB 3.71Å; L940-A963 HydrophobicContact CD2-CB 3.47Å; L940-A963 VanDerWaalsContact CD2-CB 3.47Å; L940-A963 HydrophobicContact CG-CB 4.26Å
941K83.3Confident80.5Confident117 Ų11770.8 Ų70.851%0.50936%0.358SS..Hα-helixtrans-62.4-41.7177.9-76.1178.1-179.81730112.4D937 N938 V945D937-K941 PolarHBondContact O-N 2.89Å; N938-K941 PolarHBondContact O-N 2.89Å; K941-V945 WeakPolarHBondContact O-CB 3.48Å; K941-V945 VanDerWaalsContact O-CG2 3.25Å; K941-V945 WeakPolarHBondContact O-CG2 3.48Å; K941-V945 PolarHBondContact O-N 3.12Å
942Q83.5Confident81.1Confident130 Ų13070.5 Ų70.561%0.60735%0.351SS*.Hα-helixtrans-63.9-43.3177.8-76.1174.9-1100111.9N938 L940 V945 C946N938-Q942 WeakPolarHBondContact O-CB 3.46Å; N938-Q942 VanDerWaalsContact O-CG 3.26Å; N938-Q942 WeakPolarHBondContact O-CG 3.4Å; N938-Q942 PolarHBondContact O-N 2.77Å; L940-Q942 PolarHBondContact O-N 3.3Å; Q942-V945 PolarHBondContact O-N 3.45Å; Q942-C946 VanDerWaalsContact O-CB 3.27Å; Q942-C946 WeakPolarHBondContact O-CB 3.29Å; Q942-C946 PolarHBondContact O-N 2.89Å
943S80.9Confident81.9Confident29 Ų2970.4 Ų70.420%0.20335%0.352CS..Hα-helixtrans-66.6-42.2178.247.90000112.2L939 L940 C946 F947 L959L939-S943 WeakPolarHBondContact O-CB 3.44Å; L939-S943 PolarHBondContact O-N 2.89Å; L939-S943 PolarHBondContact O-OG 3.11Å; L940-S943 WeakPolarHBondContact CA-OG 3.4Å; L940-S943 PolarHBondContact O-N 3.4Å; L940-S943 PolarHBondContact O-OG 3.06Å; S943-C946 WeakPolarHBondContact O-CB 3.23Å; S943-C946 PolarHBondContact O-N 3.23Å; S943-F947 WeakPolarHBondContact O-CD2 3.04Å; S943-F947 PolarHBondContact O-N 2.85Å; S943-L959 WeakPolarHBondContact OG-CD2 3.44Å
944V83.5Confident82.5Confident0 Ų070.1 Ų70.10%035%0.351CS..Hα-helixtrans-63.8-46.5174.7177.10000111.4L940 C946 F947 I948 A956 L959 Y960L940-V944 WeakPolarHBondContact O-CG2 3.46Å; L940-V944 PolarHBondContact O-N 2.81Å; V944-C946 VanDerWaalsContact C-N 3.29Å; V944-C946 PolarHBondContact O-N 3.31Å; V944-F947 PolarHBondContact O-N 2.95Å; V944-F947 VanDerWaalsContact O-N 3.16Å; V944-I948 HydrophobicContact CG1-CD1 3.62Å; V944-I948 HydrophobicContact CG1-CG1 4.27Å; V944-I948 WeakPolarHBondContact O-CG1 3.26Å; V944-I948 PolarHBondContact O-N 3.16Å; V944-A956 HydrophobicContact CG1-CB 3.83Å; V944-L959 HydrophobicContact CG2-CB 4.36Å; V944-L959 HydrophobicContact CG2-CD2 3.58Å; V944-Y960 HydrophobicContact CB-CE1 4.28Å; V944-Y960 HydrophobicContact CB-CE2 4.13Å; V944-Y960 HydrophobicContact CG1-CD2 3.9Å; V944-Y960 HydrophobicContact CG1-CE1 4.22Å; V944-Y960 HydrophobicContact CG1-CE2 3.21Å; V944-Y960 WeakPolarHBondContact CG1-OH 3.21Å; V944-Y960 HydrophobicContact CG2-CD1 3.93Å; V944-Y960 HydrophobicContact CG2-CD2 4.24Å; V944-Y960 HydrophobicContact CG2-CE1 3.67Å; V944-Y960 HydrophobicContact CG2-CE2 4.02Å; V944-Y960 HydrophobicContact CG2-CG 4.19Å
945V85.6Confident82.7Confident68 Ų6866.7 Ų66.741%0.41234%0.338SS..Hα-helixtrans-59.6-43.1178170.20000110.8K941 Q942 F947 I948 E949K941-V945 WeakPolarHBondContact O-CB 3.48Å; K941-V945 VanDerWaalsContact O-CG2 3.25Å; K941-V945 WeakPolarHBondContact O-CG2 3.48Å; K941-V945 PolarHBondContact O-N 3.12Å; Q942-V945 PolarHBondContact O-N 3.45Å; V945-F947 VanDerWaalsContact C-N 3.35Å; V945-F947 PolarHBondContact O-N 3.46Å; V945-I948 PolarHBondContact O-N 2.83Å; V945-E949 HydrophobicContact CG1-CG 4.21Å; V945-E949 WeakPolarHBondContact O-CB 3.2Å; V945-E949 WeakPolarHBondContact O-CG 3.19Å; V945-E949 PolarHBondContact O-N 2.88Å
946C80.5Confident82.9Confident55 Ų5561.4 Ų61.437%0.37232%0.318SS..Hα-helixtrans-58.5-44.6175.5-173.20000112Q942 S943 V944 E949 Q950Q942-C946 VanDerWaalsContact O-CB 3.27Å; Q942-C946 WeakPolarHBondContact O-CB 3.29Å; Q942-C946 PolarHBondContact O-N 2.89Å; S943-C946 WeakPolarHBondContact O-CB 3.23Å; S943-C946 PolarHBondContact O-N 3.23Å; V944-C946 VanDerWaalsContact C-N 3.29Å; V944-C946 PolarHBondContact O-N 3.31Å; C946-E949 PolarHBondContact O-N 2.99Å; C946-Q950 WeakPolarHBondContact O-CB 3.47Å; C946-Q950 VanDerWaalsContact O-CG 3.26Å; C946-Q950 WeakPolarHBondContact O-CG 3.41Å; C946-Q950 PolarHBondContact O-N 2.89Å; C946-Q950 PolarHBondContact SG-NE2 3.1Å
947F82.8Confident83.2Confident45 Ų4561.7 Ų61.720%0.19732%0.319CS..Hα-helixtrans-63.8-41.2175.3-77.3-53.3000112.5S943 V944 V945 Q950 G951 R952 E955 A956 L959S943-F947 WeakPolarHBondContact O-CD2 3.04Å; S943-F947 PolarHBondContact O-N 2.85Å; V944-F947 PolarHBondContact O-N 2.95Å; V944-F947 VanDerWaalsContact O-N 3.16Å; V945-F947 VanDerWaalsContact C-N 3.35Å; V945-F947 PolarHBondContact O-N 3.46Å; F947-Q950 PolarHBondContact O-N 2.89Å; F947-G951 PolarHBondContact O-N 3.4Å; F947-R952 HydrophobicContact CB-CB 4.26Å; F947-R952 HydrophobicContact CD1-CB 3.94Å; F947-R952 CarbonylContact O-C 3.56Å; F947-R952 WeakPolarHBondContact O-CA 3.48Å; F947-R952 WeakPolarHBondContact O-CB 3.17Å; F947-R952 PolarHBondContact O-N 3.45Å; F947-E955 HydrophobicContact CD1-CB 3.99Å; F947-E955 HydrophobicContact CD2-CB 4.49Å; F947-E955 HydrophobicContact CE1-CB 4.11Å; F947-E955 HydrophobicContact CG-CB 4.21Å; F947-E955 HydrophobicContact CZ-CB 4.42Å; F947-A956 HydrophobicContact CB-CB 3.85Å; F947-L959 HydrophobicContact CE2-CD1 4.41Å
948I83.4Confident83.3Confident65 Ų6562.6 Ų62.633%0.33332%0.322SS..Hα-helixtrans-64.5-43.4177-65.7164.1000111V944 V945 Q950 G951 A956 L972V944-I948 HydrophobicContact CG1-CD1 3.62Å; V944-I948 HydrophobicContact CG1-CG1 4.27Å; V944-I948 WeakPolarHBondContact O-CG1 3.26Å; V944-I948 PolarHBondContact O-N 3.16Å; V945-I948 PolarHBondContact O-N 2.83Å; I948-Q950 VanDerWaalsContact C-N 3.29Å; I948-Q950 PolarHBondContact O-N 3.48Å; I948-G951 PolarHBondContact O-N 2.96Å; I948-A956 HydrophobicContact CG1-CB 3.93Å; I948-L972 HydrophobicContact CD1-CD1 3.51Å; I948-L972 HydrophobicContact CD1-CD2 4.27Å; I948-L972 HydrophobicContact CG1-CD1 4.09Å; I948-L972 HydrophobicContact CG1-CD2 4.21Å
949E83.3Confident83.3Confident156 Ų15658.5 Ų58.573%0.72930%0.3SS*.Hα-helixtrans-64.2-33177.8-74.5177.4172.900112.3V945 C946 G951V945-E949 HydrophobicContact CG1-CG 4.21Å; V945-E949 WeakPolarHBondContact O-CB 3.2Å; V945-E949 WeakPolarHBondContact O-CG 3.19Å; V945-E949 PolarHBondContact O-N 2.88Å; C946-E949 PolarHBondContact O-N 2.99Å; E949-G951 PolarHBondContact O-N 3.37Å
950Q80.8Confident83.5Confident115 Ų11557.2 Ų57.254%0.53729%0.291SS..THydrogen-bonded Turntrans-77.9-0.6173.8-69.7175.18.400113.9C946 F947 I948 R952C946-Q950 WeakPolarHBondContact O-CB 3.47Å; C946-Q950 VanDerWaalsContact O-CG 3.26Å; C946-Q950 WeakPolarHBondContact O-CG 3.41Å; C946-Q950 PolarHBondContact O-N 2.89Å; C946-Q950 PolarHBondContact SG-NE2 3.1Å; F947-Q950 PolarHBondContact O-N 2.89Å; I948-Q950 VanDerWaalsContact C-N 3.29Å; I948-Q950 PolarHBondContact O-N 3.48Å; Q950-R952 HydrophobicContact CB-CB 4.45Å; Q950-R952 HydrophobicContact CB-CG 4.18Å; Q950-R952 PolarHBondContact O-N 2.92Å
951G78.3Confident83.6Confident57 Ų5758.6 Ų58.659%0.58830%0.297SS*.THydrogen-bonded Turntrans74.67.8-174.200000114.4F947 I948 E949 I953F947-G951 PolarHBondContact O-N 3.4Å; I948-G951 PolarHBondContact O-N 2.96Å; E949-G951 PolarHBondContact O-N 3.37Å; G951-I953 VanDerWaalsContact C-N 3.29Å; G951-I953 PolarHBondContact O-N 2.72Å; G951-I953 VanDerWaalsContact O-N 3.13Å
952R83.4Confident83.5Confident110 Ų11056.9 Ų56.942%0.41529%0.291SS..  trans-87.959.1-178.7-71.3-171.276.6-1764.1111.3F947 Q950 I954 E955 A956F947-R952 HydrophobicContact CB-CB 4.26Å; F947-R952 HydrophobicContact CD1-CB 3.94Å; F947-R952 CarbonylContact O-C 3.56Å; F947-R952 WeakPolarHBondContact O-CA 3.48Å; F947-R952 WeakPolarHBondContact O-CB 3.17Å; F947-R952 PolarHBondContact O-N 3.45Å; Q950-R952 HydrophobicContact CB-CB 4.45Å; Q950-R952 HydrophobicContact CB-CG 4.18Å; Q950-R952 PolarHBondContact O-N 2.92Å; R952-I954 VanDerWaalsContact C-N 3.32Å; R952-I954 PolarHBondContact O-N 2.91Å; R952-E955 VanDerWaalsContact C-OE2 3.28Å; R952-E955 VanDerWaalsContact CA-OE2 3.27Å; R952-E955 WeakPolarHBondContact CA-OE2 3.34Å; R952-E955 WeakPolarHBondContact CB-OE2 3.38Å; R952-E955 IonicContact CZ-OE1 3.9Å; R952-E955 IonicContact NE-OE1 3.35Å; R952-E955 PolarHBondContact NE-OE1 3.31Å; R952-E955 IonicContact NE-OE2 3.54Å; R952-E955 IonicContact NH2-OE1 3.59Å; R952-E955 PolarHBondContact NH2-OE1 2.97Å; R952-E955 PolarHBondContact O-N 2.83Å; R952-A956 PolarHBondContact O-N 3.38Å
953I85.9Confident83.3Confident27 Ų2751.9 Ų51.914%0.13827%0.272CS..Hα-helixtrans-67-34.5-171.5-67174.8000111.6G951 A956 V957 L972 E976G951-I953 VanDerWaalsContact C-N 3.29Å; G951-I953 PolarHBondContact O-N 2.72Å; G951-I953 VanDerWaalsContact O-N 3.13Å; I953-A956 WeakPolarHBondContact O-CB 3.44Å; I953-A956 PolarHBondContact O-N 3.06Å; I953-V957 VanDerWaalsContact O-CG2 3.25Å; I953-V957 WeakPolarHBondContact O-CG2 3.12Å; I953-V957 PolarHBondContact O-N 3.29Å; I953-L972 HydrophobicContact CG2-CD2 3.7Å; I953-L972 HydrophobicContact CG2-CG 4.1Å; I953-E976 HydrophobicContact CD1-CB 4.32Å; I953-E976 HydrophobicContact CD1-CG 3.8Å; I953-E976 WeakPolarHBondContact CD1-OE2 3.04Å; I953-E976 HydrophobicContact CG2-CB 4.29Å; I953-E976 HydrophobicContact CG2-CG 4.35Å
954I84.8Confident83.3Confident52 Ų5251.5 Ų51.527%0.26727%0.273SS..Hα-helixtrans-68.6-42.5-178.7-60-177.4000110.5R952 A956 V957 E958 L1037R952-I954 VanDerWaalsContact C-N 3.32Å; R952-I954 PolarHBondContact O-N 2.91Å; I954-A956 VanDerWaalsContact C-N 3.27Å; I954-A956 PolarHBondContact O-N 3.09Å; I954-V957 WeakPolarHBondContact O-CB 3.48Å; I954-V957 PolarHBondContact O-N 3.02Å; I954-V957 VanDerWaalsContact O-N 3.15Å; I954-E958 PolarHBondContact O-N 2.91Å; I954-L1037 HydrophobicContact CD1-CD1 3.78Å; I954-L1037 HydrophobicContact CD1-CD2 3.64Å; I954-L1037 HydrophobicContact CD1-CG 4.29Å; I954-L1037 HydrophobicContact CG2-CD1 3.62Å
955E83.1Confident83.4Confident60 Ų6055.7 Ų55.728%0.2829%0.288SS..Hα-helixtrans-64.3-34.7175.4-63.395.5150.800111.8F947 R952 E958 L959F947-E955 HydrophobicContact CD1-CB 3.99Å; F947-E955 HydrophobicContact CD2-CB 4.49Å; F947-E955 HydrophobicContact CE1-CB 4.11Å; F947-E955 HydrophobicContact CG-CB 4.21Å; F947-E955 HydrophobicContact CZ-CB 4.42Å; R952-E955 VanDerWaalsContact C-OE2 3.28Å; R952-E955 VanDerWaalsContact CA-OE2 3.27Å; R952-E955 WeakPolarHBondContact CA-OE2 3.34Å; R952-E955 WeakPolarHBondContact CB-OE2 3.38Å; R952-E955 IonicContact CZ-OE1 3.9Å; R952-E955 IonicContact NE-OE1 3.35Å; R952-E955 PolarHBondContact NE-OE1 3.31Å; R952-E955 IonicContact NE-OE2 3.54Å; R952-E955 IonicContact NH2-OE1 3.59Å; R952-E955 PolarHBondContact NH2-OE1 2.97Å; R952-E955 PolarHBondContact O-N 2.83Å; E955-E958 PolarHBondContact O-N 3.03Å; E955-L959 WeakPolarHBondContact O-CB 3.18Å; E955-L959 PolarHBondContact O-N 3.2Å
956A85.5Confident83.5Confident0 Ų053.9 Ų53.90%028%0.275CS..Hα-helixtrans-62.9-42.3172.400000112.5V944 F947 I948 R952 I953 I954 L959 Y960 L972V944-A956 HydrophobicContact CG1-CB 3.83Å; F947-A956 HydrophobicContact CB-CB 3.85Å; I948-A956 HydrophobicContact CG1-CB 3.93Å; R952-A956 PolarHBondContact O-N 3.38Å; I953-A956 WeakPolarHBondContact O-CB 3.44Å; I953-A956 PolarHBondContact O-N 3.06Å; I954-A956 VanDerWaalsContact C-N 3.27Å; I954-A956 PolarHBondContact O-N 3.09Å; A956-L959 PolarHBondContact O-N 2.94Å; A956-Y960 PolarHBondContact O-N 3.11Å; A956-L972 HydrophobicContact CB-CD2 3.83Å
957V86.8Confident83.8Confident6 Ų653.4 Ų53.44%0.03627%0.268CS..Hα-helixtrans-62.1-44.5175.2173.10000110.5I953 I954 Y960 K961 A969 L972 L973 L1001I953-V957 VanDerWaalsContact O-CG2 3.25Å; I953-V957 WeakPolarHBondContact O-CG2 3.12Å; I953-V957 PolarHBondContact O-N 3.29Å; I954-V957 WeakPolarHBondContact O-CB 3.48Å; I954-V957 PolarHBondContact O-N 3.02Å; I954-V957 VanDerWaalsContact O-N 3.15Å; V957-Y960 PolarHBondContact O-N 2.86Å; V957-K961 WeakPolarHBondContact O-CB 3.2Å; V957-K961 PolarHBondContact O-N 2.83Å; V957-A969 HydrophobicContact CG1-CB 3.94Å; V957-L972 HydrophobicContact CG2-CB 4.38Å; V957-L972 HydrophobicContact CG2-CD2 3.8Å; V957-L973 HydrophobicContact CB-CD1 4.46Å; V957-L973 HydrophobicContact CG1-CD1 3.6Å; V957-L973 HydrophobicContact CG1-CG 4.31Å; V957-L973 HydrophobicContact CG2-CD1 4.02Å; V957-L973 HydrophobicContact CG2-CG 3.8Å; V957-L1001 HydrophobicContact CG1-CD1 3.86Å
958E84.1Confident84Confident64 Ų6454.2 Ų54.230%0.29928%0.275SS..Hα-helixtrans-66.1-41-179.5-170.1160.1-144.600111.4I954 E955 Y960 K961 H962 L1033I954-E958 PolarHBondContact O-N 2.91Å; E955-E958 PolarHBondContact O-N 3.03Å; E958-Y960 PolarHBondContact O-N 3.44Å; E958-K961 WeakPolarHBondContact O-CB 3.39Å; E958-K961 PolarHBondContact O-N 3.27Å; E958-H962 PolarHBondContact O-CD2 2.82Å; E958-H962 VanDerWaalsContact O-CD2 3.27Å; E958-H962 PolarHBondContact O-N 3.28Å; E958-L1033 HydrophobicContact CB-CD2 4.49Å; E958-L1033 HydrophobicContact CG-CD2 4.41Å
959L84.2Confident84.2Confident10 Ų1051.1 Ų51.15%0.05226%0.259CS..Hα-helixtrans-61.4-44.5174.2-157.488.4000111.9L940 S943 V944 F947 E955 A956 K961 H962 A963L940-L959 HydrophobicContact CD1-CD2 3.63Å; L940-L959 HydrophobicContact CD1-CG 3.93Å; S943-L959 WeakPolarHBondContact OG-CD2 3.44Å; V944-L959 HydrophobicContact CG2-CB 4.36Å; V944-L959 HydrophobicContact CG2-CD2 3.58Å; F947-L959 HydrophobicContact CE2-CD1 4.41Å; E955-L959 WeakPolarHBondContact O-CB 3.18Å; E955-L959 PolarHBondContact O-N 3.2Å; A956-L959 PolarHBondContact O-N 2.94Å; L959-K961 VanDerWaalsContact C-N 3.33Å; L959-K961 PolarHBondContact O-N 2.93Å; L959-H962 PolarHBondContact O-N 3.36Å; L959-A963 WeakPolarHBondContact O-CB 3.28Å; L959-A963 PolarHBondContact O-N 3.01Å
960Y87Confident84.5Confident33 Ų3343.7 Ų43.713%0.12923%0.225CC..Hα-helixtrans-62.7-39.5174.1-84.2-41.2000112.4V944 A956 V957 E958 A963 G964 R965 D968V944-Y960 HydrophobicContact CB-CE1 4.28Å; V944-Y960 HydrophobicContact CB-CE2 4.13Å; V944-Y960 HydrophobicContact CG1-CD2 3.9Å; V944-Y960 HydrophobicContact CG1-CE1 4.22Å; V944-Y960 HydrophobicContact CG1-CE2 3.21Å; V944-Y960 WeakPolarHBondContact CG1-OH 3.21Å; V944-Y960 HydrophobicContact CG2-CD1 3.93Å; V944-Y960 HydrophobicContact CG2-CD2 4.24Å; V944-Y960 HydrophobicContact CG2-CE1 3.67Å; V944-Y960 HydrophobicContact CG2-CE2 4.02Å; V944-Y960 HydrophobicContact CG2-CG 4.19Å; A956-Y960 PolarHBondContact O-N 3.11Å; V957-Y960 PolarHBondContact O-N 2.86Å; E958-Y960 PolarHBondContact O-N 3.44Å; Y960-A963 CarbonylContact O-C 3.49Å; Y960-A963 PolarHBondContact O-N 3.35Å; Y960-G964 PolarHBondContact O-N 2.82Å; Y960-G964 VanDerWaalsContact O-N 3.11Å; Y960-R965 HydrophobicContact CD1-CB 3.95Å; Y960-R965 HydrophobicContact CD1-CG 4.32Å; Y960-R965 HydrophobicContact CG-CB 4.38Å; Y960-R965 PolarHBondContact O-N 3.24Å; Y960-D968 HydrophobicContact CD2-CB 4.18Å; Y960-D968 HydrophobicContact CE2-CB 4.19Å; Y960-D968 HydrophobicContact CG-CB 4.37Å
961K84.9Confident84.8Confident31 Ų3140.4 Ų40.414%0.13521%0.209CC..Hα-helixtrans-61.7-46.5175.2-174.4-171.5174.6-1750111.3V957 E958 L959 A963 G964 F966 L1001 A1029V957-K961 WeakPolarHBondContact O-CB 3.2Å; V957-K961 PolarHBondContact O-N 2.83Å; E958-K961 WeakPolarHBondContact O-CB 3.39Å; E958-K961 PolarHBondContact O-N 3.27Å; L959-K961 VanDerWaalsContact C-N 3.33Å; L959-K961 PolarHBondContact O-N 2.93Å; K961-A963 VanDerWaalsContact C-N 3.28Å; K961-A963 PolarHBondContact O-N 3.4Å; K961-G964 PolarHBondContact O-N 3.13Å; K961-F966 HydrophobicContact CG-CD1 4.07Å; K961-F966 HydrophobicContact CG-CE1 3.81Å; K961-L1001 HydrophobicContact CB-CD2 4.44Å; K961-L1001 HydrophobicContact CD-CD2 4.3Å; K961-L1001 HydrophobicContact CG-CD2 4.22Å; K961-A1029 PolarHBondContact NZ-O 2.68Å
962H80.5Confident85.3Confident82 Ų8239.2 Ų39.238%0.3819%0.189SC..Hα-helixtrans-64.3-30.9176.4-84.9-78.8000113E958 L959 G964E958-H962 PolarHBondContact O-CD2 2.82Å; E958-H962 VanDerWaalsContact O-CD2 3.27Å; E958-H962 PolarHBondContact O-N 3.28Å; L959-H962 PolarHBondContact O-N 3.36Å; H962-G964 VanDerWaalsContact C-N 3.28Å
963A79.5Confident85.6Confident24 Ų2434.1 Ų34.120%0.19817%0.17CC..THydrogen-bonded Turntrans-80-3.5172.100000114.1W909 L940 L959 Y960 K961W909-A963 HydrophobicContact CB-CB 4.47Å; L940-A963 HydrophobicContact CD1-CB 3.71Å; L940-A963 HydrophobicContact CD2-CB 3.47Å; L940-A963 VanDerWaalsContact CD2-CB 3.47Å; L940-A963 HydrophobicContact CG-CB 4.26Å; L959-A963 WeakPolarHBondContact O-CB 3.28Å; L959-A963 PolarHBondContact O-N 3.01Å; Y960-A963 CarbonylContact O-C 3.49Å; Y960-A963 PolarHBondContact O-N 3.35Å; K961-A963 VanDerWaalsContact C-N 3.28Å; K961-A963 PolarHBondContact O-N 3.4Å
964G81.9Confident85.7Confident22 Ų2234.9 Ų34.923%0.22717%0.171CC..THydrogen-bonded Turntrans7624.2-179.900000115.2Y960 K961 H962 Q1008Y960-G964 PolarHBondContact O-N 2.82Å; Y960-G964 VanDerWaalsContact O-N 3.11Å; K961-G964 PolarHBondContact O-N 3.13Å; H962-G964 VanDerWaalsContact C-N 3.28Å; G964-Q1008 PolarHBondContact O-NE2 3.03Å; G964-Q1008 PolarHBondContact O-OE1 3.23Å
965R85.2Confident85.8Confident88 Ų8837.6 Ų37.633%0.33218%0.182SC..  trans-102.863.1179.1-65.7-86.7-138.7-102-13.1111.1D937 Y960 L967 D968 A969D937-R965 IonicContact OD1-CZ 3.3Å; D937-R965 IonicContact OD1-NH2 3.66Å; D937-R965 PolarHBondContact OD1-NH2 3.17Å; Y960-R965 HydrophobicContact CD1-CB 3.95Å; Y960-R965 HydrophobicContact CD1-CG 4.32Å; Y960-R965 HydrophobicContact CG-CB 4.38Å; Y960-R965 PolarHBondContact O-N 3.24Å; R965-L967 PolarHBondContact O-N 2.6Å; R965-D968 HydrophobicContact CB-CB 4.39Å; R965-D968 IonicContact NE-OD2 2.82Å; R965-D968 PolarHBondContact O-N 2.85Å; R965-A969 PolarHBondContact O-N 2.94Å
966F87.5Confident86Confident30 Ų3036.8 Ų36.813%0.13218%0.178CC..Hα-helixtrans-66.3-34.8-170.3-52.7-63.6000114.8K961 A969 A970 L1001 Q1004 Q1008K961-F966 HydrophobicContact CG-CD1 4.07Å; K961-F966 HydrophobicContact CG-CE1 3.81Å; F966-A969 WeakPolarHBondContact O-CB 3.14Å; F966-A969 PolarHBondContact O-N 2.81Å; F966-A970 PolarHBondContact O-N 2.79Å; F966-L1001 HydrophobicContact CD1-CD2 4.25Å; F966-Q1004 HydrophobicContact CD1-CB 4.01Å; F966-Q1004 HydrophobicContact CD2-CB 4.08Å; F966-Q1004 HydrophobicContact CE1-CB 4.22Å; F966-Q1004 HydrophobicContact CE2-CB 4.29Å; F966-Q1004 HydrophobicContact CG-CB 3.96Å; F966-Q1004 HydrophobicContact CZ-CB 4.37Å; F966-Q1008 HydrophobicContact CD2-CB 4.36Å; F966-Q1008 HydrophobicContact CE2-CB 4.2Å; F966-Q1008 HydrophobicContact CE2-CG 4.41Å; F966-Q1008 VanDerWaalsContact CE2-OE1 3.24Å
967L87.1Confident86Confident44 Ų4436.8 Ų36.823%0.2318%0.178CC..Hα-helixtrans-65.2-43.7178.7-165.197.5000111.6R965 A969 A970 E971 M1002 Y1005 M1081R965-L967 PolarHBondContact O-N 2.6Å; L967-A969 VanDerWaalsContact C-N 3.3Å; L967-A969 PolarHBondContact O-N 3.02Å; L967-A970 PolarHBondContact O-N 2.82Å; L967-E971 PolarHBondContact O-N 3.07Å; L967-M1002 HydrophobicContact CD1-CE 4.34Å; L967-M1002 HydrophobicContact CD1-SD 4.3Å; L967-Y1005 HydrophobicContact CB-CD2 3.99Å; L967-Y1005 HydrophobicContact CB-CE2 4.02Å; L967-Y1005 HydrophobicContact CD1-CD1 3.95Å; L967-Y1005 HydrophobicContact CD1-CD2 4.22Å; L967-Y1005 HydrophobicContact CD1-CE1 3.7Å; L967-Y1005 HydrophobicContact CD1-CE2 3.98Å; L967-Y1005 HydrophobicContact CD1-CG 4.19Å; L967-M1081 HydrophobicContact CD2-CE 3.94Å; L967-M1081 HydrophobicContact CG-CE 4.29Å
968D86.9Confident85.9Confident62 Ų6239.8 Ų39.833%0.33219%0.191SC..Hα-helixtrans-63.2-39.8177.9-63.5-29.5000110.7Y960 R965 L972Y960-D968 HydrophobicContact CD2-CB 4.18Å; Y960-D968 HydrophobicContact CE2-CB 4.19Å; Y960-D968 HydrophobicContact CG-CB 4.37Å; R965-D968 HydrophobicContact CB-CB 4.39Å; R965-D968 IonicContact NE-OD2 2.82Å; R965-D968 PolarHBondContact O-N 2.85Å; D968-L972 WeakPolarHBondContact O-CB 3.22Å; D968-L972 PolarHBondContact O-N 3.35Å; D968-L972 VanDerWaalsContact O-N 3.08Å
969A88.8Confident85.9Confident0 Ų043.1 Ų43.10%021%0.205CC..Hα-helixtrans-62.8-43.6175.300000112.2V957 R965 F966 L967 L972 L973 L1001V957-A969 HydrophobicContact CG1-CB 3.94Å; R965-A969 PolarHBondContact O-N 2.94Å; F966-A969 WeakPolarHBondContact O-CB 3.14Å; F966-A969 PolarHBondContact O-N 2.81Å; L967-A969 VanDerWaalsContact C-N 3.3Å; L967-A969 PolarHBondContact O-N 3.02Å; A969-L972 PolarHBondContact O-N 3.31Å; A969-L973 PolarHBondContact O-N 3.41Å; A969-L1001 HydrophobicContact CB-CD1 3.91Å; A969-L1001 HydrophobicContact CB-CD2 4.15Å
970A89.1Confident85.8Confident1 Ų143 Ų431%0.00820%0.204CC..Hα-helixtrans-67.9-40178.300000112.4F966 L967 L972 L973 Y974 L1001 M1002F966-A970 PolarHBondContact O-N 2.79Å; L967-A970 PolarHBondContact O-N 2.82Å; A970-L972 VanDerWaalsContact C-N 3.34Å; A970-L972 PolarHBondContact O-N 3.24Å; A970-L973 PolarHBondContact O-N 3.19Å; A970-Y974 PolarHBondContact O-N 3.41Å; A970-L1001 HydrophobicContact CB-CB 4.02Å; A970-L1001 HydrophobicContact CB-CD1 4.41Å; A970-M1002 HydrophobicContact CB-CG 4.24Å; A970-M1002 HydrophobicContact CB-SD 3.92Å
971E87.5Confident85.3Confident46 Ų4644.7 Ų44.722%0.21521%0.212CC..Hα-helixtrans-63.9-40.4176.5-166.5-170.8158.900111.4L967 Y974 K975 M1081L967-E971 PolarHBondContact O-N 3.07Å; E971-Y974 PolarHBondContact O-N 3.16Å; E971-K975 WeakPolarHBondContact O-CG 3.08Å; E971-K975 PolarHBondContact O-N 2.92Å; E971-K975 WeakPolarHBondContact OE1-CE 3.29Å; E971-K975 IonicContact OE1-NZ 3.52Å; E971-K975 PolarHBondContact OE1-NZ 2.69Å; E971-M1081 HydrophobicContact CB-CE 3.99Å; E971-M1081 HydrophobicContact CG-CE 3.84Å; E971-M1081 VanDerWaalsContact OE2-CE 3.24Å; E971-M1081 WeakPolarHBondContact OE2-CE 3.13Å
