A0A5K4F9P7_SCHMA Loading...

Serine/threonine-protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F9P7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 465 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
1M62.4Low78.9Confident184 Ų18459.1 Ų59.191%0.90635%0.351SS*.  0130.20-81.9-179.1-164.300107.2V3M1-V3 HydrophobicContact CB-CG2 4.43Å; M1-V3 PolarHBondContact O-N 3.1Å
2S76.6Confident78.2Confident95 Ų9558.2 Ų58.266%0.66435%0.346SS*.  trans-76.6106172.41700000108.4
3V83.9Confident76.4Confident11 Ų1156.9 Ų56.97%0.06734%0.339CS..EExtended strand (participates in β ladder)trans-101.5136.4175.6-175.30000108.1M1 L27 K28 A29 W34 V85 I91 L102M1-V3 HydrophobicContact CB-CG2 4.43Å; M1-V3 PolarHBondContact O-N 3.1Å; V3-L27 HydrophobicContact CG1-CD2 3.92Å; V3-K28 CarbonylContact C-O 3.58Å; V3-K28 WeakPolarHBondContact CA-O 3.37Å; V3-A29 HydrophobicContact CB-CB 4.48Å; V3-A29 HydrophobicContact CG2-CB 3.95Å; V3-W34 HydrophobicContact CG1-CH2 3.86Å; V3-W34 HydrophobicContact CG1-CZ2 4.38Å; V3-W34 HydrophobicContact CG2-CH2 4.5Å; V3-V85 HydrophobicContact CB-CB 4.23Å; V3-V85 HydrophobicContact CB-CG1 4.1Å; V3-V85 HydrophobicContact CG1-CB 4.37Å; V3-V85 HydrophobicContact CG1-CG1 3.83Å; V3-I91 HydrophobicContact CB-CD1 3.74Å; V3-I91 HydrophobicContact CG2-CD1 3.61Å; V3-L102 HydrophobicContact CG1-CD2 4.29Å; V3-L102 HydrophobicContact CG2-CD2 3.74Å
4S85.5Confident74.4Confident56 Ų5663.4 Ų63.439%0.39236%0.361SS..EExtended strand (participates in β ladder)trans-129144.4179.455.30000110.7L27 K28S4-L27 WeakPolarHBondContact O-CA 3.37Å; S4-K28 PolarHBondContact N-O 3.45Å; S4-K28 PolarHBondContact O-N 3.43Å; S4-K28 PolarHBondContact OG-O 2.65Å
5V83.1Confident72.6Confident16 Ų1664.3 Ų64.310%0.09736%0.364CS..EExtended strand (participates in β ladder)trans-89.4119.6175.1-178.50000108.8L27 V81 K82 V85V5-L27 HydrophobicContact CG2-CD2 4.06Å; V5-V81 HydrophobicContact CG2-CB 4.07Å; V5-V81 HydrophobicContact CG2-CG1 3.5Å; V5-V81 VanDerWaalsContact CG2-CG1 3.5Å; V5-K82 HydrophobicContact CB-CG 3.9Å; V5-K82 HydrophobicContact CG2-CG 4.06Å; V5-V85 HydrophobicContact CG2-CG2 3.76Å
6V78.5Confident71Confident96 Ų9670.6 Ų70.658%0.58239%0.389SS*.EExtended strand (participates in β ladder)trans-76.6-41.4174.9-175.50000109.9H26 K28V6-H26 HydrophobicContact CB-CB 4.02Å; V6-H26 PolarHBondContact N-O 3.01Å; V6-K28 HydrophobicContact CG2-CB 3.82Å
7G82.9Confident69.2Low20 Ų2070.8 Ų70.821%0.20641%0.41CS..EExtended strand (participates in β ladder)trans176.4173.6176.700000113.1H26G7-H26 PolarHBondContact O-N 3.05Å
8I85Confident67.8Low14 Ų1475.8 Ų75.87%0.07243%0.426CS..EExtended strand (participates in β ladder)trans-124.9129.9169.2-64.6-172.3000108.3F23 I24 I25 F43 R74 L77 C78 V81I8-F23 HydrophobicContact CG2-CB 4.07Å; I8-F23 HydrophobicContact CG2-CD1 4.16Å; I8-I24 VanDerWaalsContact CA-O 3.27Å; I8-I24 WeakPolarHBondContact CA-O 3.34Å; I8-I25 HydrophobicContact CD1-CG1 4.11Å; I8-I25 HydrophobicContact CD1-CG2 4.5Å; I8-I25 HydrophobicContact CG1-CB 4.46Å; I8-I25 HydrophobicContact CG1-CG1 4.29Å; I8-I25 HydrophobicContact CG1-CG2 4.29Å; I8-F43 HydrophobicContact CD1-CE1 4.44Å; I8-R74 HydrophobicContact CG2-CG 4.31Å; I8-R74 VanDerWaalsContact O-CD 3.26Å; I8-R74 WeakPolarHBondContact O-CD 3.43Å; I8-R74 WeakPolarHBondContact O-CG 3.27Å; I8-L77 HydrophobicContact CD1-CB 4.12Å; I8-C78 HydrophobicContact CB-CB 4.43Å; I8-C78 HydrophobicContact CD1-CB 4.22Å; I8-C78 HydrophobicContact CG1-CB 4.24Å; I8-V81 HydrophobicContact CD1-CB 4.41Å; I8-V81 HydrophobicContact CD1-CG2 3.8Å
9S81.5Confident67.4Low43 Ų4377.2 Ų77.230%0.30142%0.424SS..EExtended strand (participates in β ladder)trans-108.6161.1165.947.40000110.3F23 I24 H26S9-F23 CarbonylContact O-C 3.5Å; S9-F23 WeakPolarHBondContact O-CA 3.48Å; S9-I24 PolarHBondContact N-O 2.9Å; S9-I24 PolarHBondContact O-N 3.44Å; S9-H26 PolarHBondContact OG-NE2 3.35Å
10D80.7Confident67.4Low54 Ų5476.4 Ų76.429%0.28942%0.419SS..EExtended strand (participates in β ladder)trans-131.7146.6-18063-58.2000111.5T21 K22 F23 R74D10-T21 HydrophobicContact CB-CG2 4.14Å; D10-K22 CarbonylContact C-O 3.57Å; D10-K22 VanDerWaalsContact CA-O 3.26Å; D10-K22 WeakPolarHBondContact CA-O 3.48Å; D10-F23 HydrophobicContact CB-CD1 3.62Å; D10-F23 HydrophobicContact CB-CE1 3.7Å; D10-R74 WeakPolarHBondContact OD1-CD 3.47Å; D10-R74 IonicContact OD1-NH1 3.45Å
11H67.4Low67.8Low61 Ų6173.7 Ų73.728%0.28241%0.405SS..EExtended strand (participates in β ladder)trans-134.4118.3179.3-169.966.3000109.4T21 K22 N185H11-T21 CarbonylContact O-C 3.54Å; H11-T21 WeakPolarHBondContact O-CA 3.24Å; H11-K22 PolarHBondContact N-O 3.17Å; H11-K22 PolarHBondContact O-N 3.4Å; H11-N185 PolarHBondContact CE1-ND2 2.9Å
12T70.5Confident68.9Low48 Ų4867 Ų6729%0.29437%0.371SS..EExtended strand (participates in β ladder)trans-108.6129.7-176.7-59.20000110.9F14 R19 N20 T21T12-F14 HydrophobicContact CG2-CE2 4.41Å; T12-R19 HydrophobicContact CG2-CG 3.34Å; T12-N20 WeakPolarHBondContact CA-O 3.36Å; T12-T21 WeakPolarHBondContact CG2-OG1 3.41Å; T12-T21 WeakPolarHBondContact OG1-CB 3.46Å; T12-T21 VanDerWaalsContact OG1-CG2 3.26Å; T12-T21 WeakPolarHBondContact OG1-CG2 3.22Å; T12-T21 PolarHBondContact OG1-OG1 3.3Å
13T55.6Low69.4Low42 Ų4262.8 Ų62.826%0.25834%0.34SS..EExtended strand (participates in β ladder)trans-121.7154.5174.653.40000109.2N20T13-N20 PolarHBondContact N-O 3.43Å; T13-N20 PolarHBondContact O-N 3.08Å; T13-N20 PolarHBondContact OG1-O 3.14Å
14F47.9Very low69.6Low148 Ų14864.3 Ų64.365%0.64935%0.348SS*.EExtended strand (participates in β ladder)trans-109.9120.1171.8-76.9-95.8000108.6T12 R19T12-F14 HydrophobicContact CG2-CE2 4.41Å; F14-R19 HydrophobicContact CD1-CB 4.05Å; F14-R19 HydrophobicContact CE1-CB 3.64Å; F14-R19 HydrophobicContact CE1-CG 4.02Å; F14-R19 HydrophobicContact CE2-CG 4.32Å; F14-R19 HydrophobicContact CZ-CB 4.04Å; F14-R19 HydrophobicContact CZ-CG 3.88Å
15I48.2Very low69.8Low77 Ų7761.7 Ų61.740%0.39533%0.329SS..EExtended strand (participates in β ladder)trans-121.8118.8-179-63.3174.4000106.4G17 K18 N20I15-G17 VanDerWaalsContact C-N 3.28Å; I15-G17 PolarHBondContact O-N 2.78Å; I15-K18 PolarHBondContact N-O 3.36Å; I15-K18 WeakPolarHBondContact O-CA 3.3Å; I15-K18 WeakPolarHBondContact O-CB 3.18Å; I15-K18 PolarHBondContact O-N 2.98Å; I15-K18 VanDerWaalsContact O-O 3.13Å; I15-N20 HydrophobicContact CD1-CB 4.35Å
16H45.9Very low70Confident165 Ų16564 Ų6476%0.76434%0.339SS*.THydrogen-bonded Turntrans5339.8-176.5-57.391.7000114.1K18H16-K18 PolarHBondContact O-N 3.03Å
17G41.3Very low70.6Confident73 Ų7359.4 Ų59.475%0.75331%0.311SS*.THydrogen-bonded Turntrans70.7-4.6-175.300000114.8I15I15-G17 VanDerWaalsContact C-N 3.28Å; I15-G17 PolarHBondContact O-N 2.78Å
18K43.3Very low70.7Confident162 Ų16262.4 Ų62.470%0.70432%0.319SS*.EExtended strand (participates in β ladder)trans-93.3128.7173.3-76.2-176.4176.5177.40110.7I15 H16 N20I15-K18 PolarHBondContact N-O 3.36Å; I15-K18 WeakPolarHBondContact O-CA 3.3Å; I15-K18 WeakPolarHBondContact O-CB 3.18Å; I15-K18 PolarHBondContact O-N 2.98Å; I15-K18 VanDerWaalsContact O-O 3.13Å; H16-K18 PolarHBondContact O-N 3.03Å; K18-N20 PolarHBondContact O-N 3.47Å
19R61.1Low70.8Confident102 Ų10262.2 Ų62.239%0.38532%0.319SS..EExtended strand (participates in β ladder)trans-72.7119.8177.2-172.6-179.3134.2-175.30.1110.4T12 F14 T21T12-R19 HydrophobicContact CG2-CG 3.34Å; F14-R19 HydrophobicContact CD1-CB 4.05Å; F14-R19 HydrophobicContact CE1-CB 3.64Å; F14-R19 HydrophobicContact CE1-CG 4.02Å; F14-R19 HydrophobicContact CE2-CG 4.32Å; F14-R19 HydrophobicContact CZ-CB 4.04Å; F14-R19 HydrophobicContact CZ-CG 3.88Å; R19-T21 PolarHBondContact NE-OG1 2.87Å
20N66.9Low70.8Confident61 Ų6165.7 Ų65.733%0.32633%0.334SS..EExtended strand (participates in β ladder)trans-114.7109.1174.2-92.6-45.4000110.5T12 T13 I15 K18T12-N20 WeakPolarHBondContact CA-O 3.36Å; T13-N20 PolarHBondContact N-O 3.43Å; T13-N20 PolarHBondContact O-N 3.08Å; T13-N20 PolarHBondContact OG1-O 3.14Å; I15-N20 HydrophobicContact CD1-CB 4.35Å; K18-N20 PolarHBondContact O-N 3.47Å
21T75.5Confident70.7Confident19 Ų1971.4 Ų71.412%0.11737%0.365CS..EExtended strand (participates in β ladder)trans-104.3122.1177.9-55.90000110.7D10 H11 T12 R19 F23D10-T21 HydrophobicContact CB-CG2 4.14Å; H11-T21 CarbonylContact O-C 3.54Å; H11-T21 WeakPolarHBondContact O-CA 3.24Å; T12-T21 WeakPolarHBondContact CG2-OG1 3.41Å; T12-T21 WeakPolarHBondContact OG1-CB 3.46Å; T12-T21 VanDerWaalsContact OG1-CG2 3.26Å; T12-T21 WeakPolarHBondContact OG1-CG2 3.22Å; T12-T21 PolarHBondContact OG1-OG1 3.3Å; R19-T21 PolarHBondContact NE-OG1 2.87Å; T21-F23 HydrophobicContact CG2-CE1 4.16Å; T21-F23 HydrophobicContact CG2-CE2 3.94Å; T21-F23 HydrophobicContact CG2-CZ 3.7Å
22K85.7Confident71.2Confident43 Ų4375.3 Ų75.319%0.18738%0.377CS..EExtended strand (participates in β ladder)trans-94.6144.2169.7-65.7175.4177.3179.10109.6D10 H11 T37 Y39D10-K22 CarbonylContact C-O 3.57Å; D10-K22 VanDerWaalsContact CA-O 3.26Å; D10-K22 WeakPolarHBondContact CA-O 3.48Å; H11-K22 PolarHBondContact N-O 3.17Å; H11-K22 PolarHBondContact O-N 3.4Å; K22-T37 HydrophobicContact CB-CG2 4.08Å; K22-T37 HydrophobicContact CD-CG2 4.18Å; K22-T37 HydrophobicContact CG-CG2 4.38Å; K22-Y39 HydrophobicContact CD-CE1 4.22Å; K22-Y39 VanDerWaalsContact CE-CZ 3.46Å; K22-Y39 WeakPolarHBondContact CE-OH 3.38Å; K22-Y39 HydrophobicContact CG-CD1 3.86Å; K22-Y39 HydrophobicContact CG-CE1 3.37Å
23F86.5Confident72Confident7 Ų779.3 Ų79.33%0.03139%0.392CS..EExtended strand (participates in β ladder)trans-115.5134.2172.2-59.7-87.3000109.3I8 S9 D10 T21 T37 R38 F43 L77I8-F23 HydrophobicContact CG2-CB 4.07Å; I8-F23 HydrophobicContact CG2-CD1 4.16Å; S9-F23 CarbonylContact O-C 3.5Å; S9-F23 WeakPolarHBondContact O-CA 3.48Å; D10-F23 HydrophobicContact CB-CD1 3.62Å; D10-F23 HydrophobicContact CB-CE1 3.7Å; T21-F23 HydrophobicContact CG2-CE1 4.16Å; T21-F23 HydrophobicContact CG2-CE2 3.94Å; T21-F23 HydrophobicContact CG2-CZ 3.7Å; F23-T37 CarbonylContact O-C 3.51Å; F23-T37 WeakPolarHBondContact O-CA 3.47Å; F23-R38 PolarHBondContact N-O 3.11Å; F23-R38 PolarHBondContact O-N 3.47Å; F23-F43 HydrophobicContact CB-CE2 3.77Å; F23-F43 HydrophobicContact CB-CZ 3.82Å; F23-F43 HydrophobicContact CD2-CD2 4.49Å; F23-F43 AromaticContact CD2-CE2 3.88Å; F23-F43 HydrophobicContact CD2-CE2 3.88Å; F23-F43 HydrophobicContact CG-CE2 4.06Å; F23-F43 HydrophobicContact CG-CZ 4.34Å; F23-L77 HydrophobicContact CD1-CD1 3.45Å; F23-L77 VanDerWaalsContact CD1-CD1 3.45Å; F23-L77 HydrophobicContact CD2-CD1 3.89Å; F23-L77 HydrophobicContact CE1-CD1 3.3Å; F23-L77 HydrophobicContact CE2-CD1 3.76Å; F23-L77 HydrophobicContact CG-CD1 3.75Å; F23-L77 HydrophobicContact CZ-CD1 3.46Å; F23-L77 VanDerWaalsContact CZ-CD1 3.46Å
24I88Confident73.6Confident44 Ų4479.8 Ų79.823%0.22639%0.389CS..EExtended strand (participates in β ladder)trans-108.6115.5178.6-54.9169.3000107.2I8 S9 V36I8-I24 VanDerWaalsContact CA-O 3.27Å; I8-I24 WeakPolarHBondContact CA-O 3.34Å; S9-I24 PolarHBondContact N-O 2.9Å; S9-I24 PolarHBondContact O-N 3.44Å; I24-V36 WeakPolarHBondContact CA-O 3.07Å
25I90.2Very high75.5Confident0 Ų074.5 Ų74.50%037%0.371CS..EExtended strand (participates in β ladder)trans-96.7116.1-178.3-50.3170.1000108.3I8 L27 S35 V36 R38 F43 V81 F99 L100I8-I25 HydrophobicContact CD1-CG1 4.11Å; I8-I25 HydrophobicContact CD1-CG2 4.5Å; I8-I25 HydrophobicContact CG1-CB 4.46Å; I8-I25 HydrophobicContact CG1-CG1 4.29Å; I8-I25 HydrophobicContact CG1-CG2 4.29Å; I25-L27 HydrophobicContact CG2-CD1 4.18Å; I25-L27 HydrophobicContact CG2-CD2 4.23Å; I25-L27 HydrophobicContact CG2-CG 3.97Å; I25-S35 CarbonylContact O-C 3.54Å; I25-S35 VanDerWaalsContact O-CA 3.24Å; I25-S35 WeakPolarHBondContact O-CA 3.22Å; I25-V36 PolarHBondContact N-O 2.93Å; I25-V36 PolarHBondContact O-N 3.26Å; I25-R38 HydrophobicContact CD1-CG 4.3Å; I25-F43 HydrophobicContact CD1-CE1 3.87Å; I25-F43 HydrophobicContact CD1-CZ 3.72Å; I25-F43 HydrophobicContact CG1-CE1 4.39Å; I25-F43 HydrophobicContact CG1-CZ 3.99Å; I25-V81 HydrophobicContact CD1-CG2 4.03Å; I25-V81 HydrophobicContact CG2-CG1 3.84Å; I25-V81 HydrophobicContact CG2-CG2 4.38Å; I25-F99 HydrophobicContact CD1-CE1 3.76Å; I25-F99 HydrophobicContact CD1-CZ 3.82Å; I25-L100 HydrophobicContact CD1-CD2 4.29Å
26H88Confident77.4Confident64 Ų6470.9 Ų70.930%0.29635%0.353SS..EExtended strand (participates in β ladder)trans-94.2119.9177-60.8-80.4000110V6 G7 S9 S35V6-H26 HydrophobicContact CB-CB 4.02Å; V6-H26 PolarHBondContact N-O 3.01Å; G7-H26 PolarHBondContact O-N 3.05Å; S9-H26 PolarHBondContact OG-NE2 3.35Å; H26-S35 PolarHBondContact CE1-OG 3.39Å; H26-S35 PolarHBondContact ND1-OG 2.87Å
27L90.1Very high79.4Confident1 Ų165 Ų651%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-120.2148.4-172.8-67.6152.5000110.4V3 S4 V5 I25 E33 W34 V36 V85 L100V3-L27 HydrophobicContact CG1-CD2 3.92Å; S4-L27 WeakPolarHBondContact O-CA 3.37Å; V5-L27 HydrophobicContact CG2-CD2 4.06Å; I25-L27 HydrophobicContact CG2-CD1 4.18Å; I25-L27 HydrophobicContact CG2-CD2 4.23Å; I25-L27 HydrophobicContact CG2-CG 3.97Å; L27-E33 VanDerWaalsContact O-CA 3.28Å; L27-E33 WeakPolarHBondContact O-CA 3.49Å; L27-W34 HydrophobicContact CB-CD2 3.9Å; L27-W34 HydrophobicContact CB-CE3 4.15Å; L27-W34 HydrophobicContact CB-CH2 3.88Å; L27-W34 HydrophobicContact CB-CZ2 3.58Å; L27-W34 HydrophobicContact CB-CZ3 4.15Å; L27-W34 HydrophobicContact CD1-CZ2 3.71Å; L27-W34 HydrophobicContact CG-CZ2 4.16Å; L27-W34 PolarHBondContact N-O 3.35Å; L27-W34 PolarHBondContact O-N 3.08Å; L27-V36 HydrophobicContact CD1-CG2 4.04Å; L27-V85 HydrophobicContact CD2-CG1 4.26Å; L27-L100 HydrophobicContact CD1-CB 4.17Å; L27-L100 HydrophobicContact CD1-CD2 4.06Å; L27-L100 HydrophobicContact CD2-CD2 4.45Å
28K85.9Confident81.8Confident83 Ų8363.3 Ų63.336%0.36130%0.299SS..EExtended strand (participates in β ladder)trans-136.2132.5176.6-177.4176-168.7141.20110.7V3 S4 V6 R32 E33V3-K28 CarbonylContact C-O 3.58Å; V3-K28 WeakPolarHBondContact CA-O 3.37Å; S4-K28 PolarHBondContact N-O 3.45Å; S4-K28 PolarHBondContact O-N 3.43Å; S4-K28 PolarHBondContact OG-O 2.65Å; V6-K28 HydrophobicContact CG2-CB 3.82Å; K28-R32 CarbonylContact C-O 3.58Å; K28-R32 WeakPolarHBondContact CA-O 3.2Å; K28-E33 HydrophobicContact CB-CG 3.91Å; K28-E33 HydrophobicContact CD-CG 4.09Å; K28-E33 VanDerWaalsContact CD-OE1 3.3Å; K28-E33 WeakPolarHBondContact CD-OE1 3.4Å; K28-E33 WeakPolarHBondContact CE-OE1 3.48Å; K28-E33 HydrophobicContact CG-CG 3.73Å; K28-E33 IonicContact NZ-OE1 3.59Å; K28-E33 PolarHBondContact NZ-OE1 2.93Å
29A87.3Confident83.9Confident10 Ų1059.2 Ų59.28%0.08328%0.28CS..EExtended strand (participates in β ladder)trans-141.6119.3172.100000110.3V3 N31 R32 W34V3-A29 HydrophobicContact CB-CB 4.48Å; V3-A29 HydrophobicContact CG2-CB 3.95Å; A29-N31 PolarHBondContact O-N 3.28Å; A29-N31 VanDerWaalsContact O-N 3.07Å; A29-R32 PolarHBondContact N-O 3.23Å; A29-R32 PolarHBondContact O-N 3.31Å; A29-W34 HydrophobicContact CB-CH2 4.05Å; A29-W34 HydrophobicContact CB-CZ3 3.81Å
30N81.6Confident85.1Confident115 Ų11555.6 Ų55.662%0.61527%0.266SS*.THydrogen-bonded Turntrans50.8-112.7-175-57.3-20.4000111.4
31N77.8Confident86Confident174 Ų17457.5 Ų57.593%0.9328%0.28SS*.THydrogen-bonded Turntrans-100.415.4178.2-76.8-2.5000114A29A29-N31 PolarHBondContact O-N 3.28Å; A29-N31 VanDerWaalsContact O-N 3.07Å
32R78.5Confident86.7Confident144 Ų14459.8 Ų59.854%0.54329%0.289SS..EExtended strand (participates in β ladder)trans-113.7134.7176-82.2-177.4172165.2-3.9111.1K28 A29 W34 N105K28-R32 CarbonylContact C-O 3.58Å; K28-R32 WeakPolarHBondContact CA-O 3.2Å; A29-R32 PolarHBondContact N-O 3.23Å; A29-R32 PolarHBondContact O-N 3.31Å; R32-W34 HydrophobicContact CB-CE3 4.5Å; R32-N105 VanDerWaalsContact NH1-CB 3.32Å; R32-N105 PolarHBondContact NH1-ND2 2.93Å
33E86.5Confident87Confident131 Ų13157.7 Ų57.761%0.61228%0.281SS*.EExtended strand (participates in β ladder)trans-122.4137.3166.2-73.5178.6-176.100108.2L27 K28L27-E33 VanDerWaalsContact O-CA 3.28Å; L27-E33 WeakPolarHBondContact O-CA 3.49Å; K28-E33 HydrophobicContact CB-CG 3.91Å; K28-E33 HydrophobicContact CD-CG 4.09Å; K28-E33 VanDerWaalsContact CD-OE1 3.3Å; K28-E33 WeakPolarHBondContact CD-OE1 3.4Å; K28-E33 WeakPolarHBondContact CE-OE1 3.48Å; K28-E33 HydrophobicContact CG-CG 3.73Å; K28-E33 IonicContact NZ-OE1 3.59Å; K28-E33 PolarHBondContact NZ-OE1 2.93Å
34W89.7Confident87.1Confident52 Ų5261.4 Ų61.420%0.19730%0.298CS..EExtended strand (participates in β ladder)trans-150.2165.1176.473.9102.5000110.6V3 L27 A29 R32 L100 L102V3-W34 HydrophobicContact CG1-CH2 3.86Å; V3-W34 HydrophobicContact CG1-CZ2 4.38Å; V3-W34 HydrophobicContact CG2-CH2 4.5Å; L27-W34 HydrophobicContact CB-CD2 3.9Å; L27-W34 HydrophobicContact CB-CE3 4.15Å; L27-W34 HydrophobicContact CB-CH2 3.88Å; L27-W34 HydrophobicContact CB-CZ2 3.58Å; L27-W34 HydrophobicContact CB-CZ3 4.15Å; L27-W34 HydrophobicContact CD1-CZ2 3.71Å; L27-W34 HydrophobicContact CG-CZ2 4.16Å; L27-W34 PolarHBondContact N-O 3.35Å; L27-W34 PolarHBondContact O-N 3.08Å; A29-W34 HydrophobicContact CB-CH2 4.05Å; A29-W34 HydrophobicContact CB-CZ3 3.81Å; R32-W34 HydrophobicContact CB-CE3 4.5Å; W34-L100 PolarHBondContact NE1-O 2.79Å; W34-L102 HydrophobicContact CH2-CD2 3.63Å; W34-L102 HydrophobicContact CZ2-CD2 3.43Å; W34-L102 VanDerWaalsContact CZ2-CD2 3.43Å; W34-L102 HydrophobicContact CZ2-CG 4.35Å
35S87.7Confident87.2Confident37 Ų3761.8 Ų61.826%0.25931%0.307SS..EExtended strand (participates in β ladder)trans-129.5129.9-176.2-53.20000110.7I25 H26I25-S35 CarbonylContact O-C 3.54Å; I25-S35 VanDerWaalsContact O-CA 3.24Å; I25-S35 WeakPolarHBondContact O-CA 3.22Å; H26-S35 PolarHBondContact CE1-OG 3.39Å; H26-S35 PolarHBondContact ND1-OG 2.87Å
36V88.1Confident87.2Confident2 Ų262.3 Ų62.31%0.01231%0.311CS..EExtended strand (participates in β ladder)trans-114.6128.8-179.2-174.80000110.2I24 I25 L27 R38 F99 L100 D101I24-V36 WeakPolarHBondContact CA-O 3.07Å; I25-V36 PolarHBondContact N-O 2.93Å; I25-V36 PolarHBondContact O-N 3.26Å; L27-V36 HydrophobicContact CD1-CG2 4.04Å; V36-R38 HydrophobicContact CG1-CG 4.14Å; V36-R38 VanDerWaalsContact CG1-NH1 3.33Å; V36-R38 VanDerWaalsContact CG1-NH2 3.33Å; V36-F99 WeakPolarHBondContact CG1-O 3.48Å; V36-L100 WeakPolarHBondContact CG2-O 3.32Å; V36-D101 HydrophobicContact CG2-CB 3.97Å
37T88Confident87.3Confident41 Ų4161.6 Ų61.625%0.25231%0.306SS..EExtended strand (participates in β ladder)trans-95.2127.9177.6-56.10000110.8K22 F23K22-T37 HydrophobicContact CB-CG2 4.08Å; K22-T37 HydrophobicContact CD-CG2 4.18Å; K22-T37 HydrophobicContact CG-CG2 4.38Å; F23-T37 CarbonylContact O-C 3.51Å; F23-T37 WeakPolarHBondContact O-CA 3.47Å
38R90.7Very high87.2Confident37 Ų3764.6 Ų64.614%0.1432%0.324CS..EExtended strand (participates in β ladder)trans-140.9142180-63.3-68.9178.6-106.57.8111.6F23 I25 V36 E42 F43 L98 F99 D101F23-R38 PolarHBondContact N-O 3.11Å; F23-R38 PolarHBondContact O-N 3.47Å; I25-R38 HydrophobicContact CD1-CG 4.3Å; V36-R38 HydrophobicContact CG1-CG 4.14Å; V36-R38 VanDerWaalsContact CG1-NH1 3.33Å; V36-R38 VanDerWaalsContact CG1-NH2 3.33Å; R38-E42 VanDerWaalsContact CA-OE2 3.31Å; R38-E42 WeakPolarHBondContact CA-OE2 3.49Å; R38-E42 HydrophobicContact CB-CB 4.34Å; R38-E42 WeakPolarHBondContact CD-OE1 3.46Å; R38-E42 IonicContact NE-OE1 2.69Å; R38-F43 HydrophobicContact CB-CD2 4.18Å; R38-F43 HydrophobicContact CB-CE2 3.59Å; R38-F43 HydrophobicContact CB-CZ 4.16Å; R38-L98 PolarHBondContact NH2-O 2.82Å; R38-L98 VanDerWaalsContact NH2-O 3.08Å; R38-F99 HydrophobicContact CB-CE2 3.92Å; R38-F99 HydrophobicContact CB-CZ 4.24Å; R38-F99 HydrophobicContact CG-CD2 4.02Å; R38-F99 HydrophobicContact CG-CE2 3.46Å; R38-F99 VanDerWaalsContact CG-CE2 3.46Å; R38-F99 HydrophobicContact CG-CZ 3.86Å; R38-F99 VanDerWaalsContact CZ-O 3.24Å; R38-F99 PolarHBondContact NE-O 3.17Å; R38-F99 PolarHBondContact NH2-O 2.8Å; R38-D101 IonicContact NH2-OD2 3.34Å
39Y87.8Confident87.3Confident77 Ų7766.1 Ų66.130%0.30233%0.331SS..EExtended strand (participates in β ladder)trans-80.9156.1167-65.1-82000110.7K22 T41 E42 F43K22-Y39 HydrophobicContact CD-CE1 4.22Å; K22-Y39 VanDerWaalsContact CE-CZ 3.46Å; K22-Y39 WeakPolarHBondContact CE-OH 3.38Å; K22-Y39 HydrophobicContact CG-CD1 3.86Å; K22-Y39 HydrophobicContact CG-CE1 3.37Å; Y39-T41 PolarHBondContact O-N 3.32Å; Y39-T41 VanDerWaalsContact O-N 3.12Å; Y39-E42 WeakPolarHBondContact CD2-OE2 3.43Å; Y39-E42 PolarHBondContact N-OE2 3.35Å; Y39-E42 WeakPolarHBondContact O-CB 3.41Å; Y39-E42 PolarHBondContact O-N 3.37Å; Y39-F43 VanDerWaalsContact O-CD2 3.27Å; Y39-F43 WeakPolarHBondContact O-CD2 3.23Å; Y39-F43 PolarHBondContact O-N 2.55Å
40Y85.9Confident87.3Confident26 Ų2665.7 Ų65.710%0.10233%0.327CS..Hα-helixtrans-52.5-37.2177.1-178.5-94.6000113E42 F43 H44 L61 P62 N64 L77Y40-E42 PolarHBondContact O-N 3.42Å; Y40-F43 WeakPolarHBondContact O-CB 3.5Å; Y40-F43 PolarHBondContact O-N 3.22Å; Y40-H44 HydrophobicContact CE1-CB 4.46Å; Y40-H44 PolarHBondContact O-N 2.96Å; Y40-L61 HydrophobicContact CE2-CD2 4.49Å; Y40-P62 WeakPolarHBondContact CE2-O 3.31Å; Y40-P62 PolarHBondContact OH-O 2.91Å; Y40-N64 HydrophobicContact CE1-CB 4.24Å; Y40-L77 HydrophobicContact CD2-CD2 4.26Å; Y40-L77 HydrophobicContact CE2-CD2 4.33Å
41T86.1Confident87.3Confident100 Ų10066.8 Ų66.861%0.61333%0.326SS*.Hα-helixtrans-59-32.217745.50000112.8Y39 H44 A45Y39-T41 PolarHBondContact O-N 3.32Å; Y39-T41 VanDerWaalsContact O-N 3.12Å; T41-H44 PolarHBondContact O-N 3.39Å; T41-A45 WeakPolarHBondContact O-CB 3.42Å; T41-A45 PolarHBondContact O-N 3.14Å
42E91.2Very high87Confident67 Ų6766.7 Ų66.731%0.31332%0.32SS..Hα-helixtrans-75.4-38.5177.2-61.8174.683.700111.8R38 Y39 Y40 H44 A45 V46 F99R38-E42 VanDerWaalsContact CA-OE2 3.31Å; R38-E42 WeakPolarHBondContact CA-OE2 3.49Å; R38-E42 HydrophobicContact CB-CB 4.34Å; R38-E42 WeakPolarHBondContact CD-OE1 3.46Å; R38-E42 IonicContact NE-OE1 2.69Å; Y39-E42 WeakPolarHBondContact CD2-OE2 3.43Å; Y39-E42 PolarHBondContact N-OE2 3.35Å; Y39-E42 WeakPolarHBondContact O-CB 3.41Å; Y39-E42 PolarHBondContact O-N 3.37Å; Y40-E42 PolarHBondContact O-N 3.42Å; E42-H44 VanDerWaalsContact C-N 3.25Å; E42-H44 PolarHBondContact O-N 3.4Å; E42-A45 PolarHBondContact O-N 3.36Å; E42-V46 PolarHBondContact O-N 2.88Å; E42-V46 VanDerWaalsContact O-N 3.11Å; E42-F99 HydrophobicContact CB-CE2 4.2Å
43F91.3Very high86.6Confident0 Ų061.8 Ų61.80%031%0.308CS..Hα-helixtrans-60.2-41.7170-67.1-100.5000110.6I8 F23 I25 R38 Y39 Y40 Y47 L61 L77 F80 V81 F99I8-F43 HydrophobicContact CD1-CE1 4.44Å; F23-F43 HydrophobicContact CB-CE2 3.77Å; F23-F43 HydrophobicContact CB-CZ 3.82Å; F23-F43 HydrophobicContact CD2-CD2 4.49Å; F23-F43 AromaticContact CD2-CE2 3.88Å; F23-F43 HydrophobicContact CD2-CE2 3.88Å; F23-F43 HydrophobicContact CG-CE2 4.06Å; F23-F43 HydrophobicContact CG-CZ 4.34Å; I25-F43 HydrophobicContact CD1-CE1 3.87Å; I25-F43 HydrophobicContact CD1-CZ 3.72Å; I25-F43 HydrophobicContact CG1-CE1 4.39Å; I25-F43 HydrophobicContact CG1-CZ 3.99Å; R38-F43 HydrophobicContact CB-CD2 4.18Å; R38-F43 HydrophobicContact CB-CE2 3.59Å; R38-F43 HydrophobicContact CB-CZ 4.16Å; Y39-F43 VanDerWaalsContact O-CD2 3.27Å; Y39-F43 WeakPolarHBondContact O-CD2 3.23Å; Y39-F43 PolarHBondContact O-N 2.55Å; Y40-F43 WeakPolarHBondContact O-CB 3.5Å; Y40-F43 PolarHBondContact O-N 3.22Å; F43-Y47 WeakPolarHBondContact O-CB 3.46Å; F43-Y47 PolarHBondContact O-N 3.04Å; F43-L61 HydrophobicContact CB-CD1 3.86Å; F43-L77 HydrophobicContact CB-CD2 4.17Å; F43-L77 HydrophobicContact CD1-CD2 3.69Å; F43-L77 HydrophobicContact CD2-CD2 4.35Å; F43-L77 HydrophobicContact CE1-CB 4.35Å; F43-L77 HydrophobicContact CE1-CD2 4.1Å; F43-L77 HydrophobicContact CG-CD2 3.83Å; F43-F80 HydrophobicContact CB-CE1 4.49Å; F43-F80 AromaticContact CD1-CD1 3.85Å; F43-F80 HydrophobicContact CD1-CD1 3.85Å; F43-F80 AromaticContact CD1-CE1 3.97Å; F43-F80 HydrophobicContact CD1-CE1 3.97Å; F43-V81 HydrophobicContact CD1-CG2 4.43Å; F43-V81 HydrophobicContact CE1-CG2 3.78Å; F43-F99 HydrophobicContact CD1-CE1 4.29Å; F43-F99 HydrophobicContact CD1-CE2 4.44Å; F43-F99 AromaticContact CD1-CZ 3.55Å; F43-F99 HydrophobicContact CD1-CZ 3.55Å; F43-F99 HydrophobicContact CD2-CE2 4.48Å; F43-F99 HydrophobicContact CD2-CZ 4.22Å; F43-F99 HydrophobicContact CE1-CE1 4.29Å; F43-F99 AromaticContact CE1-CZ 3.66Å; F43-F99 HydrophobicContact CE1-CZ 3.66Å; F43-F99 HydrophobicContact CE2-CZ 4.3Å; F43-F99 HydrophobicContact CG-CE2 4.31Å; F43-F99 AromaticContact CG-CZ 3.85Å; F43-F99 HydrophobicContact CG-CZ 3.85Å; F43-F99 HydrophobicContact CZ-CZ 4.04Å
44H88.5Confident85.5Confident85 Ų8564.6 Ų64.639%0.39432%0.321SS..Hα-helixtrans-64.8-42.8178-163.7-3.4000112Y40 T41 E42 V46 Y47 T48 L61Y40-H44 HydrophobicContact CE1-CB 4.46Å; Y40-H44 PolarHBondContact O-N 2.96Å; T41-H44 PolarHBondContact O-N 3.39Å; E42-H44 VanDerWaalsContact C-N 3.25Å; E42-H44 PolarHBondContact O-N 3.4Å; H44-V46 PolarHBondContact O-N 3.5Å; H44-Y47 PolarHBondContact O-N 3.09Å; H44-T48 PolarHBondContact CE1-OG1 2.9Å; H44-T48 PolarHBondContact ND1-OG1 3.33Å; H44-T48 PolarHBondContact O-N 3.25Å; H44-T48 PolarHBondContact O-OG1 2.99Å; H44-L61 HydrophobicContact CB-CD2 3.89Å
45A89.8Confident84.4Confident51 Ų5165.7 Ų65.742%0.42133%0.331SS..Hα-helixtrans-58.5-48177.400000111.9T41 E42 T48 K49T41-A45 WeakPolarHBondContact O-CB 3.42Å; T41-A45 PolarHBondContact O-N 3.14Å; E42-A45 PolarHBondContact O-N 3.36Å; A45-T48 PolarHBondContact O-N 3.48Å; A45-K49 WeakPolarHBondContact O-CG 3.42Å; A45-K49 PolarHBondContact O-N 3.27Å; A45-K49 VanDerWaalsContact O-N 3.1Å