972L88.8Confident84.7Confident31 Ų3151.2 Ų51.216%0.16224%0.243CC..Hα-helixtrans-62-48.4177.8-161.585.4000111.4I948 I953 A956 V957 D968 A969 A970 Y974 K975 E976I948-L972 HydrophobicContact CD1-CD1 3.51Å; I948-L972 HydrophobicContact CD1-CD2 4.27Å; I948-L972 HydrophobicContact CG1-CD1 4.09Å; I948-L972 HydrophobicContact CG1-CD2 4.21Å; I953-L972 HydrophobicContact CG2-CD2 3.7Å; I953-L972 HydrophobicContact CG2-CG 4.1Å; A956-L972 HydrophobicContact CB-CD2 3.83Å; V957-L972 HydrophobicContact CG2-CB 4.38Å; V957-L972 HydrophobicContact CG2-CD2 3.8Å; D968-L972 WeakPolarHBondContact O-CB 3.22Å; D968-L972 PolarHBondContact O-N 3.35Å; D968-L972 VanDerWaalsContact O-N 3.08Å; A969-L972 PolarHBondContact O-N 3.31Å; A970-L972 VanDerWaalsContact C-N 3.34Å; A970-L972 PolarHBondContact O-N 3.24Å; L972-Y974 VanDerWaalsContact C-N 3.35Å; L972-Y974 PolarHBondContact O-N 3.4Å; L972-K975 PolarHBondContact O-N 3.33Å; L972-E976 PolarHBondContact O-N 3.03Å; L972-E976 VanDerWaalsContact O-N 3.15Å
973L88.6Confident84Confident4 Ų450.8 Ų50.82%0.02125%0.249CC..Hα-helixtrans-59.6-43.5176.3-96.2157.5000112.1V957 A969 A970 K975 E976 V977 M994 L997 I998 L1001V957-L973 HydrophobicContact CB-CD1 4.46Å; V957-L973 HydrophobicContact CG1-CD1 3.6Å; V957-L973 HydrophobicContact CG1-CG 4.31Å; V957-L973 HydrophobicContact CG2-CD1 4.02Å; V957-L973 HydrophobicContact CG2-CG 3.8Å; A969-L973 PolarHBondContact O-N 3.41Å; A970-L973 PolarHBondContact O-N 3.19Å; L973-K975 PolarHBondContact O-N 3.19Å; L973-E976 PolarHBondContact O-N 3.45Å; L973-E976 VanDerWaalsContact O-N 3.16Å; L973-V977 WeakPolarHBondContact O-CG2 3.42Å; L973-V977 PolarHBondContact O-N 3.34Å; L973-M994 HydrophobicContact CD2-CE 3.94Å; L973-M994 HydrophobicContact CD2-SD 3.55Å; L973-M994 VanDerWaalsContact CD2-SD 3.55Å; L973-L997 HydrophobicContact CD1-CB 4.02Å; L973-I998 HydrophobicContact CB-CD1 3.97Å; L973-I998 HydrophobicContact CB-CG1 3.56Å; L973-I998 HydrophobicContact CD1-CG1 4.37Å; L973-I998 HydrophobicContact CG-CG1 4.46Å; L973-L1001 HydrophobicContact CD1-CD1 3.55Å
974Y88.5Confident82.9Confident42 Ų4254.9 Ų54.917%0.16528%0.277CS..Hα-helixtrans-66.5-39.1-178.9-170.3-90.4000112.5A970 E971 L972 E976 V977 Q978 Y995 I998 V1080 L1084A970-Y974 PolarHBondContact O-N 3.41Å; E971-Y974 PolarHBondContact O-N 3.16Å; L972-Y974 VanDerWaalsContact C-N 3.35Å; L972-Y974 PolarHBondContact O-N 3.4Å; Y974-E976 PolarHBondContact O-N 3.45Å; Y974-V977 PolarHBondContact O-N 3.12Å; Y974-Q978 HydrophobicContact CD1-CG 4.05Å; Y974-Q978 HydrophobicContact CE1-CG 3.78Å; Y974-Q978 VanDerWaalsContact CZ-NE2 3.3Å; Y974-Q978 WeakPolarHBondContact O-CG 3.3Å; Y974-Q978 PolarHBondContact O-N 3.21Å; Y974-Q978 PolarHBondContact OH-NE2 3.21Å; Y974-Q978 VanDerWaalsContact OH-NE2 3.12Å; Y974-Y995 HydrophobicContact CD2-CE1 4.25Å; Y974-Y995 HydrophobicContact CE2-CE1 4.01Å; Y974-I998 HydrophobicContact CD2-CD1 4.09Å; Y974-V1080 HydrophobicContact CD1-CG1 3.83Å; Y974-V1080 HydrophobicContact CE1-CG1 3.31Å; Y974-L1084 HydrophobicContact CD1-CD1 3.75Å; Y974-L1084 HydrophobicContact CD2-CD1 3.38Å; Y974-L1084 HydrophobicContact CD2-CG 3.89Å; Y974-L1084 HydrophobicContact CE1-CD1 4.27Å; Y974-L1084 HydrophobicContact CE2-CD1 3.93Å; Y974-L1084 HydrophobicContact CE2-CG 4.21Å; Y974-L1084 HydrophobicContact CG-CD1 3.26Å; Y974-L1084 HydrophobicContact CG-CG 4.26Å
975K87.2Confident81.9Confident110 Ų11061.6 Ų61.648%0.47831%0.307SS..Hα-helixtrans-59.1-39.9172.1-77.4175.3-174.8156.90111.4E971 L972 L973 Q978 K979E971-K975 WeakPolarHBondContact O-CG 3.08Å; E971-K975 PolarHBondContact O-N 2.92Å; E971-K975 WeakPolarHBondContact OE1-CE 3.29Å; E971-K975 IonicContact OE1-NZ 3.52Å; E971-K975 PolarHBondContact OE1-NZ 2.69Å; L972-K975 PolarHBondContact O-N 3.33Å; L973-K975 PolarHBondContact O-N 3.19Å; K975-Q978 PolarHBondContact O-N 3.11Å; K975-K979 PolarHBondContact O-N 2.98Å
976E86.4Confident81.2Confident42 Ų4263.8 Ų63.820%0.19632%0.315CS..Hα-helixtrans-68.1-39.1178.4-166.656-163.200112.1I953 L972 L973 Y974 Q978 K979 I980I953-E976 HydrophobicContact CD1-CB 4.32Å; I953-E976 HydrophobicContact CD1-CG 3.8Å; I953-E976 WeakPolarHBondContact CD1-OE2 3.04Å; I953-E976 HydrophobicContact CG2-CB 4.29Å; I953-E976 HydrophobicContact CG2-CG 4.35Å; L972-E976 PolarHBondContact O-N 3.03Å; L972-E976 VanDerWaalsContact O-N 3.15Å; L973-E976 PolarHBondContact O-N 3.45Å; L973-E976 VanDerWaalsContact O-N 3.16Å; Y974-E976 PolarHBondContact O-N 3.45Å; E976-Q978 VanDerWaalsContact C-N 3.31Å; E976-Q978 PolarHBondContact O-N 3.2Å; E976-K979 WeakPolarHBondContact O-CB 3.12Å; E976-K979 PolarHBondContact O-N 3.2Å; E976-K979 VanDerWaalsContact O-N 3.17Å; E976-I980 HydrophobicContact CG-CD1 4.02Å; E976-I980 WeakPolarHBondContact O-CD1 3.34Å; E976-I980 VanDerWaalsContact O-CG1 3.27Å; E976-I980 WeakPolarHBondContact O-CG1 3.31Å; E976-I980 PolarHBondContact O-N 3.22Å
977V86.6Confident80.9Confident0 Ų064.9 Ų64.90%033%0.327CS..Hα-helixtrans-61.4-38.2173.4173.90000112.2L973 Y974 I980 K981 M991 M994 Y995 I998L973-V977 WeakPolarHBondContact O-CG2 3.42Å; L973-V977 PolarHBondContact O-N 3.34Å; Y974-V977 PolarHBondContact O-N 3.12Å; V977-I980 PolarHBondContact O-N 2.96Å; V977-K981 PolarHBondContact O-N 3.08Å; V977-M991 HydrophobicContact CG1-CE 3.82Å; V977-M994 HydrophobicContact CG2-CB 3.5Å; V977-M994 HydrophobicContact CG2-CG 4.16Å; V977-Y995 HydrophobicContact CG1-CD2 4.34Å; V977-Y995 HydrophobicContact CG1-CE1 4.03Å; V977-Y995 HydrophobicContact CG1-CE2 3.52Å; V977-Y995 VanDerWaalsContact CG1-OH 3.22Å; V977-Y995 WeakPolarHBondContact CG1-OH 3.3Å; V977-I998 HydrophobicContact CG2-CD1 4.18Å
978Q84.5Confident80.7Confident69 Ų6965.2 Ų65.232%0.32233%0.332SS..Hα-helixtrans-67.8-37.7175.1-66.2-63.4-20.200112.1Y974 K975 E976 K981Y974-Q978 HydrophobicContact CD1-CG 4.05Å; Y974-Q978 HydrophobicContact CE1-CG 3.78Å; Y974-Q978 VanDerWaalsContact CZ-NE2 3.3Å; Y974-Q978 WeakPolarHBondContact O-CG 3.3Å; Y974-Q978 PolarHBondContact O-N 3.21Å; Y974-Q978 PolarHBondContact OH-NE2 3.21Å; Y974-Q978 VanDerWaalsContact OH-NE2 3.12Å; K975-Q978 PolarHBondContact O-N 3.11Å; E976-Q978 VanDerWaalsContact C-N 3.31Å; E976-Q978 PolarHBondContact O-N 3.2Å; Q978-K981 PolarHBondContact O-N 2.91Å
979K83.3Confident80.8Confident134 Ų13465 Ų6558%0.58333%0.33SS*.Hα-helixtrans-61.3-47.7172.1-113-177.6176.8-176.90111.5K975 E976 K981 Q982 S983K975-K979 PolarHBondContact O-N 2.98Å; E976-K979 WeakPolarHBondContact O-CB 3.12Å; E976-K979 PolarHBondContact O-N 3.2Å; E976-K979 VanDerWaalsContact O-N 3.17Å; K979-K981 VanDerWaalsContact C-N 3.29Å; K979-K981 PolarHBondContact O-N 3.25Å; K979-Q982 PolarHBondContact O-N 2.97Å; K979-Q982 VanDerWaalsContact O-N 3.14Å; K979-S983 PolarHBondContact O-N 3.19Å; K979-S983 PolarHBondContact O-OG 3.35Å
980I82.2Confident80.8Confident9 Ų967 Ų675%0.04634%0.338CS..Hα-helixtrans-64.7-33-179.5-65.9159000111.7E976 V977 Q982 S983 R986 Y990 M991 M994E976-I980 HydrophobicContact CG-CD1 4.02Å; E976-I980 WeakPolarHBondContact O-CD1 3.34Å; E976-I980 VanDerWaalsContact O-CG1 3.27Å; E976-I980 WeakPolarHBondContact O-CG1 3.31Å; E976-I980 PolarHBondContact O-N 3.22Å; V977-I980 PolarHBondContact O-N 2.96Å; I980-Q982 PolarHBondContact O-N 2.61Å; I980-S983 WeakPolarHBondContact CA-OG 3.36Å; I980-S983 CarbonylContact O-C 3.58Å; I980-S983 PolarHBondContact O-N 3.35Å; I980-S983 PolarHBondContact O-OG 3.21Å; I980-R986 HydrophobicContact CG2-CB 4.05Å; I980-R986 HydrophobicContact CG2-CG 3.92Å; I980-Y990 HydrophobicContact CD1-CE1 3.87Å; I980-M991 HydrophobicContact CB-SD 4.33Å; I980-M991 HydrophobicContact CG2-CE 4.34Å; I980-M991 HydrophobicContact CG2-SD 3.65Å; I980-M994 HydrophobicContact CD1-CE 4.48Å
981K76.4Confident80.8Confident67 Ų6767.2 Ų67.229%0.29134%0.339SS..Hα-helixtrans-60.4-30175.1-100.9-179.2170.3-177.60113.5V977 Q978 K979 M991 I1126V977-K981 PolarHBondContact O-N 3.08Å; Q978-K981 PolarHBondContact O-N 2.91Å; K979-K981 VanDerWaalsContact C-N 3.29Å; K979-K981 PolarHBondContact O-N 3.25Å; K981-M991 HydrophobicContact CG-CE 3.79Å; K981-I1126 WeakPolarHBondContact CE-O 3.49Å; K981-I1126 PolarHBondContact NZ-O 3.24Å
982Q72.1Confident80.9Confident169 Ų16965.8 Ų65.879%0.7933%0.332SS*.Hα-helixtrans-82.2-29.6-180-64.8177.8-4.600112K979 I980 S984K979-Q982 PolarHBondContact O-N 2.97Å; K979-Q982 VanDerWaalsContact O-N 3.14Å; I980-Q982 PolarHBondContact O-N 2.61Å; Q982-S984 PolarHBondContact O-N 2.86Å
983S66.4Low81Confident72 Ų7265.5 Ų65.550%0.50333%0.33SS..SBendtrans-88.688.4172.741.10000109.8K979 I980 N985K979-S983 PolarHBondContact O-N 3.19Å; K979-S983 PolarHBondContact O-OG 3.35Å; I980-S983 WeakPolarHBondContact CA-OG 3.36Å; I980-S983 CarbonylContact O-C 3.58Å; I980-S983 PolarHBondContact O-N 3.35Å; I980-S983 PolarHBondContact O-OG 3.21Å; S983-N985 PolarHBondContact O-N 2.82Å
984S55.8Low81Confident111 Ų11165.4 Ų65.478%0.77633%0.329SS*.  trans-46138.9178.866.60000111.8Q982Q982-S984 PolarHBondContact O-N 2.86Å
985N61.5Low81.1Confident162 Ų16263.9 Ų63.987%0.86632%0.323SS*.  trans109.721.9161.3-137.119.9000119.3S983S983-N985 PolarHBondContact O-N 2.82Å
986R70.1Confident81.3Confident134 Ų13458.9 Ų58.951%0.50630%0.302SS..  trans-86.5149.6165.8-72.5-145.7-173.3-169.15.1113.3I980 Y990I980-R986 HydrophobicContact CG2-CB 4.05Å; I980-R986 HydrophobicContact CG2-CG 3.92Å; R986-Y990 PolarHBondContact NH1-OH 3.24Å; R986-Y990 VanDerWaalsContact NH1-OH 3.13Å
987S81.2Confident81.5Confident54 Ų5457.3 Ų57.338%0.37830%0.295SS..  trans-62.2143.2-177.773.30000112.1L989 Y990 M991S987-L989 PolarHBondContact O-N 3.37Å; S987-Y990 PolarHBondContact O-N 3.38Å; S987-Y990 VanDerWaalsContact O-N 3.15Å; S987-Y990 PolarHBondContact OG-N 3.37Å; S987-M991 PolarHBondContact O-N 3.34Å
988P83.8Confident81.7Confident50 Ų5057.4 Ų57.433%0.32530%0.295SS..Hα-helixtrans-55.1-33.3174.5-2734.5000113.3M991 K992 Y1095 I1098 M1099P988-M991 PolarHBondContact O-N 3.13Å; P988-K992 PolarHBondContact O-N 3.27Å; P988-Y1095 HydrophobicContact CB-CD1 4.03Å; P988-I1098 HydrophobicContact CB-CG2 4.38Å; P988-I1098 HydrophobicContact CG-CG2 4.48Å; P988-M1099 HydrophobicContact CB-CG 3.96Å; P988-M1099 HydrophobicContact CB-SD 4.49Å
989L88.9Confident81.9Confident58 Ų5854.1 Ų54.130%0.30428%0.28SS..Hα-helixtrans-63.9-44.2178.3177.161.3000111.8S987 M991 K992 K993 E1040 M1099S987-L989 PolarHBondContact O-N 3.37Å; L989-M991 VanDerWaalsContact C-N 3.34Å; L989-M991 PolarHBondContact O-N 3.43Å; L989-K992 PolarHBondContact O-N 2.98Å; L989-K993 HydrophobicContact CD1-CG 4.44Å; L989-K993 HydrophobicContact CG-CD 4.47Å; L989-K993 WeakPolarHBondContact O-CG 3.38Å; L989-K993 PolarHBondContact O-N 2.96Å; L989-E1040 VanDerWaalsContact CD2-OE1 3.24Å; L989-E1040 WeakPolarHBondContact CD2-OE1 3.44Å; L989-M1099 HydrophobicContact CB-CE 3.91Å; L989-M1099 HydrophobicContact CB-SD 4.2Å; L989-M1099 HydrophobicContact CD1-CE 3.65Å; L989-M1099 HydrophobicContact CD1-SD 4.3Å; L989-M1099 HydrophobicContact CG-CE 4.29Å
990Y87.7Confident82.3Confident41 Ų4150.1 Ų50.116%0.16127%0.265CS..Hα-helixtrans-62.3-43.7177.8-174.4-98.2000111.4I980 R986 S987 K992 K993 M994 L1037I980-Y990 HydrophobicContact CD1-CE1 3.87Å; R986-Y990 PolarHBondContact NH1-OH 3.24Å; R986-Y990 VanDerWaalsContact NH1-OH 3.13Å; S987-Y990 PolarHBondContact O-N 3.38Å; S987-Y990 VanDerWaalsContact O-N 3.15Å; S987-Y990 PolarHBondContact OG-N 3.37Å; Y990-K992 VanDerWaalsContact C-N 3.34Å; Y990-K992 PolarHBondContact O-N 2.93Å; Y990-K993 PolarHBondContact O-N 3.03Å; Y990-M994 HydrophobicContact CD1-CG 4.21Å; Y990-M994 HydrophobicContact CE1-CE 3.83Å; Y990-M994 HydrophobicContact CE1-CG 3.84Å; Y990-M994 HydrophobicContact CE1-SD 4.32Å; Y990-M994 WeakPolarHBondContact O-CG 3.3Å; Y990-M994 PolarHBondContact O-N 3.04Å; Y990-M994 WeakPolarHBondContact OH-CE 2.73Å; Y990-L1037 HydrophobicContact CE2-CD2 4.34Å
991M88.7Confident82.7Confident6 Ų649.9 Ų49.93%0.0326%0.263CS..Hα-helixtrans-61.8-43176.6-64.8-61.7-85.400111.5V977 I980 K981 S987 P988 L989 M994 Y995 Y1095V977-M991 HydrophobicContact CG1-CE 3.82Å; I980-M991 HydrophobicContact CB-SD 4.33Å; I980-M991 HydrophobicContact CG2-CE 4.34Å; I980-M991 HydrophobicContact CG2-SD 3.65Å; K981-M991 HydrophobicContact CG-CE 3.79Å; S987-M991 PolarHBondContact O-N 3.34Å; P988-M991 PolarHBondContact O-N 3.13Å; L989-M991 VanDerWaalsContact C-N 3.34Å; L989-M991 PolarHBondContact O-N 3.43Å; M991-M994 PolarHBondContact O-N 2.9Å; M991-Y995 VanDerWaalsContact O-CD2 3.24Å; M991-Y995 WeakPolarHBondContact O-CD2 3.26Å; M991-Y995 PolarHBondContact O-N 3.3Å; M991-Y995 VanDerWaalsContact O-N 3.09Å; M991-Y1095 HydrophobicContact CB-CD1 3.78Å; M991-Y1095 HydrophobicContact CB-CD2 3.94Å; M991-Y1095 HydrophobicContact CB-CE1 3.59Å; M991-Y1095 HydrophobicContact CB-CE2 3.78Å; M991-Y1095 HydrophobicContact CB-CG 3.94Å; M991-Y1095 HydrophobicContact CE-CE2 4.47Å; M991-Y1095 WeakPolarHBondContact CE-OH 3.48Å; M991-Y1095 HydrophobicContact CG-CD1 4.5Å; M991-Y1095 HydrophobicContact CG-CE1 3.89Å; M991-Y1095 HydrophobicContact CG-CE2 4.47Å
992K90.2Very high83.3Confident16 Ų1646.8 Ų46.87%0.0725%0.25CS..Hα-helixtrans-59.2-47.1173.2-174.4-176.5169.8-167.20111.6P988 L989 Y990 M994 Y995 V996 H1096 M1099 P1242P988-K992 PolarHBondContact O-N 3.27Å; L989-K992 PolarHBondContact O-N 2.98Å; Y990-K992 VanDerWaalsContact C-N 3.34Å; Y990-K992 PolarHBondContact O-N 2.93Å; K992-M994 VanDerWaalsContact C-N 3.34Å; K992-M994 PolarHBondContact O-N 2.82Å; K992-Y995 PolarHBondContact O-N 2.74Å; K992-V996 HydrophobicContact CG-CG2 4.32Å; K992-V996 VanDerWaalsContact O-CG2 3.28Å; K992-V996 WeakPolarHBondContact O-CG2 3.46Å; K992-V996 PolarHBondContact O-N 3.01Å; K992-H1096 HydrophobicContact CD-CB 4.09Å; K992-H1096 PolarHBondContact NZ-ND1 3.24Å; K992-M1099 HydrophobicContact CB-SD 4.42Å; K992-M1099 HydrophobicContact CD-SD 3.92Å; K992-P1242 PolarHBondContact NZ-O 2.79Å
993K90.6Very high84Confident26 Ų2641.3 Ų41.311%0.11322%0.224CC..Hα-helixtrans-56.4-45.3177.9-74.1177.6178.1178.90111.5L989 Y990 V996 L997 L1036 E1040L989-K993 HydrophobicContact CD1-CG 4.44Å; L989-K993 HydrophobicContact CG-CD 4.47Å; L989-K993 WeakPolarHBondContact O-CG 3.38Å; L989-K993 PolarHBondContact O-N 2.96Å; Y990-K993 PolarHBondContact O-N 3.03Å; K993-V996 PolarHBondContact O-N 2.68Å; K993-L997 WeakPolarHBondContact O-CG 3.5Å; K993-L997 PolarHBondContact O-N 3.2Å; K993-L1036 WeakPolarHBondContact CE-O 3.15Å; K993-L1036 PolarHBondContact NZ-O 3Å; K993-E1040 IonicContact NZ-OE1 3.69Å; K993-E1040 PolarHBondContact NZ-OE1 2.95Å
994M89.4Confident85Confident2 Ų239.8 Ų39.81%0.0121%0.209CC..Hα-helixtrans-62.9-45.7177.6-65.6-57-128.800112.7L973 V977 I980 Y990 M991 K992 V996 L997 I998L973-M994 HydrophobicContact CD2-CE 3.94Å; L973-M994 HydrophobicContact CD2-SD 3.55Å; L973-M994 VanDerWaalsContact CD2-SD 3.55Å; V977-M994 HydrophobicContact CG2-CB 3.5Å; V977-M994 HydrophobicContact CG2-CG 4.16Å; I980-M994 HydrophobicContact CD1-CE 4.48Å; Y990-M994 HydrophobicContact CD1-CG 4.21Å; Y990-M994 HydrophobicContact CE1-CE 3.83Å; Y990-M994 HydrophobicContact CE1-CG 3.84Å; Y990-M994 HydrophobicContact CE1-SD 4.32Å; Y990-M994 WeakPolarHBondContact O-CG 3.3Å; Y990-M994 PolarHBondContact O-N 3.04Å; Y990-M994 WeakPolarHBondContact OH-CE 2.73Å; M991-M994 PolarHBondContact O-N 2.9Å; K992-M994 VanDerWaalsContact C-N 3.34Å; K992-M994 PolarHBondContact O-N 2.82Å; M994-V996 VanDerWaalsContact C-N 3.33Å; M994-V996 PolarHBondContact O-N 3.41Å; M994-L997 WeakPolarHBondContact O-CB 3.08Å; M994-L997 PolarHBondContact O-N 3Å; M994-L997 HydrophobicContact SD-CD1 4.33Å; M994-I998 WeakPolarHBondContact O-CG1 3.36Å; M994-I998 PolarHBondContact O-N 2.84Å
995Y90.7Very high86.5Confident9 Ų937.5 Ų37.54%0.03518%0.184CC..Hα-helixtrans-67.4-32.4177.2-78.2-69.5000113.1Y974 V977 M991 K992 I998 G999 A1092 Y1095Y974-Y995 HydrophobicContact CD2-CE1 4.25Å; Y974-Y995 HydrophobicContact CE2-CE1 4.01Å; V977-Y995 HydrophobicContact CG1-CD2 4.34Å; V977-Y995 HydrophobicContact CG1-CE1 4.03Å; V977-Y995 HydrophobicContact CG1-CE2 3.52Å; V977-Y995 VanDerWaalsContact CG1-OH 3.22Å; V977-Y995 WeakPolarHBondContact CG1-OH 3.3Å; M991-Y995 VanDerWaalsContact O-CD2 3.24Å; M991-Y995 WeakPolarHBondContact O-CD2 3.26Å; M991-Y995 PolarHBondContact O-N 3.3Å; M991-Y995 VanDerWaalsContact O-N 3.09Å; K992-Y995 PolarHBondContact O-N 2.74Å; Y995-I998 HydrophobicContact CD1-CD1 4.27Å; Y995-I998 PolarHBondContact O-N 2.97Å; Y995-G999 PolarHBondContact O-N 2.96Å; Y995-A1092 VanDerWaalsContact CB-N 3.34Å; Y995-Y1095 HydrophobicContact CD2-CD2 4.13Å; Y995-Y1095 HydrophobicContact CD2-CE2 4.26Å; Y995-Y1095 HydrophobicContact CE2-CD2 4.11Å; Y995-Y1095 AromaticContact CE2-CE2 3.78Å; Y995-Y1095 HydrophobicContact CE2-CE2 3.78Å
996V91.5Very high87.6Confident5 Ų533 Ų333%0.0316%0.155CC..Hα-helixtrans-65.1-42.8173169.20000110.9K992 K993 M994 I998 G999 L1000 W1089 A1092 L1243K992-V996 HydrophobicContact CG-CG2 4.32Å; K992-V996 VanDerWaalsContact O-CG2 3.28Å; K992-V996 WeakPolarHBondContact O-CG2 3.46Å; K992-V996 PolarHBondContact O-N 3.01Å; K993-V996 PolarHBondContact O-N 2.68Å; M994-V996 VanDerWaalsContact C-N 3.33Å; M994-V996 PolarHBondContact O-N 3.41Å; V996-I998 VanDerWaalsContact C-N 3.32Å; V996-I998 PolarHBondContact O-N 3.48Å; V996-G999 PolarHBondContact O-N 3.23Å; V996-L1000 HydrophobicContact CG1-CD1 4.15Å; V996-L1000 HydrophobicContact CG1-CG 4.48Å; V996-L1000 WeakPolarHBondContact O-CG 3.42Å; V996-L1000 PolarHBondContact O-N 3.48Å; V996-W1089 HydrophobicContact CB-CZ3 4.5Å; V996-W1089 HydrophobicContact CG1-CZ3 4.21Å; V996-W1089 HydrophobicContact CG2-CZ3 4.48Å; V996-A1092 HydrophobicContact CG2-CB 3.73Å; V996-L1243 VanDerWaalsContact CG2-O 3.24Å; V996-L1243 WeakPolarHBondContact CG2-O 3.44Å
997L90.2Very high88.3Confident10 Ų1032.1 Ų32.15%0.05216%0.157CC..Hα-helixtrans-59.2-43.4174.6-77.4161.5000111.9L973 K993 M994 L1000 L1001 L1033 L1037L973-L997 HydrophobicContact CD1-CB 4.02Å; K993-L997 WeakPolarHBondContact O-CG 3.5Å; K993-L997 PolarHBondContact O-N 3.2Å; M994-L997 WeakPolarHBondContact O-CB 3.08Å; M994-L997 PolarHBondContact O-N 3Å; M994-L997 HydrophobicContact SD-CD1 4.33Å; L997-L1000 PolarHBondContact O-N 2.94Å; L997-L1001 WeakPolarHBondContact O-CG 3.31Å; L997-L1001 PolarHBondContact O-N 3.08Å; L997-L1033 HydrophobicContact CD2-CD1 3.18Å; L997-L1033 HydrophobicContact CD2-CG 3.75Å; L997-L1037 HydrophobicContact CD1-CD1 4.26Å
998I90.2Very high88.2Confident1 Ų132.4 Ų32.41%0.00515%0.152CC..Hα-helixtrans-60.1-47.2174.5-67.8166.7000110.5L973 Y974 V977 M994 Y995 V996 L1000 L1001 M1002 L1084L973-I998 HydrophobicContact CB-CD1 3.97Å; L973-I998 HydrophobicContact CB-CG1 3.56Å; L973-I998 HydrophobicContact CD1-CG1 4.37Å; L973-I998 HydrophobicContact CG-CG1 4.46Å; Y974-I998 HydrophobicContact CD2-CD1 4.09Å; V977-I998 HydrophobicContact CG2-CD1 4.18Å; M994-I998 WeakPolarHBondContact O-CG1 3.36Å; M994-I998 PolarHBondContact O-N 2.84Å; Y995-I998 HydrophobicContact CD1-CD1 4.27Å; Y995-I998 PolarHBondContact O-N 2.97Å; V996-I998 VanDerWaalsContact C-N 3.32Å; V996-I998 PolarHBondContact O-N 3.48Å; I998-L1000 VanDerWaalsContact C-N 3.34Å; I998-L1000 PolarHBondContact O-N 3.15Å; I998-L1001 PolarHBondContact O-N 3.21Å; I998-M1002 WeakPolarHBondContact O-CG 3.4Å; I998-M1002 PolarHBondContact O-N 2.98Å; I998-L1084 HydrophobicContact CG2-CD2 3.45Å; I998-L1084 VanDerWaalsContact CG2-CD2 3.45Å; I998-L1084 HydrophobicContact CG2-CG 4.41Å
999G89.8Confident87.9Confident0 Ų032.8 Ų32.80%015%0.152CC..Hα-helixtrans-57.6-43.7176.700000113.1Y995 V996 M1002 E1003Y995-G999 PolarHBondContact O-N 2.96Å; V996-G999 PolarHBondContact O-N 3.23Å; G999-M1002 PolarHBondContact O-N 3.16Å; G999-E1003 PolarHBondContact O-N 3.12Å
1000L91.2Very high87.3Confident51 Ų5137.1 Ų37.127%0.26717%0.168SC..Hα-helixtrans-67.2-40.9178.2-69.5172.7000113.1V996 L997 I998 M1002 E1003 Q1004 W1089 T1225V996-L1000 HydrophobicContact CG1-CD1 4.15Å; V996-L1000 HydrophobicContact CG1-CG 4.48Å; V996-L1000 WeakPolarHBondContact O-CG 3.42Å; V996-L1000 PolarHBondContact O-N 3.48Å; L997-L1000 PolarHBondContact O-N 2.94Å; I998-L1000 VanDerWaalsContact C-N 3.34Å; I998-L1000 PolarHBondContact O-N 3.15Å; L1000-M1002 VanDerWaalsContact C-N 3.3Å; L1000-M1002 PolarHBondContact O-N 2.84Å; L1000-E1003 PolarHBondContact O-N 3.16Å; L1000-Q1004 WeakPolarHBondContact O-CG 3.39Å; L1000-Q1004 PolarHBondContact O-N 2.89Å; L1000-W1089 HydrophobicContact CD2-CH2 3.93Å; L1000-W1089 HydrophobicContact CG-CH2 4.02Å; L1000-T1225 HydrophobicContact CD2-CG2 3.82Å
1001L89.8Confident86.2Confident4 Ų441.3 Ų41.32%0.02119%0.193CC..Hα-helixtrans-64.1-37.4176-73.3168000111.6V957 K961 F966 A969 A970 L973 L997 I998 Q1004 Y1005V957-L1001 HydrophobicContact CG1-CD1 3.86Å; K961-L1001 HydrophobicContact CB-CD2 4.44Å; K961-L1001 HydrophobicContact CD-CD2 4.3Å; K961-L1001 HydrophobicContact CG-CD2 4.22Å; F966-L1001 HydrophobicContact CD1-CD2 4.25Å; A969-L1001 HydrophobicContact CB-CD1 3.91Å; A969-L1001 HydrophobicContact CB-CD2 4.15Å; A970-L1001 HydrophobicContact CB-CB 4.02Å; A970-L1001 HydrophobicContact CB-CD1 4.41Å; L973-L1001 HydrophobicContact CD1-CD1 3.55Å; L997-L1001 WeakPolarHBondContact O-CG 3.31Å; L997-L1001 PolarHBondContact O-N 3.08Å; I998-L1001 PolarHBondContact O-N 3.21Å; L1001-Q1004 PolarHBondContact O-N 3.04Å; L1001-Y1005 PolarHBondContact O-N 3.23Å