46V90.8Very high83.4Confident12 Ų1264.9 Ų64.97%0.07333%0.325CS..Hα-helixtrans-62.6-45.5176.1170.40000111.1E42 H44 T48 K49 L50 F80 L84 V96 F99E42-V46 PolarHBondContact O-N 2.88Å; E42-V46 VanDerWaalsContact O-N 3.11Å; H44-V46 PolarHBondContact O-N 3.5Å; V46-T48 VanDerWaalsContact C-N 3.32Å; V46-T48 PolarHBondContact O-N 2.83Å; V46-K49 PolarHBondContact O-N 3.42Å; V46-L50 HydrophobicContact CG1-CD1 3.57Å; V46-L50 HydrophobicContact CG1-CG 4.18Å; V46-L50 WeakPolarHBondContact O-CB 3.17Å; V46-L50 VanDerWaalsContact O-CG 3.22Å; V46-L50 WeakPolarHBondContact O-CG 3.4Å; V46-L50 PolarHBondContact O-N 3.43Å; V46-F80 HydrophobicContact CG1-CZ 4.45Å; V46-L84 HydrophobicContact CG1-CD1 4.5Å; V46-V96 HydrophobicContact CG1-CG2 4.28Å; V46-F99 HydrophobicContact CG2-CB 3.7Å; V46-F99 HydrophobicContact CG2-CD2 3.59Å; V46-F99 HydrophobicContact CG2-CE2 4.35Å; V46-F99 HydrophobicContact CG2-CG 3.68Å
47Y90.7Very high82.4Confident49 Ų4970.8 Ų70.819%0.19236%0.361CS..Hα-helixtrans-57.8-44.3177174.3-109.2000112.5F43 H44 L50 K51 L59 L61 F80F43-Y47 WeakPolarHBondContact O-CB 3.46Å; F43-Y47 PolarHBondContact O-N 3.04Å; H44-Y47 PolarHBondContact O-N 3.09Å; Y47-L50 PolarHBondContact O-N 2.96Å; Y47-K51 HydrophobicContact CE1-CD 4.3Å; Y47-K51 VanDerWaalsContact O-CB 3.3Å; Y47-K51 WeakPolarHBondContact O-CB 3.36Å; Y47-K51 PolarHBondContact O-N 3.1Å; Y47-L59 HydrophobicContact CD2-CD2 4.06Å; Y47-L59 HydrophobicContact CD2-CG 4.34Å; Y47-L59 HydrophobicContact CE2-CG 4.5Å; Y47-L59 WeakPolarHBondContact CE2-O 3.34Å; Y47-L61 HydrophobicContact CD1-CB 3.93Å; Y47-L61 HydrophobicContact CD1-CD2 4.23Å; Y47-L61 HydrophobicContact CD2-CB 4.05Å; Y47-L61 HydrophobicContact CE1-CB 4.3Å; Y47-L61 HydrophobicContact CE2-CB 4.41Å; Y47-L61 HydrophobicContact CG-CB 3.78Å; Y47-L61 HydrophobicContact CG-CD2 4.24Å; Y47-F80 AromaticContact CD2-CE2 3.9Å; Y47-F80 HydrophobicContact CD2-CE2 3.9Å; Y47-F80 HydrophobicContact CG-CE2 4.37Å
48T87.9Confident81.6Confident64 Ų6471.8 Ų71.839%0.39338%0.38SS..Hα-helixtrans-64.4-44.2-179.3-53.20000111.3H44 A45 V46 L50 K51H44-T48 PolarHBondContact CE1-OG1 2.9Å; H44-T48 PolarHBondContact ND1-OG1 3.33Å; H44-T48 PolarHBondContact O-N 3.25Å; H44-T48 PolarHBondContact O-OG1 2.99Å; A45-T48 PolarHBondContact O-N 3.48Å; V46-T48 VanDerWaalsContact C-N 3.32Å; V46-T48 PolarHBondContact O-N 2.83Å; T48-L50 VanDerWaalsContact C-N 3.34Å; T48-L50 PolarHBondContact O-N 3.18Å; T48-K51 PolarHBondContact O-N 3.4Å
49K87.8Confident81.1Confident115 Ų11570.5 Ų70.550%0.538%0.376SS..Hα-helixtrans-62.1-41.4176.1-71.6-171178.3-165.60112.7A45 V46 D95A45-K49 WeakPolarHBondContact O-CG 3.42Å; A45-K49 PolarHBondContact O-N 3.27Å; A45-K49 VanDerWaalsContact O-N 3.1Å; V46-K49 PolarHBondContact O-N 3.42Å; K49-D95 HydrophobicContact CD-CB 4.36Å; K49-D95 VanDerWaalsContact CD-CG 3.5Å; K49-D95 WeakPolarHBondContact CD-OD2 2.94Å; K49-D95 IonicContact NZ-OD1 3.65Å; K49-D95 PolarHBondContact NZ-OD1 3.4Å; K49-D95 IonicContact NZ-OD2 2.61Å; K49-D95 PolarHBondContact NZ-OD2 2.77Å
50L87Confident80.8Confident1 Ų174.5 Ų74.51%0.00540%0.397CS..Hα-helixtrans-74-33.2-178-68.5174.9000112.3V46 Y47 T48 E52 S53 C56 L59 L84 L90 N93 V96V46-L50 HydrophobicContact CG1-CD1 3.57Å; V46-L50 HydrophobicContact CG1-CG 4.18Å; V46-L50 WeakPolarHBondContact O-CB 3.17Å; V46-L50 VanDerWaalsContact O-CG 3.22Å; V46-L50 WeakPolarHBondContact O-CG 3.4Å; V46-L50 PolarHBondContact O-N 3.43Å; Y47-L50 PolarHBondContact O-N 2.96Å; T48-L50 VanDerWaalsContact C-N 3.34Å; T48-L50 PolarHBondContact O-N 3.18Å; L50-E52 PolarHBondContact O-N 3.21Å; L50-E52 VanDerWaalsContact O-N 3.14Å; L50-S53 WeakPolarHBondContact O-CB 3.39Å; L50-S53 PolarHBondContact O-N 3.28Å; L50-S53 PolarHBondContact O-OG 3.41Å; L50-C56 WeakPolarHBondContact CB-SG 3.49Å; L50-C56 PolarHBondContact O-SG 3.14Å; L50-L59 HydrophobicContact CB-CD2 4.31Å; L50-L59 HydrophobicContact CD1-CD2 4.05Å; L50-L84 HydrophobicContact CD1-CD2 3.46Å; L50-L84 VanDerWaalsContact CD1-CD2 3.46Å; L50-L90 HydrophobicContact CD1-CD2 4.43Å; L50-L90 HydrophobicContact CD2-CD2 4.1Å; L50-N93 HydrophobicContact CD2-CB 4.26Å; L50-V96 HydrophobicContact CD1-CG2 3.71Å; L50-V96 HydrophobicContact CD2-CG2 4.07Å; L50-V96 HydrophobicContact CG-CG2 4.39Å
51K81.1Confident80.7Confident138 Ų13874.4 Ų74.460%0.640%0.398SS*.Hα-helixtrans-59-25.2179.9179.5178.8174.9-173.40113.1Y47 T48 S53Y47-K51 HydrophobicContact CE1-CD 4.3Å; Y47-K51 VanDerWaalsContact O-CB 3.3Å; Y47-K51 WeakPolarHBondContact O-CB 3.36Å; Y47-K51 PolarHBondContact O-N 3.1Å; T48-K51 PolarHBondContact O-N 3.4Å; K51-S53 VanDerWaalsContact C-N 3.29Å
52E72Confident80.1Confident172 Ų17271 Ų7180%0.80438%0.378SS*.THydrogen-bonded Turntrans-78.3-12176.1-64.7-179174.700113.1L50L50-E52 PolarHBondContact O-N 3.21Å; L50-E52 VanDerWaalsContact O-N 3.14Å
53S69.3Low78.6Confident41 Ų4170.1 Ų70.129%0.28739%0.387SS..SBendtrans-91.6144.5174.977.40000112.2L50 K51 D55 C56L50-S53 WeakPolarHBondContact O-CB 3.39Å; L50-S53 PolarHBondContact O-N 3.28Å; L50-S53 PolarHBondContact O-OG 3.41Å; K51-S53 VanDerWaalsContact C-N 3.29Å; S53-D55 PolarHBondContact O-N 2.74Å; S53-D55 VanDerWaalsContact O-N 3.08Å; S53-C56 PolarHBondContact O-N 3Å
54E64.5Low76.8Confident190 Ų19075.3 Ų75.389%0.88841%0.414SS*.G310 helixtrans-60.8-18.4179.8-69.2-172.815100113.5C56E54-C56 VanDerWaalsContact C-N 3.29Å; E54-C56 PolarHBondContact O-N 3.47Å
55D66.5Low74.4Confident75 Ų7577.7 Ų77.740%0.40143%0.43SS..G310 helixtrans-82.42.3-174.2-63.2-38.7000114.6S53 T57 L89S53-D55 PolarHBondContact O-N 2.74Å; S53-D55 VanDerWaalsContact O-N 3.08Å; D55-T57 PolarHBondContact O-N 3.27Å; D55-L89 HydrophobicContact CB-CB 4.45Å
56C66.2Low71.9Confident20 Ų2084 Ų8414%0.13546%0.455CS..G310 helixtrans-91.317.2-173.1-92.50000116.4L50 S53 E54 G58 L59L50-C56 WeakPolarHBondContact CB-SG 3.49Å; L50-C56 PolarHBondContact O-SG 3.14Å; S53-C56 PolarHBondContact O-N 3Å; E54-C56 VanDerWaalsContact C-N 3.29Å; E54-C56 PolarHBondContact O-N 3.47Å; C56-G58 PolarHBondContact O-N 3.27Å; C56-L59 HydrophobicContact CB-CB 4.43Å; C56-L59 PolarHBondContact O-N 3.08Å
57T67Low69.2Low126 Ų12691 Ų9177%0.77349%0.492SS*.THydrogen-bonded Turntrans-58.1113.1-179.843.20000111.5D55D55-T57 PolarHBondContact O-N 3.27Å
58G70.7Confident66.4Low62 Ų6291.1 Ų91.164%0.63950%0.5SS*.THydrogen-bonded Turntrans85.46.6179.300000116.2C56 Q60C56-G58 PolarHBondContact O-N 3.27Å; G58-Q60 PolarHBondContact O-N 2.91Å
59L80.5Confident63.9Low10 Ų1092.8 Ų92.85%0.05251%0.51CS..  trans-73.5117.9170.3-159.372.5000109.2Y47 L50 C56 F80 K83 L84 L90Y47-L59 HydrophobicContact CD2-CD2 4.06Å; Y47-L59 HydrophobicContact CD2-CG 4.34Å; Y47-L59 HydrophobicContact CE2-CG 4.5Å; Y47-L59 WeakPolarHBondContact CE2-O 3.34Å; L50-L59 HydrophobicContact CB-CD2 4.31Å; L50-L59 HydrophobicContact CD1-CD2 4.05Å; C56-L59 HydrophobicContact CB-CB 4.43Å; C56-L59 PolarHBondContact O-N 3.08Å; L59-F80 HydrophobicContact CD1-CD2 4.08Å; L59-F80 HydrophobicContact CD1-CE2 4.12Å; L59-F80 HydrophobicContact CD2-CD2 4.43Å; L59-F80 HydrophobicContact CD2-CE2 3.72Å; L59-F80 HydrophobicContact CD2-CZ 4.49Å; L59-F80 HydrophobicContact CG-CD2 3.99Å; L59-F80 HydrophobicContact CG-CE2 3.78Å; L59-K83 HydrophobicContact CD1-CB 3.8Å; L59-K83 HydrophobicContact CD1-CG 3.8Å; L59-L84 HydrophobicContact CD1-CD2 4.15Å; L59-L84 HydrophobicContact CD2-CD2 4.16Å; L59-L90 HydrophobicContact CD1-CD1 4.25Å
60Q82Confident61.6Low160 Ų16093.1 Ų93.175%0.74851%0.511SS*.  trans-121.7131.2178.4-76.4-168.2-11.400111.1G58G58-Q60 PolarHBondContact O-N 2.91Å
61L83.6Confident59.6Low24 Ų2498 Ų9813%0.12654%0.541CS..  trans-104.7126.3169.8-163.477.6000109.4Y40 F43 H44 Y47 G63 L77 F80Y40-L61 HydrophobicContact CE2-CD2 4.49Å; F43-L61 HydrophobicContact CB-CD1 3.86Å; H44-L61 HydrophobicContact CB-CD2 3.89Å; Y47-L61 HydrophobicContact CD1-CB 3.93Å; Y47-L61 HydrophobicContact CD1-CD2 4.23Å; Y47-L61 HydrophobicContact CD2-CB 4.05Å; Y47-L61 HydrophobicContact CE1-CB 4.3Å; Y47-L61 HydrophobicContact CE2-CB 4.41Å; Y47-L61 HydrophobicContact CG-CB 3.78Å; Y47-L61 HydrophobicContact CG-CD2 4.24Å; L61-G63 PolarHBondContact O-N 3.49Å; L61-L77 HydrophobicContact CD1-CD2 3.96Å; L61-F80 HydrophobicContact CD1-CB 4.44Å; L61-F80 HydrophobicContact CD1-CD1 3.97Å; L61-F80 HydrophobicContact CD1-CD2 3.77Å; L61-F80 HydrophobicContact CD1-CE1 4.11Å; L61-F80 HydrophobicContact CD1-CE2 3.93Å; L61-F80 HydrophobicContact CD1-CG 3.79Å; L61-F80 HydrophobicContact CD1-CZ 4.09Å
62P73.5Confident58.6Low30 Ų3096.7 Ų96.720%0.19554%0.541CS..  trans-65.2127.5179.425.3-33.2000110.5Y40 R73 L77Y40-P62 WeakPolarHBondContact CE2-O 3.31Å; Y40-P62 PolarHBondContact OH-O 2.91Å; P62-R73 HydrophobicContact CG-CG 4.49Å; P62-L77 HydrophobicContact CG-CD2 4.12Å; P62-L77 HydrophobicContact CG-CG 4.11Å
63G61Low58.8Low48 Ų4890.1 Ų90.150%0.49551%0.509SS..  trans-68.1166.5-171.900000116.5L61 N65 R73L61-G63 PolarHBondContact O-N 3.49Å; G63-N65 PolarHBondContact O-N 3.49Å; G63-R73 PolarHBondContact O-NH2 2.9Å
64N52.3Low59.2Low109 Ų10993.8 Ų93.858%0.58352%0.516SS*.  trans-87.26.2-169.9-144.68.8000115Y40Y40-N64 HydrophobicContact CE1-CB 4.24Å
65N38.7Very low60Low134 Ų13491.6 Ų91.672%0.71750%0.504SS*.  trans-69.9139-175.6-72.9-6.9000112.4G63 L67 S68 R73G63-N65 PolarHBondContact O-N 3.49Å; N65-L67 PolarHBondContact O-N 3.21Å; N65-S68 PolarHBondContact O-N 2.72Å; N65-R73 PolarHBondContact O-NH2 2.93Å
66L37.1Very low60.8Low183 Ų18389 Ų8996%0.95849%0.494SS*.THydrogen-bonded Turntrans-60.5-5.9-169-148.476.2000114.9
67L32.9Very low61.9Low161 Ų16188 Ų8884%0.84349%0.488SS*.THydrogen-bonded Turntrans-108.1-5.8-170-93129.4000115.9N65 V69N65-L67 PolarHBondContact O-N 3.21Å; L67-V69 PolarHBondContact O-N 3.08Å
68S32.8Very low62.9Low51 Ų5183 Ų8336%0.35746%0.457SS..SBendtrans-88.893.3173.975.80000110.7N65N65-S68 PolarHBondContact O-N 2.72Å
69V35.2Very low63.7Low99 Ų9984.7 Ų84.760%0.645%0.452SS*.  trans-39.6137.2176.7-179.90000112.7L67 T71 N72L67-V69 PolarHBondContact O-N 3.08Å; V69-T71 PolarHBondContact O-N 3.33Å; V69-N72 PolarHBondContact O-N 3.25Å
70F40.6Very low64.2Low122 Ų12284.4 Ų84.454%0.53545%0.45SS..Hα-helixtrans-42-28.9-169.4-63.7-98.4000116.7
71T43.4Very low64.6Low102 Ų10276.8 Ų76.863%0.62642%0.415SS*.Hα-helixtrans-69.8-33.4177.341.90000113.5V69V69-T71 PolarHBondContact O-N 3.33Å
72N61.2Low65Low112 Ų11280.5 Ų80.560%0.59943%0.43SS*.Hα-helixtrans-81.3-32.4-177.9-108.9-1.7000113.1V69 K75 G76V69-N72 PolarHBondContact O-N 3.25Å; N72-K75 PolarHBondContact O-N 3.21Å; N72-G76 PolarHBondContact O-N 3.5Å
73R75.3Confident65.7Low33 Ų3383.7 Ų83.713%0.12544%0.441CS..Hα-helixtrans-66.9-45.8-179.4-171.9170.9-70.4167.6-1.1111.9P62 G63 N65 K75 G76 L77P62-R73 HydrophobicContact CG-CG 4.49Å; G63-R73 PolarHBondContact O-NH2 2.9Å; N65-R73 PolarHBondContact O-NH2 2.93Å; R73-K75 VanDerWaalsContact C-N 3.32Å; R73-K75 PolarHBondContact O-N 2.96Å; R73-G76 PolarHBondContact O-N 3.26Å; R73-L77 HydrophobicContact CG-CD1 4.21Å; R73-L77 WeakPolarHBondContact O-CG 3.44Å; R73-L77 PolarHBondContact O-N 2.97Å
74R79.1Confident67.1Low118 Ų11881.4 Ų81.445%0.44542%0.417SS..Hα-helixtrans-60.6-42.4176.9-169.2176.974.2-175.92.6111.8I8 D10 L77 C78I8-R74 HydrophobicContact CG2-CG 4.31Å; I8-R74 VanDerWaalsContact O-CD 3.26Å; I8-R74 WeakPolarHBondContact O-CD 3.43Å; I8-R74 WeakPolarHBondContact O-CG 3.27Å; D10-R74 WeakPolarHBondContact OD1-CD 3.47Å; D10-R74 IonicContact OD1-NH1 3.45Å; R74-L77 PolarHBondContact O-N 2.87Å; R74-C78 WeakPolarHBondContact O-CB 3.41Å; R74-C78 PolarHBondContact O-N 2.72Å
75K79.5Confident69Low145 Ų14576.9 Ų76.963%0.6339%0.394SS*.Hα-helixtrans-64.9-43.1177.5-146.9178.5-173.3-177.40111.4N72 R73 C78 N79N72-K75 PolarHBondContact O-N 3.21Å; R73-K75 VanDerWaalsContact C-N 3.32Å; R73-K75 PolarHBondContact O-N 2.96Å; K75-C78 PolarHBondContact O-N 3.12Å; K75-N79 PolarHBondContact O-N 3.07Å
76G84.4Confident71.3Confident19 Ų1974.7 Ų74.720%0.19639%0.389CS..Hα-helixtrans-62.5-44.3175.100000113N72 R73 N79 F80N72-G76 PolarHBondContact O-N 3.5Å; R73-G76 PolarHBondContact O-N 3.26Å; G76-N79 PolarHBondContact O-N 3.47Å; G76-F80 WeakPolarHBondContact O-CB 3.37Å; G76-F80 PolarHBondContact O-N 2.95Å
77L89.4Confident73.7Confident0 Ų068 Ų680%036%0.355CS..Hα-helixtrans-65.4-38.4175-67.9172.9000111.9I8 F23 Y40 F43 L61 P62 R73 R74 N79 F80 V81I8-L77 HydrophobicContact CD1-CB 4.12Å; F23-L77 HydrophobicContact CD1-CD1 3.45Å; F23-L77 VanDerWaalsContact CD1-CD1 3.45Å; F23-L77 HydrophobicContact CD2-CD1 3.89Å; F23-L77 HydrophobicContact CE1-CD1 3.3Å; F23-L77 HydrophobicContact CE2-CD1 3.76Å; F23-L77 HydrophobicContact CG-CD1 3.75Å; F23-L77 HydrophobicContact CZ-CD1 3.46Å; F23-L77 VanDerWaalsContact CZ-CD1 3.46Å; Y40-L77 HydrophobicContact CD2-CD2 4.26Å; Y40-L77 HydrophobicContact CE2-CD2 4.33Å; F43-L77 HydrophobicContact CB-CD2 4.17Å; F43-L77 HydrophobicContact CD1-CD2 3.69Å; F43-L77 HydrophobicContact CD2-CD2 4.35Å; F43-L77 HydrophobicContact CE1-CB 4.35Å; F43-L77 HydrophobicContact CE1-CD2 4.1Å; F43-L77 HydrophobicContact CG-CD2 3.83Å; L61-L77 HydrophobicContact CD1-CD2 3.96Å; P62-L77 HydrophobicContact CG-CD2 4.12Å; P62-L77 HydrophobicContact CG-CG 4.11Å; R73-L77 HydrophobicContact CG-CD1 4.21Å; R73-L77 WeakPolarHBondContact O-CG 3.44Å; R73-L77 PolarHBondContact O-N 2.97Å; R74-L77 PolarHBondContact O-N 2.87Å; L77-N79 VanDerWaalsContact C-N 3.35Å; L77-N79 PolarHBondContact O-N 3.3Å; L77-F80 WeakPolarHBondContact O-CB 3.42Å; L77-F80 PolarHBondContact O-N 3.36Å; L77-V81 WeakPolarHBondContact O-CG2 3.33Å; L77-V81 PolarHBondContact O-N 2.88Å
78C87.9Confident76.2Confident20 Ų2066 Ų6614%0.13535%0.346CS..Hα-helixtrans-64-41.9176.5-167.20000111.2I8 R74 K75 V81 K82I8-C78 HydrophobicContact CB-CB 4.43Å; I8-C78 HydrophobicContact CD1-CB 4.22Å; I8-C78 HydrophobicContact CG1-CB 4.24Å; R74-C78 WeakPolarHBondContact O-CB 3.41Å; R74-C78 PolarHBondContact O-N 2.72Å; K75-C78 PolarHBondContact O-N 3.12Å; C78-V81 PolarHBondContact O-N 2.77Å; C78-K82 WeakPolarHBondContact O-CB 3.25Å; C78-K82 WeakPolarHBondContact O-CG 3.36Å; C78-K82 PolarHBondContact O-N 2.91Å
79N86.9Confident78.8Confident99 Ų9968.7 Ų68.753%0.52936%0.355SS..Hα-helixtrans-64.5-40.9173.7-75.6-9.6000112.3K75 G76 L77 K82 K83K75-N79 PolarHBondContact O-N 3.07Å; G76-N79 PolarHBondContact O-N 3.47Å; L77-N79 VanDerWaalsContact C-N 3.35Å; L77-N79 PolarHBondContact O-N 3.3Å; N79-K82 PolarHBondContact O-N 3.33Å; N79-K83 PolarHBondContact O-N 2.99Å
80F91Very high81.3Confident3 Ų364.3 Ų64.31%0.01333%0.328CS..Hα-helixtrans-56.5-52.4175.1172.6-98.7000111.2F43 V46 Y47 L59 L61 G76 L77 K82 K83 L84F43-F80 HydrophobicContact CB-CE1 4.49Å; F43-F80 AromaticContact CD1-CD1 3.85Å; F43-F80 HydrophobicContact CD1-CD1 3.85Å; F43-F80 AromaticContact CD1-CE1 3.97Å; F43-F80 HydrophobicContact CD1-CE1 3.97Å; V46-F80 HydrophobicContact CG1-CZ 4.45Å; Y47-F80 AromaticContact CD2-CE2 3.9Å; Y47-F80 HydrophobicContact CD2-CE2 3.9Å; Y47-F80 HydrophobicContact CG-CE2 4.37Å; L59-F80 HydrophobicContact CD1-CD2 4.08Å; L59-F80 HydrophobicContact CD1-CE2 4.12Å; L59-F80 HydrophobicContact CD2-CD2 4.43Å; L59-F80 HydrophobicContact CD2-CE2 3.72Å; L59-F80 HydrophobicContact CD2-CZ 4.49Å; L59-F80 HydrophobicContact CG-CD2 3.99Å; L59-F80 HydrophobicContact CG-CE2 3.78Å; L61-F80 HydrophobicContact CD1-CB 4.44Å; L61-F80 HydrophobicContact CD1-CD1 3.97Å; L61-F80 HydrophobicContact CD1-CD2 3.77Å; L61-F80 HydrophobicContact CD1-CE1 4.11Å; L61-F80 HydrophobicContact CD1-CE2 3.93Å; L61-F80 HydrophobicContact CD1-CG 3.79Å; L61-F80 HydrophobicContact CD1-CZ 4.09Å; G76-F80 WeakPolarHBondContact O-CB 3.37Å; G76-F80 PolarHBondContact O-N 2.95Å; L77-F80 WeakPolarHBondContact O-CB 3.42Å; L77-F80 PolarHBondContact O-N 3.36Å; F80-K82 PolarHBondContact O-N 2.96Å; F80-K83 WeakPolarHBondContact O-CB 3.49Å; F80-K83 PolarHBondContact O-N 3.5Å; F80-L84 HydrophobicContact CD1-CD1 4.16Å; F80-L84 HydrophobicContact CE1-CD1 3.59Å; F80-L84 HydrophobicContact CE1-CG 4.3Å; F80-L84 HydrophobicContact CZ-CD1 3.94Å; F80-L84 HydrophobicContact CZ-CD2 4.41Å; F80-L84 HydrophobicContact CZ-CG 4.36Å; F80-L84 PolarHBondContact O-N 2.96Å; F80-L84 VanDerWaalsContact O-N 3.14Å
81V91.6Very high83.6Confident0 Ų059.3 Ų59.30%031%0.307CS..Hα-helixtrans-65.7-40.5179.3-175.40000111.5V5 I8 I25 F43 L77 C78 K83 L84 V85 L100V5-V81 HydrophobicContact CG2-CB 4.07Å; V5-V81 HydrophobicContact CG2-CG1 3.5Å; V5-V81 VanDerWaalsContact CG2-CG1 3.5Å; I8-V81 HydrophobicContact CD1-CB 4.41Å; I8-V81 HydrophobicContact CD1-CG2 3.8Å; I25-V81 HydrophobicContact CD1-CG2 4.03Å; I25-V81 HydrophobicContact CG2-CG1 3.84Å; I25-V81 HydrophobicContact CG2-CG2 4.38Å; F43-V81 HydrophobicContact CD1-CG2 4.43Å; F43-V81 HydrophobicContact CE1-CG2 3.78Å; L77-V81 WeakPolarHBondContact O-CG2 3.33Å; L77-V81 PolarHBondContact O-N 2.88Å; C78-V81 PolarHBondContact O-N 2.77Å; V81-K83 PolarHBondContact O-N 3.48Å; V81-L84 WeakPolarHBondContact O-CB 3.5Å; V81-L84 PolarHBondContact O-N 3.35Å; V81-L84 VanDerWaalsContact O-N 3.1Å; V81-V85 WeakPolarHBondContact O-CG2 3.35Å; V81-V85 PolarHBondContact O-N 3.29Å; V81-V85 VanDerWaalsContact O-N 3.07Å; V81-L100 HydrophobicContact CG1-CD2 3.88Å
82K90.3Very high85.8Confident103 Ų10361.4 Ų61.445%0.44831%0.307SS..Hα-helixtrans-55.1-41174.9-82.5-178.8176.4-176.10111.9V5 C78 N79 F80 V85 S86V5-K82 HydrophobicContact CB-CG 3.9Å; V5-K82 HydrophobicContact CG2-CG 4.06Å; C78-K82 WeakPolarHBondContact O-CB 3.25Å; C78-K82 WeakPolarHBondContact O-CG 3.36Å; C78-K82 PolarHBondContact O-N 2.91Å; N79-K82 PolarHBondContact O-N 3.33Å; F80-K82 PolarHBondContact O-N 2.96Å; K82-V85 WeakPolarHBondContact O-CG2 3.26Å; K82-V85 PolarHBondContact O-N 3.05Å; K82-S86 VanDerWaalsContact O-CB 3.25Å; K82-S86 WeakPolarHBondContact O-CB 3.46Å; K82-S86 PolarHBondContact O-N 2.9Å; K82-S86 PolarHBondContact O-OG 3.43Å; K82-S86 VanDerWaalsContact O-OG 3.08Å
83K89.3Confident87.1Confident96 Ų9658.6 Ų58.642%0.41729%0.293SS..Hα-helixtrans-67-39.3177.9-158.482.7178.7-172.50112.2L59 N79 F80 V81 S86 T87L59-K83 HydrophobicContact CD1-CB 3.8Å; L59-K83 HydrophobicContact CD1-CG 3.8Å; N79-K83 PolarHBondContact O-N 2.99Å; F80-K83 WeakPolarHBondContact O-CB 3.49Å; F80-K83 PolarHBondContact O-N 3.5Å; V81-K83 PolarHBondContact O-N 3.48Å; K83-S86 WeakPolarHBondContact CA-OG 3.43Å; K83-S86 PolarHBondContact O-OG 2.93Å; K83-T87 WeakPolarHBondContact O-CB 3.32Å; K83-T87 PolarHBondContact O-N 2.76Å; K83-T87 PolarHBondContact O-OG1 2.74Å
84L90.8Very high87.8Confident0 Ų065 Ų650%032%0.324CS..Hα-helixtrans-59.2-47.9175-66.8179.2000111.4V46 L50 L59 F80 V81 L90 I91 V96 F99V46-L84 HydrophobicContact CG1-CD1 4.5Å; L50-L84 HydrophobicContact CD1-CD2 3.46Å; L50-L84 VanDerWaalsContact CD1-CD2 3.46Å; L59-L84 HydrophobicContact CD1-CD2 4.15Å; L59-L84 HydrophobicContact CD2-CD2 4.16Å; F80-L84 HydrophobicContact CD1-CD1 4.16Å; F80-L84 HydrophobicContact CE1-CD1 3.59Å; F80-L84 HydrophobicContact CE1-CG 4.3Å; F80-L84 HydrophobicContact CZ-CD1 3.94Å; F80-L84 HydrophobicContact CZ-CD2 4.41Å; F80-L84 HydrophobicContact CZ-CG 4.36Å; F80-L84 PolarHBondContact O-N 2.96Å; F80-L84 VanDerWaalsContact O-N 3.14Å; V81-L84 WeakPolarHBondContact O-CB 3.5Å; V81-L84 PolarHBondContact O-N 3.35Å; V81-L84 VanDerWaalsContact O-N 3.1Å; L84-L90 HydrophobicContact CD2-CB 4.37Å; L84-L90 HydrophobicContact CD2-CD1 4.21Å; L84-I91 PolarHBondContact O-N 2.91Å; L84-V96 HydrophobicContact CB-CG1 4.19Å; L84-V96 HydrophobicContact CD1-CG1 4.41Å; L84-V96 HydrophobicContact CD2-CG2 4.02Å; L84-F99 HydrophobicContact CD1-CD1 4.4Å; L84-F99 HydrophobicContact CD1-CE1 4.44Å
85V90.7Very high88.3Confident15 Ų1561.8 Ų61.89%0.09132%0.316CS..Hα-helixtrans-79.6-23.2-177.5-66.90000114.1V3 V5 L27 V81 K82 T87 I91 L100V3-V85 HydrophobicContact CB-CB 4.23Å; V3-V85 HydrophobicContact CB-CG1 4.1Å; V3-V85 HydrophobicContact CG1-CB 4.37Å; V3-V85 HydrophobicContact CG1-CG1 3.83Å; V5-V85 HydrophobicContact CG2-CG2 3.76Å; L27-V85 HydrophobicContact CD2-CG1 4.26Å; V81-V85 WeakPolarHBondContact O-CG2 3.35Å; V81-V85 PolarHBondContact O-N 3.29Å; V81-V85 VanDerWaalsContact O-N 3.07Å; K82-V85 WeakPolarHBondContact O-CG2 3.26Å; K82-V85 PolarHBondContact O-N 3.05Å; V85-T87 VanDerWaalsContact C-N 3.34Å; V85-I91 HydrophobicContact CB-CD1 4.11Å; V85-I91 HydrophobicContact CG1-CD1 4.14Å; V85-L100 HydrophobicContact CG1-CD1 3.56Å
86S87.9Confident88.9Confident88 Ų8854.9 Ų54.962%0.61529%0.286SS*.Hα-helixtrans-82.5-9.817869.50000114.1K82 K83K82-S86 VanDerWaalsContact O-CB 3.25Å; K82-S86 WeakPolarHBondContact O-CB 3.46Å; K82-S86 PolarHBondContact O-N 2.9Å; K82-S86 PolarHBondContact O-OG 3.43Å; K82-S86 VanDerWaalsContact O-OG 3.08Å; K83-S86 WeakPolarHBondContact CA-OG 3.43Å; K83-S86 PolarHBondContact O-OG 2.93Å
87T87.9Confident89.1Confident41 Ų4156.1 Ų56.125%0.25229%0.286SS..SBendtrans-110.1114.8-175.2-48.70000109.1K83 V85 L89 L90 I91K83-T87 WeakPolarHBondContact O-CB 3.32Å; K83-T87 PolarHBondContact O-N 2.76Å; K83-T87 PolarHBondContact O-OG1 2.74Å; V85-T87 VanDerWaalsContact C-N 3.34Å; T87-L89 VanDerWaalsContact C-N 3.28Å; T87-L89 PolarHBondContact O-N 3.41Å; T87-L90 HydrophobicContact CG2-CB 4.38Å; T87-L90 HydrophobicContact CG2-CD1 3.99Å; T87-L90 HydrophobicContact CG2-CG 3.88Å; T87-L90 PolarHBondContact O-N 3.27Å; T87-L90 VanDerWaalsContact O-N 3.08Å; T87-I91 PolarHBondContact O-N 3.42Å
88D85.3Confident89.1Confident121 Ų12162.2 Ų62.265%0.64732%0.318SS*.Hα-helixtrans-59.1-35-171.6-93.1-27.6000114K92D88-K92 WeakPolarHBondContact O-CB 3.18Å; D88-K92 WeakPolarHBondContact O-CD 3.44Å; D88-K92 VanDerWaalsContact O-CG 3.22Å; D88-K92 WeakPolarHBondContact O-CG 3.41Å; D88-K92 PolarHBondContact O-N 3.44Å
89L87.1Confident89.4Confident107 Ų10761.7 Ų61.756%0.5631%0.313SS*.Hα-helixtrans-69.9-44.2175.6-84.1148.3000111.6D55 T87 K92 N93D55-L89 HydrophobicContact CB-CB 4.45Å; T87-L89 VanDerWaalsContact C-N 3.28Å; T87-L89 PolarHBondContact O-N 3.41Å; L89-K92 PolarHBondContact O-N 3.45Å; L89-N93 PolarHBondContact O-N 2.89Å
90L88.3Confident89.6Confident6 Ų657 Ų573%0.03129%0.288CS..Hα-helixtrans-67.9-43.1-178.4-62.4177.5000112L50 L59 L84 T87 K92 N93 V96L50-L90 HydrophobicContact CD1-CD2 4.43Å; L50-L90 HydrophobicContact CD2-CD2 4.1Å; L59-L90 HydrophobicContact CD1-CD1 4.25Å; L84-L90 HydrophobicContact CD2-CB 4.37Å; L84-L90 HydrophobicContact CD2-CD1 4.21Å; T87-L90 HydrophobicContact CG2-CB 4.38Å; T87-L90 HydrophobicContact CG2-CD1 3.99Å; T87-L90 HydrophobicContact CG2-CG 3.88Å; T87-L90 PolarHBondContact O-N 3.27Å; T87-L90 VanDerWaalsContact O-N 3.08Å; L90-K92 PolarHBondContact O-N 2.91Å; L90-N93 VanDerWaalsContact O-CB 3.24Å; L90-N93 WeakPolarHBondContact O-CB 3.47Å; L90-N93 PolarHBondContact O-N 2.88Å; L90-N93 VanDerWaalsContact O-N 3.09Å; L90-V96 VanDerWaalsContact O-CB 3.23Å; L90-V96 WeakPolarHBondContact O-CB 3.39Å; L90-V96 WeakPolarHBondContact O-CG1 3.49Å; L90-V96 WeakPolarHBondContact O-CG2 3.26Å
91I89.1Confident89.5Confident17 Ų1758.2 Ų58.29%0.08730%0.295CS..Hα-helixtrans-67.7-21.3179.5-157.9175.8000112.8V3 L84 V85 T87 Q97 L102V3-I91 HydrophobicContact CB-CD1 3.74Å; V3-I91 HydrophobicContact CG2-CD1 3.61Å; L84-I91 PolarHBondContact O-N 2.91Å; V85-I91 HydrophobicContact CB-CD1 4.11Å; V85-I91 HydrophobicContact CG1-CD1 4.14Å; T87-I91 PolarHBondContact O-N 3.42Å; I91-Q97 WeakPolarHBondContact O-CG 3.27Å; I91-Q97 PolarHBondContact O-NE2 3.16Å; I91-L102 HydrophobicContact CD1-CD1 4.3Å; I91-L102 HydrophobicContact CG1-CD1 3.77Å
92K88Confident89.1Confident146 Ų14660 Ų6064%0.63530%0.304SS*.Hα-helixtrans-84.1-15.1174.6-73.3176.2-172.91730113.3D88 L89 L90 E94D88-K92 WeakPolarHBondContact O-CB 3.18Å; D88-K92 WeakPolarHBondContact O-CD 3.44Å; D88-K92 VanDerWaalsContact O-CG 3.22Å; D88-K92 WeakPolarHBondContact O-CG 3.41Å; D88-K92 PolarHBondContact O-N 3.44Å; L89-K92 PolarHBondContact O-N 3.45Å; L90-K92 PolarHBondContact O-N 2.91Å; K92-E94 PolarHBondContact O-N 2.88Å
93N89.9Confident88.3Confident54 Ų5460.1 Ų60.129%0.28931%0.31SS..SBendtrans-64.4133177.2-176.2-72.3000110.7L50 L89 L90 D95 V96 Q97L50-N93 HydrophobicContact CD2-CB 4.26Å; L89-N93 PolarHBondContact O-N 2.89Å; L90-N93 VanDerWaalsContact O-CB 3.24Å; L90-N93 WeakPolarHBondContact O-CB 3.47Å; L90-N93 PolarHBondContact O-N 2.88Å; L90-N93 VanDerWaalsContact O-N 3.09Å; N93-D95 VanDerWaalsContact C-N 3.33Å; N93-D95 PolarHBondContact O-N 3.18Å; N93-D95 WeakPolarHBondContact OD1-CB 3.44Å; N93-D95 PolarHBondContact OD1-N 3.41Å; N93-V96 HydrophobicContact CB-CB 4.3Å; N93-V96 HydrophobicContact CB-CG2 4.09Å; N93-V96 PolarHBondContact O-N 3.37Å; N93-V96 VanDerWaalsContact O-N 3.14Å; N93-Q97 WeakPolarHBondContact O-CG 3.5Å; N93-Q97 PolarHBondContact O-N 2.93Å
94E88.3Confident87.1Confident168 Ų16861 Ų6179%0.78531%0.314SS*.Hα-helixtrans-58.2-41.6-177.5-92.9-173.215300113.1K92 V96 Q97 L98K92-E94 PolarHBondContact O-N 2.88Å; E94-V96 VanDerWaalsContact C-N 3.28Å; E94-V96 PolarHBondContact O-N 2.87Å; E94-Q97 PolarHBondContact O-N 2.79Å; E94-L98 WeakPolarHBondContact O-CB 3.42Å; E94-L98 PolarHBondContact O-N 3.48Å
95D90.2Very high84.9Confident50 Ų5065.3 Ų65.327%0.26734%0.337SS..Hα-helixtrans-65-35.9179.2-72.9-62.1000111.4K49 N93 F99K49-D95 HydrophobicContact CD-CB 4.36Å; K49-D95 VanDerWaalsContact CD-CG 3.5Å; K49-D95 WeakPolarHBondContact CD-OD2 2.94Å; K49-D95 IonicContact NZ-OD1 3.65Å; K49-D95 PolarHBondContact NZ-OD1 3.4Å; K49-D95 IonicContact NZ-OD2 2.61Å; K49-D95 PolarHBondContact NZ-OD2 2.77Å; N93-D95 VanDerWaalsContact C-N 3.33Å; N93-D95 PolarHBondContact O-N 3.18Å; N93-D95 WeakPolarHBondContact OD1-CB 3.44Å; N93-D95 PolarHBondContact OD1-N 3.41Å; D95-F99 WeakPolarHBondContact O-CB 3.26Å; D95-F99 PolarHBondContact O-N 2.76Å