1002M88.9Confident84.8Confident2 Ų247.3 Ų47.31%0.0122%0.221CC..Hα-helixtrans-67.9-39.2175.6-70.2-58.4-64.300112.3L967 A970 I998 G999 L1000 Q1004 Y1005 Y1006 L1084 I1085 P1088L967-M1002 HydrophobicContact CD1-CE 4.34Å; L967-M1002 HydrophobicContact CD1-SD 4.3Å; A970-M1002 HydrophobicContact CB-CG 4.24Å; A970-M1002 HydrophobicContact CB-SD 3.92Å; I998-M1002 WeakPolarHBondContact O-CG 3.4Å; I998-M1002 PolarHBondContact O-N 2.98Å; G999-M1002 PolarHBondContact O-N 3.16Å; L1000-M1002 VanDerWaalsContact C-N 3.3Å; L1000-M1002 PolarHBondContact O-N 2.84Å; M1002-Q1004 PolarHBondContact O-N 2.9Å; M1002-Y1005 HydrophobicContact CE-CD1 4.31Å; M1002-Y1005 WeakPolarHBondContact O-CB 3.43Å; M1002-Y1005 PolarHBondContact O-N 2.64Å; M1002-Y1006 HydrophobicContact CB-CE2 4.24Å; M1002-Y1006 HydrophobicContact CE-CE1 4.38Å; M1002-Y1006 WeakPolarHBondContact O-CD2 3.32Å; M1002-Y1006 PolarHBondContact O-N 2.79Å; M1002-L1084 HydrophobicContact CG-CD2 4.04Å; M1002-L1084 HydrophobicContact SD-CD2 4.23Å; M1002-I1085 HydrophobicContact CE-CB 4.44Å; M1002-I1085 HydrophobicContact CE-CG1 3.85Å; M1002-P1088 HydrophobicContact CB-CB 4.15Å; M1002-P1088 HydrophobicContact CG-CB 4.34Å
1003E88.2Confident83.2Confident53 Ų5350.5 Ų50.525%0.24825%0.25CC..Hα-helixtrans-61.1-42.4171.7-71.5-62.3158.700111.9G999 L1000 Y1005 Y1006 E1007 W1089 T1225G999-E1003 PolarHBondContact O-N 3.12Å; L1000-E1003 PolarHBondContact O-N 3.16Å; E1003-Y1005 VanDerWaalsContact C-N 3.32Å; E1003-Y1005 PolarHBondContact O-N 3.19Å; E1003-Y1006 PolarHBondContact O-N 3.16Å; E1003-E1007 PolarHBondContact O-N 3.34Å; E1003-W1089 HydrophobicContact CG-CZ2 4.08Å; E1003-T1225 HydrophobicContact CG-CG2 4.29Å
1004Q87.3Confident80.8Confident40 Ų4055.6 Ų55.619%0.18728%0.278CS..Hα-helixtrans-62.8-37.8174.8-70.7-172.8-26.300112.4F966 L1000 L1001 M1002 E1007 Q1008F966-Q1004 HydrophobicContact CD1-CB 4.01Å; F966-Q1004 HydrophobicContact CD2-CB 4.08Å; F966-Q1004 HydrophobicContact CE1-CB 4.22Å; F966-Q1004 HydrophobicContact CE2-CB 4.29Å; F966-Q1004 HydrophobicContact CG-CB 3.96Å; F966-Q1004 HydrophobicContact CZ-CB 4.37Å; L1000-Q1004 WeakPolarHBondContact O-CG 3.39Å; L1000-Q1004 PolarHBondContact O-N 2.89Å; L1001-Q1004 PolarHBondContact O-N 3.04Å; M1002-Q1004 PolarHBondContact O-N 2.9Å; Q1004-E1007 PolarHBondContact O-N 3.48Å; Q1004-Q1008 WeakPolarHBondContact O-CB 3.27Å; Q1004-Q1008 PolarHBondContact O-N 3Å
1005Y86.9Confident78.5Confident64 Ų6461.2 Ų61.225%0.25131%0.312SS..Hα-helixtrans-63-44.6172.8174.9-106.1000112L967 L1001 M1002 E1003 E1007 Q1008 N1009L967-Y1005 HydrophobicContact CB-CD2 3.99Å; L967-Y1005 HydrophobicContact CB-CE2 4.02Å; L967-Y1005 HydrophobicContact CD1-CD1 3.95Å; L967-Y1005 HydrophobicContact CD1-CD2 4.22Å; L967-Y1005 HydrophobicContact CD1-CE1 3.7Å; L967-Y1005 HydrophobicContact CD1-CE2 3.98Å; L967-Y1005 HydrophobicContact CD1-CG 4.19Å; L1001-Y1005 PolarHBondContact O-N 3.23Å; M1002-Y1005 HydrophobicContact CE-CD1 4.31Å; M1002-Y1005 WeakPolarHBondContact O-CB 3.43Å; M1002-Y1005 PolarHBondContact O-N 2.64Å; E1003-Y1005 VanDerWaalsContact C-N 3.32Å; E1003-Y1005 PolarHBondContact O-N 3.19Å; Y1005-E1007 VanDerWaalsContact C-N 3.33Å; Y1005-E1007 PolarHBondContact O-N 3.26Å; Y1005-Q1008 PolarHBondContact O-N 3.29Å; Y1005-N1009 VanDerWaalsContact CE1-ND2 3.29Å; Y1005-N1009 WeakPolarHBondContact CE1-ND2 3.14Å; Y1005-N1009 WeakPolarHBondContact CE2-ND2 3.4Å; Y1005-N1009 WeakPolarHBondContact O-CB 3.38Å; Y1005-N1009 PolarHBondContact O-N 2.89Å; Y1005-N1009 PolarHBondContact OH-ND2 3.33Å; Y1005-N1009 VanDerWaalsContact OH-ND2 3.13Å
1006Y85.4Confident75.5Confident66 Ų6669.9 Ų69.926%0.25935%0.35SS..Hα-helixtrans-64-36.8176.4-63.1-44.1000112.5M1002 E1003 K1010 I1085M1002-Y1006 HydrophobicContact CB-CE2 4.24Å; M1002-Y1006 HydrophobicContact CE-CE1 4.38Å; M1002-Y1006 WeakPolarHBondContact O-CD2 3.32Å; M1002-Y1006 PolarHBondContact O-N 2.79Å; E1003-Y1006 PolarHBondContact O-N 3.16Å; Y1006-K1010 WeakPolarHBondContact O-CB 3.45Å; Y1006-K1010 WeakPolarHBondContact O-CG 3.34Å; Y1006-K1010 PolarHBondContact O-N 2.77Å; Y1006-I1085 PolarHBondContact OH-O 2.82Å
1007E83Confident72.8Confident116 Ų11675.7 Ų75.754%0.54239%0.388SS..Hα-helixtrans-67.9-45.3174.4-76.6-171.8160.200112.7E1003 Q1004 Y1005 N1009 K1010 L1011E1003-E1007 PolarHBondContact O-N 3.34Å; Q1004-E1007 PolarHBondContact O-N 3.48Å; Y1005-E1007 VanDerWaalsContact C-N 3.33Å; Y1005-E1007 PolarHBondContact O-N 3.26Å; E1007-N1009 VanDerWaalsContact C-N 3.29Å; E1007-N1009 PolarHBondContact O-N 2.81Å; E1007-K1010 WeakPolarHBondContact O-CB 3.46Å; E1007-K1010 PolarHBondContact O-N 3.06Å; E1007-K1010 VanDerWaalsContact O-N 3.15Å; E1007-L1011 PolarHBondContact O-N 2.86Å
1008Q80.5Confident69.7Low60 Ų6086.7 Ų86.728%0.2843%0.429SS..Hα-helixtrans-59.5-41.8177.5-169.7-177.616.600111.1G964 F966 Q1004 Y1005 L1011 Q1012G964-Q1008 PolarHBondContact O-NE2 3.03Å; G964-Q1008 PolarHBondContact O-OE1 3.23Å; F966-Q1008 HydrophobicContact CD2-CB 4.36Å; F966-Q1008 HydrophobicContact CE2-CB 4.2Å; F966-Q1008 HydrophobicContact CE2-CG 4.41Å; F966-Q1008 VanDerWaalsContact CE2-OE1 3.24Å; Q1004-Q1008 WeakPolarHBondContact O-CB 3.27Å; Q1004-Q1008 PolarHBondContact O-N 3Å; Y1005-Q1008 PolarHBondContact O-N 3.29Å; Q1008-L1011 PolarHBondContact O-N 3.2Å; Q1008-Q1012 PolarHBondContact O-N 2.86Å
1009N77.5Confident66.8Low58 Ų5893.8 Ų93.831%0.3147%0.467SS..Hα-helixtrans-70.3-34.1176.3-76.8-12.4000113Y1005 E1007 L1011 Q1012 A1013Y1005-N1009 VanDerWaalsContact CE1-ND2 3.29Å; Y1005-N1009 WeakPolarHBondContact CE1-ND2 3.14Å; Y1005-N1009 WeakPolarHBondContact CE2-ND2 3.4Å; Y1005-N1009 WeakPolarHBondContact O-CB 3.38Å; Y1005-N1009 PolarHBondContact O-N 2.89Å; Y1005-N1009 PolarHBondContact OH-ND2 3.33Å; Y1005-N1009 VanDerWaalsContact OH-ND2 3.13Å; E1007-N1009 VanDerWaalsContact C-N 3.29Å; E1007-N1009 PolarHBondContact O-N 2.81Å; N1009-L1011 VanDerWaalsContact C-N 3.33Å; N1009-Q1012 PolarHBondContact O-N 2.8Å; N1009-A1013 WeakPolarHBondContact O-CB 3.24Å; N1009-A1013 PolarHBondContact O-N 2.74Å
1010K75.5Confident63.9Low149 Ų149100.4 Ų100.465%0.64851%0.51SS*.Hα-helixtrans-63-38.6171.2-86.2176.8178.1170.70112Y1006 E1007 A1013 N1014Y1006-K1010 WeakPolarHBondContact O-CB 3.45Å; Y1006-K1010 WeakPolarHBondContact O-CG 3.34Å; Y1006-K1010 PolarHBondContact O-N 2.77Å; E1007-K1010 WeakPolarHBondContact O-CB 3.46Å; E1007-K1010 PolarHBondContact O-N 3.06Å; E1007-K1010 VanDerWaalsContact O-N 3.15Å; K1010-A1013 PolarHBondContact O-N 3.43Å; K1010-N1014 PolarHBondContact O-N 3.45Å
1011L65.2Low61Low130 Ų130102 Ų10268%0.68153%0.531SS*.Hα-helixtrans-68.6-36.3176.6-74164.3000112.1E1007 Q1008 N1009 N1014E1007-L1011 PolarHBondContact O-N 2.86Å; Q1008-L1011 PolarHBondContact O-N 3.2Å; N1009-L1011 VanDerWaalsContact C-N 3.33Å; L1011-N1014 PolarHBondContact O-N 2.95Å
1012Q59Low58Low132 Ų132108.5 Ų108.562%0.61758%0.575SS**Hα-helixtrans-72.2-30.8174.1-71-175.25.500113Q1008 N1009Q1008-Q1012 PolarHBondContact O-N 2.86Å; N1009-Q1012 PolarHBondContact O-N 2.8Å
1013A55.7Low55.1Low82 Ų82111.5 Ų111.568%0.67861%0.606SS**Hα-helixtrans-73.5-24.317500000113.4N1009 K1010N1009-A1013 WeakPolarHBondContact O-CB 3.24Å; N1009-A1013 PolarHBondContact O-N 2.74Å; K1010-A1013 PolarHBondContact O-N 3.43Å
1014N42Very low52.2Low133 Ų133118.5 Ų118.571%0.71164%0.639SS**THydrogen-bonded Turntrans-11355.2-178.4-80.8-30.3000112.5K1010 L1011 K1016K1010-N1014 PolarHBondContact O-N 3.45Å; L1011-N1014 PolarHBondContact O-N 2.95Å; N1014-K1016 VanDerWaalsContact C-N 3.32Å; N1014-K1016 PolarHBondContact O-N 2.96Å
1015V40.4Very low49.6Very low120 Ų120119.8 Ų119.873%0.72766%0.662SS**  trans-83.579.6169-171.90000110.1
1016K27.5Very low47.1Very low192 Ų192121.6 Ų121.684%0.83568%0.68SS**  trans-121.5121.4142.9-93.5-174.4178.6177.30106.5N1014 R1018N1014-K1016 VanDerWaalsContact C-N 3.32Å; N1014-K1016 PolarHBondContact O-N 2.96Å; K1016-R1018 PolarHBondContact O-N 3.37Å
1017P34.6Very low44.6Very low126 Ų126125.5 Ų125.582%0.81870%0.704SS**  trans-73.2119.2-171.529.6-32.2000109.6
1018R25.7Very low42.3Very low242 Ų242126.8 Ų126.891%0.91371%0.712SS**  trans-128.6118.6159.6-90.1-174.7170.3177-3108.4K1016K1016-R1018 PolarHBondContact O-N 3.37Å
1019N28Very low40.1Very low149 Ų149125.9 Ų125.980%0.79772%0.715SS**  trans27117.1163.6-76.5-3.3000119.1A1021N1019-A1021 PolarHBondContact O-N 3.08Å
1020P29.8Very low38.1Very low139 Ų139126 Ų12690%0.90372%0.72SS**SBendtrans-79.685.6164.333.3-28000109.1
1021A30.9Very low36.4Very low86 Ų86122.6 Ų122.671%0.71172%0.715SS**  trans-148.154.2168.900000109.4N1019N1019-A1021 PolarHBondContact O-N 3.08Å
1022C25.8Very low35.2Very low140 Ų140119 Ų11995%0.94670%0.698SS**  trans-173.9109.5167.3-118.40000108.7
1023G27.8Very low34.4Very low64 Ų64113.5 Ų113.566%0.6667%0.673SS**  trans172.629.1177.700000116.5G1025G1023-G1025 PolarHBondContact O-N 2.87Å
1024E28.2Very low33.6Very low201 Ų201111.7 Ų111.794%0.93966%0.658SS**THydrogen-bonded Turntrans-74.43.3174.4-79.9-179.7151.400113.7
1025G31.9Very low33.6Very low66 Ų66107 Ų10768%0.6864%0.642SS**THydrogen-bonded Turntrans-86.5-11.8-176.600000117G1023G1023-G1025 PolarHBondContact O-N 2.87Å
1026V34.3Very low33.7Very low102 Ų102102.8 Ų102.862%0.61862%0.615SS**SBendtrans-96.7-10-161.6-175.40000114.4M1028V1026-M1028 VanDerWaalsContact C-N 3.35Å; V1026-M1028 PolarHBondContact O-N 2.93Å
1027L34.3Very low34.4Very low149 Ų14995.2 Ų95.278%0.7858%0.583SS**THydrogen-bonded Turntrans-75.5-15.5-179-84.6159.5000114.8A1029L1027-A1029 VanDerWaalsContact C-N 3.32Å; L1027-A1029 PolarHBondContact O-N 3.32Å
1028M33.2Very low34.7Very low143 Ų14394.4 Ų94.470%0.70457%0.571SS**Hα-helixtrans-72.8-18.1-178.1-75.3-131.6-172.100114.8V1026 S1030 S1031 T1032V1026-M1028 VanDerWaalsContact C-N 3.35Å; V1026-M1028 PolarHBondContact O-N 2.93Å; M1028-S1030 VanDerWaalsContact C-N 3.34Å; M1028-S1031 PolarHBondContact O-OG 2.93Å; M1028-T1032 PolarHBondContact O-OG1 2.82Å
1029A34.4Very low35.4Very low40 Ų4087.5 Ų87.533%0.33156%0.556SS.*Hα-helixtrans-81.4-11.4-179.400000114K961 L1027 T1032K961-A1029 PolarHBondContact NZ-O 2.68Å; L1027-A1029 VanDerWaalsContact C-N 3.32Å; L1027-A1029 PolarHBondContact O-N 3.32Å; A1029-T1032 WeakPolarHBondContact CA-OG1 3.09Å
1030S35.7Very low35.7Very low61 Ų6184.9 Ų84.943%0.42754%0.539SS..Hα-helixtrans-79.8-45.5176158.60000110.9M1028 T1032 L1033M1028-S1030 VanDerWaalsContact C-N 3.34Å; S1030-T1032 VanDerWaalsContact C-N 3.26Å; S1030-T1032 PolarHBondContact O-N 2.9Å; S1030-L1033 PolarHBondContact O-N 3.02Å
1031S40.8Very low36.1Very low78 Ų7885.9 Ų85.955%0.54553%0.532SS..Hα-helixtrans-66.7-27.7179.560.50000113M1028 G1035M1028-S1031 PolarHBondContact O-OG 2.93Å; S1031-G1035 PolarHBondContact O-N 3.18Å
1032T40.2Very low36.1Very low53 Ų5388.3 Ų88.333%0.32553%0.533SS..Hα-helixtrans-70.1-31.5177.6-0.10000112.5M1028 A1029 S1030 G1035 L1036M1028-T1032 PolarHBondContact O-OG1 2.82Å; A1029-T1032 WeakPolarHBondContact CA-OG1 3.09Å; S1030-T1032 VanDerWaalsContact C-N 3.26Å; S1030-T1032 PolarHBondContact O-N 2.9Å; T1032-G1035 PolarHBondContact O-N 2.82Å; T1032-L1036 HydrophobicContact CG2-CD1 4.09Å; T1032-L1036 VanDerWaalsContact O-CB 3.24Å; T1032-L1036 WeakPolarHBondContact O-CB 3.44Å; T1032-L1036 WeakPolarHBondContact O-CD1 3.13Å; T1032-L1036 VanDerWaalsContact O-CG 3.29Å; T1032-L1036 WeakPolarHBondContact O-CG 3.09Å; T1032-L1036 PolarHBondContact O-N 2.83Å
1033L41.8Very low36.2Very low17 Ų1789 Ų899%0.08952%0.522CS..Hα-helixtrans-66.6-46.9-179.6-142.5100.3000111E958 L997 S1030E958-L1033 HydrophobicContact CB-CD2 4.49Å; E958-L1033 HydrophobicContact CG-CD2 4.41Å; L997-L1033 HydrophobicContact CD2-CD1 3.18Å; L997-L1033 HydrophobicContact CD2-CG 3.75Å; S1030-L1033 PolarHBondContact O-N 3.02Å
1034A38.4Very low36.1Very low44 Ų4492 Ų9236%0.36453%0.528SS..Hα-helixtrans-66.6-45.3174.500000111L1036 L1037 L1038A1034-L1036 PolarHBondContact O-N 2.8Å; A1034-L1037 PolarHBondContact O-N 3.22Å; A1034-L1038 HydrophobicContact CB-CD1 3.96Å; A1034-L1038 WeakPolarHBondContact O-CB 3.21Å; A1034-L1038 WeakPolarHBondContact O-CD1 3.31Å; A1034-L1038 WeakPolarHBondContact O-CG 3.36Å; A1034-L1038 PolarHBondContact O-N 2.86Å
1035G41.5Very low36Very low35 Ų3589.3 Ų89.336%0.36152%0.518SS..Hα-helixtrans-65.2-35.7-178.300000114.9S1031 T1032 T1039S1031-G1035 PolarHBondContact O-N 3.18Å; T1032-G1035 PolarHBondContact O-N 2.82Å; G1035-T1039 VanDerWaalsContact O-CG2 3.28Å; G1035-T1039 WeakPolarHBondContact O-CG2 3.41Å; G1035-T1039 PolarHBondContact O-OG1 3.03Å
1036L43.2Very low35.9Very low32 Ų3294.9 Ų94.917%0.16853%0.526CS..Hα-helixtrans-74.5-25.8-176.7-81.3163.4000113.7K993 T1032 A1034K993-L1036 WeakPolarHBondContact CE-O 3.15Å; K993-L1036 PolarHBondContact NZ-O 3Å; T1032-L1036 HydrophobicContact CG2-CD1 4.09Å; T1032-L1036 VanDerWaalsContact O-CB 3.24Å; T1032-L1036 WeakPolarHBondContact O-CB 3.44Å; T1032-L1036 WeakPolarHBondContact O-CD1 3.13Å; T1032-L1036 VanDerWaalsContact O-CG 3.29Å; T1032-L1036 WeakPolarHBondContact O-CG 3.09Å; T1032-L1036 PolarHBondContact O-N 2.83Å; A1034-L1036 PolarHBondContact O-N 2.8Å
1037L41.3Very low35.4Very low33 Ų3397 Ų9717%0.17353%0.534CS..Hα-helixtrans-100.6-32.1-177.7-76159.6000113.1I954 Y990 L997 A1034 T1039I954-L1037 HydrophobicContact CD1-CD1 3.78Å; I954-L1037 HydrophobicContact CD1-CD2 3.64Å; I954-L1037 HydrophobicContact CD1-CG 4.29Å; I954-L1037 HydrophobicContact CG2-CD1 3.62Å; Y990-L1037 HydrophobicContact CE2-CD2 4.34Å; L997-L1037 HydrophobicContact CD1-CD1 4.26Å; A1034-L1037 PolarHBondContact O-N 3.22Å; L1037-T1039 PolarHBondContact O-N 3.22Å
1038L41.6Very low35.1Very low108 Ų10896.5 Ų96.557%0.56553%0.532SS*.Hα-helixtrans-77.4-18-177.7-67.5168.2000113.7A1034 E1040A1034-L1038 HydrophobicContact CB-CD1 3.96Å; A1034-L1038 WeakPolarHBondContact O-CB 3.21Å; A1034-L1038 WeakPolarHBondContact O-CD1 3.31Å; A1034-L1038 WeakPolarHBondContact O-CG 3.36Å; A1034-L1038 PolarHBondContact O-N 2.86Å; L1038-E1040 PolarHBondContact O-N 3.03Å
1039T40.6Very low34.9Very low97 Ų9796.7 Ų96.760%0.59554%0.536SS*.THydrogen-bonded Turntrans-80.6-3.7-171.242.80000116.3G1035 L1037G1035-T1039 VanDerWaalsContact O-CG2 3.28Å; G1035-T1039 WeakPolarHBondContact O-CG2 3.41Å; G1035-T1039 PolarHBondContact O-OG1 3.03Å; L1037-T1039 PolarHBondContact O-N 3.22Å
1040E35Very low34.6Very low95 Ų95102 Ų10244%0.44456%0.559SS.*THydrogen-bonded Turntrans-117.8-6.7177.2-84.3171.1-135.300114.6L989 K993 L1038L989-E1040 VanDerWaalsContact CD2-OE1 3.24Å; L989-E1040 WeakPolarHBondContact CD2-OE1 3.44Å; K993-E1040 IonicContact NZ-OE1 3.69Å; K993-E1040 PolarHBondContact NZ-OE1 2.95Å; L1038-E1040 PolarHBondContact O-N 3.03Å
1041Q36.6Very low34.2Very low160 Ų160102.3 Ų102.375%0.74857%0.571SS**SBendtrans-80.9-15.9179.5-75.7-172.1-26.600114.2
1042D31.8Very low33.7Very low137 Ų137106.4 Ų106.473%0.73359%0.586SS**SBendtrans-98.5-0.2-174.5-72.6-24.7000115.2
1043H27.7Very low33.2Very low153 Ų153109.5 Ų109.571%0.70860%0.599SS**SBendtrans-132.2114.2178.3-66.1-34000110.9
1044T25.3Very low32.8Very low128 Ų128116.9 Ų116.979%0.78564%0.638SS**SBendtrans94.9133.2-178.574.40000114.6
1045I27.4Very low32.7Very low144 Ų144121.3 Ų121.374%0.73865%0.65SS**  trans91.783.6-173.9-46.3158000113.4
1046H28.3Very low32.2Very low183 Ų183127.4 Ų127.485%0.84767%0.669SS**  -170.583.5113.3-95.3-58.6000109.4
1047N24.6Very low31.8Very low148 Ų148131.2 Ų131.279%0.79170%0.698SS**SBendtrans-129.3130.6152.9-116.8-7000106.3
1048N27.1Very low31.6Very low137 Ų137136.3 Ų136.373%0.73372%0.721SS**  trans68.6101.9164.7-58.4-17.5000117.8
1049N29.9Very low31.1Very low147 Ų147136.9 Ų136.979%0.78672%0.723SS**  162.9105.3117.8-79.3-23.7000107.6
1050N27.4Very low30.8Very low153 Ų153139.6 Ų139.682%0.81873%0.733SS**  49.3108.289.2-81-12000113.5
1051G27.6Very low30.9Very low66 Ų66143.2 Ų143.268%0.6875%0.75SS**  trans67.6150.2140.800000117.1
1052I29.8Very low30.7Very low165 Ų165142 Ų14285%0.84675%0.749SS**  trans74.8102.8177.9-35.6161.6000108.4
1053I30.5Very low30.6Very low117 Ų117144.6 Ų144.660%0.675%0.75SS**  -164.694.176.2-79.4165.3000106.8K1055 E1056I1053-K1055 HydrophobicContact CG2-CB 3.57Å; I1053-K1055 PolarHBondContact O-N 2.97Å; I1053-E1056 HydrophobicContact CG2-CG 4.44Å
1054N32.7Very low30.7Very low172 Ų172145 Ų14592%0.9276%0.757SS**THydrogen-bonded Turntrans-68.891.2141-82.1-26.7000105.6
1055K37.9Very low30.8Very low138 Ų138143.5 Ų143.560%0.675%0.751SS**THydrogen-bonded Turntrans-167.51.6170.5-116.9172.8-169-174.80116I1053 S1057 E1058I1053-K1055 HydrophobicContact CG2-CB 3.57Å; I1053-K1055 PolarHBondContact O-N 2.97Å; K1055-S1057 VanDerWaalsContact C-N 3.26Å; K1055-S1057 PolarHBondContact O-N 3.43Å; K1055-E1058 PolarHBondContact O-N 3.35Å
1056E29.5Very low30.9Very low163 Ų163142.1 Ų142.176%0.76274%0.744SS**THydrogen-bonded Turntrans-79-2.3179.1-74.5-173.615200114.8I1053I1053-E1056 HydrophobicContact CG2-CG 4.44Å
1057S35.8Very low30.7Very low112 Ų112142.5 Ų142.578%0.78375%0.747SS**THydrogen-bonded Turntrans-85.3-3.3171.245.50000115.1K1055K1055-S1057 VanDerWaalsContact C-N 3.26Å; K1055-S1057 PolarHBondContact O-N 3.43Å
1058E36.5Very low31Very low140 Ų140144.1 Ų144.165%0.65474%0.743SS**SBendtrans-107.2-8.3-179.1-77.4-176.3155.200115.2K1055K1055-E1058 PolarHBondContact O-N 3.35Å
1059I31.9Very low31Very low120 Ų120141.6 Ų141.662%0.61574%0.736SS**G310 helixtrans-88.5-11.4-177.3-59.9176.8000112.5Q1061I1059-Q1061 VanDerWaalsContact C-N 3.28Å; I1059-Q1061 PolarHBondContact O-N 3.28Å
1060L33.7Very low30.9Very low153 Ų153141.7 Ų141.780%0.80174%0.737SS**G310 helixtrans-76.23-179.8-93.2150.1000115.8
1061Q36.5Very low31.3Very low172 Ų172138.5 Ų138.580%0.80473%0.727SS**G310 helixtrans-109.9-10.6178.8-78.3-176.1-10.500115.9I1059I1059-Q1061 VanDerWaalsContact C-N 3.28Å; I1059-Q1061 PolarHBondContact O-N 3.28Å
1062N32.2Very low31.5Very low135 Ų135141.2 Ų141.272%0.72273%0.725SS**SBendtrans-103.92.2-171.4-85.8-20.9000116.8
1063Y29.8Very low31.6Very low191 Ų191138.5 Ų138.575%0.74971%0.71SS**SBendtrans-92.13.2179.9-100.9-86.3000115.6S1065Y1063-S1065 PolarHBondContact O-N 3.48Å
1064N30.3Very low31.9Very low162 Ų162137.8 Ų137.887%0.86671%0.708SS**THydrogen-bonded Turntrans-91.218.7-175.8-85.9-23.9000116.3
1065S28.6Very low32.2Very low95 Ų95135.7 Ų135.766%0.66470%0.696SS**THydrogen-bonded Turntrans-135.412.6-174.858.60000117.1Y1063 Q1067Y1063-S1065 PolarHBondContact O-N 3.48Å; S1065-Q1067 VanDerWaalsContact C-N 3.26Å; S1065-Q1067 PolarHBondContact O-N 2.94Å
1066I28.1Very low32.5Very low115 Ų115134 Ų13459%0.5969%0.692SS**  trans-88.868.3176.8-64.8-178.6000109.3Y1068I1066-Y1068 HydrophobicContact CB-CD2 4.09Å; I1066-Y1068 HydrophobicContact CB-CE2 4.24Å; I1066-Y1068 HydrophobicContact CG1-CE2 4.32Å; I1066-Y1068 HydrophobicContact CG2-CD2 3.21Å; I1066-Y1068 HydrophobicContact CG2-CE2 3.58Å; I1066-Y1068 HydrophobicContact CG2-CG 4.3Å; I1066-Y1068 PolarHBondContact O-N 2.9Å
1067Q25.3Very low33.2Very low191 Ų191131.1 Ų131.189%0.89368%0.677SS**  trans-68.895.1156.2-82.3-175-19.800108S1065S1065-Q1067 VanDerWaalsContact C-N 3.26Å; S1065-Q1067 PolarHBondContact O-N 2.94Å
1068Y29.5Very low34.2Very low182 Ų182129.4 Ų129.471%0.71466%0.662SS**  trans-111.597.9167.6-81.1-97.6000110.3I1066 N1070I1066-Y1068 HydrophobicContact CB-CD2 4.09Å; I1066-Y1068 HydrophobicContact CB-CE2 4.24Å; I1066-Y1068 HydrophobicContact CG1-CE2 4.32Å; I1066-Y1068 HydrophobicContact CG2-CD2 3.21Å; I1066-Y1068 HydrophobicContact CG2-CE2 3.58Å; I1066-Y1068 HydrophobicContact CG2-CG 4.3Å; I1066-Y1068 PolarHBondContact O-N 2.9Å; Y1068-N1070 PolarHBondContact O-N 3.15Å
1069S26.9Very low35.3Very low85 Ų85127.9 Ų127.959%0.59466%0.659SS**  trans11.7102146.2450000116.5S1071S1069-S1071 PolarHBondContact O-N 3.34Å
1070N29.1Very low36.7Very low148 Ų148124.8 Ų124.879%0.79165%0.645SS**THydrogen-bonded Turntrans-64.89.2-177.6-102.3-25.3000117.6Y1068Y1068-N1070 PolarHBondContact O-N 3.15Å
1071S34.7Very low38.2Very low87 Ų87119.3 Ų119.361%0.60862%0.616SS**THydrogen-bonded Turntrans-100.6-30.4-177.145.10000114.4S1069S1069-S1071 PolarHBondContact O-N 3.34Å
1072N32.5Very low39.8Very low122 Ų122115.2 Ų115.265%0.65260%0.599SS**THydrogen-bonded Turntrans-91.2-21-176.7-79.3-12.1000114.4N1074N1072-N1074 PolarHBondContact O-N 3.4Å
1073M32.5Very low41.7Very low108 Ų108116.3 Ų116.353%0.53259%0.593SS.*Hα-helixtrans-73.1-25-179.2-98.8-73.5-109.500114.1I1076 K1077M1073-I1076 PolarHBondContact O-N 2.88Å; M1073-K1077 WeakPolarHBondContact O-CB 3.43Å; M1073-K1077 PolarHBondContact O-N 3.29Å
1074N37Very low43.8Very low102 Ų102107.7 Ų107.755%0.54556%0.56SS.*Hα-helixtrans-71.9-30-179-79-17.4000113.2N1072 T1078N1072-N1074 PolarHBondContact O-N 3.4Å; N1074-T1078 PolarHBondContact O-N 2.79Å; N1074-T1078 PolarHBondContact O-OG1 2.81Å
1075L37.1Very low45.9Very low128 Ų128103 Ų10367%0.6753%0.534SS*.Hα-helixtrans-75.8-32.9172.2-94.798.9000112.6T1078 N1079L1075-T1078 WeakPolarHBondContact CA-OG1 3.37Å; L1075-T1078 PolarHBondContact O-OG1 3.02Å; L1075-T1078 VanDerWaalsContact O-OG1 3.05Å; L1075-N1079 PolarHBondContact O-N 3.47Å
1076I44.5Very low48.3Very low102 Ų102104.5 Ų104.552%0.52354%0.535SS..Hα-helixtrans-73.9-39.8177.9-59.7172000110.1M1073 T1078 N1079 V1080M1073-I1076 PolarHBondContact O-N 2.88Å; I1076-T1078 VanDerWaalsContact C-N 3.32Å; I1076-T1078 PolarHBondContact O-N 3.41Å; I1076-N1079 PolarHBondContact O-N 2.82Å; I1076-V1080 HydrophobicContact CG2-CG2 4.3Å; I1076-V1080 VanDerWaalsContact O-CG2 3.28Å; I1076-V1080 WeakPolarHBondContact O-CG2 3.44Å; I1076-V1080 PolarHBondContact O-N 2.52Å; I1076-V1080 VanDerWaalsContact O-N 3.11Å