96V91.5Very high82.5Confident0 Ų074 Ų740%037%0.374CS..Hα-helixtrans-69.9-41.3175.3176.10000110.8V46 L50 L84 L90 N93 E94 L98 F99 L100V46-V96 HydrophobicContact CG1-CG2 4.28Å; L50-V96 HydrophobicContact CD1-CG2 3.71Å; L50-V96 HydrophobicContact CD2-CG2 4.07Å; L50-V96 HydrophobicContact CG-CG2 4.39Å; L84-V96 HydrophobicContact CB-CG1 4.19Å; L84-V96 HydrophobicContact CD1-CG1 4.41Å; L84-V96 HydrophobicContact CD2-CG2 4.02Å; L90-V96 VanDerWaalsContact O-CB 3.23Å; L90-V96 WeakPolarHBondContact O-CB 3.39Å; L90-V96 WeakPolarHBondContact O-CG1 3.49Å; L90-V96 WeakPolarHBondContact O-CG2 3.26Å; N93-V96 HydrophobicContact CB-CB 4.3Å; N93-V96 HydrophobicContact CB-CG2 4.09Å; N93-V96 PolarHBondContact O-N 3.37Å; N93-V96 VanDerWaalsContact O-N 3.14Å; E94-V96 VanDerWaalsContact C-N 3.28Å; E94-V96 PolarHBondContact O-N 2.87Å; V96-L98 VanDerWaalsContact C-N 3.35Å; V96-L98 PolarHBondContact O-N 2.84Å; V96-F99 PolarHBondContact O-N 2.73Å; V96-L100 HydrophobicContact CG1-CD1 3.8Å; V96-L100 HydrophobicContact CG1-CG 4.33Å; V96-L100 WeakPolarHBondContact O-CB 2.99Å; V96-L100 WeakPolarHBondContact O-CG 3.39Å; V96-L100 PolarHBondContact O-N 2.8Å
97Q90.3Very high79.9Confident44 Ų4478.3 Ų78.321%0.20638%0.384CS..Hα-helixtrans-64.5-39.8177.2-68.6-168.56.500112.5I91 N93 E94 D101 L102 N103I91-Q97 WeakPolarHBondContact O-CG 3.27Å; I91-Q97 PolarHBondContact O-NE2 3.16Å; N93-Q97 WeakPolarHBondContact O-CG 3.5Å; N93-Q97 PolarHBondContact O-N 2.93Å; E94-Q97 PolarHBondContact O-N 2.79Å; Q97-D101 WeakPolarHBondContact O-CA 3.34Å; Q97-D101 PolarHBondContact O-N 2.98Å; Q97-L102 HydrophobicContact CB-CB 4.25Å; Q97-L102 HydrophobicContact CB-CD1 4.48Å; Q97-L102 HydrophobicContact CG-CB 4.31Å; Q97-L102 HydrophobicContact CG-CD1 3.97Å; Q97-L102 PolarHBondContact O-N 2.82Å; Q97-N103 PolarHBondContact OE1-ND2 3.43Å
98L89.7Confident77.1Confident128 Ų12883.6 Ų83.667%0.6741%0.41SS*.Hα-helixtrans-67.5-44173.4-162.880.1000111R38 E94 V96 L100 D101R38-L98 PolarHBondContact NH2-O 2.82Å; R38-L98 VanDerWaalsContact NH2-O 3.08Å; E94-L98 WeakPolarHBondContact O-CB 3.42Å; E94-L98 PolarHBondContact O-N 3.48Å; V96-L98 VanDerWaalsContact C-N 3.35Å; V96-L98 PolarHBondContact O-N 2.84Å; L98-L100 VanDerWaalsContact C-N 3.28Å; L98-L100 PolarHBondContact O-N 2.87Å; L98-D101 PolarHBondContact O-N 2.84Å
99F92.9Very high74.2Confident9 Ų982.1 Ų82.14%0.03941%0.409CS..Hα-helixtrans-61.6-35.5178.3176.9-102.6000112.8I25 V36 R38 E42 F43 V46 L84 D95 V96I25-F99 HydrophobicContact CD1-CE1 3.76Å; I25-F99 HydrophobicContact CD1-CZ 3.82Å; V36-F99 WeakPolarHBondContact CG1-O 3.48Å; R38-F99 HydrophobicContact CB-CE2 3.92Å; R38-F99 HydrophobicContact CB-CZ 4.24Å; R38-F99 HydrophobicContact CG-CD2 4.02Å; R38-F99 HydrophobicContact CG-CE2 3.46Å; R38-F99 VanDerWaalsContact CG-CE2 3.46Å; R38-F99 HydrophobicContact CG-CZ 3.86Å; R38-F99 VanDerWaalsContact CZ-O 3.24Å; R38-F99 PolarHBondContact NE-O 3.17Å; R38-F99 PolarHBondContact NH2-O 2.8Å; E42-F99 HydrophobicContact CB-CE2 4.2Å; F43-F99 HydrophobicContact CD1-CE1 4.29Å; F43-F99 HydrophobicContact CD1-CE2 4.44Å; F43-F99 AromaticContact CD1-CZ 3.55Å; F43-F99 HydrophobicContact CD1-CZ 3.55Å; F43-F99 HydrophobicContact CD2-CE2 4.48Å; F43-F99 HydrophobicContact CD2-CZ 4.22Å; F43-F99 HydrophobicContact CE1-CE1 4.29Å; F43-F99 AromaticContact CE1-CZ 3.66Å; F43-F99 HydrophobicContact CE1-CZ 3.66Å; F43-F99 HydrophobicContact CE2-CZ 4.3Å; F43-F99 HydrophobicContact CG-CE2 4.31Å; F43-F99 AromaticContact CG-CZ 3.85Å; F43-F99 HydrophobicContact CG-CZ 3.85Å; F43-F99 HydrophobicContact CZ-CZ 4.04Å; V46-F99 HydrophobicContact CG2-CB 3.7Å; V46-F99 HydrophobicContact CG2-CD2 3.59Å; V46-F99 HydrophobicContact CG2-CE2 4.35Å; V46-F99 HydrophobicContact CG2-CG 3.68Å; L84-F99 HydrophobicContact CD1-CD1 4.4Å; L84-F99 HydrophobicContact CD1-CE1 4.44Å; D95-F99 WeakPolarHBondContact O-CB 3.26Å; D95-F99 PolarHBondContact O-N 2.76Å; V96-F99 PolarHBondContact O-N 2.73Å
100L91.6Very high71.3Confident0 Ų084.4 Ų84.40%042%0.422CS..THydrogen-bonded Turntrans-98.74.4179.3-60.6178.2000114I25 L27 W34 V36 V81 V85 V96 L98 L102I25-L100 HydrophobicContact CD1-CD2 4.29Å; L27-L100 HydrophobicContact CD1-CB 4.17Å; L27-L100 HydrophobicContact CD1-CD2 4.06Å; L27-L100 HydrophobicContact CD2-CD2 4.45Å; W34-L100 PolarHBondContact NE1-O 2.79Å; V36-L100 WeakPolarHBondContact CG2-O 3.32Å; V81-L100 HydrophobicContact CG1-CD2 3.88Å; V85-L100 HydrophobicContact CG1-CD1 3.56Å; V96-L100 HydrophobicContact CG1-CD1 3.8Å; V96-L100 HydrophobicContact CG1-CG 4.33Å; V96-L100 WeakPolarHBondContact O-CB 2.99Å; V96-L100 WeakPolarHBondContact O-CG 3.39Å; V96-L100 PolarHBondContact O-N 2.8Å; L98-L100 VanDerWaalsContact C-N 3.28Å; L98-L100 PolarHBondContact O-N 2.87Å; L100-L102 HydrophobicContact CB-CD1 4.16Å; L100-L102 HydrophobicContact CB-CG 3.93Å; L100-L102 HydrophobicContact CD1-CD1 4.24Å; L100-L102 PolarHBondContact O-N 3.24Å
101D87.5Confident68.3Low29 Ų2992.3 Ų92.316%0.15546%0.463CS..THydrogen-bonded Turntrans51.935.2-177.4-89.5-36.5000114.1V36 R38 Q97 L98 N103 K104V36-D101 HydrophobicContact CG2-CB 3.97Å; R38-D101 IonicContact NH2-OD2 3.34Å; Q97-D101 WeakPolarHBondContact O-CA 3.34Å; Q97-D101 PolarHBondContact O-N 2.98Å; L98-D101 PolarHBondContact O-N 2.84Å; D101-N103 PolarHBondContact O-N 2.81Å; D101-K104 HydrophobicContact CB-CD 4.07Å; D101-K104 VanDerWaalsContact CG-NZ 3.3Å; D101-K104 PolarHBondContact O-N 3.42Å; D101-K104 WeakPolarHBondContact OD1-CD 3.39Å; D101-K104 WeakPolarHBondContact OD1-CE 3.5Å; D101-K104 IonicContact OD1-NZ 2.65Å; D101-K104 PolarHBondContact OD1-NZ 2.89Å; D101-K104 IonicContact OD2-NZ 3.45Å; D101-K104 PolarHBondContact OD2-NZ 3.07Å
102L83.4Confident65.2Low38 Ų3895.9 Ų95.920%0.19950%0.495CS..THydrogen-bonded Turntrans-64.5-25-173.3-77.2169.1000113.9V3 W34 I91 Q97 L100V3-L102 HydrophobicContact CG1-CD2 4.29Å; V3-L102 HydrophobicContact CG2-CD2 3.74Å; W34-L102 HydrophobicContact CH2-CD2 3.63Å; W34-L102 HydrophobicContact CZ2-CD2 3.43Å; W34-L102 VanDerWaalsContact CZ2-CD2 3.43Å; W34-L102 HydrophobicContact CZ2-CG 4.35Å; I91-L102 HydrophobicContact CD1-CD1 4.3Å; I91-L102 HydrophobicContact CG1-CD1 3.77Å; Q97-L102 HydrophobicContact CB-CB 4.25Å; Q97-L102 HydrophobicContact CB-CD1 4.48Å; Q97-L102 HydrophobicContact CG-CB 4.31Å; Q97-L102 HydrophobicContact CG-CD1 3.97Å; Q97-L102 PolarHBondContact O-N 2.82Å; L100-L102 HydrophobicContact CB-CD1 4.16Å; L100-L102 HydrophobicContact CB-CG 3.93Å; L100-L102 HydrophobicContact CD1-CD1 4.24Å; L100-L102 PolarHBondContact O-N 3.24Å
103N75.2Confident62.3Low106 Ų10694.4 Ų94.457%0.56750%0.503SS*.THydrogen-bonded Turntrans-105.72-173.2-68.8-25.3000115.2Q97 D101 N105 K106Q97-N103 PolarHBondContact OE1-ND2 3.43Å; D101-N103 PolarHBondContact O-N 2.81Å; N103-N105 PolarHBondContact O-N 3.22Å; N103-K106 PolarHBondContact O-N 3.36Å
104K64.2Low59.2Low115 Ų11597 Ų9750%0.553%0.526SS..G310 helixtrans-60.7-9.8-173.4-109.4-177.4-175.4164.10115.4D101D101-K104 HydrophobicContact CB-CD 4.07Å; D101-K104 VanDerWaalsContact CG-NZ 3.3Å; D101-K104 PolarHBondContact O-N 3.42Å; D101-K104 WeakPolarHBondContact OD1-CD 3.39Å; D101-K104 WeakPolarHBondContact OD1-CE 3.5Å; D101-K104 IonicContact OD1-NZ 2.65Å; D101-K104 PolarHBondContact OD1-NZ 2.89Å; D101-K104 IonicContact OD2-NZ 3.45Å; D101-K104 PolarHBondContact OD2-NZ 3.07Å
105N44.5Very low56.4Low90 Ų9097.6 Ų97.648%0.48153%0.529SS..G310 helixtrans-102.318.6-175.3-77.3-44.4000115.7R32 N103R32-N105 VanDerWaalsContact NH1-CB 3.32Å; R32-N105 PolarHBondContact NH1-ND2 2.93Å; N103-N105 PolarHBondContact O-N 3.22Å
106K40.1Very low53.5Low198 Ų198103.4 Ų103.486%0.86156%0.559SS**G310 helixtrans-85.5-8166.5-96.3-175.5176.6-179.40114.4N103N103-K106 PolarHBondContact O-N 3.36Å
107E31.9Very low50.9Low178 Ų178107.8 Ų107.883%0.83259%0.586SS**SBendtrans-116.8-1.2-174.5-68.7-164.1155.800116.1S109E107-S109 PolarHBondContact O-N 2.92Å
108L30Very low48.9Very low152 Ų152107.1 Ų107.180%0.79658%0.584SS**  trans-93.864.7173.6-85.8106.3000112.3
109S24.7Very low47Very low90 Ų90104 Ų10463%0.62957%0.568SS**  trans-146.184.6159.160.70000107.8E107E107-S109 PolarHBondContact O-N 2.92Å
110N24.8Very low45.2Very low155 Ų155103.8 Ų103.883%0.82957%0.567SS**  trans161.983.3155.9-82.7-19000109.1
111L26.4Very low43.3Very low172 Ų172104.5 Ų104.590%0.90157%0.571SS**  trans-16078.8150.9-103.7132.3000108.2
112A24.9Very low41.6Very low91 Ų91103.6 Ų103.675%0.75257%0.566SS**  trans-86.7139.3157.100000108.5
113S25.3Very low39.9Very low115 Ų115102.7 Ų102.780%0.80457%0.566SS**  trans61.1101.8166.166.90000118.2
114S26.7Very low38.4Very low110 Ų110102.1 Ų102.177%0.76957%0.568SS**  -170.8127.2127.832.70000111
115Q27.5Very low37.2Very low180 Ų18098.1 Ų98.184%0.84155%0.553SS**  trans25.5119.6162.4-63.4-175-17.200119T117Q115-T117 PolarHBondContact O-N 2.85Å
116D30.8Very low37.1Very low171 Ų171102.7 Ų102.791%0.91457%0.572SS**  trans-39.395.8169.5-92.9-33.5000113
117T36.3Very low37.3Very low93 Ų9395.8 Ų95.857%0.57154%0.544SS*.  trans-117.3104.3155.658.60000106.2Q115 L119Q115-T117 PolarHBondContact O-N 2.85Å; T117-L119 PolarHBondContact O-N 2.88Å
118D48Very low38Very low30 Ų3092.8 Ų92.816%0.1653%0.529CS..  trans-60.6108171.6-102.1-24.6000107T207 K208 M440D118-T207 PolarHBondContact OD1-OG1 3.12Å; D118-T207 PolarHBondContact OD2-OG1 3.36Å; D118-K208 IonicContact OD2-NZ 3.7Å; D118-K208 PolarHBondContact OD2-NZ 2.77Å; D118-M440 HydrophobicContact CB-CE 3.26Å; D118-M440 HydrophobicContact CB-SD 3.96Å; D118-M440 WeakPolarHBondContact O-CG 3.15Å
119L50.2Low38.7Very low61 Ų6193.1 Ų93.132%0.31952%0.524SS..  trans-87.2131.1-175.1-73.6154.1000109.8T117 S205 T206T117-L119 PolarHBondContact O-N 2.88Å; L119-S205 CarbonylContact O-C 3.6Å; L119-S205 WeakPolarHBondContact O-CA 3.34Å; L119-S205 WeakPolarHBondContact O-CB 3.35Å; L119-T206 HydrophobicContact CB-CG2 4.08Å; L119-T206 PolarHBondContact O-N 3.05Å
120I54.1Low40Very low5 Ų589.4 Ų89.43%0.02650%0.498CS..EExtended strand (participates in β ladder)trans-95.2136.7-178.8-65.7175.6000112.4L122 F203 Q204 M440I120-L122 HydrophobicContact CG2-CD2 3.82Å; I120-L122 HydrophobicContact CG2-CG 3.96Å; I120-F203 HydrophobicContact CD1-CD2 3.91Å; I120-F203 HydrophobicContact CD1-CE2 3.8Å; I120-F203 HydrophobicContact CG1-CD2 4.31Å; I120-F203 HydrophobicContact CG2-CB 4.33Å; I120-F203 HydrophobicContact CG2-CD2 3.9Å; I120-Q204 CarbonylContact C-O 3.59Å; I120-Q204 VanDerWaalsContact CA-O 3.28Å; I120-Q204 WeakPolarHBondContact CA-O 3.29Å; I120-Q204 WeakPolarHBondContact CG2-O 3.31Å; I120-M440 HydrophobicContact CD1-CB 3.29Å; I120-M440 HydrophobicContact CD1-CG 3.79Å; I120-M440 HydrophobicContact CD1-SD 3.39Å; I120-M440 WeakPolarHBondContact CD1-SD 3.26Å; I120-M440 HydrophobicContact CG1-CB 3.71Å; I120-M440 HydrophobicContact CG1-CG 4.08Å; I120-M440 HydrophobicContact CG1-SD 3.27Å; I120-M440 WeakPolarHBondContact CG1-SD 3.36Å
121D52.4Low41.9Very low16 Ų1682.5 Ų82.59%0.08646%0.462CS..EExtended strand (participates in β ladder)trans-111.2119.5164.7168.442.9000111.3G123 Q204 I448 S456D121-G123 WeakPolarHBondContact OD1-CA 3.33Å; D121-G123 PolarHBondContact OD1-N 3.41Å; D121-Q204 HydrophobicContact CB-CG 4.04Å; D121-Q204 PolarHBondContact N-O 3.03Å; D121-Q204 WeakPolarHBondContact O-CG 3.17Å; D121-Q204 PolarHBondContact O-N 2.84Å; D121-Q204 PolarHBondContact OD2-NE2 3.49Å; D121-Q204 VanDerWaalsContact OD2-NE2 3.17Å; D121-I448 HydrophobicContact CB-CD1 4.06Å; D121-I448 HydrophobicContact CB-CG1 3.75Å; D121-I448 VanDerWaalsContact CG-CG1 3.44Å; D121-I448 VanDerWaalsContact OD1-CD1 3.31Å; D121-I448 WeakPolarHBondContact OD1-CD1 3.42Å; D121-I448 WeakPolarHBondContact OD2-CD1 3.38Å; D121-I448 WeakPolarHBondContact OD2-CG1 3.44Å; D121-I448 VanDerWaalsContact OD2-CG2 3.27Å; D121-I448 WeakPolarHBondContact OD2-CG2 3.24Å; D121-S456 PolarHBondContact O-OG 2.84Å
122L52.3Low44Very low9 Ų974.6 Ų74.65%0.04742%0.42CS..  trans-93.13.3178.7-66.4175.2000113I120 T125 D127 K128 A130 F203 A442 S456I120-L122 HydrophobicContact CG2-CD2 3.82Å; I120-L122 HydrophobicContact CG2-CG 3.96Å; L122-T125 PolarHBondContact O-OG1 3.32Å; L122-D127 WeakPolarHBondContact CD1-O 3.3Å; L122-K128 VanDerWaalsContact CD1-C 3.43Å; L122-A130 HydrophobicContact CD1-CB 4.18Å; L122-A130 WeakPolarHBondContact CD1-O 3.43Å; L122-A130 HydrophobicContact CD2-CB 4.06Å; L122-A130 WeakPolarHBondContact CD2-O 3.3Å; L122-F203 HydrophobicContact CD2-CB 3.53Å; L122-F203 HydrophobicContact CD2-CG 4.3Å; L122-A442 HydrophobicContact CD1-CB 4.39Å; L122-S456 WeakPolarHBondContact O-CB 3.28Å
123G48.4Very low46.3Very low19 Ų1973.4 Ų73.420%0.19640%0.401CS..  trans64-164.8-174.900000112.2D121 T125D121-G123 WeakPolarHBondContact OD1-CA 3.33Å; D121-G123 PolarHBondContact OD1-N 3.41Å; G123-T125 PolarHBondContact O-N 2.85Å
124P42.1Very low48.8Very low94 Ų9469.4 Ų69.461%0.6137%0.371SS*.SBendtrans-76.533.2-176.131-34.6000114.2
125T40.7Very low51.6Low31 Ų3164.8 Ų64.819%0.1934%0.337CS..  trans-92.8148.5-176.753.20000112.4L122 G123 D127 V458L122-T125 PolarHBondContact O-OG1 3.32Å; G123-T125 PolarHBondContact O-N 2.85Å; T125-D127 VanDerWaalsContact C-N 3.32Å; T125-D127 PolarHBondContact O-N 2.97Å; T125-V458 HydrophobicContact CG2-CB 4.33Å