1077K44.9Very low50.9Low104 Ų104104.3 Ų104.345%0.45253%0.532SS..Hα-helixtrans-58.6-40.2173.6-87.8-176171.1-177.20112.8M1073 M1081M1073-K1077 WeakPolarHBondContact O-CB 3.43Å; M1073-K1077 PolarHBondContact O-N 3.29Å; K1077-M1081 WeakPolarHBondContact O-CB 3.34Å; K1077-M1081 WeakPolarHBondContact O-CG 3.47Å; K1077-M1081 PolarHBondContact O-N 2.87Å; K1077-M1081 VanDerWaalsContact O-N 3.13Å
1078T56.3Low53.7Low76 Ų7696.1 Ų96.147%0.46650%0.495SS..Hα-helixtrans-73.3-41.9-178.835.40000112.5N1074 L1075 I1076 N1082N1074-T1078 PolarHBondContact O-N 2.79Å; N1074-T1078 PolarHBondContact O-OG1 2.81Å; L1075-T1078 WeakPolarHBondContact CA-OG1 3.37Å; L1075-T1078 PolarHBondContact O-OG1 3.02Å; L1075-T1078 VanDerWaalsContact O-OG1 3.05Å; I1076-T1078 VanDerWaalsContact C-N 3.32Å; I1076-T1078 PolarHBondContact O-N 3.41Å; T1078-N1082 WeakPolarHBondContact O-CB 3.33Å; T1078-N1082 PolarHBondContact O-N 2.85Å; T1078-N1082 PolarHBondContact O-ND2 2.84Å; T1078-N1082 PolarHBondContact O-OD1 3.45Å
1079N59.7Low56.6Low108 Ų10888.1 Ų88.158%0.57846%0.464SS*.Hα-helixtrans-69-35.3178.3-97.4-12.6000113.6L1075 I1076 R1083L1075-N1079 PolarHBondContact O-N 3.47Å; I1076-N1079 PolarHBondContact O-N 2.82Å; N1079-R1083 PolarHBondContact O-N 2.92Å
1080V61.5Low59.5Low54 Ų5487.1 Ų87.133%0.32745%0.447SS..Hα-helixtrans-72.2-44.3177.9176.70000110.9Y974 I1076 N1082 R1083 L1084Y974-V1080 HydrophobicContact CD1-CG1 3.83Å; Y974-V1080 HydrophobicContact CE1-CG1 3.31Å; I1076-V1080 HydrophobicContact CG2-CG2 4.3Å; I1076-V1080 VanDerWaalsContact O-CG2 3.28Å; I1076-V1080 WeakPolarHBondContact O-CG2 3.44Å; I1076-V1080 PolarHBondContact O-N 2.52Å; I1076-V1080 VanDerWaalsContact O-N 3.11Å; V1080-N1082 PolarHBondContact O-N 3.26Å; V1080-R1083 PolarHBondContact O-N 3.33Å; V1080-L1084 PolarHBondContact O-N 2.9Å
1081M66.3Low62.3Low39 Ų3980.3 Ų80.319%0.19241%0.411CS..Hα-helixtrans-61.4-43175.7-87.1-67.4-154.100112.3L967 E971 K1077 R1083 L1084 I1085L967-M1081 HydrophobicContact CD2-CE 3.94Å; L967-M1081 HydrophobicContact CG-CE 4.29Å; E971-M1081 HydrophobicContact CB-CE 3.99Å; E971-M1081 HydrophobicContact CG-CE 3.84Å; E971-M1081 VanDerWaalsContact OE2-CE 3.24Å; E971-M1081 WeakPolarHBondContact OE2-CE 3.13Å; K1077-M1081 WeakPolarHBondContact O-CB 3.34Å; K1077-M1081 WeakPolarHBondContact O-CG 3.47Å; K1077-M1081 PolarHBondContact O-N 2.87Å; K1077-M1081 VanDerWaalsContact O-N 3.13Å; M1081-R1083 VanDerWaalsContact C-N 3.33Å; M1081-R1083 PolarHBondContact O-N 2.85Å; M1081-L1084 WeakPolarHBondContact O-CB 3.32Å; M1081-L1084 PolarHBondContact O-N 3.21Å; M1081-L1084 VanDerWaalsContact O-N 3.16Å; M1081-I1085 HydrophobicContact CB-CD1 4.46Å; M1081-I1085 WeakPolarHBondContact O-CB 3.44Å; M1081-I1085 VanDerWaalsContact O-CG1 3.25Å; M1081-I1085 WeakPolarHBondContact O-CG1 3.26Å; M1081-I1085 PolarHBondContact O-N 3.49Å
1082N69.7Low65Low85 Ų8576.1 Ų76.146%0.45538%0.382SS..Hα-helixtrans-61.9-39.9-179-73.7-10000112.1T1078 V1080 L1084 I1085 D1086T1078-N1082 WeakPolarHBondContact O-CB 3.33Å; T1078-N1082 PolarHBondContact O-N 2.85Å; T1078-N1082 PolarHBondContact O-ND2 2.84Å; T1078-N1082 PolarHBondContact O-OD1 3.45Å; V1080-N1082 PolarHBondContact O-N 3.26Å; N1082-L1084 VanDerWaalsContact C-N 3.34Å; N1082-L1084 PolarHBondContact O-N 3.14Å; N1082-I1085 PolarHBondContact O-N 2.92Å; N1082-D1086 WeakPolarHBondContact O-CB 3.43Å; N1082-D1086 PolarHBondContact O-N 3.26Å
1083R71.5Confident67.8Low158 Ų15871.7 Ų71.760%0.59636%0.358SS*.Hα-helixtrans-65.7-37.4175.8-72.5-174.8-171.3-177.73.2112.9N1079 V1080 M1081 Q1087N1079-R1083 PolarHBondContact O-N 2.92Å; V1080-R1083 PolarHBondContact O-N 3.33Å; M1081-R1083 VanDerWaalsContact C-N 3.33Å; M1081-R1083 PolarHBondContact O-N 2.85Å; R1083-Q1087 PolarHBondContact O-N 3.06Å
1084L73.6Confident70.6Confident11 Ų1166.5 Ų66.56%0.05833%0.332CS..Hα-helixtrans-69.4-36.6-179.7-136.7157.4000111.4Y974 I998 M1002 V1080 M1081 N1082 P1088Y974-L1084 HydrophobicContact CD1-CD1 3.75Å; Y974-L1084 HydrophobicContact CD2-CD1 3.38Å; Y974-L1084 HydrophobicContact CD2-CG 3.89Å; Y974-L1084 HydrophobicContact CE1-CD1 4.27Å; Y974-L1084 HydrophobicContact CE2-CD1 3.93Å; Y974-L1084 HydrophobicContact CE2-CG 4.21Å; Y974-L1084 HydrophobicContact CG-CD1 3.26Å; Y974-L1084 HydrophobicContact CG-CG 4.26Å; I998-L1084 HydrophobicContact CG2-CD2 3.45Å; I998-L1084 VanDerWaalsContact CG2-CD2 3.45Å; I998-L1084 HydrophobicContact CG2-CG 4.41Å; M1002-L1084 HydrophobicContact CG-CD2 4.04Å; M1002-L1084 HydrophobicContact SD-CD2 4.23Å; V1080-L1084 PolarHBondContact O-N 2.9Å; M1081-L1084 WeakPolarHBondContact O-CB 3.32Å; M1081-L1084 PolarHBondContact O-N 3.21Å; M1081-L1084 VanDerWaalsContact O-N 3.16Å; N1082-L1084 VanDerWaalsContact C-N 3.34Å; N1082-L1084 PolarHBondContact O-N 3.14Å; L1084-P1088 WeakPolarHBondContact O-CA 3.31Å
1085I75.2Confident73.2Confident62 Ų6263 Ų6332%0.31831%0.312SS..Hα-helixtrans-74.8-37.7174.9-65165.6000111.4M1002 Y1006 M1081 N1082M1002-I1085 HydrophobicContact CE-CB 4.44Å; M1002-I1085 HydrophobicContact CE-CG1 3.85Å; Y1006-I1085 PolarHBondContact OH-O 2.82Å; M1081-I1085 HydrophobicContact CB-CD1 4.46Å; M1081-I1085 WeakPolarHBondContact O-CB 3.44Å; M1081-I1085 VanDerWaalsContact O-CG1 3.25Å; M1081-I1085 WeakPolarHBondContact O-CG1 3.26Å; M1081-I1085 PolarHBondContact O-N 3.49Å; N1082-I1085 PolarHBondContact O-N 2.92Å
1086D78Confident75.9Confident127 Ų12757.4 Ų57.468%0.67928%0.282SS*.Hα-helixtrans-82-34.7-176.3-75.6-19.6000113.4N1082N1082-D1086 WeakPolarHBondContact O-CB 3.43Å; N1082-D1086 PolarHBondContact O-N 3.26Å
1087Q82.3Confident78.2Confident111 Ų11152.6 Ų52.652%0.51926%0.257SS..  trans-138.664-174.8-64.2-172.9-14.100112.5R1083 W1089 R1090R1083-Q1087 PolarHBondContact O-N 3.06Å; Q1087-W1089 PolarHBondContact O-N 3.49Å; Q1087-W1089 VanDerWaalsContact O-N 3.14Å; Q1087-R1090 HydrophobicContact CB-CB 4.1Å; Q1087-R1090 PolarHBondContact O-N 2.64Å
1088P84.3Confident80.4Confident19 Ų1948 Ų4812%0.12324%0.238CC..THydrogen-bonded Turntrans-59.9-31-172.120.9-31.7000113.7M1002 L1084M1002-P1088 HydrophobicContact CB-CB 4.15Å; M1002-P1088 HydrophobicContact CG-CB 4.34Å; L1084-P1088 WeakPolarHBondContact O-CA 3.31Å
1089W90.2Very high82.2Confident15 Ų1547.1 Ų47.16%0.05723%0.229CC..THydrogen-bonded Turntrans-89.3-9.8-175-62.5100.9000114.9V996 L1000 E1003 Q1087 G1091 A1092 E1093 T1225 C1226 C1244V996-W1089 HydrophobicContact CB-CZ3 4.5Å; V996-W1089 HydrophobicContact CG1-CZ3 4.21Å; V996-W1089 HydrophobicContact CG2-CZ3 4.48Å; L1000-W1089 HydrophobicContact CD2-CH2 3.93Å; L1000-W1089 HydrophobicContact CG-CH2 4.02Å; E1003-W1089 HydrophobicContact CG-CZ2 4.08Å; Q1087-W1089 PolarHBondContact O-N 3.49Å; Q1087-W1089 VanDerWaalsContact O-N 3.14Å; W1089-G1091 VanDerWaalsContact C-N 3.3Å; W1089-G1091 PolarHBondContact O-N 2.93Å; W1089-A1092 WeakPolarHBondContact O-CB 3.48Å; W1089-A1092 PolarHBondContact O-N 3.46Å; W1089-E1093 PolarHBondContact O-N 2.65Å; W1089-T1225 HydrophobicContact CH2-CG2 4.32Å; W1089-T1225 HydrophobicContact CZ2-CG2 4.02Å; W1089-C1226 HydrophobicContact CD2-CB 3.63Å; W1089-C1226 HydrophobicContact CE3-CB 3.89Å; W1089-C1226 HydrophobicContact CG-CB 4.12Å; W1089-C1226 HydrophobicContact CH2-CB 4.19Å; W1089-C1226 HydrophobicContact CZ2-CB 3.95Å; W1089-C1226 HydrophobicContact CZ3-CB 4.16Å; W1089-C1244 HydrophobicContact CE3-CB 4.32Å; W1089-C1244 HydrophobicContact CH2-CB 3.46Å; W1089-C1244 VanDerWaalsContact CH2-CB 3.46Å; W1089-C1244 HydrophobicContact CZ2-CB 4.4Å; W1089-C1244 HydrophobicContact CZ3-CB 3.4Å; W1089-C1244 VanDerWaalsContact CZ3-CB 3.4Å
1090R89.7Confident83.8Confident63 Ų6343 Ų4324%0.23821%0.207CC..Hα-helixtrans-62.8-33.6-169.9-168.8165.8171.9-96.5-2.3113.5Q1087 A1094 D1122 Y1123 D1125 I1126Q1087-R1090 HydrophobicContact CB-CB 4.1Å; Q1087-R1090 PolarHBondContact O-N 2.64Å; R1090-A1094 PolarHBondContact O-N 3.06Å; R1090-A1094 VanDerWaalsContact O-N 3.15Å; R1090-D1122 PolarHBondContact NH2-O 2.9Å; R1090-Y1123 HydrophobicContact CG-CD1 4.09Å; R1090-Y1123 HydrophobicContact CG-CE1 3.82Å; R1090-D1125 IonicContact CZ-OD1 2.72Å; R1090-D1125 VanDerWaalsContact CZ-OD1 3.3Å; R1090-D1125 IonicContact CZ-OD2 2.68Å; R1090-D1125 VanDerWaalsContact NH1-CG 3.27Å; R1090-D1125 IonicContact NH1-OD1 2.76Å; R1090-D1125 PolarHBondContact NH1-OD1 3.45Å; R1090-D1125 IonicContact NH1-OD2 2.7Å; R1090-D1125 PolarHBondContact NH1-OD2 3.12Å; R1090-D1125 IonicContact NH2-OD1 3.92Å; R1090-D1125 PolarHBondContact NH2-OD1 3.35Å; R1090-D1125 IonicContact NH2-OD2 3.3Å; R1090-I1126 HydrophobicContact CB-CD1 4.4Å; R1090-I1126 HydrophobicContact CG-CD1 3.89Å
1091G87.8Confident85.3Confident5 Ų540.5 Ų40.55%0.05219%0.191CC..Hα-helixtrans-67.3-41.2173.600000113.1W1089 E1093 Y1095W1089-G1091 VanDerWaalsContact C-N 3.3Å; W1089-G1091 PolarHBondContact O-N 2.93Å; G1091-E1093 VanDerWaalsContact C-N 3.33Å; G1091-Y1095 WeakPolarHBondContact O-CD2 3.43Å; G1091-Y1095 PolarHBondContact O-N 3.42Å
1092A91Very high86.4Confident0 Ų041.4 Ų41.40%020%0.197CC..Hα-helixtrans-66.5-39.1177.100000111.2Y995 V996 W1089 H1096 L1243Y995-A1092 VanDerWaalsContact CB-N 3.34Å; V996-A1092 HydrophobicContact CG2-CB 3.73Å; W1089-A1092 WeakPolarHBondContact O-CB 3.48Å; W1089-A1092 PolarHBondContact O-N 3.46Å; A1092-H1096 WeakPolarHBondContact O-CB 3.17Å; A1092-H1096 PolarHBondContact O-N 2.98Å; A1092-L1243 HydrophobicContact CB-CD1 3.96Å
1093E91.1Very high87.5Confident28 Ų2844 Ų4413%0.13120%0.204CC..Hα-helixtrans-63.6-44.5178.8-172.3174.5-15500112.2W1089 G1091 Y1095 H1096 Y1097 Y1123 H1228W1089-E1093 PolarHBondContact O-N 2.65Å; G1091-E1093 VanDerWaalsContact C-N 3.33Å; E1093-Y1095 PolarHBondContact O-N 2.58Å; E1093-H1096 WeakPolarHBondContact O-CB 3.42Å; E1093-H1096 PolarHBondContact O-N 3.06Å; E1093-Y1097 HydrophobicContact CG-CD2 3.79Å; E1093-Y1097 HydrophobicContact CG-CE2 3.21Å; E1093-Y1097 WeakPolarHBondContact O-CD2 3.47Å; E1093-Y1097 PolarHBondContact O-N 2.69Å; E1093-Y1097 VanDerWaalsContact OE1-CE2 3.31Å; E1093-Y1097 WeakPolarHBondContact OE1-CE2 3.38Å; E1093-Y1097 PolarHBondContact OE1-OH 3Å; E1093-Y1123 HydrophobicContact CB-CE1 4.32Å; E1093-Y1123 HydrophobicContact CG-CE1 4.24Å; E1093-Y1123 WeakPolarHBondContact CG-OH 3.28Å; E1093-Y1123 PolarHBondContact OE1-OH 3.09Å; E1093-Y1123 PolarHBondContact OE2-OH 3.37Å; E1093-H1228 IonicContact OE1-CD2 3.55Å; E1093-H1228 PolarHBondContact OE1-CD2 3.49Å; E1093-H1228 IonicContact OE1-NE2 3.43Å; E1093-H1228 PolarHBondContact OE1-NE2 3.34Å; E1093-H1228 IonicContact OE2-NE2 2.68Å; E1093-H1228 PolarHBondContact OE2-NE2 2.87Å
1094A90.8Very high88.5Confident0 Ų037 Ų370%018%0.178CC..Hα-helixtrans-56.8-51.2177.900000112.8R1090 H1096 Y1097 I1098 Y1123 I1126 L1127R1090-A1094 PolarHBondContact O-N 3.06Å; R1090-A1094 VanDerWaalsContact O-N 3.15Å; A1094-H1096 VanDerWaalsContact C-N 3.34Å; A1094-Y1097 PolarHBondContact O-N 3.43Å; A1094-I1098 PolarHBondContact O-N 3.14Å; A1094-Y1123 HydrophobicContact CB-CD1 3.55Å; A1094-Y1123 HydrophobicContact CB-CE1 4.28Å; A1094-Y1123 HydrophobicContact CB-CG 3.77Å; A1094-I1126 HydrophobicContact CB-CB 4.38Å; A1094-I1126 HydrophobicContact CB-CD1 4.48Å; A1094-I1126 HydrophobicContact CB-CG2 4.12Å; A1094-L1127 HydrophobicContact CB-CD1 3.87Å; A1094-L1127 HydrophobicContact CB-CD2 4.42Å; A1094-L1127 HydrophobicContact CB-CG 4.01Å
1095Y91.6Very high89.4Confident28 Ų2837.6 Ų37.611%0.1118%0.181CC..Hα-helixtrans-71.5-29.9178.2-76.1-84.4000112.3P988 M991 Y995 G1091 E1093 I1098 M1099 I1126 L1127P988-Y1095 HydrophobicContact CB-CD1 4.03Å; M991-Y1095 HydrophobicContact CB-CD1 3.78Å; M991-Y1095 HydrophobicContact CB-CD2 3.94Å; M991-Y1095 HydrophobicContact CB-CE1 3.59Å; M991-Y1095 HydrophobicContact CB-CE2 3.78Å; M991-Y1095 HydrophobicContact CB-CG 3.94Å; M991-Y1095 HydrophobicContact CE-CE2 4.47Å; M991-Y1095 WeakPolarHBondContact CE-OH 3.48Å; M991-Y1095 HydrophobicContact CG-CD1 4.5Å; M991-Y1095 HydrophobicContact CG-CE1 3.89Å; M991-Y1095 HydrophobicContact CG-CE2 4.47Å; Y995-Y1095 HydrophobicContact CD2-CD2 4.13Å; Y995-Y1095 HydrophobicContact CD2-CE2 4.26Å; Y995-Y1095 HydrophobicContact CE2-CD2 4.11Å; Y995-Y1095 AromaticContact CE2-CE2 3.78Å; Y995-Y1095 HydrophobicContact CE2-CE2 3.78Å; G1091-Y1095 WeakPolarHBondContact O-CD2 3.43Å; G1091-Y1095 PolarHBondContact O-N 3.42Å; E1093-Y1095 PolarHBondContact O-N 2.58Å; Y1095-I1098 PolarHBondContact O-N 3.09Å; Y1095-M1099 VanDerWaalsContact O-CG 3.31Å; Y1095-M1099 WeakPolarHBondContact O-CG 3.34Å; Y1095-M1099 PolarHBondContact O-N 2.81Å; Y1095-I1126 HydrophobicContact CE2-CG2 4.27Å; Y1095-L1127 HydrophobicContact CD1-CD2 4.2Å; Y1095-L1127 HydrophobicContact CD2-CD2 4.28Å; Y1095-L1127 HydrophobicContact CE1-CD2 3.93Å; Y1095-L1127 HydrophobicContact CE2-CD2 4Å; Y1095-L1127 HydrophobicContact CG-CD2 4.38Å
1096H93.7Very high90.1Very high11 Ų1144.1 Ų44.15%0.05120%0.203CC..Hα-helixtrans-60.1-50.3172.4176.697.3000111.1K992 A1092 E1093 A1094 I1098 M1099 L1100 V1209 P1242 L1243K992-H1096 HydrophobicContact CD-CB 4.09Å; K992-H1096 PolarHBondContact NZ-ND1 3.24Å; A1092-H1096 WeakPolarHBondContact O-CB 3.17Å; A1092-H1096 PolarHBondContact O-N 2.98Å; E1093-H1096 WeakPolarHBondContact O-CB 3.42Å; E1093-H1096 PolarHBondContact O-N 3.06Å; A1094-H1096 VanDerWaalsContact C-N 3.34Å; H1096-I1098 VanDerWaalsContact C-N 3.35Å; H1096-I1098 PolarHBondContact O-N 2.85Å; H1096-M1099 PolarHBondContact O-N 3.3Å; H1096-L1100 WeakPolarHBondContact O-CB 3.29Å; H1096-L1100 PolarHBondContact O-N 2.98Å; H1096-V1209 PolarHBondContact CE1-O 2.8Å; H1096-V1209 PolarHBondContact NE2-O 2.96Å; H1096-P1242 PolarHBondContact ND1-O 3.39Å; H1096-L1243 HydrophobicContact CB-CD1 3.69Å
1097Y93.3Very high90.8Very high1 Ų143.2 Ų43.20%0.00420%0.198CC..Hα-helixtrans-68-30.8-179.4-66.9-43.5000113.2E1093 A1094 L1100 T1101 T1116 L1119 Y1123 I1207E1093-Y1097 HydrophobicContact CG-CD2 3.79Å; E1093-Y1097 HydrophobicContact CG-CE2 3.21Å; E1093-Y1097 WeakPolarHBondContact O-CD2 3.47Å; E1093-Y1097 PolarHBondContact O-N 2.69Å; E1093-Y1097 VanDerWaalsContact OE1-CE2 3.31Å; E1093-Y1097 WeakPolarHBondContact OE1-CE2 3.38Å; E1093-Y1097 PolarHBondContact OE1-OH 3Å; A1094-Y1097 PolarHBondContact O-N 3.43Å; Y1097-L1100 HydrophobicContact CD1-CD2 4.45Å; Y1097-T1101 WeakPolarHBondContact O-CB 3.07Å; Y1097-T1101 PolarHBondContact O-N 2.95Å; Y1097-T1101 PolarHBondContact O-OG1 2.89Å; Y1097-T1116 HydrophobicContact CD1-CG2 4.22Å; Y1097-L1119 HydrophobicContact CD1-CD1 4.3Å; Y1097-L1119 HydrophobicContact CD2-CB 4.41Å; Y1097-L1119 HydrophobicContact CD2-CD1 4.47Å; Y1097-L1119 HydrophobicContact CE1-CD1 4.23Å; Y1097-L1119 HydrophobicContact CE2-CD1 4.36Å; Y1097-L1119 HydrophobicContact CG-CD1 4.46Å; Y1097-Y1123 AromaticContact CD2-CE2 3.92Å; Y1097-Y1123 HydrophobicContact CD2-CE2 3.92Å; Y1097-Y1123 HydrophobicContact CE2-CE2 4.19Å; Y1097-I1207 HydrophobicContact CE1-CG2 4.35Å
1098I91.8Very high91.1Very high8 Ų839.7 Ų39.74%0.04119%0.191CC..Hα-helixtrans-59.1-52.3168.6-83.6-177.5000110.2P988 A1094 Y1095 H1096 L1100 T1101 I1102 L1120 L1127 I1131P988-I1098 HydrophobicContact CB-CG2 4.38Å; P988-I1098 HydrophobicContact CG-CG2 4.48Å; A1094-I1098 PolarHBondContact O-N 3.14Å; Y1095-I1098 PolarHBondContact O-N 3.09Å; H1096-I1098 VanDerWaalsContact C-N 3.35Å; H1096-I1098 PolarHBondContact O-N 2.85Å; I1098-L1100 VanDerWaalsContact C-N 3.32Å; I1098-L1100 PolarHBondContact O-N 2.82Å; I1098-T1101 PolarHBondContact O-N 2.85Å; I1098-I1102 HydrophobicContact CG2-CD1 3.79Å; I1098-I1102 WeakPolarHBondContact O-CG1 3.22Å; I1098-I1102 PolarHBondContact O-N 2.85Å; I1098-L1120 HydrophobicContact CG1-CD1 3.64Å; I1098-L1120 HydrophobicContact CG1-CD2 3.91Å; I1098-L1120 HydrophobicContact CG1-CG 4.46Å; I1098-L1127 HydrophobicContact CD1-CD1 3.49Å; I1098-L1127 VanDerWaalsContact CD1-CD1 3.49Å; I1098-L1127 HydrophobicContact CD1-CD2 3.51Å; I1098-L1127 HydrophobicContact CD1-CG 4.01Å; I1098-L1127 HydrophobicContact CG1-CD1 3.86Å; I1098-I1131 HydrophobicContact CD1-CG2 4.31Å
1099M92.4Very high91.4Very high57 Ų5742.8 Ų42.828%0.28121%0.207SC..Hα-helixtrans-64.2-39.2-177.9-71.4174.368.200111.8P988 L989 K992 Y1095 H1096 I1102 K1103P988-M1099 HydrophobicContact CB-CG 3.96Å; P988-M1099 HydrophobicContact CB-SD 4.49Å; L989-M1099 HydrophobicContact CB-CE 3.91Å; L989-M1099 HydrophobicContact CB-SD 4.2Å; L989-M1099 HydrophobicContact CD1-CE 3.65Å; L989-M1099 HydrophobicContact CD1-SD 4.3Å; L989-M1099 HydrophobicContact CG-CE 4.29Å; K992-M1099 HydrophobicContact CB-SD 4.42Å; K992-M1099 HydrophobicContact CD-SD 3.92Å; Y1095-M1099 VanDerWaalsContact O-CG 3.31Å; Y1095-M1099 WeakPolarHBondContact O-CG 3.34Å; Y1095-M1099 PolarHBondContact O-N 2.81Å; H1096-M1099 PolarHBondContact O-N 3.3Å; M1099-I1102 PolarHBondContact O-N 2.8Å; M1099-K1103 WeakPolarHBondContact O-CB 3.4Å; M1099-K1103 PolarHBondContact O-N 2.82Å
1100L93.1Very high91.4Very high22 Ų2245.6 Ų45.612%0.11522%0.219CC..Hα-helixtrans-65.1-44.1177.4-175.160000111.2H1096 Y1097 I1098 I1102 K1103 Q1104 T1116 V1210H1096-L1100 WeakPolarHBondContact O-CB 3.29Å; H1096-L1100 PolarHBondContact O-N 2.98Å; Y1097-L1100 HydrophobicContact CD1-CD2 4.45Å; I1098-L1100 VanDerWaalsContact C-N 3.32Å; I1098-L1100 PolarHBondContact O-N 2.82Å; L1100-I1102 PolarHBondContact O-N 3.09Å; L1100-K1103 PolarHBondContact O-N 2.87Å; L1100-Q1104 HydrophobicContact CD1-CG 4.37Å; L1100-Q1104 WeakPolarHBondContact O-CB 3.43Å; L1100-Q1104 VanDerWaalsContact O-CG 3.23Å; L1100-Q1104 WeakPolarHBondContact O-CG 3.42Å; L1100-Q1104 PolarHBondContact O-N 2.94Å; L1100-T1116 HydrophobicContact CB-CG2 4.25Å; L1100-T1116 HydrophobicContact CD2-CG2 3.98Å; L1100-T1116 HydrophobicContact CG-CG2 4.12Å; L1100-V1210 WeakPolarHBondContact CD1-O 3.33Å
1101T93.5Very high91.3Very high0 Ų047 Ų470%023%0.231CC..Hα-helixtrans-58-49174.7-59.40000111.1Y1097 I1098 K1103 Q1104 L1105 A1113 T1116 V1117Y1097-T1101 WeakPolarHBondContact O-CB 3.07Å; Y1097-T1101 PolarHBondContact O-N 2.95Å; Y1097-T1101 PolarHBondContact O-OG1 2.89Å; I1098-T1101 PolarHBondContact O-N 2.85Å; T1101-K1103 PolarHBondContact O-N 3.05Å; T1101-Q1104 PolarHBondContact O-N 2.88Å; T1101-L1105 HydrophobicContact CG2-CD1 4.36Å; T1101-L1105 PolarHBondContact O-N 2.85Å; T1101-A1113 HydrophobicContact CG2-CB 4.46Å; T1101-T1116 WeakPolarHBondContact OG1-CG2 3.41Å; T1101-V1117 HydrophobicContact CG2-CB 3.65Å; T1101-V1117 HydrophobicContact CG2-CG2 3.82Å
1102I90Very high91.4Very high59 Ų5951.8 Ų51.830%0.30325%0.249SC..Hα-helixtrans-61.5-44.5179.1-67.7168.8000110.5I1098 M1099 L1100 Q1104 L1105 Y1106 L1135I1098-I1102 HydrophobicContact CG2-CD1 3.79Å; I1098-I1102 WeakPolarHBondContact O-CG1 3.22Å; I1098-I1102 PolarHBondContact O-N 2.85Å; M1099-I1102 PolarHBondContact O-N 2.8Å; L1100-I1102 PolarHBondContact O-N 3.09Å; I1102-Q1104 PolarHBondContact O-N 2.9Å; I1102-L1105 WeakPolarHBondContact O-CB 3.47Å; I1102-L1105 PolarHBondContact O-N 3Å; I1102-Y1106 HydrophobicContact CG2-CD2 3.67Å; I1102-Y1106 HydrophobicContact CG2-CE2 3.6Å; I1102-Y1106 VanDerWaalsContact O-CD2 3.27Å; I1102-Y1106 WeakPolarHBondContact O-CD2 3.08Å; I1102-Y1106 PolarHBondContact O-N 3.23Å; I1102-L1135 HydrophobicContact CG1-CD2 4.29Å
1103K92.3Very high91.3Very high138 Ų13851.8 Ų51.860%0.625%0.249SC*.Hα-helixtrans-62.9-40.7177.8-171175.7-179.1179.90112.1M1099 L1100 T1101 Y1106 N1107M1099-K1103 WeakPolarHBondContact O-CB 3.4Å; M1099-K1103 PolarHBondContact O-N 2.82Å; L1100-K1103 PolarHBondContact O-N 2.87Å; T1101-K1103 PolarHBondContact O-N 3.05Å; K1103-Y1106 PolarHBondContact O-N 3.44Å; K1103-N1107 WeakPolarHBondContact O-CB 3.26Å; K1103-N1107 PolarHBondContact O-N 3.38Å
1104Q93.8Very high91.3Very high12 Ų1251.1 Ų51.16%0.05625%0.246CC..Hα-helixtrans-65.9-39.7176.5-72.3169.3-1200111.9L1100 T1101 I1102 N1107 G1108 L1109 Y1112 A1113 T1116 T1211L1100-Q1104 HydrophobicContact CD1-CG 4.37Å; L1100-Q1104 WeakPolarHBondContact O-CB 3.43Å; L1100-Q1104 VanDerWaalsContact O-CG 3.23Å; L1100-Q1104 WeakPolarHBondContact O-CG 3.42Å; L1100-Q1104 PolarHBondContact O-N 2.94Å; T1101-Q1104 PolarHBondContact O-N 2.88Å; I1102-Q1104 PolarHBondContact O-N 2.9Å; Q1104-N1107 PolarHBondContact O-N 2.89Å; Q1104-G1108 PolarHBondContact O-N 3.25Å; Q1104-L1109 HydrophobicContact CB-CB 4.44Å; Q1104-L1109 PolarHBondContact O-N 2.95Å; Q1104-Y1112 VanDerWaalsContact OE1-C 3.23Å; Q1104-Y1112 PolarHBondContact OE1-O 3.32Å; Q1104-A1113 HydrophobicContact CB-CB 3.72Å; Q1104-A1113 VanDerWaalsContact OE1-CA 3.3Å; Q1104-T1116 PolarHBondContact NE2-OG1 2.9Å; Q1104-T1116 PolarHBondContact OE1-OG1 2.87Å; Q1104-T1211 PolarHBondContact NE2-O 3.38Å
1105L91.3Very high91.3Very high24 Ų2452.1 Ų52.113%0.12625%0.249CC..Hα-helixtrans-58.7-50.4172.7-98.7159.9000111.8T1101 I1102 N1107 G1108 F1110 A1113 L1135 L1138 C1139 Y1142T1101-L1105 HydrophobicContact CG2-CD1 4.36Å; T1101-L1105 PolarHBondContact O-N 2.85Å; I1102-L1105 WeakPolarHBondContact O-CB 3.47Å; I1102-L1105 PolarHBondContact O-N 3Å; L1105-N1107 VanDerWaalsContact C-N 3.31Å; L1105-N1107 PolarHBondContact O-N 2.98Å; L1105-G1108 PolarHBondContact O-N 3.19Å; L1105-G1108 VanDerWaalsContact O-N 3.13Å; L1105-F1110 HydrophobicContact CD2-CD1 4.28Å; L1105-A1113 HydrophobicContact CG-CB 3.95Å; L1105-L1135 HydrophobicContact CD1-CD2 4.29Å; L1105-L1138 HydrophobicContact CD1-CD2 4.16Å; L1105-C1139 VanDerWaalsContact CD1-SG 3.51Å; L1105-Y1142 HydrophobicContact CD2-CD2 3.71Å; L1105-Y1142 HydrophobicContact CD2-CE2 4.09Å; L1105-Y1142 HydrophobicContact CD2-CG 4.48Å
1106Y90.8Very high91.2Very high199 Ų19950.8 Ų50.878%0.7824%0.244SC*.Hα-helixtrans-65.9-30.6179.4-83.1-70.1000113.5I1102 K1103 G1108I1102-Y1106 HydrophobicContact CG2-CD2 3.67Å; I1102-Y1106 HydrophobicContact CG2-CE2 3.6Å; I1102-Y1106 VanDerWaalsContact O-CD2 3.27Å; I1102-Y1106 WeakPolarHBondContact O-CD2 3.08Å; I1102-Y1106 PolarHBondContact O-N 3.23Å; K1103-Y1106 PolarHBondContact O-N 3.44Å; Y1106-G1108 PolarHBondContact O-N 3.09Å
1107N91.6Very high91Very high107 Ų10750.3 Ų50.357%0.57224%0.242SC*.THydrogen-bonded Turntrans-801.9175.8-73.2-5.5000113.5K1103 Q1104 L1105 L1109K1103-N1107 WeakPolarHBondContact O-CB 3.26Å; K1103-N1107 PolarHBondContact O-N 3.38Å; Q1104-N1107 PolarHBondContact O-N 2.89Å; L1105-N1107 VanDerWaalsContact C-N 3.31Å; L1105-N1107 PolarHBondContact O-N 2.98Å; N1107-L1109 VanDerWaalsContact C-N 3.27Å; N1107-L1109 HydrophobicContact CB-CD1 4.36Å; N1107-L1109 HydrophobicContact CB-CG 4.36Å; N1107-L1109 PolarHBondContact O-N 3.12Å
1108G88.5Confident90.8Very high37 Ų3751.9 Ų51.938%0.38125%0.249SC..THydrogen-bonded Turntrans73.712-178.700000114.7Q1104 L1105 Y1106 F1110Q1104-G1108 PolarHBondContact O-N 3.25Å; L1105-G1108 PolarHBondContact O-N 3.19Å; L1105-G1108 VanDerWaalsContact O-N 3.13Å; Y1106-G1108 PolarHBondContact O-N 3.09Å; G1108-F1110 VanDerWaalsContact C-N 3.25Å; G1108-F1110 WeakPolarHBondContact O-CD2 3.32Å; G1108-F1110 PolarHBondContact O-N 3.3Å; G1108-F1110 VanDerWaalsContact O-N 3.08Å
1109L90.8Very high90.6Very high84 Ų8452.1 Ų52.144%0.4425%0.25SS..  trans-86.960.7179.1-62.3172.1000110.5Q1104 N1107 N1111 Y1112 A1113Q1104-L1109 HydrophobicContact CB-CB 4.44Å; Q1104-L1109 PolarHBondContact O-N 2.95Å; N1107-L1109 VanDerWaalsContact C-N 3.27Å; N1107-L1109 HydrophobicContact CB-CD1 4.36Å; N1107-L1109 HydrophobicContact CB-CG 4.36Å; N1107-L1109 PolarHBondContact O-N 3.12Å; L1109-N1111 PolarHBondContact O-N 3.39Å; L1109-Y1112 PolarHBondContact O-N 3.45Å; L1109-Y1112 VanDerWaalsContact O-N 3.11Å; L1109-A1113 PolarHBondContact O-N 2.87Å
1110F90Very high90.5Very high75 Ų7549.4 Ų49.433%0.32924%0.237SC..Hα-helixtrans-59-41-168.4-52.9-57.2000113.8L1105 G1108 Y1112 A1113 F1114 Y1142 T1143L1105-F1110 HydrophobicContact CD2-CD1 4.28Å; G1108-F1110 VanDerWaalsContact C-N 3.25Å; G1108-F1110 WeakPolarHBondContact O-CD2 3.32Å; G1108-F1110 PolarHBondContact O-N 3.3Å; G1108-F1110 VanDerWaalsContact O-N 3.08Å; F1110-Y1112 PolarHBondContact O-N 3.04Å; F1110-A1113 PolarHBondContact O-N 2.95Å; F1110-F1114 WeakPolarHBondContact O-CB 3.19Å; F1110-F1114 PolarHBondContact O-N 2.7Å; F1110-Y1142 HydrophobicContact CD1-CD1 4.34Å; F1110-Y1142 AromaticContact CD1-CG 4Å; F1110-Y1142 HydrophobicContact CD1-CG 4Å; F1110-Y1142 AromaticContact CE1-CD1 3.96Å; F1110-Y1142 HydrophobicContact CE1-CD1 3.96Å; F1110-Y1142 HydrophobicContact CE1-CG 4.04Å; F1110-Y1142 HydrophobicContact CZ-CD1 4.23Å; F1110-T1143 VanDerWaalsContact C-CG2 3.42Å; F1110-T1143 HydrophobicContact CB-CG2 3.74Å; F1110-T1143 WeakPolarHBondContact O-CG2 3.41Å
1111N88.4Confident90.2Very high91 Ų9152.4 Ų52.449%0.48725%0.249SC..Hα-helixtrans-64.7-38.8177.3-73.6-26.2000112.6L1109 F1114 R1115 T1143L1109-N1111 PolarHBondContact O-N 3.39Å; N1111-F1114 PolarHBondContact O-N 3.09Å; N1111-R1115 WeakPolarHBondContact O-CG 3.45Å; N1111-R1115 PolarHBondContact O-N 3.08Å; N1111-R1115 VanDerWaalsContact O-N 3.13Å; N1111-T1143 VanDerWaalsContact OD1-CG2 3.3Å; N1111-T1143 WeakPolarHBondContact OD1-CG2 3.24Å
1112Y88.8Confident89.9Confident107 Ų10758.2 Ų58.242%0.4228%0.28SS..Hα-helixtrans-67.3-44.9176-77.8-114.9000110.3Q1104 L1109 F1110 F1114 R1115 T1116 Q1213Q1104-Y1112 VanDerWaalsContact OE1-C 3.23Å; Q1104-Y1112 PolarHBondContact OE1-O 3.32Å; L1109-Y1112 PolarHBondContact O-N 3.45Å; L1109-Y1112 VanDerWaalsContact O-N 3.11Å; F1110-Y1112 PolarHBondContact O-N 3.04Å; Y1112-F1114 VanDerWaalsContact C-N 3.32Å; Y1112-F1114 PolarHBondContact O-N 2.81Å; Y1112-R1115 PolarHBondContact O-N 3.46Å; Y1112-T1116 PolarHBondContact O-N 2.76Å; Y1112-T1116 PolarHBondContact O-OG1 3.26Å; Y1112-Q1213 HydrophobicContact CD1-CG 3.87Å; Y1112-Q1213 HydrophobicContact CE1-CG 3.89Å; Y1112-Q1213 PolarHBondContact O-NE2 2.84Å
1113A90.6Very high89.8Confident0 Ų056.3 Ų56.30%027%0.269CS..Hα-helixtrans-59.8-42.5176.500000111.8T1101 Q1104 L1105 L1109 F1110 R1115 V1117T1101-A1113 HydrophobicContact CG2-CB 4.46Å; Q1104-A1113 HydrophobicContact CB-CB 3.72Å; Q1104-A1113 VanDerWaalsContact OE1-CA 3.3Å; L1105-A1113 HydrophobicContact CG-CB 3.95Å; L1109-A1113 PolarHBondContact O-N 2.87Å; F1110-A1113 PolarHBondContact O-N 2.95Å; A1113-R1115 VanDerWaalsContact C-N 3.31Å; A1113-R1115 PolarHBondContact O-N 2.92Å; A1113-V1117 WeakPolarHBondContact O-CB 3.45Å; A1113-V1117 WeakPolarHBondContact O-CG1 3.49Å; A1113-V1117 PolarHBondContact O-N 2.94Å
1114F91.2Very high89.3Confident14 Ų1451.4 Ų51.46%0.06126%0.258CS..Hα-helixtrans-64.4-33.9178-178-107.7000112.8F1110 N1111 Y1112 V1117 Q1118 C1139 A1140 T1143 N1145 A1148F1110-F1114 WeakPolarHBondContact O-CB 3.19Å; F1110-F1114 PolarHBondContact O-N 2.7Å; N1111-F1114 PolarHBondContact O-N 3.09Å; Y1112-F1114 VanDerWaalsContact C-N 3.32Å; Y1112-F1114 PolarHBondContact O-N 2.81Å; F1114-V1117 VanDerWaalsContact O-CG1 3.28Å; F1114-V1117 WeakPolarHBondContact O-CG1 3.47Å; F1114-Q1118 VanDerWaalsContact CE2-NE2 3.3Å; F1114-Q1118 VanDerWaalsContact CZ-NE2 3.26Å; F1114-Q1118 WeakPolarHBondContact O-CG 3.46Å; F1114-C1139 HydrophobicContact CB-CB 4.06Å; F1114-C1139 HydrophobicContact CD2-CB 3.9Å; F1114-C1139 HydrophobicContact CG-CB 4.5Å; F1114-A1140 HydrophobicContact CD2-CB 4.16Å; F1114-A1140 HydrophobicContact CE2-CB 3.71Å; F1114-T1143 HydrophobicContact CB-CG2 3.77Å; F1114-T1143 HydrophobicContact CG-CG2 4.34Å; F1114-N1145 HydrophobicContact CZ-CB 4.39Å; F1114-A1148 HydrophobicContact CE2-CB 3.86Å; F1114-A1148 HydrophobicContact CZ-CB 3.53Å
1115R89.5Confident88.8Confident21 Ų2154.9 Ų54.98%0.07928%0.277CS..Hα-helixtrans-75.6-47.6175.1-73.3175.3-179.9165.3-4.5112.8N1111 Y1112 A1113 V1117 Q1118 S1192 M1195 D1196 L1199N1111-R1115 WeakPolarHBondContact O-CG 3.45Å; N1111-R1115 PolarHBondContact O-N 3.08Å; N1111-R1115 VanDerWaalsContact O-N 3.13Å; Y1112-R1115 PolarHBondContact O-N 3.46Å; A1113-R1115 VanDerWaalsContact C-N 3.31Å; A1113-R1115 PolarHBondContact O-N 2.92Å; R1115-V1117 PolarHBondContact O-N 2.88Å; R1115-Q1118 WeakPolarHBondContact O-CB 3.24Å; R1115-Q1118 PolarHBondContact O-N 3.09Å; R1115-S1192 VanDerWaalsContact NH2-CA 3.33Å; R1115-S1192 PolarHBondContact NH2-O 3.5Å; R1115-S1192 VanDerWaalsContact NH2-O 3.1Å; R1115-M1195 VanDerWaalsContact CZ-CB 3.47Å; R1115-M1195 PolarHBondContact NH1-SD 2.8Å; R1115-D1196 WeakPolarHBondContact CG-OD1 3.27Å; R1115-D1196 IonicContact CZ-OD1 2.77Å; R1115-D1196 IonicContact NE-OD1 3.2Å; R1115-D1196 PolarHBondContact NE-OD1 2.83Å; R1115-D1196 IonicContact NH2-OD1 3.94Å; R1115-L1199 HydrophobicContact CB-CD1 3.67Å; R1115-L1199 HydrophobicContact CG-CD1 3.73Å
1116T89.7Confident88.5Confident0 Ų054.7 Ų54.70%028%0.276CS..Hα-helixtrans-59.5-36.8178.1-51.90000111.4Y1097 L1100 T1101 Q1104 Y1112 Q1118 L1119 T1211Y1097-T1116 HydrophobicContact CD1-CG2 4.22Å; L1100-T1116 HydrophobicContact CB-CG2 4.25Å; L1100-T1116 HydrophobicContact CD2-CG2 3.98Å; L1100-T1116 HydrophobicContact CG-CG2 4.12Å; T1101-T1116 WeakPolarHBondContact OG1-CG2 3.41Å; Q1104-T1116 PolarHBondContact NE2-OG1 2.9Å; Q1104-T1116 PolarHBondContact OE1-OG1 2.87Å; Y1112-T1116 PolarHBondContact O-N 2.76Å; Y1112-T1116 PolarHBondContact O-OG1 3.26Å; T1116-Q1118 VanDerWaalsContact C-N 3.3Å; T1116-Q1118 PolarHBondContact O-N 2.92Å; T1116-L1119 VanDerWaalsContact O-CB 3.31Å; T1116-L1119 WeakPolarHBondContact O-CB 3.43Å; T1116-L1119 PolarHBondContact O-N 2.8Å; T1116-T1211 PolarHBondContact OG1-O 2.99Å
1117V90.4Very high88.2Confident0 Ų045.7 Ų45.70%024%0.241CC..Hα-helixtrans-70.3-24179.182.20000113T1101 A1113 F1114 R1115 L1119 L1120 L1135 I1136 C1139T1101-V1117 HydrophobicContact CG2-CB 3.65Å; T1101-V1117 HydrophobicContact CG2-CG2 3.82Å; A1113-V1117 WeakPolarHBondContact O-CB 3.45Å; A1113-V1117 WeakPolarHBondContact O-CG1 3.49Å; A1113-V1117 PolarHBondContact O-N 2.94Å; F1114-V1117 VanDerWaalsContact O-CG1 3.28Å; F1114-V1117 WeakPolarHBondContact O-CG1 3.47Å; R1115-V1117 PolarHBondContact O-N 2.88Å; V1117-L1119 PolarHBondContact O-N 3.39Å; V1117-L1120 HydrophobicContact CG2-CD1 3.81Å; V1117-L1120 WeakPolarHBondContact O-CB 3.34Å; V1117-L1120 PolarHBondContact O-N 2.99Å; V1117-L1135 HydrophobicContact CG2-CB 3.6Å; V1117-I1136 HydrophobicContact CB-CG1 4.41Å; V1117-I1136 HydrophobicContact CG1-CB 4.39Å; V1117-I1136 HydrophobicContact CG1-CG1 3.86Å; V1117-I1136 HydrophobicContact CG2-CG1 3.86Å; V1117-C1139 HydrophobicContact CG1-CB 4.03Å
1118Q88.5Confident87.8Confident34 Ų3444.3 Ų44.316%0.15923%0.234CC..Hα-helixtrans-63-34.1174.5-62.8-55.6-35.600111.6F1114 R1115 T1116 L1120 K1121F1114-Q1118 VanDerWaalsContact CE2-NE2 3.3Å; F1114-Q1118 VanDerWaalsContact CZ-NE2 3.26Å; F1114-Q1118 WeakPolarHBondContact O-CG 3.46Å; R1115-Q1118 WeakPolarHBondContact O-CB 3.24Å; R1115-Q1118 PolarHBondContact O-N 3.09Å; T1116-Q1118 VanDerWaalsContact C-N 3.3Å; T1116-Q1118 PolarHBondContact O-N 2.92Å; Q1118-L1120 PolarHBondContact O-N 3.08Å; Q1118-K1121 WeakPolarHBondContact O-CB 3.34Å; Q1118-K1121 WeakPolarHBondContact O-CG 3.37Å; Q1118-K1121 PolarHBondContact O-N 3.34Å; Q1118-K1121 VanDerWaalsContact O-N 3.16Å
1119L87.8Confident87.7Confident13 Ų1344.6 Ų44.67%0.06823%0.229CC..Hα-helixtrans-60.8-28.8177.9-57.2176000112.4Y1097 T1116 V1117 K1121 D1122 Y1123 L1199 I1207Y1097-L1119 HydrophobicContact CD1-CD1 4.3Å; Y1097-L1119 HydrophobicContact CD2-CB 4.41Å; Y1097-L1119 HydrophobicContact CD2-CD1 4.47Å; Y1097-L1119 HydrophobicContact CE1-CD1 4.23Å; Y1097-L1119 HydrophobicContact CE2-CD1 4.36Å; Y1097-L1119 HydrophobicContact CG-CD1 4.46Å; T1116-L1119 VanDerWaalsContact O-CB 3.31Å; T1116-L1119 WeakPolarHBondContact O-CB 3.43Å; T1116-L1119 PolarHBondContact O-N 2.8Å; V1117-L1119 PolarHBondContact O-N 3.39Å; L1119-K1121 PolarHBondContact O-N 2.86Å; L1119-K1121 VanDerWaalsContact O-N 3.14Å; L1119-D1122 PolarHBondContact O-N 3.21Å; L1119-Y1123 VanDerWaalsContact O-CD2 3.24Å; L1119-Y1123 WeakPolarHBondContact O-CD2 3.48Å; L1119-Y1123 WeakPolarHBondContact O-CE2 3.4Å; L1119-L1199 HydrophobicContact CD2-CD2 3.34Å; L1119-L1199 HydrophobicContact CG-CD2 4.03Å; L1119-I1207 HydrophobicContact CD1-CD1 3.88Å; L1119-I1207 HydrophobicContact CD1-CG2 3.69Å; L1119-I1207 HydrophobicContact CD2-CD1 3.31Å; L1119-I1207 HydrophobicContact CD2-CG1 4.33Å; L1119-I1207 HydrophobicContact CG-CD1 4.17Å
1120L89.7Confident87.6Confident0 Ų042.5 Ų42.50%022%0.218CC..G310 helixtrans-64.6-17.6-179.7-63.4-178.4000113.2I1098 V1117 Q1118 D1122 Y1123 L1127 I1132 L1135I1098-L1120 HydrophobicContact CG1-CD1 3.64Å; I1098-L1120 HydrophobicContact CG1-CD2 3.91Å; I1098-L1120 HydrophobicContact CG1-CG 4.46Å; V1117-L1120 HydrophobicContact CG2-CD1 3.81Å; V1117-L1120 WeakPolarHBondContact O-CB 3.34Å; V1117-L1120 PolarHBondContact O-N 2.99Å; Q1118-L1120 PolarHBondContact O-N 3.08Å; L1120-D1122 PolarHBondContact O-N 2.93Å; L1120-Y1123 PolarHBondContact O-N 2.68Å; L1120-Y1123 VanDerWaalsContact O-N 3.16Å; L1120-L1127 HydrophobicContact CD2-CD1 3.89Å; L1120-I1132 HydrophobicContact CB-CG1 4.24Å; L1120-I1132 HydrophobicContact CB-CG2 3.9Å; L1120-I1132 WeakPolarHBondContact O-CD1 3.48Å; L1120-L1135 HydrophobicContact CD1-CD1 4.44Å
1121K87.1Confident87.5Confident86 Ų8643 Ų4337%0.37422%0.223SC..G310 helixtrans-58.8-31.7175.6-68.9177.1-178.9169.60112.5Q1118 L1119 Y1123 I1136Q1118-K1121 WeakPolarHBondContact O-CB 3.34Å; Q1118-K1121 WeakPolarHBondContact O-CG 3.37Å; Q1118-K1121 PolarHBondContact O-N 3.34Å; Q1118-K1121 VanDerWaalsContact O-N 3.16Å; L1119-K1121 PolarHBondContact O-N 2.86Å; L1119-K1121 VanDerWaalsContact O-N 3.14Å; K1121-Y1123 VanDerWaalsContact C-N 3.28Å; K1121-Y1123 PolarHBondContact O-N 2.86Å; K1121-I1136 HydrophobicContact CD-CD1 4.49Å; K1121-I1136 HydrophobicContact CG-CD1 3.89Å
1122D86.3Confident87.6Confident121 Ų12138.7 Ų38.765%0.64720%0.2SC*.G310 helixtrans-80.8-6.6-178.3-68.8-12.7000113.8R1090 L1119 L1120R1090-D1122 PolarHBondContact NH2-O 2.9Å; L1119-D1122 PolarHBondContact O-N 3.21Å; L1120-D1122 PolarHBondContact O-N 2.93Å
1123Y88.6Confident87.7Confident19 Ų1935.4 Ų35.48%0.07519%0.187CC..G310 helixtrans-110.521.4-177.6-58-86.8000112.7R1090 E1093 A1094 Y1097 L1119 L1120 K1121 D1125 I1126 L1127R1090-Y1123 HydrophobicContact CG-CD1 4.09Å; R1090-Y1123 HydrophobicContact CG-CE1 3.82Å; E1093-Y1123 HydrophobicContact CB-CE1 4.32Å; E1093-Y1123 HydrophobicContact CG-CE1 4.24Å; E1093-Y1123 WeakPolarHBondContact CG-OH 3.28Å; E1093-Y1123 PolarHBondContact OE1-OH 3.09Å; E1093-Y1123 PolarHBondContact OE2-OH 3.37Å; A1094-Y1123 HydrophobicContact CB-CD1 3.55Å; A1094-Y1123 HydrophobicContact CB-CE1 4.28Å; A1094-Y1123 HydrophobicContact CB-CG 3.77Å; Y1097-Y1123 AromaticContact CD2-CE2 3.92Å; Y1097-Y1123 HydrophobicContact CD2-CE2 3.92Å; Y1097-Y1123 HydrophobicContact CE2-CE2 4.19Å; L1119-Y1123 VanDerWaalsContact O-CD2 3.24Å; L1119-Y1123 WeakPolarHBondContact O-CD2 3.48Å; L1119-Y1123 WeakPolarHBondContact O-CE2 3.4Å; L1120-Y1123 PolarHBondContact O-N 2.68Å; L1120-Y1123 VanDerWaalsContact O-N 3.16Å; K1121-Y1123 VanDerWaalsContact C-N 3.28Å; K1121-Y1123 PolarHBondContact O-N 2.86Å; Y1123-D1125 PolarHBondContact O-N 3.03Å; Y1123-D1125 VanDerWaalsContact O-N 3.16Å; Y1123-I1126 PolarHBondContact O-N 2.9Å; Y1123-L1127 PolarHBondContact O-N 2.9Å
1124G82.2Confident87.7Confident35 Ų3537.8 Ų37.836%0.36120%0.204SC..THydrogen-bonded Turntrans-63.5-14.8179.800000115.3
1125D83.2Confident87.7Confident85 Ų8538.2 Ų38.246%0.45521%0.207SC..THydrogen-bonded Turntrans-85.2-12.5171.467.3-45.7000113.3R1090 Y1123R1090-D1125 IonicContact CZ-OD1 2.72Å; R1090-D1125 VanDerWaalsContact CZ-OD1 3.3Å; R1090-D1125 IonicContact CZ-OD2 2.68Å; R1090-D1125 VanDerWaalsContact NH1-CG 3.27Å; R1090-D1125 IonicContact NH1-OD1 2.76Å; R1090-D1125 PolarHBondContact NH1-OD1 3.45Å; R1090-D1125 IonicContact NH1-OD2 2.7Å; R1090-D1125 PolarHBondContact NH1-OD2 3.12Å; R1090-D1125 IonicContact NH2-OD1 3.92Å; R1090-D1125 PolarHBondContact NH2-OD1 3.35Å; R1090-D1125 IonicContact NH2-OD2 3.3Å; Y1123-D1125 PolarHBondContact O-N 3.03Å; Y1123-D1125 VanDerWaalsContact O-N 3.16Å
1126I83.9Confident87.7Confident21 Ų2137.5 Ų37.511%0.10820%0.204CC..THydrogen-bonded Turntrans-108.4-41.5177.5-55.4-178000111.2K981 R1090 A1094 Y1095 Y1123K981-I1126 WeakPolarHBondContact CE-O 3.49Å; K981-I1126 PolarHBondContact NZ-O 3.24Å; R1090-I1126 HydrophobicContact CB-CD1 4.4Å; R1090-I1126 HydrophobicContact CG-CD1 3.89Å; A1094-I1126 HydrophobicContact CB-CB 4.38Å; A1094-I1126 HydrophobicContact CB-CD1 4.48Å; A1094-I1126 HydrophobicContact CB-CG2 4.12Å; Y1095-I1126 HydrophobicContact CE2-CG2 4.27Å; Y1123-I1126 PolarHBondContact O-N 2.9Å
1127L85.5Confident87.8Confident9 Ų937.6 Ų37.65%0.04721%0.206CC..SBendtrans-106.1145.5-175.1-62.4171.5000110.7A1094 Y1095 I1098 L1120 Y1123 P1129 I1132A1094-L1127 HydrophobicContact CB-CD1 3.87Å; A1094-L1127 HydrophobicContact CB-CD2 4.42Å; A1094-L1127 HydrophobicContact CB-CG 4.01Å; Y1095-L1127 HydrophobicContact CD1-CD2 4.2Å; Y1095-L1127 HydrophobicContact CD2-CD2 4.28Å; Y1095-L1127 HydrophobicContact CE1-CD2 3.93Å; Y1095-L1127 HydrophobicContact CE2-CD2 4Å; Y1095-L1127 HydrophobicContact CG-CD2 4.38Å; I1098-L1127 HydrophobicContact CD1-CD1 3.49Å; I1098-L1127 VanDerWaalsContact CD1-CD1 3.49Å; I1098-L1127 HydrophobicContact CD1-CD2 3.51Å; I1098-L1127 HydrophobicContact CD1-CG 4.01Å; I1098-L1127 HydrophobicContact CG1-CD1 3.86Å; L1120-L1127 HydrophobicContact CD2-CD1 3.89Å; Y1123-L1127 PolarHBondContact O-N 2.9Å; L1127-P1129 WeakPolarHBondContact O-CD 3.42Å; L1127-I1132 HydrophobicContact CB-CD1 3.87Å; L1127-I1132 HydrophobicContact CB-CG1 4.07Å
1128N83.4Confident87.8Confident79 Ų7941.1 Ų41.142%0.42222%0.224SC..  trans-62.4122.9177.7-174.1-28.6000109.6L1130 I1131 I1132N1128-L1130 PolarHBondContact O-N 2.49Å; N1128-L1130 VanDerWaalsContact O-N 3.1Å; N1128-L1130 VanDerWaalsContact OD1-CB 3.31Å; N1128-L1130 WeakPolarHBondContact OD1-CB 3.24Å; N1128-L1130 PolarHBondContact OD1-N 2.94Å; N1128-I1131 HydrophobicContact CB-CD1 4.17Å; N1128-I1131 HydrophobicContact CB-CG1 4.28Å; N1128-I1131 PolarHBondContact O-N 2.8Å; N1128-I1132 PolarHBondContact O-N 2.93Å
1129P86.9Confident87.9Confident42 Ų4239.6 Ų39.627%0.27322%0.217SC..Hα-helixtrans-52-32.4178.1-28.736000114L1127 I1131 I1132 Y1133 L1159L1127-P1129 WeakPolarHBondContact O-CD 3.42Å; P1129-I1131 VanDerWaalsContact C-N 3.34Å; P1129-I1131 PolarHBondContact O-N 2.84Å; P1129-I1132 PolarHBondContact O-N 2.61Å; P1129-Y1133 HydrophobicContact CB-CD2 4.3Å; P1129-Y1133 HydrophobicContact CB-CE2 4.21Å; P1129-Y1133 WeakPolarHBondContact O-CD2 3.27Å; P1129-Y1133 PolarHBondContact O-N 2.64Å; P1129-L1159 HydrophobicContact CB-CD2 3.67Å
1130L87.5Confident88Confident40 Ų4039 Ų3921%0.20921%0.213CC..Hα-helixtrans-57.4-46.7175.5-173.972.6000111.3N1128 S1134 L1156 L1159 I1162N1128-L1130 PolarHBondContact O-N 2.49Å; N1128-L1130 VanDerWaalsContact O-N 3.1Å; N1128-L1130 VanDerWaalsContact OD1-CB 3.31Å; N1128-L1130 WeakPolarHBondContact OD1-CB 3.24Å; N1128-L1130 PolarHBondContact OD1-N 2.94Å; L1130-S1134 WeakPolarHBondContact O-CB 3.49Å; L1130-S1134 PolarHBondContact O-N 3.19Å; L1130-S1134 PolarHBondContact O-OG 3.05Å; L1130-L1156 HydrophobicContact CD1-CD2 3.81Å; L1130-L1159 HydrophobicContact CB-CD1 4.02Å; L1130-L1159 HydrophobicContact CD1-CD1 3.74Å; L1130-I1162 HydrophobicContact CD1-CD1 4.17Å; L1130-I1162 HydrophobicContact CD1-CG2 3.58Å; L1130-I1162 HydrophobicContact CD2-CG2 3.72Å; L1130-I1162 HydrophobicContact CG-CG2 4.26Å
1131I88.3Confident87.9Confident85 Ų8541.2 Ų41.244%0.43623%0.225SC..Hα-helixtrans-66.8-43.3-179.2-62174.5000110I1098 N1128 P1129 S1134 L1135I1098-I1131 HydrophobicContact CD1-CG2 4.31Å; N1128-I1131 HydrophobicContact CB-CD1 4.17Å; N1128-I1131 HydrophobicContact CB-CG1 4.28Å; N1128-I1131 PolarHBondContact O-N 2.8Å; P1129-I1131 VanDerWaalsContact C-N 3.34Å; P1129-I1131 PolarHBondContact O-N 2.84Å; I1131-S1134 PolarHBondContact O-N 2.86Å; I1131-L1135 HydrophobicContact CG2-CD1 3.94Å; I1131-L1135 WeakPolarHBondContact O-CB 3.4Å; I1131-L1135 PolarHBondContact O-N 2.98Å
1132I90.3Very high88Confident2 Ų243.1 Ų43.11%0.0123%0.231CC..Hα-helixtrans-58.7-56179.7-63165.8000110.1L1120 L1127 N1128 P1129 S1134 L1135 I1136L1120-I1132 HydrophobicContact CB-CG1 4.24Å; L1120-I1132 HydrophobicContact CB-CG2 3.9Å; L1120-I1132 WeakPolarHBondContact O-CD1 3.48Å; L1127-I1132 HydrophobicContact CB-CD1 3.87Å; L1127-I1132 HydrophobicContact CB-CG1 4.07Å; N1128-I1132 PolarHBondContact O-N 2.93Å; P1129-I1132 PolarHBondContact O-N 2.61Å; I1132-S1134 PolarHBondContact O-N 2.78Å; I1132-L1135 PolarHBondContact O-N 3.19Å; I1132-I1136 HydrophobicContact CG2-CD1 3.79Å; I1132-I1136 VanDerWaalsContact O-CG1 3.29Å; I1132-I1136 WeakPolarHBondContact O-CG1 3.12Å; I1132-I1136 PolarHBondContact O-N 3.09Å
1133Y91.3Very high88Confident37 Ų3738.9 Ų38.915%0.14521%0.209CC..Hα-helixtrans-73.2-26.7-175.4-65.1-64.7000113.1P1129 I1136 A1137 K1155P1129-Y1133 HydrophobicContact CB-CD2 4.3Å; P1129-Y1133 HydrophobicContact CB-CE2 4.21Å; P1129-Y1133 WeakPolarHBondContact O-CD2 3.27Å; P1129-Y1133 PolarHBondContact O-N 2.64Å; Y1133-I1136 HydrophobicContact CD1-CD1 3.85Å; Y1133-I1136 HydrophobicContact CE1-CD1 4.15Å; Y1133-I1136 PolarHBondContact O-N 3.33Å; Y1133-A1137 WeakPolarHBondContact O-CB 3.25Å; Y1133-A1137 PolarHBondContact O-N 3.28Å; Y1133-K1155 HydrophobicContact CD1-CB 4.1Å; Y1133-K1155 HydrophobicContact CD1-CD 3.88Å; Y1133-K1155 HydrophobicContact CD2-CB 4.17Å; Y1133-K1155 HydrophobicContact CD2-CD 4.41Å; Y1133-K1155 HydrophobicContact CE1-CB 4.34Å; Y1133-K1155 HydrophobicContact CE1-CD 3.29Å; Y1133-K1155 HydrophobicContact CE1-CG 4.41Å; Y1133-K1155 HydrophobicContact CE2-CB 4.4Å; Y1133-K1155 HydrophobicContact CE2-CD 3.9Å; Y1133-K1155 HydrophobicContact CG-CB 4.04Å; Y1133-K1155 HydrophobicContact CG-CD 4.43Å; Y1133-K1155 WeakPolarHBondContact OH-CD 3.24Å; Y1133-K1155 PolarHBondContact OH-NZ 2.77Å
1134S90.3Very high87.8Confident51 Ų5144.4 Ų44.436%0.35723%0.23SC..Hα-helixtrans-65.8-45171.8-59.30000111.8L1130 I1131 I1132 A1137 L1138L1130-S1134 WeakPolarHBondContact O-CB 3.49Å; L1130-S1134 PolarHBondContact O-N 3.19Å; L1130-S1134 PolarHBondContact O-OG 3.05Å; I1131-S1134 PolarHBondContact O-N 2.86Å; I1132-S1134 PolarHBondContact O-N 2.78Å; S1134-A1137 PolarHBondContact O-N 3.42Å; S1134-L1138 WeakPolarHBondContact O-CB 3.4Å; S1134-L1138 PolarHBondContact O-N 3.19Å
1135L90.5Very high87.9Confident23 Ų2344 Ų4412%0.1222%0.219CC..Hα-helixtrans-65.8-39.3175.1-79.6165.5000111.6I1102 L1105 V1117 L1120 I1131 I1132 L1138 C1139I1102-L1135 HydrophobicContact CG1-CD2 4.29Å; L1105-L1135 HydrophobicContact CD1-CD2 4.29Å; V1117-L1135 HydrophobicContact CG2-CB 3.6Å; L1120-L1135 HydrophobicContact CD1-CD1 4.44Å; I1131-L1135 HydrophobicContact CG2-CD1 3.94Å; I1131-L1135 WeakPolarHBondContact O-CB 3.4Å; I1131-L1135 PolarHBondContact O-N 2.98Å; I1132-L1135 PolarHBondContact O-N 3.19Å; L1135-L1138 PolarHBondContact O-N 2.87Å; L1135-C1139 WeakPolarHBondContact O-CB 3.41Å; L1135-C1139 PolarHBondContact O-N 2.78Å; L1135-C1139 PolarHBondContact O-SG 2.93Å; L1135-C1139 VanDerWaalsContact O-SG 3.39Å