126E41.3Very low54.5Low186 Ų18661 Ų6187%0.86932%0.319SS*.SBendtrans-70.1-20-170-69-175.7162.600114.5
127D44.3Very low57.3Low54 Ų5453.9 Ų53.929%0.28928%0.281SS..  trans-101.787.2176.3-156.7-14.5000111.1L122 T125 K129L122-D127 WeakPolarHBondContact CD1-O 3.3Å; T125-D127 VanDerWaalsContact C-N 3.32Å; T125-D127 PolarHBondContact O-N 2.97Å; D127-K129 PolarHBondContact O-N 3.3Å; D127-K129 VanDerWaalsContact OD1-CB 3.3Å; D127-K129 WeakPolarHBondContact OD1-CB 3.15Å; D127-K129 PolarHBondContact OD1-N 3.16Å
128K46.9Very low59.8Low115 Ų11552.5 Ų52.550%0.527%0.273SS..THydrogen-bonded Turntrans-65.28174.9-61.3-173.2-175.7-1760113.9L122 A442 N444L122-K128 VanDerWaalsContact CD1-C 3.43Å; K128-A442 WeakPolarHBondContact O-CB 3.18Å; K128-N444 VanDerWaalsContact CE-OD1 3.32Å; K128-N444 WeakPolarHBondContact CE-OD1 3.23Å; K128-N444 PolarHBondContact NZ-ND2 3.1Å; K128-N444 PolarHBondContact NZ-OD1 3.36Å
129K45.2Very low61.8Low159 Ų15954.6 Ų54.669%0.69128%0.28SS*.THydrogen-bonded Turntrans-108.4-9.1-173-58.7-175.4177.3-177.90115.1D127 S131D127-K129 PolarHBondContact O-N 3.3Å; D127-K129 VanDerWaalsContact OD1-CB 3.3Å; D127-K129 WeakPolarHBondContact OD1-CB 3.15Å; D127-K129 PolarHBondContact OD1-N 3.16Å; K129-S131 PolarHBondContact O-N 3.37Å
130A51.6Low63.7Low11 Ų1151.7 Ų51.79%0.09127%0.265CS..  trans-62.8111.2179.400000109.8L122L122-A130 HydrophobicContact CD1-CB 4.18Å; L122-A130 WeakPolarHBondContact CD1-O 3.43Å; L122-A130 HydrophobicContact CD2-CB 4.06Å; L122-A130 WeakPolarHBondContact CD2-O 3.3Å
131S65.5Low65.4Low10 Ų1052.5 Ų52.57%0.0727%0.269CS..  trans-130.7158-176.8170.70000109.2K129 D133 D134 F135 M440K129-S131 PolarHBondContact O-N 3.37Å; S131-D133 PolarHBondContact O-N 3.34Å; S131-D133 VanDerWaalsContact O-N 3.17Å; S131-D133 WeakPolarHBondContact OG-CB 3.28Å; S131-D133 VanDerWaalsContact OG-CG 3.27Å; S131-D133 PolarHBondContact OG-N 2.77Å; S131-D133 PolarHBondContact OG-OD2 3.17Å; S131-D134 WeakPolarHBondContact O-CB 3.11Å; S131-D134 PolarHBondContact O-N 3.41Å; S131-F135 WeakPolarHBondContact O-CD2 3.38Å; S131-F135 WeakPolarHBondContact O-CE2 3.41Å; S131-M440 PolarHBondContact OG-O 3.3Å
132L69.3Low67.1Low6 Ų652.2 Ų52.23%0.03127%0.27CS..G310 helixtrans-55.1-25.6164-80.9165.8000112.2D134 F135 I137 I163 F203 Y210 L435 M440L132-D134 PolarHBondContact O-N 2.78Å; L132-F135 PolarHBondContact O-N 2.98Å; L132-F135 VanDerWaalsContact O-O 3.07Å; L132-I137 HydrophobicContact CD2-CD1 4.43Å; L132-I163 HydrophobicContact CD2-CD1 4.39Å; L132-F203 HydrophobicContact CD1-CE2 4.48Å; L132-F203 HydrophobicContact CD2-CE2 4.47Å; L132-F203 HydrophobicContact CD2-CZ 3.93Å; L132-F203 HydrophobicContact CG-CE2 3.93Å; L132-F203 HydrophobicContact CG-CZ 3.82Å; L132-Y210 HydrophobicContact CD1-CD1 4.32Å; L132-Y210 HydrophobicContact CD1-CE1 3.6Å; L132-Y210 HydrophobicContact CD2-CD1 4.17Å; L132-Y210 HydrophobicContact CD2-CE1 4.14Å; L132-Y210 HydrophobicContact CG-CE1 4.26Å; L132-L435 HydrophobicContact CD1-CD2 4.19Å; L132-M440 HydrophobicContact CD1-CE 3.67Å; L132-M440 HydrophobicContact CD1-SD 4Å
133D73Confident68.6Low66 Ų6657.7 Ų57.735%0.35330%0.296SS..G310 helixtrans-59.9-25.2174.9-63.1-51000113.2S131 F135 R155 V439 M440S131-D133 PolarHBondContact O-N 3.34Å; S131-D133 VanDerWaalsContact O-N 3.17Å; S131-D133 WeakPolarHBondContact OG-CB 3.28Å; S131-D133 VanDerWaalsContact OG-CG 3.27Å; S131-D133 PolarHBondContact OG-N 2.77Å; S131-D133 PolarHBondContact OG-OD2 3.17Å; D133-F135 PolarHBondContact O-N 3.4Å; D133-R155 WeakPolarHBondContact O-CD 2.8Å; D133-R155 PolarHBondContact O-NE 3.48Å; D133-V439 WeakPolarHBondContact OD1-CA 3.43Å; D133-M440 PolarHBondContact OD2-N 3.09Å
134D78Confident69.9Low31 Ų3158.7 Ų58.717%0.16631%0.306CS..G310 helixtrans-72.2-6.9174.9-72.9-33.5000112.5S131 L132 R155 K156S131-D134 WeakPolarHBondContact O-CB 3.11Å; S131-D134 PolarHBondContact O-N 3.41Å; L132-D134 PolarHBondContact O-N 2.78Å; D134-R155 PolarHBondContact O-N 3.36Å; D134-K156 WeakPolarHBondContact OD1-CE 2.93Å; D134-K156 IonicContact OD1-NZ 3.37Å; D134-K156 PolarHBondContact OD1-NZ 3.08Å; D134-K156 IonicContact OD2-NZ 2.77Å; D134-K156 PolarHBondContact OD2-NZ 3.23Å
135F84.8Confident71.6Confident14 Ų1460.1 Ų60.16%0.06131%0.309CS..EExtended strand (participates in β ladder)trans-123.1139.1-174.9-56.4-76.7000111.5S131 L132 D133 I137 A152 V153 L161 I163 F201S131-F135 WeakPolarHBondContact O-CD2 3.38Å; S131-F135 WeakPolarHBondContact O-CE2 3.41Å; L132-F135 PolarHBondContact O-N 2.98Å; L132-F135 VanDerWaalsContact O-O 3.07Å; D133-F135 PolarHBondContact O-N 3.4Å; F135-I137 HydrophobicContact CB-CD1 4.48Å; F135-A152 HydrophobicContact CB-CB 4.14Å; F135-V153 WeakPolarHBondContact CA-O 3.2Å; F135-L161 HydrophobicContact CD1-CD1 4.26Å; F135-L161 HydrophobicContact CE1-CD1 3.72Å; F135-I163 HydrophobicContact CB-CD1 4.01Å; F135-I163 HydrophobicContact CD1-CD1 4.34Å; F135-I163 HydrophobicContact CD2-CD1 4.28Å; F135-I163 HydrophobicContact CG-CD1 3.9Å; F135-F201 HydrophobicContact CE1-CE1 4.48Å; F135-F201 AromaticContact CE1-CZ 3.81Å; F135-F201 HydrophobicContact CE1-CZ 3.81Å; F135-F201 AromaticContact CE2-CE2 3.76Å; F135-F201 HydrophobicContact CE2-CE2 3.76Å; F135-F201 AromaticContact CE2-CZ 3.53Å; F135-F201 HydrophobicContact CE2-CZ 3.53Å; F135-F201 AromaticContact CZ-CE1 3.9Å; F135-F201 HydrophobicContact CZ-CE1 3.9Å; F135-F201 AromaticContact CZ-CE2 3.8Å; F135-F201 HydrophobicContact CZ-CE2 3.8Å; F135-F201 AromaticContact CZ-CZ 3.06Å; F135-F201 HydrophobicContact CZ-CZ 3.06Å
136E89.6Confident73.5Confident99 Ų9960.2 Ų60.246%0.46331%0.307SS..EExtended strand (participates in β ladder)trans-95.1109.1164.4-172.6168.6145.600108.4V138 A152 V153 R155E136-V138 PolarHBondContact O-N 2.91Å; E136-A152 CarbonylContact O-C 3.51Å; E136-A152 WeakPolarHBondContact O-CA 3.45Å; E136-V153 PolarHBondContact N-O 2.79Å; E136-V153 PolarHBondContact O-N 2.79Å; E136-R155 IonicContact OE2-CZ 3.58Å; E136-R155 IonicContact OE2-NH1 3.18Å; E136-R155 PolarHBondContact OE2-NH1 3.37Å; E136-R155 IonicContact OE2-NH2 2.74Å
137I89.6Confident75.6Confident23 Ų2352.4 Ų52.412%0.11828%0.276CS..EExtended strand (participates in β ladder)trans-73.4118.2175.4-51-58.4000108.6L132 F135 Y150 A152 I163 V431L132-I137 HydrophobicContact CD2-CD1 4.43Å; F135-I137 HydrophobicContact CB-CD1 4.48Å; I137-Y150 HydrophobicContact CG2-CD1 4.04Å; I137-Y150 HydrophobicContact CG2-CG 4.05Å; I137-A152 HydrophobicContact CD1-CB 3.78Å; I137-I163 HydrophobicContact CD1-CD1 3.75Å; I137-V431 HydrophobicContact CB-CG1 4.29Å; I137-V431 HydrophobicContact CG2-CG1 3.57Å; I137-V431 HydrophobicContact CG2-CG2 4.27Å
138V88.3Confident77.8Confident64 Ų6452 Ų5239%0.38827%0.271SS..EExtended strand (participates in β ladder)trans-95.2-53-173.8-176.20000111.2E136 L151 V153E136-V138 PolarHBondContact O-N 2.91Å; V138-L151 HydrophobicContact CB-CD2 4.26Å; V138-L151 HydrophobicContact CB-CG 4.1Å; V138-L151 HydrophobicContact CG1-CD2 4.3Å; V138-L151 HydrophobicContact CG2-CG 4.43Å; V138-L151 PolarHBondContact N-O 3.01Å; V138-V153 HydrophobicContact CG2-CG2 3.9Å
139K89.5Confident80Confident73 Ų7348.1 Ų48.132%0.31726%0.257SS..EExtended strand (participates in β ladder)trans-157.6154.4-170.1-130.7163.8-167.1-168.20113.1Y150 L151 V427K139-Y150 CarbonylContact O-C 3.58Å; K139-Y150 VanDerWaalsContact O-CA 3.23Å; K139-Y150 WeakPolarHBondContact O-CA 3.33Å; K139-L151 PolarHBondContact N-O 2.83Å; K139-L151 PolarHBondContact O-N 3.38Å; K139-V427 HydrophobicContact CD-CG1 3.86Å; K139-V427 WeakPolarHBondContact CE-O 3.43Å
140T91Very high82.3Confident1 Ų141 Ų411%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-74.8130.9166.1-52.30000108.8K148 Y150 F426T140-K148 HydrophobicContact CG2-CD 4.23Å; T140-Y150 HydrophobicContact CG2-CE1 4.48Å; T140-Y150 WeakPolarHBondContact OG1-CE1 3.18Å; T140-F426 WeakPolarHBondContact CB-O 3.27Å; T140-F426 CarbonylContact O-C 3.35Å
141I90.1Very high84.3Confident21 Ų2140.5 Ų40.511%0.10822%0.222CC..EExtended strand (participates in β ladder)trans-122.8-5.9-179.260.1172.5000113.6V149 L151 A162 Y215 T419 I422I141-V149 HydrophobicContact CD1-CG1 3.94Å; I141-V149 HydrophobicContact CG1-CB 4.12Å; I141-V149 HydrophobicContact CG1-CG1 3.81Å; I141-V149 WeakPolarHBondContact CG1-O 3.46Å; I141-V149 PolarHBondContact N-O 2.98Å; I141-L151 HydrophobicContact CD1-CB 4.31Å; I141-L151 HydrophobicContact CG2-CB 3.68Å; I141-A162 HydrophobicContact CD1-CB 4.05Å; I141-Y215 HydrophobicContact CD1-CD2 3.74Å; I141-Y215 HydrophobicContact CD1-CE2 3.68Å; I141-Y215 HydrophobicContact CG2-CE2 4.44Å; I141-T419 HydrophobicContact CG2-CG2 4.3Å; I141-I422 HydrophobicContact CB-CG2 4.16Å; I141-I422 WeakPolarHBondContact O-CG2 3.38Å
142G87Confident85.7Confident11 Ų1140 Ų4011%0.11322%0.218CC..EExtended strand (participates in β ladder)trans-173.5164.7174.900000112.5V149G142-V149 PolarHBondContact N-O 2.98Å; G142-V149 PolarHBondContact O-N 3.33Å
143E83.9Confident86.8Confident123 Ų12340.6 Ų40.658%0.57522%0.222SC*.EExtended strand (participates in β ladder)trans-133.4135.2174.5-173.4158-178.900109.3K148 F426E143-K148 HydrophobicContact CG-CG 4.2Å; E143-K148 WeakPolarHBondContact OE2-CE 3.17Å; E143-K148 IonicContact OE2-NZ 2.91Å; E143-F426 HydrophobicContact CB-CD1 4.37Å; E143-F426 HydrophobicContact CB-CE1 3.99Å
144G77Confident87.6Confident41 Ų4137.9 Ų37.942%0.42321%0.209SC..EExtended strand (participates in β ladder)trans-126.2179.717800000111.4F146 G147G144-F146 PolarHBondContact O-N 3.37Å; G144-G147 PolarHBondContact N-O 3.17Å; G144-G147 PolarHBondContact O-N 2.73Å; G144-G147 VanDerWaalsContact O-O 3.08Å
145N75.9Confident88.1Confident124 Ų12443.7 Ų43.766%0.66323%0.228SC*.THydrogen-bonded Turntrans-55-29.8-172.5-73.9-33.8000115.6
146F81Confident88.1Confident33 Ų3349.3 Ų49.315%0.14525%0.252CS..THydrogen-bonded Turntrans-119.51.1-172.3-49.1-74.5000113.8G144 L166 K167 V171 R174 E176G144-F146 PolarHBondContact O-N 3.37Å; F146-L166 HydrophobicContact CB-CB 4.13Å; F146-L166 HydrophobicContact CB-CD2 4.02Å; F146-L166 HydrophobicContact CB-CG 4.16Å; F146-L166 HydrophobicContact CD2-CD2 4.11Å; F146-L166 HydrophobicContact CG-CD2 4.42Å; F146-K167 PolarHBondContact O-N 3.06Å; F146-V171 HydrophobicContact CB-CG2 3.95Å; F146-V171 HydrophobicContact CD1-CG2 3.97Å; F146-V171 HydrophobicContact CD2-CG2 4.48Å; F146-V171 HydrophobicContact CG-CG2 3.89Å; F146-R174 HydrophobicContact CE1-CB 3.97Å; F146-R174 HydrophobicContact CE1-CG 4.16Å; F146-E176 HydrophobicContact CE1-CB 3.91Å; F146-E176 HydrophobicContact CE1-CG 3.97Å; F146-E176 HydrophobicContact CE2-CB 4.38Å; F146-E176 HydrophobicContact CZ-CB 3.56Å; F146-E176 HydrophobicContact CZ-CG 3.55Å
147G86Confident88.1Confident21 Ų2148.9 Ų48.922%0.21626%0.257CS..EExtended strand (participates in β ladder)trans162.1-156.3-177.600000113.8G144 V165G144-G147 PolarHBondContact N-O 3.17Å; G144-G147 PolarHBondContact O-N 2.73Å; G144-G147 VanDerWaalsContact O-O 3.08Å; G147-V165 CarbonylContact C-O 3.55Å; G147-V165 VanDerWaalsContact CA-O 3.26Å; G147-V165 WeakPolarHBondContact CA-O 3.48Å
148K90.9Very high88.1Confident46 Ų4653.9 Ų53.920%0.228%0.284CS..EExtended strand (participates in β ladder)trans-123.5155.3-165.6-69-171.2172.8-164.50111.8T140 E143 Y150 V165 S429T140-K148 HydrophobicContact CG2-CD 4.23Å; E143-K148 HydrophobicContact CG-CG 4.2Å; E143-K148 WeakPolarHBondContact OE2-CE 3.17Å; E143-K148 IonicContact OE2-NZ 2.91Å; K148-Y150 HydrophobicContact CB-CE1 4.37Å; K148-Y150 HydrophobicContact CB-CE2 3.74Å; K148-V165 PolarHBondContact N-O 3.48Å; K148-V165 VanDerWaalsContact N-O 3.08Å; K148-V165 PolarHBondContact O-N 3.47Å; K148-S429 PolarHBondContact NZ-OG 3.04Å
149V92.9Very high88.3Confident33 Ų3354.8 Ų54.820%0.228%0.284CS..EExtended strand (participates in β ladder)trans-109.9129.3173.5-168.60000108.3I141 G142 A162 I163 K164I141-V149 HydrophobicContact CD1-CG1 3.94Å; I141-V149 HydrophobicContact CG1-CB 4.12Å; I141-V149 HydrophobicContact CG1-CG1 3.81Å; I141-V149 WeakPolarHBondContact CG1-O 3.46Å; I141-V149 PolarHBondContact N-O 2.98Å; G142-V149 PolarHBondContact N-O 2.98Å; G142-V149 PolarHBondContact O-N 3.33Å; V149-A162 HydrophobicContact CG1-CB 4.13Å; V149-I163 CarbonylContact C-O 3.35Å; V149-I163 WeakPolarHBondContact CA-O 3.31Å; V149-K164 HydrophobicContact CG2-CB 4.11Å; V149-K164 HydrophobicContact CG2-CG 4.05Å