1136I91.1Very high88Confident5 Ų540.8 Ų40.83%0.02620%0.201CC..Hα-helixtrans-60.1-47.2174-66.3166000110.2V1117 K1121 I1132 Y1133 L1138 A1140 A1152V1117-I1136 HydrophobicContact CB-CG1 4.41Å; V1117-I1136 HydrophobicContact CG1-CB 4.39Å; V1117-I1136 HydrophobicContact CG1-CG1 3.86Å; V1117-I1136 HydrophobicContact CG2-CG1 3.86Å; K1121-I1136 HydrophobicContact CD-CD1 4.49Å; K1121-I1136 HydrophobicContact CG-CD1 3.89Å; I1132-I1136 HydrophobicContact CG2-CD1 3.79Å; I1132-I1136 VanDerWaalsContact O-CG1 3.29Å; I1132-I1136 WeakPolarHBondContact O-CG1 3.12Å; I1132-I1136 PolarHBondContact O-N 3.09Å; Y1133-I1136 HydrophobicContact CD1-CD1 3.85Å; Y1133-I1136 HydrophobicContact CE1-CD1 4.15Å; Y1133-I1136 PolarHBondContact O-N 3.33Å; I1136-L1138 PolarHBondContact O-N 3.02Å; I1136-A1140 WeakPolarHBondContact O-CB 3.39Å; I1136-A1140 PolarHBondContact O-N 2.72Å; I1136-A1152 HydrophobicContact CB-CB 4.3Å; I1136-A1152 HydrophobicContact CG2-CB 3.93Å
1137A90.6Very high88.1Confident3 Ų342.4 Ų42.43%0.02521%0.212CC..Hα-helixtrans-61-44.6178.200000111.7Y1133 S1134 A1140 I1141 A1152 F1153 L1156Y1133-A1137 WeakPolarHBondContact O-CB 3.25Å; Y1133-A1137 PolarHBondContact O-N 3.28Å; S1134-A1137 PolarHBondContact O-N 3.42Å; A1137-A1140 PolarHBondContact O-N 3.09Å; A1137-I1141 VanDerWaalsContact O-CG1 3.3Å; A1137-I1141 WeakPolarHBondContact O-CG1 3.41Å; A1137-I1141 PolarHBondContact O-N 3.48Å; A1137-A1152 HydrophobicContact CB-CB 3.82Å; A1137-F1153 HydrophobicContact CB-CD2 4.17Å; A1137-F1153 HydrophobicContact CB-CE2 3.9Å; A1137-F1153 HydrophobicContact CB-CZ 4.32Å; A1137-L1156 HydrophobicContact CB-CD1 4.28Å
1138L91.1Very high88.1Confident74 Ų7442.8 Ų42.839%0.38722%0.216SC..Hα-helixtrans-62.9-51.3178.8-171.273.7000111.8L1105 S1134 L1135 I1136 A1140 I1141 Y1142L1105-L1138 HydrophobicContact CD1-CD2 4.16Å; S1134-L1138 WeakPolarHBondContact O-CB 3.4Å; S1134-L1138 PolarHBondContact O-N 3.19Å; L1135-L1138 PolarHBondContact O-N 2.87Å; I1136-L1138 PolarHBondContact O-N 3.02Å; L1138-A1140 VanDerWaalsContact C-N 3.27Å; L1138-A1140 PolarHBondContact O-N 2.91Å; L1138-I1141 PolarHBondContact O-N 2.97Å; L1138-Y1142 HydrophobicContact CD1-CD2 4.43Å; L1138-Y1142 HydrophobicContact CD1-CE2 3.8Å; L1138-Y1142 HydrophobicContact CD2-CE2 4.45Å; L1138-Y1142 HydrophobicContact CG-CD2 4.14Å; L1138-Y1142 HydrophobicContact CG-CE2 3.83Å; L1138-Y1142 VanDerWaalsContact O-CD2 3.24Å; L1138-Y1142 WeakPolarHBondContact O-CD2 3.28Å; L1138-Y1142 PolarHBondContact O-N 3.15Å
1139C90Very high88.3Confident1 Ų139 Ų391%0.00720%0.196CC..Hα-helixtrans-58.8-40.8176.7-71.80000111.4L1105 F1114 V1117 L1135 I1141 Y1142 T1143L1105-C1139 VanDerWaalsContact CD1-SG 3.51Å; F1114-C1139 HydrophobicContact CB-CB 4.06Å; F1114-C1139 HydrophobicContact CD2-CB 3.9Å; F1114-C1139 HydrophobicContact CG-CB 4.5Å; V1117-C1139 HydrophobicContact CG1-CB 4.03Å; L1135-C1139 WeakPolarHBondContact O-CB 3.41Å; L1135-C1139 PolarHBondContact O-N 2.78Å; L1135-C1139 PolarHBondContact O-SG 2.93Å; L1135-C1139 VanDerWaalsContact O-SG 3.39Å; C1139-I1141 VanDerWaalsContact C-N 3.33Å; C1139-I1141 PolarHBondContact O-N 2.93Å; C1139-Y1142 PolarHBondContact O-N 3.24Å; C1139-T1143 PolarHBondContact O-N 2.84Å; C1139-T1143 PolarHBondContact O-OG1 3.06Å; C1139-T1143 VanDerWaalsContact O-OG1 3.1Å
1140A89.8Confident88.3Confident0 Ų038.6 Ų38.60%019%0.194CC..Hα-helixtrans-63.7-35.6178.700000113F1114 I1136 A1137 L1138 T1143 R1144 N1145 A1148 C1149F1114-A1140 HydrophobicContact CD2-CB 4.16Å; F1114-A1140 HydrophobicContact CE2-CB 3.71Å; I1136-A1140 WeakPolarHBondContact O-CB 3.39Å; I1136-A1140 PolarHBondContact O-N 2.72Å; A1137-A1140 PolarHBondContact O-N 3.09Å; L1138-A1140 VanDerWaalsContact C-N 3.27Å; L1138-A1140 PolarHBondContact O-N 2.91Å; A1140-T1143 PolarHBondContact O-OG1 2.82Å; A1140-R1144 PolarHBondContact O-N 2.9Å; A1140-R1144 VanDerWaalsContact O-N 3.16Å; A1140-N1145 PolarHBondContact O-N 2.88Å; A1140-A1148 HydrophobicContact CB-CB 4.21Å; A1140-C1149 HydrophobicContact CB-CB 3.69Å
1141I88.9Confident88.4Confident47 Ų4743.4 Ų43.424%0.24121%0.213CC..Hα-helixtrans-65.4-46.1175.2-68.5165.5000110.3A1137 L1138 C1139 T1143 R1144 C1149 F1153 L1177A1137-I1141 VanDerWaalsContact O-CG1 3.3Å; A1137-I1141 WeakPolarHBondContact O-CG1 3.41Å; A1137-I1141 PolarHBondContact O-N 3.48Å; L1138-I1141 PolarHBondContact O-N 2.97Å; C1139-I1141 VanDerWaalsContact C-N 3.33Å; C1139-I1141 PolarHBondContact O-N 2.93Å; I1141-T1143 VanDerWaalsContact C-N 3.34Å; I1141-T1143 PolarHBondContact O-N 3.48Å; I1141-R1144 PolarHBondContact O-N 2.82Å; I1141-R1144 VanDerWaalsContact O-N 3.11Å; I1141-C1149 WeakPolarHBondContact CG1-SG 3.29Å; I1141-F1153 HydrophobicContact CD1-CE2 4.35Å; I1141-L1177 HydrophobicContact CD1-CD1 4.22Å; I1141-L1177 HydrophobicContact CD1-CD2 3.88Å; I1141-L1177 HydrophobicContact CG1-CD2 4.09Å
1142Y88.3Confident88.3Confident127 Ų12739.5 Ų39.550%0.49819%0.194SC..Hα-helixtrans-67.8-31.3-179.1-76.7-69.4000113.5L1105 F1110 L1138 C1139 R1144L1105-Y1142 HydrophobicContact CD2-CD2 3.71Å; L1105-Y1142 HydrophobicContact CD2-CE2 4.09Å; L1105-Y1142 HydrophobicContact CD2-CG 4.48Å; F1110-Y1142 HydrophobicContact CD1-CD1 4.34Å; F1110-Y1142 AromaticContact CD1-CG 4Å; F1110-Y1142 HydrophobicContact CD1-CG 4Å; F1110-Y1142 AromaticContact CE1-CD1 3.96Å; F1110-Y1142 HydrophobicContact CE1-CD1 3.96Å; F1110-Y1142 HydrophobicContact CE1-CG 4.04Å; F1110-Y1142 HydrophobicContact CZ-CD1 4.23Å; L1138-Y1142 HydrophobicContact CD1-CD2 4.43Å; L1138-Y1142 HydrophobicContact CD1-CE2 3.8Å; L1138-Y1142 HydrophobicContact CD2-CE2 4.45Å; L1138-Y1142 HydrophobicContact CG-CD2 4.14Å; L1138-Y1142 HydrophobicContact CG-CE2 3.83Å; L1138-Y1142 VanDerWaalsContact O-CD2 3.24Å; L1138-Y1142 WeakPolarHBondContact O-CD2 3.28Å; L1138-Y1142 PolarHBondContact O-N 3.15Å; C1139-Y1142 PolarHBondContact O-N 3.24Å; Y1142-R1144 VanDerWaalsContact C-N 3.29Å
1143T86.7Confident88.3Confident31 Ų3140 Ų4019%0.1920%0.196CC..THydrogen-bonded Turntrans-84.90.1173.256.10000113.7F1110 N1111 F1114 C1139 A1140 I1141 N1145F1110-T1143 VanDerWaalsContact C-CG2 3.42Å; F1110-T1143 HydrophobicContact CB-CG2 3.74Å; F1110-T1143 WeakPolarHBondContact O-CG2 3.41Å; N1111-T1143 VanDerWaalsContact OD1-CG2 3.3Å; N1111-T1143 WeakPolarHBondContact OD1-CG2 3.24Å; F1114-T1143 HydrophobicContact CB-CG2 3.77Å; F1114-T1143 HydrophobicContact CG-CG2 4.34Å; C1139-T1143 PolarHBondContact O-N 2.84Å; C1139-T1143 PolarHBondContact O-OG1 3.06Å; C1139-T1143 VanDerWaalsContact O-OG1 3.1Å; A1140-T1143 PolarHBondContact O-OG1 2.82Å; I1141-T1143 VanDerWaalsContact C-N 3.34Å; I1141-T1143 PolarHBondContact O-N 3.48Å; T1143-N1145 PolarHBondContact O-N 3.45Å
1144R83.8Confident88.1Confident135 Ų13542.5 Ų42.551%0.50921%0.211SC..THydrogen-bonded Turntrans56.527.4-173.8-54.5-170.8-179.9-160.1-2.3114A1140 I1141 Y1142 Y1146 E1186A1140-R1144 PolarHBondContact O-N 2.9Å; A1140-R1144 VanDerWaalsContact O-N 3.16Å; I1141-R1144 PolarHBondContact O-N 2.82Å; I1141-R1144 VanDerWaalsContact O-N 3.11Å; Y1142-R1144 VanDerWaalsContact C-N 3.29Å; R1144-Y1146 VanDerWaalsContact C-N 3.33Å; R1144-Y1146 HydrophobicContact CB-CD2 4.49Å; R1144-Y1146 HydrophobicContact CB-CE2 3.94Å; R1144-Y1146 HydrophobicContact CG-CE2 4.43Å; R1144-Y1146 WeakPolarHBondContact O-CD2 3.39Å; R1144-Y1146 PolarHBondContact O-N 2.85Å; R1144-E1186 WeakPolarHBondContact CD-OE2 3.4Å; R1144-E1186 IonicContact CZ-OE2 3.65Å; R1144-E1186 IonicContact NE-OE2 2.8Å; R1144-E1186 IonicContact NH1-OE1 3.91Å; R1144-E1186 IonicContact NH1-OE2 3.81Å; R1144-E1186 PolarHBondContact NH1-OE2 3.12Å
1145N84.7Confident88Confident26 Ų2645 Ų4514%0.13922%0.216CC..  trans-88.271.5172.5-165.5-35.7000109.9F1114 A1140 T1143 V1147 A1148 C1149 N1185F1114-N1145 HydrophobicContact CZ-CB 4.39Å; A1140-N1145 PolarHBondContact O-N 2.88Å; T1143-N1145 PolarHBondContact O-N 3.45Å; N1145-V1147 PolarHBondContact O-N 2.79Å; N1145-A1148 HydrophobicContact CB-CB 4.44Å; N1145-A1148 PolarHBondContact O-N 3.35Å; N1145-A1148 WeakPolarHBondContact OD1-CB 3.38Å; N1145-A1148 PolarHBondContact OD1-N 2.98Å; N1145-A1148 VanDerWaalsContact OD1-N 3.17Å; N1145-C1149 PolarHBondContact O-N 3.4Å; N1145-N1185 VanDerWaalsContact C-OD1 3.28Å; N1145-N1185 VanDerWaalsContact CA-OD1 3.31Å; N1145-N1185 WeakPolarHBondContact CA-OD1 3.29Å; N1145-N1185 PolarHBondContact OD1-ND2 3.42Å; N1145-N1185 PolarHBondContact OD1-OD1 2.69Å
1146Y85.9Confident87.8Confident19 Ų1944.1 Ų44.18%0.07521%0.211CC..Hα-helixtrans-65.8-19.8-174-65.4-75.8000113.5R1144 S1150 F1178 H1181 N1185R1144-Y1146 VanDerWaalsContact C-N 3.33Å; R1144-Y1146 HydrophobicContact CB-CD2 4.49Å; R1144-Y1146 HydrophobicContact CB-CE2 3.94Å; R1144-Y1146 HydrophobicContact CG-CE2 4.43Å; R1144-Y1146 WeakPolarHBondContact O-CD2 3.39Å; R1144-Y1146 PolarHBondContact O-N 2.85Å; Y1146-S1150 WeakPolarHBondContact O-CB 3.47Å; Y1146-S1150 PolarHBondContact O-N 2.91Å; Y1146-F1178 HydrophobicContact CD1-CE1 4.49Å; Y1146-H1181 HydrophobicContact CD1-CB 3.99Å; Y1146-H1181 HydrophobicContact CE1-CB 3.58Å; Y1146-H1181 AromaticContact CE1-CG 3.8Å; Y1146-H1181 HydrophobicContact CE2-CB 4.19Å; Y1146-H1181 HydrophobicContact CG-CB 4.46Å; Y1146-H1181 AromaticContact CZ-CG 3.63Å; Y1146-H1181 AromaticContact CZ-ND1 3.83Å; Y1146-H1181 PolarHBondContact OH-ND1 2.83Å; Y1146-N1185 PolarHBondContact N-OD1 2.93Å; Y1146-N1185 VanDerWaalsContact N-OD1 3.09Å
1147V86Confident87.5Confident54 Ų5446.1 Ų46.133%0.32722%0.22SC..Hα-helixtrans-68.3-48.1172.6176.20000111.2N1145 C1149 S1150 K1151 P1183 N1185N1145-V1147 PolarHBondContact O-N 2.79Å; V1147-C1149 VanDerWaalsContact C-N 3.31Å; V1147-S1150 PolarHBondContact O-N 3.45Å; V1147-K1151 WeakPolarHBondContact O-CG 3.29Å; V1147-K1151 PolarHBondContact O-N 3.07Å; V1147-K1151 VanDerWaalsContact O-N 3.09Å; V1147-P1183 WeakPolarHBondContact CG2-O 3.4Å; V1147-N1185 WeakPolarHBondContact CG2-OD1 3.17Å; V1147-N1185 PolarHBondContact N-OD1 2.64Å; V1147-N1185 VanDerWaalsContact N-OD1 3.11Å
1148A85.2Confident87.2Confident18 Ų1851.7 Ų51.715%0.14925%0.249CC..Hα-helixtrans-66.2-37.3176.200000111.5F1114 A1140 N1145 K1151 A1152F1114-A1148 HydrophobicContact CE2-CB 3.86Å; F1114-A1148 HydrophobicContact CZ-CB 3.53Å; A1140-A1148 HydrophobicContact CB-CB 4.21Å; N1145-A1148 HydrophobicContact CB-CB 4.44Å; N1145-A1148 PolarHBondContact O-N 3.35Å; N1145-A1148 WeakPolarHBondContact OD1-CB 3.38Å; N1145-A1148 PolarHBondContact OD1-N 2.98Å; N1145-A1148 VanDerWaalsContact OD1-N 3.17Å; A1148-K1151 PolarHBondContact O-N 3.44Å; A1148-A1152 WeakPolarHBondContact O-CB 3.49Å; A1148-A1152 PolarHBondContact O-N 2.91Å
1149C87.3Confident86.8Confident0 Ų049.6 Ų49.60%024%0.238CC..Hα-helixtrans-57.7-48.3173.1-170.40000111.2A1140 I1141 N1145 V1147 K1151 A1152 F1153 F1178A1140-C1149 HydrophobicContact CB-CB 3.69Å; I1141-C1149 WeakPolarHBondContact CG1-SG 3.29Å; N1145-C1149 PolarHBondContact O-N 3.4Å; V1147-C1149 VanDerWaalsContact C-N 3.31Å; C1149-K1151 PolarHBondContact O-N 2.86Å; C1149-A1152 WeakPolarHBondContact O-CB 3.44Å; C1149-A1152 PolarHBondContact O-N 3.2Å; C1149-A1152 VanDerWaalsContact O-N 3.16Å; C1149-F1153 WeakPolarHBondContact O-CD2 3.42Å; C1149-F1153 PolarHBondContact O-N 2.75Å; C1149-F1153 WeakPolarHBondContact SG-CE2 3.11Å; C1149-F1178 HydrophobicContact CB-CZ 4.29Å
1150S87.8Confident86.2Confident32 Ų3255.6 Ų55.622%0.22428%0.275CS..Hα-helixtrans-60.6-45.81781760000112Y1146 V1147 A1152 F1153 I1154Y1146-S1150 WeakPolarHBondContact O-CB 3.47Å; Y1146-S1150 PolarHBondContact O-N 2.91Å; V1147-S1150 PolarHBondContact O-N 3.45Å; S1150-A1152 VanDerWaalsContact C-N 3.29Å; S1150-A1152 PolarHBondContact O-N 2.87Å; S1150-F1153 PolarHBondContact O-N 3.31Å; S1150-I1154 VanDerWaalsContact O-CG1 3.31Å; S1150-I1154 WeakPolarHBondContact O-CG1 3.31Å; S1150-I1154 PolarHBondContact O-N 3.37Å
1151K88.5Confident85.5Confident141 Ų14162.4 Ų62.461%0.61331%0.311SS*.Hα-helixtrans-60.6-37.7175.9-70.1177.9-177.2176.50112.4V1147 A1148 C1149 K1155V1147-K1151 WeakPolarHBondContact O-CG 3.29Å; V1147-K1151 PolarHBondContact O-N 3.07Å; V1147-K1151 VanDerWaalsContact O-N 3.09Å; A1148-K1151 PolarHBondContact O-N 3.44Å; C1149-K1151 PolarHBondContact O-N 2.86Å; K1151-K1155 PolarHBondContact O-N 2.89Å
1152A87.1Confident84.9Confident3 Ų361 Ų613%0.02531%0.305CS..Hα-helixtrans-67.8-45.1176.700000111.6I1136 A1137 A1148 C1149 S1150 I1154 K1155 L1156I1136-A1152 HydrophobicContact CB-CB 4.3Å; I1136-A1152 HydrophobicContact CG2-CB 3.93Å; A1137-A1152 HydrophobicContact CB-CB 3.82Å; A1148-A1152 WeakPolarHBondContact O-CB 3.49Å; A1148-A1152 PolarHBondContact O-N 2.91Å; C1149-A1152 WeakPolarHBondContact O-CB 3.44Å; C1149-A1152 PolarHBondContact O-N 3.2Å; C1149-A1152 VanDerWaalsContact O-N 3.16Å; S1150-A1152 VanDerWaalsContact C-N 3.29Å; S1150-A1152 PolarHBondContact O-N 2.87Å; A1152-I1154 PolarHBondContact O-N 2.95Å; A1152-K1155 PolarHBondContact O-N 2.81Å; A1152-K1155 VanDerWaalsContact O-N 3.13Å; A1152-L1156 WeakPolarHBondContact O-CG 3.48Å; A1152-L1156 PolarHBondContact O-N 2.87Å
1153F89.2Confident84.6Confident13 Ų1357 Ų576%0.05729%0.294CS..Hα-helixtrans-62.5-39175-85.4-72.2000112.8A1137 I1141 C1149 S1150 K1155 L1156 E1157 I1170 L1173 T1174 L1177 F1178A1137-F1153 HydrophobicContact CB-CD2 4.17Å; A1137-F1153 HydrophobicContact CB-CE2 3.9Å; A1137-F1153 HydrophobicContact CB-CZ 4.32Å; I1141-F1153 HydrophobicContact CD1-CE2 4.35Å; C1149-F1153 WeakPolarHBondContact O-CD2 3.42Å; C1149-F1153 PolarHBondContact O-N 2.75Å; C1149-F1153 WeakPolarHBondContact SG-CE2 3.11Å; S1150-F1153 PolarHBondContact O-N 3.31Å; F1153-K1155 VanDerWaalsContact C-N 3.28Å; F1153-K1155 PolarHBondContact O-N 2.82Å; F1153-L1156 HydrophobicContact CD1-CD1 4.16Å; F1153-L1156 HydrophobicContact CE1-CD1 4.41Å; F1153-L1156 PolarHBondContact O-N 2.79Å; F1153-L1156 VanDerWaalsContact O-N 3.16Å; F1153-E1157 WeakPolarHBondContact O-CG 3.31Å; F1153-E1157 PolarHBondContact O-N 3.04Å; F1153-I1170 HydrophobicContact CD1-CG2 3.92Å; F1153-I1170 HydrophobicContact CE1-CG2 4.28Å; F1153-L1173 HydrophobicContact CE1-CD2 4.12Å; F1153-L1173 HydrophobicContact CZ-CD2 3.89Å; F1153-T1174 HydrophobicContact CB-CG2 4.1Å; F1153-T1174 WeakPolarHBondContact CD1-OG1 3.42Å; F1153-T1174 HydrophobicContact CG-CG2 4.38Å; F1153-T1174 WeakPolarHBondContact CG-OG1 3.24Å; F1153-L1177 HydrophobicContact CD2-CD2 4.49Å; F1153-L1177 HydrophobicContact CE2-CD2 3.86Å; F1153-F1178 HydrophobicContact CD2-CE2 4.15Å
1154I86.9Confident84.3Confident90 Ų9060.5 Ų60.546%0.46232%0.318SS..Hα-helixtrans-60.3-39.9173.2-68.6165.3000111S1150 A1152 N1158S1150-I1154 VanDerWaalsContact O-CG1 3.31Å; S1150-I1154 WeakPolarHBondContact O-CG1 3.31Å; S1150-I1154 PolarHBondContact O-N 3.37Å; A1152-I1154 PolarHBondContact O-N 2.95Å; I1154-N1158 WeakPolarHBondContact O-CB 3.34Å; I1154-N1158 PolarHBondContact O-N 2.86Å; I1154-N1158 PolarHBondContact O-ND2 2.9Å
1155K88.1Confident84.4Confident104 Ų10458.5 Ų58.545%0.45232%0.321SS..Hα-helixtrans-70-39.8175.4-77.6-161.3174.4-167.20112Y1133 K1151 A1152 F1153 N1158 L1159Y1133-K1155 HydrophobicContact CD1-CB 4.1Å; Y1133-K1155 HydrophobicContact CD1-CD 3.88Å; Y1133-K1155 HydrophobicContact CD2-CB 4.17Å; Y1133-K1155 HydrophobicContact CD2-CD 4.41Å; Y1133-K1155 HydrophobicContact CE1-CB 4.34Å; Y1133-K1155 HydrophobicContact CE1-CD 3.29Å; Y1133-K1155 HydrophobicContact CE1-CG 4.41Å; Y1133-K1155 HydrophobicContact CE2-CB 4.4Å; Y1133-K1155 HydrophobicContact CE2-CD 3.9Å; Y1133-K1155 HydrophobicContact CG-CB 4.04Å; Y1133-K1155 HydrophobicContact CG-CD 4.43Å; Y1133-K1155 WeakPolarHBondContact OH-CD 3.24Å; Y1133-K1155 PolarHBondContact OH-NZ 2.77Å; K1151-K1155 PolarHBondContact O-N 2.89Å; A1152-K1155 PolarHBondContact O-N 2.81Å; A1152-K1155 VanDerWaalsContact O-N 3.13Å; F1153-K1155 VanDerWaalsContact C-N 3.28Å; F1153-K1155 PolarHBondContact O-N 2.82Å; K1155-N1158 PolarHBondContact O-N 2.83Å; K1155-L1159 WeakPolarHBondContact O-CG 3.36Å; K1155-L1159 PolarHBondContact O-N 3.2Å
1156L87Confident84.3Confident4 Ų461.2 Ų61.22%0.02133%0.333CS..Hα-helixtrans-61.2-44.8175.6-72.5167.4000111.6L1130 A1137 A1152 F1153 N1158 L1159 I1162 I1170L1130-L1156 HydrophobicContact CD1-CD2 3.81Å; A1137-L1156 HydrophobicContact CB-CD1 4.28Å; A1152-L1156 WeakPolarHBondContact O-CG 3.48Å; A1152-L1156 PolarHBondContact O-N 2.87Å; F1153-L1156 HydrophobicContact CD1-CD1 4.16Å; F1153-L1156 HydrophobicContact CE1-CD1 4.41Å; F1153-L1156 PolarHBondContact O-N 2.79Å; F1153-L1156 VanDerWaalsContact O-N 3.16Å; L1156-N1158 PolarHBondContact O-N 2.9Å; L1156-L1159 HydrophobicContact CD2-CD1 3.99Å; L1156-L1159 PolarHBondContact O-N 2.84Å; L1156-I1162 WeakPolarHBondContact O-CD1 3.25Å; L1156-I1170 HydrophobicContact CB-CG2 4.09Å
1157E83.8Confident84.2Confident47 Ų4763.2 Ų63.222%0.2234%0.343CS..Hα-helixtrans-63.7-28.3177.9-75.1-171.9-174.400113.2F1153 Q1167 I1170 K1171F1153-E1157 WeakPolarHBondContact O-CG 3.31Å; F1153-E1157 PolarHBondContact O-N 3.04Å; E1157-Q1167 PolarHBondContact O-NE2 2.92Å; E1157-I1170 HydrophobicContact CG-CG2 4.01Å; E1157-K1171 VanDerWaalsContact CD-CG 3.44Å; E1157-K1171 HydrophobicContact CG-CG 3.85Å; E1157-K1171 VanDerWaalsContact OE1-CG 3.3Å; E1157-K1171 WeakPolarHBondContact OE1-CG 3.5Å
1158N85.3Confident84.2Confident119 Ų11967.1 Ų67.164%0.63636%0.355SS*.THydrogen-bonded Turntrans-94.65.2-178.1-71.2-47.6000114.1I1154 K1155 L1156I1154-N1158 WeakPolarHBondContact O-CB 3.34Å; I1154-N1158 PolarHBondContact O-N 2.86Å; I1154-N1158 PolarHBondContact O-ND2 2.9Å; K1155-N1158 PolarHBondContact O-N 2.83Å; L1156-N1158 PolarHBondContact O-N 2.9Å
1159L82.3Confident84.3Confident30 Ų3072.1 Ų72.116%0.15738%0.376CS..  trans-70.1134.4174.5-76.7166.5000110.7P1129 L1130 K1155 L1156 I1162 Q1167P1129-L1159 HydrophobicContact CB-CD2 3.67Å; L1130-L1159 HydrophobicContact CB-CD1 4.02Å; L1130-L1159 HydrophobicContact CD1-CD1 3.74Å; K1155-L1159 WeakPolarHBondContact O-CG 3.36Å; K1155-L1159 PolarHBondContact O-N 3.2Å; L1156-L1159 HydrophobicContact CD2-CD1 3.99Å; L1156-L1159 PolarHBondContact O-N 2.84Å; L1159-I1162 HydrophobicContact CB-CD1 3.66Å; L1159-I1162 HydrophobicContact CB-CG1 3.63Å; L1159-I1162 HydrophobicContact CD1-CD1 4.44Å; L1159-I1162 WeakPolarHBondContact O-CG1 3.29Å; L1159-Q1167 PolarHBondContact O-NE2 2.84Å
1160T77.6Confident84.3Confident127 Ų12773.5 Ų73.578%0.77938%0.383SS*.SBendtrans-85.6-16.1-179.151.90000113.8
1161D75Confident84.2Confident143 Ų14376.6 Ų76.677%0.76539%0.392SS*.SBendtrans-99.49.7-169.2-67.5-3.2000113.9
1162I76.6Confident84.2Confident19 Ų1975 Ų7510%0.09739%0.387CS..SBendtrans-103.1150.417915.8170.6000111.3L1130 L1156 L1159 E1166 Q1167 I1170L1130-I1162 HydrophobicContact CD1-CD1 4.17Å; L1130-I1162 HydrophobicContact CD1-CG2 3.58Å; L1130-I1162 HydrophobicContact CD2-CG2 3.72Å; L1130-I1162 HydrophobicContact CG-CG2 4.26Å; L1156-I1162 WeakPolarHBondContact O-CD1 3.25Å; L1159-I1162 HydrophobicContact CB-CD1 3.66Å; L1159-I1162 HydrophobicContact CB-CG1 3.63Å; L1159-I1162 HydrophobicContact CD1-CD1 4.44Å; L1159-I1162 WeakPolarHBondContact O-CG1 3.29Å; I1162-E1166 HydrophobicContact CB-CB 4.47Å; I1162-E1166 HydrophobicContact CG2-CB 4.2Å; I1162-Q1167 HydrophobicContact CD1-CG 4.31Å; I1162-I1170 HydrophobicContact CD1-CD1 4.05Å
1163S81.1Confident84.2Confident41 Ų4179.9 Ų79.929%0.28741%0.412SS..  trans-64.4148.5177.369.10000111.1T1165 E1166 Q1167S1163-T1165 PolarHBondContact O-N 2.93Å; S1163-T1165 VanDerWaalsContact O-N 3.13Å; S1163-T1165 PolarHBondContact OG-OG1 2.89Å; S1163-E1166 WeakPolarHBondContact CB-OE2 3.3Å; S1163-E1166 PolarHBondContact N-OE2 2.81Å; S1163-E1166 PolarHBondContact O-N 3.18Å; S1163-E1166 VanDerWaalsContact O-N 3.09Å; S1163-E1166 WeakPolarHBondContact OG-CB 3.44Å; S1163-E1166 VanDerWaalsContact OG-CD 3.3Å; S1163-E1166 VanDerWaalsContact OG-CG 3.26Å; S1163-E1166 WeakPolarHBondContact OG-CG 3.37Å; S1163-E1166 PolarHBondContact OG-N 2.88Å; S1163-E1166 PolarHBondContact OG-OE2 2.9Å; S1163-Q1167 PolarHBondContact O-N 2.88Å
1164P82Confident84.1Confident106 Ų10680.2 Ų80.269%0.68842%0.415SS*.Hα-helixtrans-61.5-23.9178.522.9-32000112.7K1168P1164-K1168 WeakPolarHBondContact O-CB 3.31Å; P1164-K1168 PolarHBondContact O-N 2.84Å; P1164-K1168 VanDerWaalsContact O-N 3.16Å
1165T84.5Confident84.1Confident92 Ų9282 Ų8256%0.56443%0.425SS*.Hα-helixtrans-67.5-51.917133.40000112S1163 Q1167 K1168 E1169S1163-T1165 PolarHBondContact O-N 2.93Å; S1163-T1165 VanDerWaalsContact O-N 3.13Å; S1163-T1165 PolarHBondContact OG-OG1 2.89Å; T1165-Q1167 VanDerWaalsContact C-N 3.28Å; T1165-Q1167 PolarHBondContact O-N 2.86Å; T1165-K1168 WeakPolarHBondContact O-CB 3.4Å; T1165-K1168 PolarHBondContact O-N 3.26Å; T1165-K1168 VanDerWaalsContact O-N 3.09Å; T1165-E1169 WeakPolarHBondContact O-CG 3.31Å; T1165-E1169 PolarHBondContact O-N 3.01Å
1166E82.8Confident84Confident84 Ų8482.2 Ų82.239%0.39343%0.431SS..Hα-helixtrans-61.4-39.7176.6-73.8163137.200111.1I1162 S1163 K1168 E1169 I1170I1162-E1166 HydrophobicContact CB-CB 4.47Å; I1162-E1166 HydrophobicContact CG2-CB 4.2Å; S1163-E1166 WeakPolarHBondContact CB-OE2 3.3Å; S1163-E1166 PolarHBondContact N-OE2 2.81Å; S1163-E1166 PolarHBondContact O-N 3.18Å; S1163-E1166 VanDerWaalsContact O-N 3.09Å; S1163-E1166 WeakPolarHBondContact OG-CB 3.44Å; S1163-E1166 VanDerWaalsContact OG-CD 3.3Å; S1163-E1166 VanDerWaalsContact OG-CG 3.26Å; S1163-E1166 WeakPolarHBondContact OG-CG 3.37Å; S1163-E1166 PolarHBondContact OG-N 2.88Å; S1163-E1166 PolarHBondContact OG-OE2 2.9Å; E1166-K1168 PolarHBondContact O-N 2.87Å; E1166-E1169 PolarHBondContact O-N 3.27Å; E1166-I1170 WeakPolarHBondContact O-CB 3.36Å; E1166-I1170 VanDerWaalsContact O-CG1 3.22Å; E1166-I1170 WeakPolarHBondContact O-CG1 3.39Å; E1166-I1170 PolarHBondContact O-N 3.43Å
1167Q84.7Confident83.9Confident60 Ų6083.7 Ų83.728%0.2844%0.439SS..Hα-helixtrans-63.5-32177.9-15017729.700112E1157 L1159 I1162 S1163 T1165 K1171E1157-Q1167 PolarHBondContact O-NE2 2.92Å; L1159-Q1167 PolarHBondContact O-NE2 2.84Å; I1162-Q1167 HydrophobicContact CD1-CG 4.31Å; S1163-Q1167 PolarHBondContact O-N 2.88Å; T1165-Q1167 VanDerWaalsContact C-N 3.28Å; T1165-Q1167 PolarHBondContact O-N 2.86Å; Q1167-K1171 WeakPolarHBondContact O-CG 3.35Å; Q1167-K1171 PolarHBondContact O-N 2.79Å
1168K85.6Confident84.1Confident136 Ų13683.4 Ų83.459%0.59144%0.437SS*.Hα-helixtrans-75.7-41.8175.4-160.5-175.4179.5-1650111.8P1164 T1165 E1166 K1171 E1172P1164-K1168 WeakPolarHBondContact O-CB 3.31Å; P1164-K1168 PolarHBondContact O-N 2.84Å; P1164-K1168 VanDerWaalsContact O-N 3.16Å; T1165-K1168 WeakPolarHBondContact O-CB 3.4Å; T1165-K1168 PolarHBondContact O-N 3.26Å; T1165-K1168 VanDerWaalsContact O-N 3.09Å; E1166-K1168 PolarHBondContact O-N 2.87Å; K1168-K1171 WeakPolarHBondContact O-CB 3.48Å; K1168-K1171 PolarHBondContact O-N 2.89Å; K1168-E1172 PolarHBondContact O-N 2.99Å
1169E87.7Confident84.1Confident124 Ų12486.7 Ų86.758%0.57945%0.446SS*.Hα-helixtrans-62.3-43.4174.9-71.3174.8-176.900111.6T1165 E1166 K1171 E1172 L1173T1165-E1169 WeakPolarHBondContact O-CG 3.31Å; T1165-E1169 PolarHBondContact O-N 3.01Å; E1166-E1169 PolarHBondContact O-N 3.27Å; E1169-K1171 VanDerWaalsContact C-N 3.29Å; E1169-K1171 PolarHBondContact O-N 2.84Å; E1169-E1172 PolarHBondContact O-N 3.31Å; E1169-L1173 VanDerWaalsContact O-CB 3.3Å; E1169-L1173 WeakPolarHBondContact O-CB 3.32Å; E1169-L1173 PolarHBondContact O-N 3.18Å
1170I85.8Confident84.1Confident28 Ų2894.6 Ų94.614%0.14447%0.474CS..Hα-helixtrans-59.6-41.1175.1-68.8166000110.6F1153 L1156 E1157 I1162 E1166 L1173 T1174F1153-I1170 HydrophobicContact CD1-CG2 3.92Å; F1153-I1170 HydrophobicContact CE1-CG2 4.28Å; L1156-I1170 HydrophobicContact CB-CG2 4.09Å; E1157-I1170 HydrophobicContact CG-CG2 4.01Å; I1162-I1170 HydrophobicContact CD1-CD1 4.05Å; E1166-I1170 WeakPolarHBondContact O-CB 3.36Å; E1166-I1170 VanDerWaalsContact O-CG1 3.22Å; E1166-I1170 WeakPolarHBondContact O-CG1 3.39Å; E1166-I1170 PolarHBondContact O-N 3.43Å; I1170-L1173 PolarHBondContact O-N 3.44Å; I1170-T1174 WeakPolarHBondContact O-CB 3.44Å; I1170-T1174 PolarHBondContact O-N 3.14Å; I1170-T1174 PolarHBondContact O-OG1 3.22Å
1171K86.2Confident84.2Confident97 Ų9792.5 Ų92.542%0.42246%0.455SS..Hα-helixtrans-65.1-45.4176.4-84177177.5-179.30112.8E1157 Q1167 K1168 E1169 L1173 T1174 L1175E1157-K1171 VanDerWaalsContact CD-CG 3.44Å; E1157-K1171 HydrophobicContact CG-CG 3.85Å; E1157-K1171 VanDerWaalsContact OE1-CG 3.3Å; E1157-K1171 WeakPolarHBondContact OE1-CG 3.5Å; Q1167-K1171 WeakPolarHBondContact O-CG 3.35Å; Q1167-K1171 PolarHBondContact O-N 2.79Å; K1168-K1171 WeakPolarHBondContact O-CB 3.48Å; K1168-K1171 PolarHBondContact O-N 2.89Å; E1169-K1171 VanDerWaalsContact C-N 3.29Å; E1169-K1171 PolarHBondContact O-N 2.84Å; K1171-L1173 VanDerWaalsContact C-N 3.33Å; K1171-T1174 PolarHBondContact O-N 3.38Å; K1171-L1175 WeakPolarHBondContact O-CG 3.02Å; K1171-L1175 PolarHBondContact O-N 3.09Å
1172E88.2Confident84.3Confident109 Ų10992.4 Ų92.451%0.50945%0.45SS..Hα-helixtrans-62.6-42.3176.4-75.2176.5-173.500110.9K1168 E1169 T1174 L1175 D1176K1168-E1172 PolarHBondContact O-N 2.99Å; E1169-E1172 PolarHBondContact O-N 3.31Å; E1172-T1174 PolarHBondContact O-N 3.12Å; E1172-L1175 PolarHBondContact O-N 3.09Å; E1172-D1176 PolarHBondContact O-N 3.25Å
1173L87.1Confident84.3Confident105 Ų10594.5 Ų94.555%0.5547%0.465SS..Hα-helixtrans-66.3-38.1177.3-152.2121.6000112.2F1153 E1169 I1170 K1171 D1176 L1177F1153-L1173 HydrophobicContact CE1-CD2 4.12Å; F1153-L1173 HydrophobicContact CZ-CD2 3.89Å; E1169-L1173 VanDerWaalsContact O-CB 3.3Å; E1169-L1173 WeakPolarHBondContact O-CB 3.32Å; E1169-L1173 PolarHBondContact O-N 3.18Å; I1170-L1173 PolarHBondContact O-N 3.44Å; K1171-L1173 VanDerWaalsContact C-N 3.33Å; L1173-D1176 PolarHBondContact O-N 2.9Å; L1173-L1177 VanDerWaalsContact O-CB 3.26Å; L1173-L1177 WeakPolarHBondContact O-CB 3.35Å; L1173-L1177 PolarHBondContact O-N 2.93Å
1174T86.9Confident84Confident20 Ų2097.7 Ų97.712%0.12348%0.477CS..Hα-helixtrans-62.6-46.1174.4-590000110.5F1153 I1170 K1171 E1172 F1178F1153-T1174 HydrophobicContact CB-CG2 4.1Å; F1153-T1174 WeakPolarHBondContact CD1-OG1 3.42Å; F1153-T1174 HydrophobicContact CG-CG2 4.38Å; F1153-T1174 WeakPolarHBondContact CG-OG1 3.24Å; I1170-T1174 WeakPolarHBondContact O-CB 3.44Å; I1170-T1174 PolarHBondContact O-N 3.14Å; I1170-T1174 PolarHBondContact O-OG1 3.22Å; K1171-T1174 PolarHBondContact O-N 3.38Å; E1172-T1174 PolarHBondContact O-N 3.12Å; T1174-F1178 HydrophobicContact CG2-CD2 3.71Å; T1174-F1178 HydrophobicContact CG2-CE2 3.91Å; T1174-F1178 VanDerWaalsContact O-CD2 3.24Å; T1174-F1178 WeakPolarHBondContact O-CD2 3.47Å; T1174-F1178 PolarHBondContact O-N 3.3Å
1175L87Confident83.5Confident127 Ų12794.8 Ų94.867%0.66546%0.456SS*.Hα-helixtrans-61.4-48.3176.5-77.9165.6000111.6K1171 E1172 L1177 F1179K1171-L1175 WeakPolarHBondContact O-CG 3.02Å; K1171-L1175 PolarHBondContact O-N 3.09Å; E1172-L1175 PolarHBondContact O-N 3.09Å; L1175-L1177 PolarHBondContact O-N 2.91Å; L1175-F1179 WeakPolarHBondContact O-CB 3.22Å; L1175-F1179 PolarHBondContact O-N 2.71Å
1176D87.1Confident82.4Confident109 Ų10996.1 Ų96.158%0.58346%0.456SS*.Hα-helixtrans-63.8-40.6180-96.32.6000112.8E1172 L1173 R1180E1172-D1176 PolarHBondContact O-N 3.25Å; L1173-D1176 PolarHBondContact O-N 2.9Å; D1176-R1180 PolarHBondContact O-N 2.93Å
1177L85.5Confident81Confident34 Ų34101.2 Ų101.218%0.17848%0.479CS..Hα-helixtrans-65.7-51.4179.6-171.879.6000111.1I1141 F1153 L1173 L1175 F1179 R1180 H1181I1141-L1177 HydrophobicContact CD1-CD1 4.22Å; I1141-L1177 HydrophobicContact CD1-CD2 3.88Å; I1141-L1177 HydrophobicContact CG1-CD2 4.09Å; F1153-L1177 HydrophobicContact CD2-CD2 4.49Å; F1153-L1177 HydrophobicContact CE2-CD2 3.86Å; L1173-L1177 VanDerWaalsContact O-CB 3.26Å; L1173-L1177 WeakPolarHBondContact O-CB 3.35Å; L1173-L1177 PolarHBondContact O-N 2.93Å; L1175-L1177 PolarHBondContact O-N 2.91Å; L1177-F1179 VanDerWaalsContact C-N 3.3Å; L1177-F1179 PolarHBondContact O-N 2.8Å; L1177-R1180 PolarHBondContact O-N 3.39Å; L1177-H1181 PolarHBondContact O-N 2.97Å
1178F87.5Confident79.4Confident42 Ų42103.6 Ų103.618%0.18449%0.494CS..Hα-helixtrans-79.8-11.7-176.3-67.8-66.6000113.7Y1146 C1149 F1153 T1174 R1180 H1181 P1183Y1146-F1178 HydrophobicContact CD1-CE1 4.49Å; C1149-F1178 HydrophobicContact CB-CZ 4.29Å; F1153-F1178 HydrophobicContact CD2-CE2 4.15Å; T1174-F1178 HydrophobicContact CG2-CD2 3.71Å; T1174-F1178 HydrophobicContact CG2-CE2 3.91Å; T1174-F1178 VanDerWaalsContact O-CD2 3.24Å; T1174-F1178 WeakPolarHBondContact O-CD2 3.47Å; T1174-F1178 PolarHBondContact O-N 3.3Å; F1178-R1180 VanDerWaalsContact C-N 3.35Å; F1178-H1181 WeakPolarHBondContact CA-O 3.28Å; F1178-H1181 WeakPolarHBondContact CD1-O 3.25Å; F1178-P1183 HydrophobicContact CD1-CB 3.96Å; F1178-P1183 HydrophobicContact CD1-CG 4.47Å; F1178-P1183 HydrophobicContact CE1-CB 3.9Å
1179F85.2Confident77.9Confident188 Ų188101.8 Ų101.883%0.82550%0.495SS*.Hα-helixtrans-70.4-32.5165.7-166.5-92.9000111.9L1175 L1177L1175-F1179 WeakPolarHBondContact O-CB 3.22Å; L1175-F1179 PolarHBondContact O-N 2.71Å; L1177-F1179 VanDerWaalsContact C-N 3.3Å; L1177-F1179 PolarHBondContact O-N 2.8Å
1180R82.4Confident76.3Confident196 Ų196103.6 Ų103.674%0.7451%0.508SS*.Hα-helixtrans-89.2-33.7178.1-67.4-177-173.5168.26.5113.7D1176 L1177 F1178D1176-R1180 PolarHBondContact O-N 2.93Å; L1177-R1180 PolarHBondContact O-N 3.39Å; F1178-R1180 VanDerWaalsContact C-N 3.35Å
1181H79.5Confident74.8Confident82 Ų82110.2 Ų110.238%0.3854%0.538SS..SBendtrans-127.3115.7-177.5-61.1-75000110Y1146 L1177 F1178Y1146-H1181 HydrophobicContact CD1-CB 3.99Å; Y1146-H1181 HydrophobicContact CE1-CB 3.58Å; Y1146-H1181 AromaticContact CE1-CG 3.8Å; Y1146-H1181 HydrophobicContact CE2-CB 4.19Å; Y1146-H1181 HydrophobicContact CG-CB 4.46Å; Y1146-H1181 AromaticContact CZ-CG 3.63Å; Y1146-H1181 AromaticContact CZ-ND1 3.83Å; Y1146-H1181 PolarHBondContact OH-ND1 2.83Å; L1177-H1181 PolarHBondContact O-N 2.97Å; F1178-H1181 WeakPolarHBondContact CA-O 3.28Å; F1178-H1181 WeakPolarHBondContact CD1-O 3.25Å
1182Q77.5Confident73.5Confident142 Ų142106.5 Ų106.566%0.66452%0.524SS*.  trans-63.3145.8173.1-72.5-170.4-6.800110I1184Q1182-I1184 HydrophobicContact CB-CD1 4.1Å; Q1182-I1184 HydrophobicContact CB-CG1 4.17Å; Q1182-I1184 PolarHBondContact O-N 2.78Å
1183P76.9Confident72.2Confident63 Ų63104.7 Ų104.741%0.40952%0.524SS..SBendtrans-74.362.4-178.832.1-35000111.5V1147 F1178V1147-P1183 WeakPolarHBondContact CG2-O 3.4Å; F1178-P1183 HydrophobicContact CD1-CB 3.96Å; F1178-P1183 HydrophobicContact CD1-CG 4.47Å; F1178-P1183 HydrophobicContact CE1-CB 3.9Å
1184I74.1Confident71.2Confident108 Ų108106.5 Ų106.555%0.55453%0.529SS*.  trans-130132.4179.6-50173.6000106.4Q1182Q1182-I1184 HydrophobicContact CB-CD1 4.1Å; Q1182-I1184 HydrophobicContact CB-CG1 4.17Å; Q1182-I1184 PolarHBondContact O-N 2.78Å
1185N70.9Confident70.1Confident45 Ų45107.6 Ų107.624%0.24153%0.533CS..  trans-75.5137179.5-66.8-7.2000110.6N1145 Y1146 V1147N1145-N1185 VanDerWaalsContact C-OD1 3.28Å; N1145-N1185 VanDerWaalsContact CA-OD1 3.31Å; N1145-N1185 WeakPolarHBondContact CA-OD1 3.29Å; N1145-N1185 PolarHBondContact OD1-ND2 3.42Å; N1145-N1185 PolarHBondContact OD1-OD1 2.69Å; Y1146-N1185 PolarHBondContact N-OD1 2.93Å; Y1146-N1185 VanDerWaalsContact N-OD1 3.09Å; V1147-N1185 WeakPolarHBondContact CG2-OD1 3.17Å; V1147-N1185 PolarHBondContact N-OD1 2.64Å; V1147-N1185 VanDerWaalsContact N-OD1 3.11Å
1186E62.3Low69.1Low120 Ų120103.8 Ų103.856%0.56151%0.514SS*.  trans-81.9117.8171.4-86.5-177162.700110.3R1144R1144-E1186 WeakPolarHBondContact CD-OE2 3.4Å; R1144-E1186 IonicContact CZ-OE2 3.65Å; R1144-E1186 IonicContact NE-OE2 2.8Å; R1144-E1186 IonicContact NH1-OE1 3.91Å; R1144-E1186 IonicContact NH1-OE2 3.81Å; R1144-E1186 PolarHBondContact NH1-OE2 3.12Å
1187Q53.4Low68.2Low190 Ų190102 Ų10289%0.88851%0.509SS*.  trans26.392.3172-72.2-176.5-13.200116.6T1189Q1187-T1189 PolarHBondContact O-N 2.87Å
1188D51.6Low67.3Low110 Ų110103 Ų10359%0.58851%0.514SS*.  trans-61.3123.7167.3-65.1-37.9000110.5
1189T53.5Low66.3Low98 Ų98102.9 Ų102.960%0.60152%0.515SS*.  trans-74140.6164.645.40000109.3Q1187 E1191 S1192Q1187-T1189 PolarHBondContact O-N 2.87Å; T1189-E1191 VanDerWaalsContact C-N 3.28Å; T1189-E1191 PolarHBondContact O-N 2.87Å; T1189-E1191 VanDerWaalsContact O-N 3.17Å; T1189-S1192 WeakPolarHBondContact O-CB 3.35Å; T1189-S1192 PolarHBondContact O-N 3Å; T1189-S1192 PolarHBondContact O-OG 2.76Å
1190L53Low65.3Low163 Ų163101.5 Ų101.585%0.85351%0.511SS*.Hα-helixtrans-53.2-41.6-174-121.895.3000113.5S1192 S1193L1190-S1192 PolarHBondContact O-N 3Å; L1190-S1193 PolarHBondContact O-N 2.91Å
1191E54.6Low64.2Low167 Ų16794.2 Ų94.278%0.7849%0.49SS*.Hα-helixtrans-65.5-23.9178.3-71-177164.800113.3T1189T1189-E1191 VanDerWaalsContact C-N 3.28Å; T1189-E1191 PolarHBondContact O-N 2.87Å; T1189-E1191 VanDerWaalsContact O-N 3.17Å
1192S59.9Low63.1Low19 Ų1999.9 Ų99.913%0.13352%0.517CS..Hα-helixtrans-70.7-36.3178.171.40000111.9R1115 T1189 L1190 D1196R1115-S1192 VanDerWaalsContact NH2-CA 3.33Å; R1115-S1192 PolarHBondContact NH2-O 3.5Å; R1115-S1192 VanDerWaalsContact NH2-O 3.1Å; T1189-S1192 WeakPolarHBondContact O-CB 3.35Å; T1189-S1192 PolarHBondContact O-N 3Å; T1189-S1192 PolarHBondContact O-OG 2.76Å; L1190-S1192 PolarHBondContact O-N 3Å; S1192-D1196 VanDerWaalsContact O-CG 3.23Å; S1192-D1196 PolarHBondContact O-N 2.83Å
1193S60.8Low62.1Low71 Ų7197.7 Ų97.750%0.49751%0.513SS..Hα-helixtrans-70.4-37.6-175.5174.80000114.1L1190 S1197L1190-S1193 PolarHBondContact O-N 2.91Å; S1193-S1197 PolarHBondContact O-N 3.33Å
1194E65.5Low61.7Low143 Ų143104.7 Ų104.767%0.66854%0.537SS*.Hα-helixtrans-69.3-47.7-178.2-80.5-173.3160.600111.5D1196 S1197 M1198E1194-D1196 VanDerWaalsContact C-N 3.31Å; E1194-D1196 PolarHBondContact O-N 2.85Å; E1194-S1197 WeakPolarHBondContact O-CB 3.22Å; E1194-S1197 PolarHBondContact O-N 2.76Å; E1194-S1197 VanDerWaalsContact O-N 3.16Å; E1194-S1197 PolarHBondContact O-OG 3.1Å; E1194-M1198 PolarHBondContact O-N 2.89Å; E1194-M1198 VanDerWaalsContact O-N 3.16Å
1195M64.6Low61.9Low43 Ų43101.6 Ų101.621%0.21252%0.521CS..Hα-helixtrans-64.5-35.6179.3-89.8-167.46600113R1115 S1197 M1198 L1199 Q1213 P1214R1115-M1195 VanDerWaalsContact CZ-CB 3.47Å; R1115-M1195 PolarHBondContact NH1-SD 2.8Å; M1195-S1197 VanDerWaalsContact C-N 3.3Å; M1195-M1198 PolarHBondContact O-N 3.49Å; M1195-L1199 PolarHBondContact O-N 2.96Å; M1195-Q1213 HydrophobicContact CE-CB 3.82Å; M1195-Q1213 HydrophobicContact CE-CG 4.04Å; M1195-P1214 HydrophobicContact CE-CG 4.14Å
1196D66.4Low62.5Low47 Ų47101.7 Ų101.725%0.25153%0.525SS..Hα-helixtrans-66.7-35.8176.2-72.83.6000110.9R1115 S1192 E1194 M1198 L1199 E1200R1115-D1196 WeakPolarHBondContact CG-OD1 3.27Å; R1115-D1196 IonicContact CZ-OD1 2.77Å; R1115-D1196 IonicContact NE-OD1 3.2Å; R1115-D1196 PolarHBondContact NE-OD1 2.83Å; R1115-D1196 IonicContact NH2-OD1 3.94Å; S1192-D1196 VanDerWaalsContact O-CG 3.23Å; S1192-D1196 PolarHBondContact O-N 2.83Å; E1194-D1196 VanDerWaalsContact C-N 3.31Å; E1194-D1196 PolarHBondContact O-N 2.85Å; D1196-M1198 VanDerWaalsContact C-N 3.32Å; D1196-M1198 PolarHBondContact O-N 2.93Å; D1196-L1199 PolarHBondContact O-N 2.88Å; D1196-E1200 PolarHBondContact O-N 3.19Å
1197S67.6Low63.7Low70 Ų7098 Ų9849%0.4951%0.508SS..Hα-helixtrans-66-31.6174.179.30000113.4S1193 E1194 M1195 E1200 S1201S1193-S1197 PolarHBondContact O-N 3.33Å; E1194-S1197 WeakPolarHBondContact O-CB 3.22Å; E1194-S1197 PolarHBondContact O-N 2.76Å; E1194-S1197 VanDerWaalsContact O-N 3.16Å; E1194-S1197 PolarHBondContact O-OG 3.1Å; M1195-S1197 VanDerWaalsContact C-N 3.3Å; S1197-E1200 PolarHBondContact O-N 2.67Å; S1197-S1201 PolarHBondContact O-N 2.77Å; S1197-S1201 VanDerWaalsContact O-N 3.12Å
1198M67Low65.5Low56 Ų5689 Ų8928%0.27647%0.466SS..Hα-helixtrans-69.2-34.8177.7-68.8-177.675.700112.3E1194 M1195 D1196 E1200 S1201 I1205 P1214 T1216E1194-M1198 PolarHBondContact O-N 2.89Å; E1194-M1198 VanDerWaalsContact O-N 3.16Å; M1195-M1198 PolarHBondContact O-N 3.49Å; D1196-M1198 VanDerWaalsContact C-N 3.32Å; D1196-M1198 PolarHBondContact O-N 2.93Å; M1198-E1200 VanDerWaalsContact C-N 3.31Å; M1198-S1201 PolarHBondContact O-N 3.05Å; M1198-S1201 PolarHBondContact O-OG 2.75Å; M1198-I1205 HydrophobicContact CB-CD1 3.9Å; M1198-I1205 HydrophobicContact CE-CD1 3.63Å; M1198-I1205 HydrophobicContact CE-CG1 4.38Å; M1198-I1205 HydrophobicContact CE-CG2 4.19Å; M1198-I1205 HydrophobicContact CG-CD1 4.28Å; M1198-P1214 HydrophobicContact CB-CB 4.43Å; M1198-P1214 HydrophobicContact CB-CG 4.15Å; M1198-T1216 HydrophobicContact CE-CG2 3.85Å; M1198-T1216 HydrophobicContact SD-CG2 3.92Å
1199L64.9Low67.4Low39 Ų3983.7 Ų83.720%0.20444%0.438CS..Hα-helixtrans-70.7-25.3176-82.4150.3000113.1R1115 L1119 M1195 D1196 P1214R1115-L1199 HydrophobicContact CB-CD1 3.67Å; R1115-L1199 HydrophobicContact CG-CD1 3.73Å; L1119-L1199 HydrophobicContact CD2-CD2 3.34Å; L1119-L1199 HydrophobicContact CG-CD2 4.03Å; M1195-L1199 PolarHBondContact O-N 2.96Å; D1196-L1199 PolarHBondContact O-N 2.88Å; L1199-P1214 HydrophobicContact CG-CG 4.35Å
1200E64.2Low69.2Low159 Ų15980.3 Ų80.374%0.74342%0.417SS*.Hα-helixtrans-92.3-9.3175-65.6-167.3159.400113.2D1196 S1197 M1198D1196-E1200 PolarHBondContact O-N 3.19Å; S1197-E1200 PolarHBondContact O-N 2.67Å; M1198-E1200 VanDerWaalsContact C-N 3.31Å
1201S60.9Low70.9Confident43 Ų4373.3 Ų73.330%0.30138%0.381SS..SBendtrans-69.7137.3-178.878.90000112.1S1197 M1198 T1203 I1205S1197-S1201 PolarHBondContact O-N 2.77Å; S1197-S1201 VanDerWaalsContact O-N 3.12Å; M1198-S1201 PolarHBondContact O-N 3.05Å; M1198-S1201 PolarHBondContact O-OG 2.75Å; S1201-T1203 WeakPolarHBondContact CB-OG1 3.15Å; S1201-T1203 PolarHBondContact O-N 3.38Å; S1201-T1203 VanDerWaalsContact O-N 3.15Å; S1201-T1203 PolarHBondContact OG-O 3.09Å; S1201-T1203 PolarHBondContact OG-OG1 2.9Å; S1201-I1205 WeakPolarHBondContact OG-CD1 3.48Å
1202E55.7Low72.5Confident202 Ų20265.4 Ų65.494%0.94434%0.344SS*.SBendtrans-64.7-16.1175.5-69.3-171.4162.100113.1K1204E1202-K1204 PolarHBondContact O-N 2.82Å
1203T57.4Low73.9Confident95 Ų9564.7 Ų64.758%0.58334%0.339SS*.SBendtrans-71.3115.5174.239.70000110.1S1201 I1205S1201-T1203 WeakPolarHBondContact CB-OG1 3.15Å; S1201-T1203 PolarHBondContact O-N 3.38Å; S1201-T1203 VanDerWaalsContact O-N 3.15Å; S1201-T1203 PolarHBondContact OG-O 3.09Å; S1201-T1203 PolarHBondContact OG-OG1 2.9Å; T1203-I1205 VanDerWaalsContact C-N 3.26Å; T1203-I1205 PolarHBondContact O-N 2.91Å
1204K67.7Low75.1Confident211 Ų21161.5 Ų61.592%0.91732%0.316SS*.  trans-62.883.2173.4-78.4-174.3175.9-178.40111.1E1202E1202-K1204 PolarHBondContact O-N 2.82Å
1205I78.4Confident76.1Confident42 Ų4255.1 Ų55.122%0.21529%0.287CS..PPolyproline II helixtrans-74.8133.6170.1-63.3152.8000107.3M1198 S1201 T1203 I1207 P1214M1198-I1205 HydrophobicContact CB-CD1 3.9Å; M1198-I1205 HydrophobicContact CE-CD1 3.63Å; M1198-I1205 HydrophobicContact CE-CG1 4.38Å; M1198-I1205 HydrophobicContact CE-CG2 4.19Å; M1198-I1205 HydrophobicContact CG-CD1 4.28Å; S1201-I1205 WeakPolarHBondContact OG-CD1 3.48Å; T1203-I1205 VanDerWaalsContact C-N 3.26Å; T1203-I1205 PolarHBondContact O-N 2.91Å; I1205-I1207 PolarHBondContact O-N 2.76Å; I1205-P1214 HydrophobicContact CG2-CB 3.78Å
1206P83.6Confident77Confident48 Ų4857.1 Ų57.131%0.31230%0.301SS..PPolyproline II helixtrans-61.1135.6176.810.3-11.6000110.3I1215 F1220 C1229P1206-I1215 HydrophobicContact CB-CD1 4.4Å; P1206-I1215 WeakPolarHBondContact O-CB 3.5Å; P1206-I1215 WeakPolarHBondContact O-CG1 3.1Å; P1206-I1215 PolarHBondContact O-N 2.95Å; P1206-F1220 HydrophobicContact CG-CE1 4.47Å; P1206-F1220 HydrophobicContact CG-CZ 4.39Å; P1206-C1229 HydrophobicContact CB-CB 4.17Å
1207I88.1Confident77.7Confident42 Ų4258.2 Ų58.222%0.21531%0.307CS..BIsolated β-bridgetrans-99.7134.8-179.6-60.2166.4000108.3Y1097 L1119 I1205 V1209 C1229Y1097-I1207 HydrophobicContact CE1-CG2 4.35Å; L1119-I1207 HydrophobicContact CD1-CD1 3.88Å; L1119-I1207 HydrophobicContact CD1-CG2 3.69Å; L1119-I1207 HydrophobicContact CD2-CD1 3.31Å; L1119-I1207 HydrophobicContact CD2-CG1 4.33Å; L1119-I1207 HydrophobicContact CG-CD1 4.17Å; I1205-I1207 PolarHBondContact O-N 2.76Å; I1207-V1209 PolarHBondContact O-N 2.88Å; I1207-C1229 VanDerWaalsContact O-O 3.13Å
1208C91.2Very high78.3Confident0 Ų066 Ų660%033%0.328CS..  trans-70.2112.9174.5177.60000110V1210 T1211 G1212 Q1213 I1215 C1229 Y1231C1208-V1210 PolarHBondContact O-N 3.1Å; C1208-V1210 VanDerWaalsContact O-N 3.09Å; C1208-V1210 PolarHBondContact SG-N 3.07Å; C1208-T1211 WeakPolarHBondContact CB-OG1 3.5Å; C1208-T1211 PolarHBondContact O-N 3.11Å; C1208-T1211 PolarHBondContact SG-OG1 3.21Å; C1208-G1212 WeakPolarHBondContact O-CA 3.24Å; C1208-G1212 PolarHBondContact O-N 3.25Å; C1208-Q1213 WeakPolarHBondContact CB-O 3.28Å; C1208-Q1213 PolarHBondContact N-O 2.85Å; C1208-I1215 HydrophobicContact CB-CD1 4.18Å; C1208-I1215 HydrophobicContact CB-CG1 3.82Å; C1208-C1229 WeakPolarHBondContact CA-O 3.37Å; C1208-Y1231 HydrophobicContact CB-CD2 3.55Å; C1208-Y1231 HydrophobicContact CB-CE2 3.86Å; C1208-Y1231 PolarHBondContact SG-N 2.92Å; C1208-Y1231 VanDerWaalsContact SG-N 3.38Å
1209V90.8Very high79.1Confident0 Ų070.3 Ų70.30%035%0.347CS..THydrogen-bonded Turntrans-65.3-12.6179.1740000113.4H1096 I1207 H1228 C1229 A1230 P1242 L1243H1096-V1209 PolarHBondContact CE1-O 2.8Å; H1096-V1209 PolarHBondContact NE2-O 2.96Å; I1207-V1209 PolarHBondContact O-N 2.88Å; V1209-H1228 HydrophobicContact CB-CB 4.34Å; V1209-H1228 HydrophobicContact CG2-CB 4.46Å; V1209-C1229 WeakPolarHBondContact CG1-O 3.33Å; V1209-C1229 PolarHBondContact N-O 2.86Å; V1209-A1230 HydrophobicContact CG1-CB 4.19Å; V1209-P1242 HydrophobicContact CB-CG 4.49Å; V1209-P1242 HydrophobicContact CG1-CG 3.68Å; V1209-P1242 HydrophobicContact CG2-CG 4.33Å; V1209-L1243 HydrophobicContact CG2-CB 3.95Å
1210V90.7Very high80.2Confident26 Ų2672 Ų7216%0.15835%0.353CS..THydrogen-bonded Turntrans-86.6-38.8175-176.30000111.6L1100 C1208 A1230 E1234 I1235 L1238 P1242L1100-V1210 WeakPolarHBondContact CD1-O 3.33Å; C1208-V1210 PolarHBondContact O-N 3.1Å; C1208-V1210 VanDerWaalsContact O-N 3.09Å; C1208-V1210 PolarHBondContact SG-N 3.07Å; V1210-A1230 HydrophobicContact CG2-CB 3.87Å; V1210-E1234 HydrophobicContact CB-CB 4.15Å; V1210-E1234 HydrophobicContact CG1-CB 4.03Å; V1210-E1234 HydrophobicContact CG2-CB 4.46Å; V1210-I1235 HydrophobicContact CG2-CD1 3.81Å; V1210-L1238 HydrophobicContact CG1-CD1 4.03Å; V1210-L1238 HydrophobicContact CG2-CD1 3.94Å; V1210-P1242 HydrophobicContact CG2-CG 3.96Å
1211T89.4Confident81.6Confident17 Ų1766.7 Ų66.710%0.10433%0.326CS..THydrogen-bonded Turntrans-115.1-12.2-16962.10000114.5Q1104 T1116 C1208 Q1213 E1234Q1104-T1211 PolarHBondContact NE2-O 3.38Å; T1116-T1211 PolarHBondContact OG1-O 2.99Å; C1208-T1211 WeakPolarHBondContact CB-OG1 3.5Å; C1208-T1211 PolarHBondContact O-N 3.11Å; C1208-T1211 PolarHBondContact SG-OG1 3.21Å; T1211-Q1213 PolarHBondContact O-N 2.89Å; T1211-Q1213 PolarHBondContact O-NE2 2.9Å; T1211-Q1213 VanDerWaalsContact O-NE2 3.07Å; T1211-E1234 HydrophobicContact CG2-CB 4.37Å; T1211-E1234 HydrophobicContact CG2-CG 3.79Å