150Y93.6Very high88.5Confident10 Ų1051.9 Ų51.94%0.03927%0.273CS..EExtended strand (participates in β ladder)trans-116.7139.4-179.7-56.6-84.9000110.9I137 K139 T140 K148 A162 I163 V165 V431 L435I137-Y150 HydrophobicContact CG2-CD1 4.04Å; I137-Y150 HydrophobicContact CG2-CG 4.05Å; K139-Y150 CarbonylContact O-C 3.58Å; K139-Y150 VanDerWaalsContact O-CA 3.23Å; K139-Y150 WeakPolarHBondContact O-CA 3.33Å; T140-Y150 HydrophobicContact CG2-CE1 4.48Å; T140-Y150 WeakPolarHBondContact OG1-CE1 3.18Å; K148-Y150 HydrophobicContact CB-CE1 4.37Å; K148-Y150 HydrophobicContact CB-CE2 3.74Å; Y150-A162 CarbonylContact O-C 3.47Å; Y150-A162 WeakPolarHBondContact O-CA 3.03Å; Y150-I163 PolarHBondContact N-O 2.65Å; Y150-I163 PolarHBondContact O-N 3.02Å; Y150-V165 HydrophobicContact CD2-CG2 3.71Å; Y150-V165 HydrophobicContact CE2-CB 4.11Å; Y150-V165 HydrophobicContact CE2-CG2 3.7Å; Y150-V431 HydrophobicContact CD1-CG1 4.34Å; Y150-V431 HydrophobicContact CD1-CG2 4.25Å; Y150-V431 HydrophobicContact CE1-CG1 4.27Å; Y150-V431 HydrophobicContact CE1-CG2 4.47Å; Y150-L435 HydrophobicContact CD2-CD1 4.33Å; Y150-L435 HydrophobicContact CE1-CD1 4.19Å; Y150-L435 HydrophobicContact CE2-CD1 3.56Å; Y150-L435 VanDerWaalsContact CZ-CD1 3.47Å; Y150-L435 WeakPolarHBondContact OH-CD1 3.42Å
151L94.2Very high88.7Confident0 Ų052 Ų520%027%0.274CS..EExtended strand (participates in β ladder)trans-71.9129.7160.117260.4000108.3V138 K139 I141 A160 Y215 T417 T419V138-L151 HydrophobicContact CB-CD2 4.26Å; V138-L151 HydrophobicContact CB-CG 4.1Å; V138-L151 HydrophobicContact CG1-CD2 4.3Å; V138-L151 HydrophobicContact CG2-CG 4.43Å; V138-L151 PolarHBondContact N-O 3.01Å; K139-L151 PolarHBondContact N-O 2.83Å; K139-L151 PolarHBondContact O-N 3.38Å; I141-L151 HydrophobicContact CD1-CB 4.31Å; I141-L151 HydrophobicContact CG2-CB 3.68Å; L151-A160 HydrophobicContact CD1-CB 4.07Å; L151-Y215 HydrophobicContact CD1-CD1 3.51Å; L151-Y215 HydrophobicContact CD1-CD2 3.95Å; L151-Y215 HydrophobicContact CD1-CE1 3.63Å; L151-Y215 HydrophobicContact CD1-CE2 4.1Å; L151-Y215 HydrophobicContact CD1-CG 3.67Å; L151-Y215 HydrophobicContact CD2-CE1 4.21Å; L151-T417 HydrophobicContact CD2-CG2 4.42Å; L151-T419 HydrophobicContact CD2-CG2 3.85Å
152A93.5Very high88.9Confident0 Ų051.5 Ų51.50%027%0.273CS..EExtended strand (participates in β ladder)trans-133.8154.3173.900000111.2F135 E136 I137 A160 L161 I163F135-A152 HydrophobicContact CB-CB 4.14Å; E136-A152 CarbonylContact O-C 3.51Å; E136-A152 WeakPolarHBondContact O-CA 3.45Å; I137-A152 HydrophobicContact CD1-CB 3.78Å; A152-A160 CarbonylContact O-C 3.49Å; A152-A160 WeakPolarHBondContact O-CA 3.2Å; A152-L161 PolarHBondContact N-O 2.75Å; A152-L161 PolarHBondContact O-N 2.87Å; A152-I163 HydrophobicContact CB-CD1 3.47Å; A152-I163 VanDerWaalsContact CB-CD1 3.47Å; A152-I163 HydrophobicContact CB-CG1 3.81Å
153V92.7Very high89.3Confident19 Ų1951 Ų5112%0.11527%0.267CS..EExtended strand (participates in β ladder)trans-113.3127.6172.7179.30000108.7F135 E136 V138 R155 N158 Q159 T417F135-V153 WeakPolarHBondContact CA-O 3.2Å; E136-V153 PolarHBondContact N-O 2.79Å; E136-V153 PolarHBondContact O-N 2.79Å; V138-V153 HydrophobicContact CG2-CG2 3.9Å; V153-R155 PolarHBondContact O-N 3.47Å; V153-N158 WeakPolarHBondContact CG1-OD1 3.08Å; V153-Q159 WeakPolarHBondContact CA-O 3.15Å; V153-T417 HydrophobicContact CG2-CG2 3.6Å
154S90.2Very high89.7Confident9 Ų947.1 Ų47.16%0.06325%0.249CC..EExtended strand (participates in β ladder)trans-66.3124.1172.6-179.90000109.9K156 T157 N158 Q159S154-K156 PolarHBondContact O-N 2.66Å; S154-K156 PolarHBondContact OG-N 3.08Å; S154-T157 VanDerWaalsContact CB-OG1 3.29Å; S154-T157 WeakPolarHBondContact CB-OG1 3.24Å; S154-T157 PolarHBondContact OG-N 3.19Å; S154-T157 PolarHBondContact OG-OG1 3.2Å; S154-N158 WeakPolarHBondContact O-CA 3.49Å; S154-N158 PolarHBondContact O-N 3.31Å; S154-Q159 PolarHBondContact N-O 2.93Å
155R87.8Confident90.5Very high152 Ų15245.6 Ų45.657%0.57423%0.231SC*.THydrogen-bonded Turntrans-65.1-23.8175.4-61.6-172.4-176.3-71.2-1.8112.7D133 D134 E136 V153D133-R155 WeakPolarHBondContact O-CD 2.8Å; D133-R155 PolarHBondContact O-NE 3.48Å; D134-R155 PolarHBondContact O-N 3.36Å; E136-R155 IonicContact OE2-CZ 3.58Å; E136-R155 IonicContact OE2-NH1 3.18Å; E136-R155 PolarHBondContact OE2-NH1 3.37Å; E136-R155 IonicContact OE2-NH2 2.74Å; V153-R155 PolarHBondContact O-N 3.47Å
156K85.3Confident91.3Very high132 Ų13239.9 Ų39.957%0.57420%0.2SC*.THydrogen-bonded Turntrans-82.3-43.6-179.1-70.2173.7179.7157.60112.5D134 S154D134-K156 WeakPolarHBondContact OD1-CE 2.93Å; D134-K156 IonicContact OD1-NZ 3.37Å; D134-K156 PolarHBondContact OD1-NZ 3.08Å; D134-K156 IonicContact OD2-NZ 2.77Å; D134-K156 PolarHBondContact OD2-NZ 3.23Å; S154-K156 PolarHBondContact O-N 2.66Å; S154-K156 PolarHBondContact OG-N 3.08Å
157T88.7Confident91.8Very high90 Ų9044.6 Ų44.655%0.55222%0.221SC*.THydrogen-bonded Turntrans-110.9-7.2-172.262.30000113.8S154 Q159S154-T157 VanDerWaalsContact CB-OG1 3.29Å; S154-T157 WeakPolarHBondContact CB-OG1 3.24Å; S154-T157 PolarHBondContact OG-N 3.19Å; S154-T157 PolarHBondContact OG-OG1 3.2Å; T157-Q159 PolarHBondContact O-N 3.48Å; T157-Q159 VanDerWaalsContact O-N 3.14Å; T157-Q159 VanDerWaalsContact OG1-CB 3.26Å; T157-Q159 WeakPolarHBondContact OG1-CB 3.32Å; T157-Q159 PolarHBondContact OG1-N 3.39Å
158N89.7Confident92Very high129 Ų12943.8 Ų43.869%0.6921%0.211SC*.  trans56.120.4-170.4-153.136000113.8V153 S154V153-N158 WeakPolarHBondContact CG1-OD1 3.08Å; S154-N158 WeakPolarHBondContact O-CA 3.49Å; S154-N158 PolarHBondContact O-N 3.31Å
159Q92.7Very high92Very high83 Ų8347 Ų4739%0.38823%0.231SC..  trans-83.8134.2179.7-175.9178.70.700110.7V153 S154 T157 L161V153-Q159 WeakPolarHBondContact CA-O 3.15Å; S154-Q159 PolarHBondContact N-O 2.93Å; T157-Q159 PolarHBondContact O-N 3.48Å; T157-Q159 VanDerWaalsContact O-N 3.14Å; T157-Q159 VanDerWaalsContact OG1-CB 3.26Å; T157-Q159 WeakPolarHBondContact OG1-CB 3.32Å; T157-Q159 PolarHBondContact OG1-N 3.39Å; Q159-L161 HydrophobicContact CG-CD2 4.3Å; Q159-L161 HydrophobicContact CG-CG 4.38Å
160A95Very high92Very high12 Ų1246.8 Ų46.810%0.09923%0.232CC..EExtended strand (participates in β ladder)trans-76.1132.8170.400000111.1L151 A152 Y215 S416 T417L151-A160 HydrophobicContact CD1-CB 4.07Å; A152-A160 CarbonylContact O-C 3.49Å; A152-A160 WeakPolarHBondContact O-CA 3.2Å; A160-Y215 HydrophobicContact CB-CD1 3.85Å; A160-S416 VanDerWaalsContact CB-O 3.22Å; A160-S416 WeakPolarHBondContact CB-O 3.07Å; A160-T417 HydrophobicContact CB-CG2 4.16Å
161L95.2Very high91.9Very high4 Ų446.3 Ų46.32%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-139.2155.2-174.5-65.5167.2000110.1F135 A152 Q159 V212F135-L161 HydrophobicContact CD1-CD1 4.26Å; F135-L161 HydrophobicContact CE1-CD1 3.72Å; A152-L161 PolarHBondContact N-O 2.75Å; A152-L161 PolarHBondContact O-N 2.87Å; Q159-L161 HydrophobicContact CG-CD2 4.3Å; Q159-L161 HydrophobicContact CG-CG 4.38Å; L161-V212 HydrophobicContact CB-CG1 3.96Å; L161-V212 HydrophobicContact CD1-CG1 3.8Å; L161-V212 HydrophobicContact CD2-CG1 4.47Å; L161-V212 HydrophobicContact CG-CG1 4.29Å
162A94.7Very high91.8Very high9 Ų950 Ų507%0.07425%0.246CC..EExtended strand (participates in β ladder)trans-102.6122.9173.400000109.7I141 V149 Y150 L213I141-A162 HydrophobicContact CD1-CB 4.05Å; V149-A162 HydrophobicContact CG1-CB 4.13Å; Y150-A162 CarbonylContact O-C 3.47Å; Y150-A162 WeakPolarHBondContact O-CA 3.03Å; A162-L213 HydrophobicContact CB-CB 4.34Å; A162-L213 PolarHBondContact N-O 3.36Å; A162-L213 PolarHBondContact O-N 3.36Å
163I93.8Very high91.6Very high0 Ų057.9 Ų57.90%028%0.283CS..EExtended strand (participates in β ladder)trans-106.4105.7177.7-55.4-173.6000109L132 F135 I137 V149 Y150 A152 V165 Y210 F211 V212L132-I163 HydrophobicContact CD2-CD1 4.39Å; F135-I163 HydrophobicContact CB-CD1 4.01Å; F135-I163 HydrophobicContact CD1-CD1 4.34Å; F135-I163 HydrophobicContact CD2-CD1 4.28Å; F135-I163 HydrophobicContact CG-CD1 3.9Å; I137-I163 HydrophobicContact CD1-CD1 3.75Å; V149-I163 CarbonylContact C-O 3.35Å; V149-I163 WeakPolarHBondContact CA-O 3.31Å; Y150-I163 PolarHBondContact N-O 2.65Å; Y150-I163 PolarHBondContact O-N 3.02Å; A152-I163 HydrophobicContact CB-CD1 3.47Å; A152-I163 VanDerWaalsContact CB-CD1 3.47Å; A152-I163 HydrophobicContact CB-CG1 3.81Å; I163-V165 HydrophobicContact CG2-CG2 3.89Å; I163-Y210 HydrophobicContact CG2-CD1 4.23Å; I163-F211 CarbonylContact C-O 3.59Å; I163-F211 VanDerWaalsContact CA-O 3.3Å; I163-F211 WeakPolarHBondContact CA-O 3.23Å; I163-V212 HydrophobicContact CD1-CG2 4.37Å; I163-V212 HydrophobicContact CG1-CG1 4.31Å; I163-V212 HydrophobicContact CG1-CG2 4.09Å; I163-V212 HydrophobicContact CG2-CG2 4.48Å
164K93.3Very high91.4Very high42 Ų4264 Ų6418%0.18330%0.304CS..EExtended strand (participates in β ladder)trans-87.7116.6173.5-180-178.8178.6-179.20108.8V149 L166 E183 Y210 F211 L213V149-K164 HydrophobicContact CG2-CB 4.11Å; V149-K164 HydrophobicContact CG2-CG 4.05Å; K164-L166 HydrophobicContact CD-CD1 4.33Å; K164-L166 HydrophobicContact CG-CD1 3.82Å; K164-E183 IonicContact NZ-OE1 3.73Å; K164-E183 PolarHBondContact NZ-OE1 3.38Å; K164-E183 IonicContact NZ-OE2 3.97Å; K164-E183 PolarHBondContact NZ-OE2 3.09Å; K164-Y210 WeakPolarHBondContact O-CA 3.42Å; K164-F211 HydrophobicContact CB-CB 4.22Å; K164-F211 HydrophobicContact CD-CD2 4.48Å; K164-F211 PolarHBondContact N-O 3.43Å; K164-F211 PolarHBondContact O-N 2.83Å; K164-L213 HydrophobicContact CB-CD1 4.37Å
165V92.6Very high91.3Very high9 Ų972.4 Ų72.46%0.05534%0.34CS..EExtended strand (participates in β ladder)trans-110.2120.8-176.2-1730000109.4G147 K148 Y150 I163 K208 L209 Y210 L435G147-V165 CarbonylContact C-O 3.55Å; G147-V165 VanDerWaalsContact CA-O 3.26Å; G147-V165 WeakPolarHBondContact CA-O 3.48Å; K148-V165 PolarHBondContact N-O 3.48Å; K148-V165 VanDerWaalsContact N-O 3.08Å; K148-V165 PolarHBondContact O-N 3.47Å; Y150-V165 HydrophobicContact CD2-CG2 3.71Å; Y150-V165 HydrophobicContact CE2-CB 4.11Å; Y150-V165 HydrophobicContact CE2-CG2 3.7Å; I163-V165 HydrophobicContact CG2-CG2 3.89Å; V165-K208 HydrophobicContact CG1-CB 4.18Å; V165-K208 HydrophobicContact CG1-CD 3.82Å; V165-K208 HydrophobicContact CG1-CG 4.27Å; V165-L209 CarbonylContact C-O 3.55Å; V165-L209 WeakPolarHBondContact CA-O 3.37Å; V165-Y210 HydrophobicContact CB-CD1 4.34Å; V165-Y210 HydrophobicContact CB-CE1 4.33Å; V165-Y210 HydrophobicContact CG1-CD1 4.02Å; V165-Y210 HydrophobicContact CG1-CE1 3.61Å; V165-Y210 HydrophobicContact CG2-CD1 3.73Å; V165-Y210 HydrophobicContact CG2-CE1 3.85Å; V165-L435 HydrophobicContact CG2-CD2 4.3Å
166L93.1Very high91.4Very high4 Ų468 Ų682%0.02133%0.326CS..EExtended strand (participates in β ladder)trans-114.3140.8178.3-59.378.4000110.2F146 K164 V171 V180 K208 L209 F211F146-L166 HydrophobicContact CB-CB 4.13Å; F146-L166 HydrophobicContact CB-CD2 4.02Å; F146-L166 HydrophobicContact CB-CG 4.16Å; F146-L166 HydrophobicContact CD2-CD2 4.11Å; F146-L166 HydrophobicContact CG-CD2 4.42Å; K164-L166 HydrophobicContact CD-CD1 4.33Å; K164-L166 HydrophobicContact CG-CD1 3.82Å; L166-V171 HydrophobicContact CB-CG2 4.25Å; L166-V171 HydrophobicContact CD2-CG2 4.18Å; L166-V180 HydrophobicContact CD2-CG1 4.28Å; L166-V180 HydrophobicContact CD2-CG2 3.86Å; L166-K208 CarbonylContact O-C 3.53Å; L166-K208 WeakPolarHBondContact O-CA 3.31Å; L166-K208 WeakPolarHBondContact O-CB 3.41Å; L166-L209 HydrophobicContact CB-CB 4.31Å; L166-L209 PolarHBondContact N-O 3.39Å; L166-L209 PolarHBondContact O-N 2.95Å; L166-F211 HydrophobicContact CD1-CD2 3.64Å; L166-F211 HydrophobicContact CD1-CE2 3.66Å
167K91.7Very high91.7Very high133 Ų13362.9 Ų62.958%0.57831%0.305SS*.EExtended strand (participates in β ladder)trans-82.6123.6172.7-64.7-179.7-178.91790110.3F146 D169 A170 V171F146-K167 PolarHBondContact O-N 3.06Å; K167-D169 VanDerWaalsContact C-N 3.32Å; K167-D169 PolarHBondContact O-N 3.07Å; K167-A170 HydrophobicContact CB-CB 4.02Å; K167-A170 PolarHBondContact O-N 3.13Å; K167-V171 WeakPolarHBondContact O-CG2 3.44Å; K167-V171 PolarHBondContact O-N 3.31Å; K167-V171 VanDerWaalsContact O-N 3.11Å
168K91.5Very high91.6Very high3 Ų365 Ų651%0.01331%0.313CS..Hα-helixtrans-58.2-43.6-178.8-75.7-178.9166.4-176.50112.4A170 V171 K172 S205 T207 L209 D449 F452K168-A170 VanDerWaalsContact C-N 3.31Å; K168-A170 PolarHBondContact O-N 3.01Å; K168-V171 PolarHBondContact O-N 2.71Å; K168-K172 WeakPolarHBondContact O-CG 3.5Å; K168-K172 PolarHBondContact O-N 2.9Å; K168-S205 VanDerWaalsContact CE-O 3.24Å; K168-S205 WeakPolarHBondContact CE-O 3.47Å; K168-S205 PolarHBondContact NZ-O 3.47Å; K168-T207 WeakPolarHBondContact CB-O 3.24Å; K168-T207 PolarHBondContact N-O 3.42Å; K168-L209 HydrophobicContact CD-CD2 4.45Å; K168-L209 VanDerWaalsContact CE-CD2 3.44Å; K168-L209 HydrophobicContact CG-CD2 4.17Å; K168-L209 HydrophobicContact CG-CG 3.96Å; K168-D449 HydrophobicContact CD-CB 4.39Å; K168-F452 HydrophobicContact CB-CE2 3.8Å; K168-F452 HydrophobicContact CB-CZ 4.4Å; K168-F452 HydrophobicContact CD-CD2 3.9Å; K168-F452 HydrophobicContact CD-CE2 3.98Å; K168-F452 HydrophobicContact CG-CD2 3.95Å; K168-F452 HydrophobicContact CG-CE2 3.61Å; K168-F452 HydrophobicContact CG-CZ 4.29Å