1212G87.7Confident83Confident0 Ų069.1 Ų69.10%033%0.334CS..  trans69.19.5-175.500000114C1208C1208-G1212 WeakPolarHBondContact O-CA 3.24Å; C1208-G1212 PolarHBondContact O-N 3.25Å
1213Q88.5Confident84.7Confident5 Ų559.5 Ų59.52%0.02329%0.289CS..SBendtrans-95.4146.3-178.7-54.3-49.8-60.900110.7Y1112 M1195 C1208 T1211 I1215 Y1231Y1112-Q1213 HydrophobicContact CD1-CG 3.87Å; Y1112-Q1213 HydrophobicContact CE1-CG 3.89Å; Y1112-Q1213 PolarHBondContact O-NE2 2.84Å; M1195-Q1213 HydrophobicContact CE-CB 3.82Å; M1195-Q1213 HydrophobicContact CE-CG 4.04Å; C1208-Q1213 WeakPolarHBondContact CB-O 3.28Å; C1208-Q1213 PolarHBondContact N-O 2.85Å; T1211-Q1213 PolarHBondContact O-N 2.89Å; T1211-Q1213 PolarHBondContact O-NE2 2.9Å; T1211-Q1213 VanDerWaalsContact O-NE2 3.07Å; Q1213-I1215 PolarHBondContact O-N 3.33Å; Q1213-Y1231 HydrophobicContact CB-CE2 4.44Å
1214P87Confident86.1Confident3 Ų358.1 Ų58.12%0.01928%0.281CS..BIsolated β-bridgetrans-57.5135.4169.322.1-30.9000110.1M1195 M1198 L1199 I1205 T1216 Y1231M1195-P1214 HydrophobicContact CE-CG 4.14Å; M1198-P1214 HydrophobicContact CB-CB 4.43Å; M1198-P1214 HydrophobicContact CB-CG 4.15Å; L1199-P1214 HydrophobicContact CG-CG 4.35Å; I1205-P1214 HydrophobicContact CG2-CB 3.78Å; P1214-T1216 PolarHBondContact O-N 2.98Å; P1214-Y1231 PolarHBondContact O-OH 3.3Å
1215I86.3Confident87.1Confident10 Ų1049.3 Ų49.35%0.05125%0.245CC..  trans-79.2113.2178-61.8-179.9000108.7P1206 C1208 Q1213 D1217 F1220 C1229 Y1231P1206-I1215 HydrophobicContact CB-CD1 4.4Å; P1206-I1215 WeakPolarHBondContact O-CB 3.5Å; P1206-I1215 WeakPolarHBondContact O-CG1 3.1Å; P1206-I1215 PolarHBondContact O-N 2.95Å; C1208-I1215 HydrophobicContact CB-CD1 4.18Å; C1208-I1215 HydrophobicContact CB-CG1 3.82Å; Q1213-I1215 PolarHBondContact O-N 3.33Å; I1215-D1217 HydrophobicContact CG2-CB 4.44Å; I1215-F1220 HydrophobicContact CD1-CB 4.02Å; I1215-F1220 HydrophobicContact CD1-CG 4.3Å; I1215-F1220 HydrophobicContact CG2-CB 3.86Å; I1215-F1220 HydrophobicContact CG2-CD1 4.05Å; I1215-F1220 HydrophobicContact CG2-CG 4.17Å; I1215-C1229 HydrophobicContact CD1-CB 3.65Å; I1215-Y1231 WeakPolarHBondContact CA-OH 3.25Å; I1215-Y1231 HydrophobicContact CB-CE1 4.39Å; I1215-Y1231 HydrophobicContact CG1-CD2 4.45Å; I1215-Y1231 HydrophobicContact CG1-CE2 4.24Å; I1215-Y1231 HydrophobicContact CG2-CD1 4.26Å; I1215-Y1231 HydrophobicContact CG2-CE1 3.97Å
1216T82.9Confident87.5Confident84 Ų8447.6 Ų47.652%0.51524%0.237SC..  trans-93.4-15.8175.352.50000113M1198 P1214 Y1231M1198-T1216 HydrophobicContact CE-CG2 3.85Å; M1198-T1216 HydrophobicContact SD-CG2 3.92Å; P1214-T1216 PolarHBondContact O-N 2.98Å; T1216-Y1231 PolarHBondContact N-OH 3.45Å; T1216-Y1231 VanDerWaalsContact N-OH 3.09Å; T1216-Y1231 PolarHBondContact OG1-OH 3.49Å
1217D81.6Confident87.8Confident70 Ų7051.3 Ų51.337%0.37425%0.248SC..SBendtrans-76142-177.4-67.4-3.7000111.3I1215 Q1219 Y1231I1215-D1217 HydrophobicContact CG2-CB 4.44Å; D1217-Q1219 VanDerWaalsContact C-N 3.27Å; D1217-Q1219 WeakPolarHBondContact CB-O 3.05Å; D1217-Q1219 PolarHBondContact O-N 3.31Å; D1217-Y1231 HydrophobicContact CB-CD1 4.25Å; D1217-Y1231 HydrophobicContact CB-CE1 4.11Å; D1217-Y1231 WeakPolarHBondContact OD2-CD1 3.29Å
1218Y80.9Confident87.9Confident235 Ų23550.7 Ų50.792%0.92224%0.244SC*.SBendtrans-69.3-26.7177.9-127.4-82.8000112.8
1219Q83.5Confident88Confident145 Ų14551.3 Ų51.368%0.67825%0.248SC*.  trans-111.2130.3175.5-72.1-177.6-2800109.4D1217D1217-Q1219 VanDerWaalsContact C-N 3.27Å; D1217-Q1219 WeakPolarHBondContact CB-O 3.05Å; D1217-Q1219 PolarHBondContact O-N 3.31Å
1220F88.7Confident88Confident76 Ų7651.3 Ų51.333%0.33325%0.248SC..  trans-150.4153.8178.956.3-94.8000109.9P1206 I1215 M1222 C1229P1206-F1220 HydrophobicContact CG-CE1 4.47Å; P1206-F1220 HydrophobicContact CG-CZ 4.39Å; I1215-F1220 HydrophobicContact CD1-CB 4.02Å; I1215-F1220 HydrophobicContact CD1-CG 4.3Å; I1215-F1220 HydrophobicContact CG2-CB 3.86Å; I1215-F1220 HydrophobicContact CG2-CD1 4.05Å; I1215-F1220 HydrophobicContact CG2-CG 4.17Å; F1220-M1222 HydrophobicContact CE2-CE 4.07Å; F1220-C1229 HydrophobicContact CD2-CB 3.8Å; F1220-C1229 HydrophobicContact CE2-CB 4.11Å; F1220-C1229 WeakPolarHBondContact CE2-SG 3.28Å
1221W91.8Very high88Confident46 Ų4651.5 Ų51.517%0.17425%0.247CC..EExtended strand (participates in β ladder)trans-84.1140.7177.7178.492.1000110.4C1223 C1229 A1230 E1232 I1235 C1241 V1248W1221-C1223 VanDerWaalsContact CH2-CA 3.45Å; W1221-C1223 HydrophobicContact CH2-CB 3.39Å; W1221-C1223 HydrophobicContact CZ2-CB 4.18Å; W1221-C1223 HydrophobicContact CZ3-CB 3.62Å; W1221-C1229 CarbonylContact O-C 3.5Å; W1221-C1229 WeakPolarHBondContact O-CA 3.38Å; W1221-A1230 HydrophobicContact CE3-CB 4.17Å; W1221-A1230 PolarHBondContact N-O 3.48Å; W1221-A1230 PolarHBondContact O-N 3.3Å; W1221-E1232 HydrophobicContact CB-CG 4.18Å; W1221-I1235 HydrophobicContact CB-CG2 3.68Å; W1221-I1235 HydrophobicContact CD2-CB 4.41Å; W1221-I1235 HydrophobicContact CD2-CG1 3.79Å; W1221-I1235 HydrophobicContact CD2-CG2 4.08Å; W1221-I1235 HydrophobicContact CE3-CB 4.35Å; W1221-I1235 HydrophobicContact CE3-CD1 3.96Å; W1221-I1235 HydrophobicContact CE3-CG1 3.62Å; W1221-I1235 HydrophobicContact CE3-CG2 4.47Å; W1221-I1235 HydrophobicContact CG-CG1 4.36Å; W1221-I1235 HydrophobicContact CG-CG2 3.75Å; W1221-I1235 HydrophobicContact CH2-CD1 4.2Å; W1221-I1235 HydrophobicContact CH2-CG1 4.19Å; W1221-I1235 HydrophobicContact CZ2-CG1 4.37Å; W1221-I1235 HydrophobicContact CZ3-CD1 3.73Å; W1221-I1235 HydrophobicContact CZ3-CG1 3.82Å; W1221-C1241 HydrophobicContact CH2-CB 3.82Å; W1221-C1241 HydrophobicContact CZ3-CB 4.47Å; W1221-V1248 HydrophobicContact CH2-CG2 4.22Å; W1221-V1248 HydrophobicContact CZ2-CG1 4.5Å; W1221-V1248 HydrophobicContact CZ2-CG2 3.93Å
1222M92Very high87.9Confident95 Ų9554.9 Ų54.947%0.46826%0.261SS..EExtended strand (participates in β ladder)trans-126.1127.1175.1-173.7-173-62.400109.9F1220 K1227F1220-M1222 HydrophobicContact CE2-CE 4.07Å; M1222-K1227 WeakPolarHBondContact CG-O 3.38Å; M1222-K1227 HydrophobicContact SD-CB 4.44Å; M1222-K1227 HydrophobicContact SD-CD 4.48Å
1223C89.6Confident87.9Confident0 Ų059.6 Ų59.60%029%0.286CS..  trans-64.9130.3-179.4-1770000111.5W1221 T1225 C1226 K1227 H1228 C1244W1221-C1223 VanDerWaalsContact CH2-CA 3.45Å; W1221-C1223 HydrophobicContact CH2-CB 3.39Å; W1221-C1223 HydrophobicContact CZ2-CB 4.18Å; W1221-C1223 HydrophobicContact CZ3-CB 3.62Å; C1223-T1225 VanDerWaalsContact C-N 3.29Å; C1223-T1225 PolarHBondContact O-N 3.14Å; C1223-C1226 WeakPolarHBondContact CB-SG 3.48Å; C1223-C1226 VanDerWaalsContact SG-SG 3.63Å; C1223-K1227 WeakPolarHBondContact O-CA 3.37Å; C1223-K1227 PolarHBondContact O-N 2.86Å; C1223-H1228 PolarHBondContact N-O 2.81Å; C1223-C1244 PolarHBondContact SG-SG 3.09Å
1224P87.9Confident87.9Confident66 Ų6662.2 Ų62.243%0.42930%0.298SS..THydrogen-bonded Turntrans-67.6-27.2-179.624.6-32.3000113.4K1227 F1246P1224-K1227 WeakPolarHBondContact O-CE 3.25Å; P1224-K1227 PolarHBondContact O-NZ 2.81Å; P1224-F1246 HydrophobicContact CG-CD1 3.6Å; P1224-F1246 HydrophobicContact CG-CE1 3.27Å; P1224-F1246 HydrophobicContact CG-CE2 4.37Å; P1224-F1246 HydrophobicContact CG-CG 4.29Å; P1224-F1246 HydrophobicContact CG-CZ 3.71Å
1225T87.4Confident88Confident26 Ų2662.1 Ų62.116%0.1630%0.298CS..THydrogen-bonded Turntrans-84.7-63.7178.3-49.90000112.1L1000 E1003 W1089 C1223 F1246L1000-T1225 HydrophobicContact CD2-CG2 3.82Å; E1003-T1225 HydrophobicContact CG-CG2 4.29Å; W1089-T1225 HydrophobicContact CH2-CG2 4.32Å; W1089-T1225 HydrophobicContact CZ2-CG2 4.02Å; C1223-T1225 VanDerWaalsContact C-N 3.29Å; C1223-T1225 PolarHBondContact O-N 3.14Å; T1225-F1246 WeakPolarHBondContact OG1-CD2 3.4Å; T1225-F1246 WeakPolarHBondContact OG1-CG 3.19Å
1226C88.2Confident88.1Confident5 Ų566.6 Ų66.63%0.03433%0.326CS..THydrogen-bonded Turntrans-87.6-10.5-174.566.20000115.7W1089 C1223 H1228 C1241 L1243 C1244W1089-C1226 HydrophobicContact CD2-CB 3.63Å; W1089-C1226 HydrophobicContact CE3-CB 3.89Å; W1089-C1226 HydrophobicContact CG-CB 4.12Å; W1089-C1226 HydrophobicContact CH2-CB 4.19Å; W1089-C1226 HydrophobicContact CZ2-CB 3.95Å; W1089-C1226 HydrophobicContact CZ3-CB 4.16Å; C1223-C1226 WeakPolarHBondContact CB-SG 3.48Å; C1223-C1226 VanDerWaalsContact SG-SG 3.63Å; C1226-H1228 PolarHBondContact O-N 3.33Å; C1226-H1228 PolarHBondContact O-ND1 2.95Å; C1226-C1241 VanDerWaalsContact SG-SG 3.69Å; C1226-L1243 HydrophobicContact CB-CD2 4.35Å; C1226-C1244 HydrophobicContact CB-CB 3.9Å
1227K89.5Confident88.3Confident126 Ų12669.1 Ų69.155%0.54833%0.329SS..  trans63.48.4-176.9-49.1-56.7-173.6-166.10116.3M1222 C1223 P1224M1222-K1227 WeakPolarHBondContact CG-O 3.38Å; M1222-K1227 HydrophobicContact SD-CB 4.44Å; M1222-K1227 HydrophobicContact SD-CD 4.48Å; C1223-K1227 WeakPolarHBondContact O-CA 3.37Å; C1223-K1227 PolarHBondContact O-N 2.86Å; P1224-K1227 WeakPolarHBondContact O-CE 3.25Å; P1224-K1227 PolarHBondContact O-NZ 2.81Å
1228H90.2Very high88.5Confident30 Ų3069 Ų6914%0.13933%0.328CS..  trans-74.7148.1171.5-70.676.1000112.5E1093 V1209 C1223 C1226 L1243E1093-H1228 IonicContact OE1-CD2 3.55Å; E1093-H1228 PolarHBondContact OE1-CD2 3.49Å; E1093-H1228 IonicContact OE1-NE2 3.43Å; E1093-H1228 PolarHBondContact OE1-NE2 3.34Å; E1093-H1228 IonicContact OE2-NE2 2.68Å; E1093-H1228 PolarHBondContact OE2-NE2 2.87Å; V1209-H1228 HydrophobicContact CB-CB 4.34Å; V1209-H1228 HydrophobicContact CG2-CB 4.46Å; C1223-H1228 PolarHBondContact N-O 2.81Å; C1226-H1228 PolarHBondContact O-N 3.33Å; C1226-H1228 PolarHBondContact O-ND1 2.95Å; H1228-L1243 HydrophobicContact CB-CD2 4.29Å; H1228-L1243 VanDerWaalsContact CE1-CD2 3.47Å; H1228-L1243 WeakPolarHBondContact CE1-CD2 3.48Å; H1228-L1243 WeakPolarHBondContact ND1-CD2 3.43Å
1229C92.9Very high88.8Confident13 Ų1365.8 Ų65.89%0.08832%0.322CS..EExtended strand (participates in β ladder)trans-101.7154.6-172.4-57.80000112.4P1206 I1207 C1208 V1209 I1215 F1220 W1221P1206-C1229 HydrophobicContact CB-CB 4.17Å; I1207-C1229 VanDerWaalsContact O-O 3.13Å; C1208-C1229 WeakPolarHBondContact CA-O 3.37Å; V1209-C1229 WeakPolarHBondContact CG1-O 3.33Å; V1209-C1229 PolarHBondContact N-O 2.86Å; I1215-C1229 HydrophobicContact CD1-CB 3.65Å; F1220-C1229 HydrophobicContact CD2-CB 3.8Å; F1220-C1229 HydrophobicContact CE2-CB 4.11Å; F1220-C1229 WeakPolarHBondContact CE2-SG 3.28Å; W1221-C1229 CarbonylContact O-C 3.5Å; W1221-C1229 WeakPolarHBondContact O-CA 3.38Å
1230A90.9Very high89.2Confident0 Ų062.1 Ų62.10%031%0.307CS..EExtended strand (participates in β ladder)trans-147.7153.417200000111.1V1209 V1210 W1221 E1232 I1235V1209-A1230 HydrophobicContact CG1-CB 4.19Å; V1210-A1230 HydrophobicContact CG2-CB 3.87Å; W1221-A1230 HydrophobicContact CE3-CB 4.17Å; W1221-A1230 PolarHBondContact N-O 3.48Å; W1221-A1230 PolarHBondContact O-N 3.3Å; A1230-E1232 PolarHBondContact O-N 3.02Å; A1230-I1235 HydrophobicContact CB-CB 3.9Å; A1230-I1235 HydrophobicContact CB-CD1 4.06Å; A1230-I1235 HydrophobicContact CB-CG1 4.3Å
1231Y90.9Very high89.2Confident30 Ų3058.5 Ų58.512%0.11829%0.291CS..  trans-57.4130.4166.3-73.6-72.9000109.5C1208 Q1213 P1214 I1215 T1216 D1217 N1233 E1234 I1235C1208-Y1231 HydrophobicContact CB-CD2 3.55Å; C1208-Y1231 HydrophobicContact CB-CE2 3.86Å; C1208-Y1231 PolarHBondContact SG-N 2.92Å; C1208-Y1231 VanDerWaalsContact SG-N 3.38Å; Q1213-Y1231 HydrophobicContact CB-CE2 4.44Å; P1214-Y1231 PolarHBondContact O-OH 3.3Å; I1215-Y1231 WeakPolarHBondContact CA-OH 3.25Å; I1215-Y1231 HydrophobicContact CB-CE1 4.39Å; I1215-Y1231 HydrophobicContact CG1-CD2 4.45Å; I1215-Y1231 HydrophobicContact CG1-CE2 4.24Å; I1215-Y1231 HydrophobicContact CG2-CD1 4.26Å; I1215-Y1231 HydrophobicContact CG2-CE1 3.97Å; T1216-Y1231 PolarHBondContact N-OH 3.45Å; T1216-Y1231 VanDerWaalsContact N-OH 3.09Å; T1216-Y1231 PolarHBondContact OG1-OH 3.49Å; D1217-Y1231 HydrophobicContact CB-CD1 4.25Å; D1217-Y1231 HydrophobicContact CB-CE1 4.11Å; D1217-Y1231 WeakPolarHBondContact OD2-CD1 3.29Å; Y1231-N1233 PolarHBondContact O-N 2.83Å; Y1231-E1234 PolarHBondContact O-N 2.92Å; Y1231-I1235 PolarHBondContact O-N 2.79Å
1232E87.4Confident89.1Confident87 Ų8757.4 Ų57.441%0.40729%0.29SS..Hα-helixtrans-54.6-40-179.8-92.3-176.2158.800111.7W1221 A1230 E1234 I1235 T1236W1221-E1232 HydrophobicContact CB-CG 4.18Å; A1230-E1232 PolarHBondContact O-N 3.02Å; E1232-E1234 PolarHBondContact O-N 2.85Å; E1232-I1235 WeakPolarHBondContact O-CG2 3.47Å; E1232-T1236 WeakPolarHBondContact O-CB 3.49Å; E1232-T1236 VanDerWaalsContact O-CG2 3.23Å; E1232-T1236 WeakPolarHBondContact O-CG2 3.17Å; E1232-T1236 PolarHBondContact O-N 3.02Å; E1232-T1236 VanDerWaalsContact O-N 3.15Å; E1232-T1236 PolarHBondContact O-OG1 3.37Å
1233N87.6Confident89.1Confident100 Ų10052.9 Ų52.954%0.53527%0.267SS..Hα-helixtrans-65.6-28-178.8-38.1-10.9000112.2Y1231 T1236 K1237Y1231-N1233 PolarHBondContact O-N 2.83Å; N1233-T1236 PolarHBondContact O-OG1 2.88Å; N1233-K1237 VanDerWaalsContact O-CE 3.24Å; N1233-K1237 WeakPolarHBondContact O-CE 3.45Å
1234E88.1Confident89Confident59 Ų5953.2 Ų53.228%0.27627%0.269SS..Hα-helixtrans-93.6-37.3-178-67.3-60.5147.300111.8V1210 T1211 Y1231 E1232 K1237V1210-E1234 HydrophobicContact CB-CB 4.15Å; V1210-E1234 HydrophobicContact CG1-CB 4.03Å; V1210-E1234 HydrophobicContact CG2-CB 4.46Å; T1211-E1234 HydrophobicContact CG2-CB 4.37Å; T1211-E1234 HydrophobicContact CG2-CG 3.79Å; Y1231-E1234 PolarHBondContact O-N 2.92Å; E1232-E1234 PolarHBondContact O-N 2.85Å; E1234-K1237 WeakPolarHBondContact O-CB 3.47Å; E1234-K1237 PolarHBondContact O-N 3.06Å; E1234-K1237 IonicContact OE1-NZ 3.04Å; E1234-K1237 PolarHBondContact OE1-NZ 2.85Å; E1234-K1237 IonicContact OE2-NZ 3.9Å; E1234-K1237 PolarHBondContact OE2-NZ 2.77Å
1235I89.9Confident89Confident1 Ų153.6 Ų53.61%0.00527%0.265CS..Hα-helixtrans-71.5-33.2179.5-16168.4000112.3V1210 W1221 A1230 Y1231 E1232 K1237 L1238 V1248V1210-I1235 HydrophobicContact CG2-CD1 3.81Å; W1221-I1235 HydrophobicContact CB-CG2 3.68Å; W1221-I1235 HydrophobicContact CD2-CB 4.41Å; W1221-I1235 HydrophobicContact CD2-CG1 3.79Å; W1221-I1235 HydrophobicContact CD2-CG2 4.08Å; W1221-I1235 HydrophobicContact CE3-CB 4.35Å; W1221-I1235 HydrophobicContact CE3-CD1 3.96Å; W1221-I1235 HydrophobicContact CE3-CG1 3.62Å; W1221-I1235 HydrophobicContact CE3-CG2 4.47Å; W1221-I1235 HydrophobicContact CG-CG1 4.36Å; W1221-I1235 HydrophobicContact CG-CG2 3.75Å; W1221-I1235 HydrophobicContact CH2-CD1 4.2Å; W1221-I1235 HydrophobicContact CH2-CG1 4.19Å; W1221-I1235 HydrophobicContact CZ2-CG1 4.37Å; W1221-I1235 HydrophobicContact CZ3-CD1 3.73Å; W1221-I1235 HydrophobicContact CZ3-CG1 3.82Å; A1230-I1235 HydrophobicContact CB-CB 3.9Å; A1230-I1235 HydrophobicContact CB-CD1 4.06Å; A1230-I1235 HydrophobicContact CB-CG1 4.3Å; Y1231-I1235 PolarHBondContact O-N 2.79Å; E1232-I1235 WeakPolarHBondContact O-CG2 3.47Å; I1235-K1237 PolarHBondContact O-N 2.94Å; I1235-K1237 VanDerWaalsContact O-N 3.16Å; I1235-L1238 PolarHBondContact O-N 3.04Å; I1235-V1248 HydrophobicContact CD1-CG2 4.14Å; I1235-V1248 HydrophobicContact CG1-CG1 4.17Å; I1235-V1248 HydrophobicContact CG1-CG2 3.79Å
1236T87.3Confident89Confident104 Ų10455.8 Ų55.864%0.63827%0.273SS*.THydrogen-bonded Turntrans-64.2-17.2176.946.20000113.1E1232 N1233 L1238E1232-T1236 WeakPolarHBondContact O-CB 3.49Å; E1232-T1236 VanDerWaalsContact O-CG2 3.23Å; E1232-T1236 WeakPolarHBondContact O-CG2 3.17Å; E1232-T1236 PolarHBondContact O-N 3.02Å; E1232-T1236 VanDerWaalsContact O-N 3.15Å; E1232-T1236 PolarHBondContact O-OG1 3.37Å; N1233-T1236 PolarHBondContact O-OG1 2.88Å; T1236-L1238 VanDerWaalsContact C-N 3.27Å
1237K88.3Confident88.8Confident137 Ų13758.3 Ų58.360%0.59629%0.289SS*.THydrogen-bonded Turntrans-78.6-9.7172-57.6174.7-170.2162.40113N1233 E1234 I1235N1233-K1237 VanDerWaalsContact O-CE 3.24Å; N1233-K1237 WeakPolarHBondContact O-CE 3.45Å; E1234-K1237 WeakPolarHBondContact O-CB 3.47Å; E1234-K1237 PolarHBondContact O-N 3.06Å; E1234-K1237 IonicContact OE1-NZ 3.04Å; E1234-K1237 PolarHBondContact OE1-NZ 2.85Å; E1234-K1237 IonicContact OE2-NZ 3.9Å; E1234-K1237 PolarHBondContact OE2-NZ 2.77Å; I1235-K1237 PolarHBondContact O-N 2.94Å; I1235-K1237 VanDerWaalsContact O-N 3.16Å
1238L85.4Confident88.3Confident67 Ų6753.5 Ų53.535%0.35127%0.27SS..  trans-117.5136.7-178.1-61.4176.1000109.9V1210 I1235 T1236 N1240 P1242V1210-L1238 HydrophobicContact CG1-CD1 4.03Å; V1210-L1238 HydrophobicContact CG2-CD1 3.94Å; I1235-L1238 PolarHBondContact O-N 3.04Å; T1236-L1238 VanDerWaalsContact C-N 3.27Å; L1238-N1240 VanDerWaalsContact C-N 3.27Å; L1238-N1240 PolarHBondContact O-N 3.27Å; L1238-P1242 HydrophobicContact CD1-CB 4.09Å; L1238-P1242 HydrophobicContact CD1-CG 4.24Å
1239H88.1Confident87.3Confident169 Ų16963.7 Ų63.778%0.78232%0.318SS*.SBendtrans-71.9-22.6176.2-66.9-60.7000113.4V1248H1239-V1248 PolarHBondContact O-N 3.02Å
1240N90.5Very high87Confident68 Ų6866.2 Ų66.236%0.36433%0.329SS..BIsolated β-bridgetrans-137.9150.3-173.4-63.2-21.7000110.4L1238 F1246 P1247L1238-N1240 VanDerWaalsContact C-N 3.27Å; L1238-N1240 PolarHBondContact O-N 3.27Å; N1240-F1246 CarbonylContact C-O 3.44Å; N1240-F1246 WeakPolarHBondContact CA-O 3.33Å; N1240-P1247 WeakPolarHBondContact OD1-CA 3.37Å
1241C89.7Confident86.8Confident0 Ų069.7 Ų69.70%035%0.347CS..  trans-52.4124.3170.3-177.10000109.9W1221 C1226 L1243 H1245 F1246W1221-C1241 HydrophobicContact CH2-CB 3.82Å; W1221-C1241 HydrophobicContact CZ3-CB 4.47Å; C1226-C1241 VanDerWaalsContact SG-SG 3.69Å; C1241-L1243 PolarHBondContact O-N 3.12Å; C1241-L1243 VanDerWaalsContact O-N 3.08Å; C1241-H1245 WeakPolarHBondContact O-CA 3.35Å; C1241-H1245 PolarHBondContact O-N 2.84Å; C1241-F1246 HydrophobicContact CB-CB 4.35Å; C1241-F1246 PolarHBondContact N-O 3.25Å
1242P89.8Confident86.6Confident23 Ų2371.9 Ų71.915%0.14936%0.359CS..THydrogen-bonded Turntrans-72.8-6.9-173.533.8-41000113.4K992 H1096 V1209 V1210 L1238K992-P1242 PolarHBondContact NZ-O 2.79Å; H1096-P1242 PolarHBondContact ND1-O 3.39Å; V1209-P1242 HydrophobicContact CB-CG 4.49Å; V1209-P1242 HydrophobicContact CG1-CG 3.68Å; V1209-P1242 HydrophobicContact CG2-CG 4.33Å; V1210-P1242 HydrophobicContact CG2-CG 3.96Å; L1238-P1242 HydrophobicContact CD1-CB 4.09Å; L1238-P1242 HydrophobicContact CD1-CG 4.24Å
1243L90.8Very high86.6Confident0 Ų071 Ų710%036%0.357CS..THydrogen-bonded Turntrans-94.3-64.6173.3-170.965.6000112.1V996 A1092 H1096 V1209 C1226 H1228 C1241V996-L1243 VanDerWaalsContact CG2-O 3.24Å; V996-L1243 WeakPolarHBondContact CG2-O 3.44Å; A1092-L1243 HydrophobicContact CB-CD1 3.96Å; H1096-L1243 HydrophobicContact CB-CD1 3.69Å; V1209-L1243 HydrophobicContact CG2-CB 3.95Å; C1226-L1243 HydrophobicContact CB-CD2 4.35Å; H1228-L1243 HydrophobicContact CB-CD2 4.29Å; H1228-L1243 VanDerWaalsContact CE1-CD2 3.47Å; H1228-L1243 WeakPolarHBondContact CE1-CD2 3.48Å; H1228-L1243 WeakPolarHBondContact ND1-CD2 3.43Å; C1241-L1243 PolarHBondContact O-N 3.12Å; C1241-L1243 VanDerWaalsContact O-N 3.08Å
1244C88.8Confident86.5Confident6 Ų669.2 Ų69.24%0.04135%0.346CS..THydrogen-bonded Turntrans-98.6-3-173.369.70000115.2W1089 C1223 C1226 F1246W1089-C1244 HydrophobicContact CE3-CB 4.32Å; W1089-C1244 HydrophobicContact CH2-CB 3.46Å; W1089-C1244 VanDerWaalsContact CH2-CB 3.46Å; W1089-C1244 HydrophobicContact CZ2-CB 4.4Å; W1089-C1244 HydrophobicContact CZ3-CB 3.4Å; W1089-C1244 VanDerWaalsContact CZ3-CB 3.4Å; C1223-C1244 PolarHBondContact SG-SG 3.09Å; C1226-C1244 HydrophobicContact CB-CB 3.9Å; C1244-F1246 PolarHBondContact O-N 3.26Å
1245H87.9Confident86.4Confident75 Ų7569.9 Ų69.935%0.34735%0.35SS..  trans62.417.5-177-63.8-93.3000116C1241C1241-H1245 WeakPolarHBondContact O-CA 3.35Å; C1241-H1245 PolarHBondContact O-N 2.84Å
1246F86.5Confident86.1Confident71 Ų7174.8 Ų74.831%0.31138%0.375SS..  trans-61132.6169.8-173.1-93.1000110.8P1224 T1225 N1240 C1241 C1244 V1248P1224-F1246 HydrophobicContact CG-CD1 3.6Å; P1224-F1246 HydrophobicContact CG-CE1 3.27Å; P1224-F1246 HydrophobicContact CG-CE2 4.37Å; P1224-F1246 HydrophobicContact CG-CG 4.29Å; P1224-F1246 HydrophobicContact CG-CZ 3.71Å; T1225-F1246 WeakPolarHBondContact OG1-CD2 3.4Å; T1225-F1246 WeakPolarHBondContact OG1-CG 3.19Å; N1240-F1246 CarbonylContact C-O 3.44Å; N1240-F1246 WeakPolarHBondContact CA-O 3.33Å; C1241-F1246 HydrophobicContact CB-CB 4.35Å; C1241-F1246 PolarHBondContact N-O 3.25Å; C1244-F1246 PolarHBondContact O-N 3.26Å; F1246-V1248 PolarHBondContact O-N 3.34Å
1247P84.4Confident86.1Confident58 Ų5872.5 Ų72.538%0.37736%0.355SS..BIsolated β-bridgetrans-57.4125.8179.3-21.531.4000111.7N1240 Q1249N1240-P1247 WeakPolarHBondContact OD1-CA 3.37Å; P1247-Q1249 PolarHBondContact O-N 2.89Å
1248V79.5Confident85.9Confident25 Ų2567.2 Ų67.215%0.15233%0.334CS..  trans-78.3113.2169.7-176.30000105.5W1221 I1235 H1239 F1246W1221-V1248 HydrophobicContact CH2-CG2 4.22Å; W1221-V1248 HydrophobicContact CZ2-CG1 4.5Å; W1221-V1248 HydrophobicContact CZ2-CG2 3.93Å; I1235-V1248 HydrophobicContact CD1-CG2 4.14Å; I1235-V1248 HydrophobicContact CG1-CG1 4.17Å; I1235-V1248 HydrophobicContact CG1-CG2 3.79Å; H1239-V1248 PolarHBondContact O-N 3.02Å; F1246-V1248 PolarHBondContact O-N 3.34Å
1249Q69.1Low85.9Confident244 Ų24467.2 Ų67.2100%1.1433%0.333SS*.  trans-79.60178.1-73.4-173.6-18.500111.7P1247P1247-Q1249 PolarHBondContact O-N 2.89Å

Retrieved 1,249 of 1,249 residues in 1003.2 ms (Link to these results)

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