169D90.8Very high91.5Very high115 Ų11562.2 Ų62.262%0.61530%0.298SS*.Hα-helixtrans-61.7-40.4179.6-63.5-23.8000111.9K167 K172 Q173K167-D169 VanDerWaalsContact C-N 3.32Å; K167-D169 PolarHBondContact O-N 3.07Å; D169-K172 PolarHBondContact O-N 2.66Å; D169-Q173 VanDerWaalsContact O-CB 3.23Å; D169-Q173 WeakPolarHBondContact O-CB 3.46Å; D169-Q173 PolarHBondContact O-N 3.43Å
170A91.2Very high91.4Very high27 Ų2758.4 Ų58.422%0.22328%0.281CS..Hα-helixtrans-65.5-41.3176.900000111.9K167 K168 R174K167-A170 HydrophobicContact CB-CB 4.02Å; K167-A170 PolarHBondContact O-N 3.13Å; K168-A170 VanDerWaalsContact C-N 3.31Å; K168-A170 PolarHBondContact O-N 3.01Å; A170-R174 PolarHBondContact O-N 2.9Å
171V91.7Very high91.2Very high0 Ų059.2 Ų59.20%028%0.283CS..Hα-helixtrans-63.6-45.8176.3175.40000110.9F146 L166 K167 K168 R174 K175 E176 V177 V180 F452F146-V171 HydrophobicContact CB-CG2 3.95Å; F146-V171 HydrophobicContact CD1-CG2 3.97Å; F146-V171 HydrophobicContact CD2-CG2 4.48Å; F146-V171 HydrophobicContact CG-CG2 3.89Å; L166-V171 HydrophobicContact CB-CG2 4.25Å; L166-V171 HydrophobicContact CD2-CG2 4.18Å; K167-V171 WeakPolarHBondContact O-CG2 3.44Å; K167-V171 PolarHBondContact O-N 3.31Å; K167-V171 VanDerWaalsContact O-N 3.11Å; K168-V171 PolarHBondContact O-N 2.71Å; V171-R174 PolarHBondContact O-N 3.21Å; V171-K175 PolarHBondContact O-N 3.17Å; V171-E176 HydrophobicContact CG1-CB 4.26Å; V171-E176 PolarHBondContact O-N 2.87Å; V171-V177 HydrophobicContact CG1-CG2 4.12Å; V171-V180 HydrophobicContact CG1-CB 4.42Å; V171-V180 HydrophobicContact CG1-CG2 3.8Å; V171-V180 HydrophobicContact CG2-CG2 4.13Å; V171-F452 HydrophobicContact CB-CE1 4.5Å; V171-F452 HydrophobicContact CB-CZ 4.11Å; V171-F452 HydrophobicContact CG1-CE1 3.84Å; V171-F452 HydrophobicContact CG1-CZ 3.85Å
172K91.8Very high90.8Very high77 Ų7760.4 Ų60.434%0.33529%0.291SS..Hα-helixtrans-63.4-46.5177.6-74.8178.1171-1790112.1K168 D169 R174 K175 V177 D449 T451 F452K168-K172 WeakPolarHBondContact O-CG 3.5Å; K168-K172 PolarHBondContact O-N 2.9Å; D169-K172 PolarHBondContact O-N 2.66Å; K172-R174 PolarHBondContact O-N 3.27Å; K172-K175 PolarHBondContact O-N 3.04Å; K172-V177 HydrophobicContact CG-CG2 4.2Å; K172-D449 WeakPolarHBondContact CE-OD1 3.48Å; K172-D449 WeakPolarHBondContact CE-OD2 3.37Å; K172-D449 IonicContact NZ-OD1 3.46Å; K172-D449 PolarHBondContact NZ-OD1 3.06Å; K172-D449 IonicContact NZ-OD2 3.46Å; K172-D449 PolarHBondContact NZ-OD2 3.42Å; K172-T451 WeakPolarHBondContact CE-OG1 3.37Å; K172-F452 HydrophobicContact CD-CE2 4.47Å; K172-F452 HydrophobicContact CG-CE2 4.21Å; K172-F452 HydrophobicContact CG-CZ 4.19Å
173Q90.5Very high90.7Very high166 Ų16660.5 Ų60.578%0.77629%0.291SS*.Hα-helixtrans-59.9-36.2-178.6-171.6-179.424.300111.9D169 K175D169-Q173 VanDerWaalsContact O-CB 3.23Å; D169-Q173 WeakPolarHBondContact O-CB 3.46Å; D169-Q173 PolarHBondContact O-N 3.43Å; Q173-K175 VanDerWaalsContact C-N 3.34Å
174R88.2Confident90.6Very high148 Ų14861.4 Ų61.456%0.55829%0.294SS*.THydrogen-bonded Turntrans-85.5-1.8176.2-62.5-157.4-174.4-175.11.2114.3F146 A170 V171 K172 E176F146-R174 HydrophobicContact CE1-CB 3.97Å; F146-R174 HydrophobicContact CE1-CG 4.16Å; A170-R174 PolarHBondContact O-N 2.9Å; V171-R174 PolarHBondContact O-N 3.21Å; K172-R174 PolarHBondContact O-N 3.27Å; R174-E176 VanDerWaalsContact C-N 3.33Å; R174-E176 HydrophobicContact CB-CB 4.44Å; R174-E176 HydrophobicContact CB-CG 3.79Å
175K88.9Confident90.4Very high186 Ų18660.7 Ų60.781%0.80929%0.292SS*.THydrogen-bonded Turntrans59.839.5-176.5-53.7-179.6179.9-179.80113.3V171 K172 Q173V171-K175 PolarHBondContact O-N 3.17Å; K172-K175 PolarHBondContact O-N 3.04Å; Q173-K175 VanDerWaalsContact C-N 3.34Å
176E89.1Confident90.2Very high60 Ų6060.3 Ų60.328%0.2829%0.29SS..  trans-107.213.9-171.7-73.1-83.9168.500112.7F146 V171 R174 D178 N179 V180F146-E176 HydrophobicContact CE1-CB 3.91Å; F146-E176 HydrophobicContact CE1-CG 3.97Å; F146-E176 HydrophobicContact CE2-CB 4.38Å; F146-E176 HydrophobicContact CZ-CB 3.56Å; F146-E176 HydrophobicContact CZ-CG 3.55Å; V171-E176 HydrophobicContact CG1-CB 4.26Å; V171-E176 PolarHBondContact O-N 2.87Å; R174-E176 VanDerWaalsContact C-N 3.33Å; R174-E176 HydrophobicContact CB-CB 4.44Å; R174-E176 HydrophobicContact CB-CG 3.79Å; E176-D178 PolarHBondContact O-N 2.94Å; E176-N179 PolarHBondContact O-N 3.12Å; E176-N179 WeakPolarHBondContact OE2-CB 3.4Å; E176-N179 PolarHBondContact OE2-ND2 3.24Å; E176-V180 WeakPolarHBondContact O-CG2 3.4Å; E176-V180 PolarHBondContact O-N 2.85Å
177V91Very high90Very high24 Ų2460.2 Ų60.215%0.14529%0.289CS..Hα-helixtrans-56.5-48.6-179.6176.20000111.1V171 K172 N179 V180 M181 T451 F452V171-V177 HydrophobicContact CG1-CG2 4.12Å; K172-V177 HydrophobicContact CG-CG2 4.2Å; V177-N179 VanDerWaalsContact C-N 3.29Å; V177-N179 PolarHBondContact O-N 3.45Å; V177-V180 PolarHBondContact O-N 3.26Å; V177-M181 HydrophobicContact CG1-CG 4.4Å; V177-M181 WeakPolarHBondContact O-CB 3.44Å; V177-M181 VanDerWaalsContact O-CG 3.32Å; V177-M181 WeakPolarHBondContact O-CG 3.41Å; V177-M181 PolarHBondContact O-N 3.09Å; V177-T451 HydrophobicContact CB-CG2 4.35Å; V177-T451 HydrophobicContact CG1-CG2 3.72Å; V177-T451 HydrophobicContact CG2-CG2 3.76Å; V177-F452 HydrophobicContact CB-CE1 4.23Å; V177-F452 HydrophobicContact CG1-CD1 4.1Å; V177-F452 HydrophobicContact CG1-CE1 3.86Å; V177-F452 HydrophobicContact CG2-CE1 3.95Å; V177-F452 HydrophobicContact CG2-CZ 3.93Å
178D87.8Confident89.8Confident134 Ų13455.6 Ų55.672%0.71727%0.272SS*.Hα-helixtrans-62.9-36.9-178.6-70.6-27.7000112.1E176 M181 S182E176-D178 PolarHBondContact O-N 2.94Å; D178-M181 PolarHBondContact O-N 3.47Å; D178-S182 WeakPolarHBondContact O-CB 3.45Å; D178-S182 PolarHBondContact O-N 2.79Å
179N86.4Confident89.4Confident70 Ų7058.2 Ų58.237%0.37428%0.283SS..Hα-helixtrans-69.6-43.6178.9-69.5-19.6000111E176 V177 M181 S182 E183E176-N179 PolarHBondContact O-N 3.12Å; E176-N179 WeakPolarHBondContact OE2-CB 3.4Å; E176-N179 PolarHBondContact OE2-ND2 3.24Å; V177-N179 VanDerWaalsContact C-N 3.29Å; V177-N179 PolarHBondContact O-N 3.45Å; N179-M181 VanDerWaalsContact C-N 3.35Å; N179-M181 PolarHBondContact O-N 2.98Å; N179-S182 WeakPolarHBondContact O-CB 3.05Å; N179-S182 PolarHBondContact O-N 3.47Å; N179-E183 WeakPolarHBondContact O-CB 3.31Å; N179-E183 PolarHBondContact O-N 2.91Å
180V91.3Very high88.8Confident3 Ų352.7 Ų52.72%0.01825%0.254CS..Hα-helixtrans-62.8-41.4174.9173.60000111.6L166 V171 E176 V177 E183 R184 L209 F211 F455L166-V180 HydrophobicContact CD2-CG1 4.28Å; L166-V180 HydrophobicContact CD2-CG2 3.86Å; V171-V180 HydrophobicContact CG1-CB 4.42Å; V171-V180 HydrophobicContact CG1-CG2 3.8Å; V171-V180 HydrophobicContact CG2-CG2 4.13Å; E176-V180 WeakPolarHBondContact O-CG2 3.4Å; E176-V180 PolarHBondContact O-N 2.85Å; V177-V180 PolarHBondContact O-N 3.26Å; V180-E183 PolarHBondContact O-N 3.25Å; V180-R184 PolarHBondContact O-N 2.69Å; V180-L209 HydrophobicContact CG1-CD1 3.69Å; V180-F211 HydrophobicContact CG1-CE2 4.23Å; V180-F211 HydrophobicContact CG1-CZ 4.14Å; V180-F455 HydrophobicContact CG1-CD2 4.49Å; V180-F455 HydrophobicContact CG1-CE2 4Å
181M90.2Very high87.9Confident29 Ų2953.3 Ų53.314%0.14325%0.253CS..Hα-helixtrans-68.1-36.8176.2-69-61.2-68.800111.9V177 D178 N179 R184 N185 F452 S453 F455V177-M181 HydrophobicContact CG1-CG 4.4Å; V177-M181 WeakPolarHBondContact O-CB 3.44Å; V177-M181 VanDerWaalsContact O-CG 3.32Å; V177-M181 WeakPolarHBondContact O-CG 3.41Å; V177-M181 PolarHBondContact O-N 3.09Å; D178-M181 PolarHBondContact O-N 3.47Å; N179-M181 VanDerWaalsContact C-N 3.35Å; N179-M181 PolarHBondContact O-N 2.98Å; M181-R184 PolarHBondContact O-N 2.61Å; M181-N185 PolarHBondContact O-N 2.77Å; M181-N185 PolarHBondContact O-ND2 3.12Å; M181-F452 HydrophobicContact SD-CD1 4.46Å; M181-S453 WeakPolarHBondContact CE-O 3.34Å; M181-F455 HydrophobicContact CE-CB 4.5Å; M181-F455 HydrophobicContact SD-CB 3.98Å; M181-F455 HydrophobicContact SD-CD2 3.96Å; M181-F455 HydrophobicContact SD-CG 4.5Å
182S88.2Confident87.4Confident29 Ų2959.8 Ų59.820%0.20329%0.288CS..Hα-helixtrans-64.3-47.5173.7-173.10000111.6D178 N179 R184 N185 V186D178-S182 WeakPolarHBondContact O-CB 3.45Å; D178-S182 PolarHBondContact O-N 2.79Å; N179-S182 WeakPolarHBondContact O-CB 3.05Å; N179-S182 PolarHBondContact O-N 3.47Å; S182-R184 VanDerWaalsContact C-N 3.31Å; S182-R184 PolarHBondContact O-N 3.01Å; S182-N185 PolarHBondContact O-N 3.17Å; S182-N185 VanDerWaalsContact O-N 3.09Å; S182-V186 WeakPolarHBondContact O-CG2 3.24Å; S182-V186 PolarHBondContact O-N 3.47Å
183E91.3Very high87.4Confident12 Ų1256.5 Ų56.56%0.05627%0.274CS..Hα-helixtrans-53.9-49.3174.6-176.2-176.3176.900110.3K164 N179 V180 N185 V186 L187 F278K164-E183 IonicContact NZ-OE1 3.73Å; K164-E183 PolarHBondContact NZ-OE1 3.38Å; K164-E183 IonicContact NZ-OE2 3.97Å; K164-E183 PolarHBondContact NZ-OE2 3.09Å; N179-E183 WeakPolarHBondContact O-CB 3.31Å; N179-E183 PolarHBondContact O-N 2.91Å; V180-E183 PolarHBondContact O-N 3.25Å; E183-N185 VanDerWaalsContact C-N 3.33Å; E183-N185 PolarHBondContact O-N 2.99Å; E183-V186 PolarHBondContact O-N 3.25Å; E183-L187 HydrophobicContact CG-CD1 4.11Å; E183-L187 WeakPolarHBondContact O-CB 3.36Å; E183-L187 WeakPolarHBondContact O-CG 3.5Å; E183-L187 PolarHBondContact O-N 2.94Å; E183-F278 HydrophobicContact CG-CB 4.15Å
184R91.5Very high87.7Confident18 Ų1850 Ų507%0.06825%0.246CC..Hα-helixtrans-57.9-43.4176.2-175-93.6160.9-167.41112.6V180 M181 S182 L187 V188 F211 F455 Y457V180-R184 PolarHBondContact O-N 2.69Å; M181-R184 PolarHBondContact O-N 2.61Å; S182-R184 VanDerWaalsContact C-N 3.31Å; S182-R184 PolarHBondContact O-N 3.01Å; R184-L187 PolarHBondContact O-N 3.04Å; R184-V188 VanDerWaalsContact O-CG2 3.31Å; R184-V188 WeakPolarHBondContact O-CG2 3.47Å; R184-V188 PolarHBondContact O-N 3.27Å; R184-F211 HydrophobicContact CB-CE1 3.59Å; R184-F211 HydrophobicContact CB-CZ 3.99Å; R184-F211 HydrophobicContact CG-CE1 3.97Å; R184-F455 HydrophobicContact CB-CD2 4.43Å; R184-F455 HydrophobicContact CB-CE2 4.32Å; R184-F455 HydrophobicContact CG-CD2 4.32Å; R184-F455 HydrophobicContact CG-CE2 4.36Å; R184-F455 PolarHBondContact NE-O 2.79Å; R184-Y457 VanDerWaalsContact NH2-CG 3.33Å
185N89.2Confident88.1Confident28 Ų2843 Ų4315%0.1522%0.22CC..Hα-helixtrans-69.6-36.8-178.4-68.4-27.8000112.6H11 M181 S182 E183 V188 K189H11-N185 PolarHBondContact CE1-ND2 2.9Å; M181-N185 PolarHBondContact O-N 2.77Å; M181-N185 PolarHBondContact O-ND2 3.12Å; S182-N185 PolarHBondContact O-N 3.17Å; S182-N185 VanDerWaalsContact O-N 3.09Å; E183-N185 VanDerWaalsContact C-N 3.33Å; E183-N185 PolarHBondContact O-N 2.99Å; N185-V188 PolarHBondContact O-N 3.36Å; N185-K189 PolarHBondContact O-N 3.35Å
186V88.6Confident88.5Confident0 Ų034.2 Ų34.20%018%0.182CC..Hα-helixtrans-63.8-48.7173.61680000110.3S182 E183 V188 K189 S190 L250 I255 F278 C281S182-V186 WeakPolarHBondContact O-CG2 3.24Å; S182-V186 PolarHBondContact O-N 3.47Å; E183-V186 PolarHBondContact O-N 3.25Å; V186-V188 PolarHBondContact O-N 2.81Å; V186-K189 WeakPolarHBondContact O-CA 2.88Å; V186-K189 WeakPolarHBondContact O-CB 3.32Å; V186-K189 PolarHBondContact O-N 3.02Å; V186-S190 PolarHBondContact O-N 2.65Å; V186-S190 PolarHBondContact O-OG 2.94Å; V186-S190 VanDerWaalsContact O-OG 3.07Å; V186-L250 HydrophobicContact CG1-CD2 4.49Å; V186-I255 HydrophobicContact CB-CD1 4.41Å; V186-I255 HydrophobicContact CG1-CD1 4.16Å; V186-I255 HydrophobicContact CG1-CG2 4.24Å; V186-I255 HydrophobicContact CG2-CD1 4.02Å; V186-I255 HydrophobicContact CG2-CG1 4.32Å; V186-I255 HydrophobicContact CG2-CG2 4.07Å; V186-F278 HydrophobicContact CB-CB 4.42Å; V186-F278 HydrophobicContact CG1-CB 3.88Å; V186-F278 HydrophobicContact CG1-CD1 3.6Å; V186-F278 HydrophobicContact CG1-CE1 4.4Å; V186-F278 HydrophobicContact CG1-CG 3.89Å; V186-C281 HydrophobicContact CB-CB 4.43Å; V186-C281 HydrophobicContact CG1-CB 4.16Å; V186-C281 HydrophobicContact CG2-CB 3.82Å
187L90.1Very high88.8Confident2 Ų231.7 Ų31.71%0.0117%0.17CC..Hα-helixtrans-55.2-36.5178.2-85.5169.7000113.5E183 R184 K189 S190 L199 F211 L213 F278E183-L187 HydrophobicContact CG-CD1 4.11Å; E183-L187 WeakPolarHBondContact O-CB 3.36Å; E183-L187 WeakPolarHBondContact O-CG 3.5Å; E183-L187 PolarHBondContact O-N 2.94Å; R184-L187 PolarHBondContact O-N 3.04Å; L187-K189 VanDerWaalsContact C-N 3.35Å; L187-S190 PolarHBondContact O-N 3.29Å; L187-L199 HydrophobicContact CB-CB 3.88Å; L187-L199 HydrophobicContact CB-CD2 3.99Å; L187-L199 HydrophobicContact CB-CG 4.48Å; L187-L199 HydrophobicContact CD2-CB 4.38Å; L187-F211 HydrophobicContact CD1-CD1 3.74Å; L187-F211 HydrophobicContact CD1-CE1 3.82Å; L187-L213 HydrophobicContact CD1-CD2 3.97Å; L187-L213 HydrophobicContact CD2-CD2 3.85Å; L187-F278 HydrophobicContact CD2-CD2 3.43Å; L187-F278 VanDerWaalsContact CD2-CD2 3.43Å; L187-F278 HydrophobicContact CD2-CE2 3.58Å; L187-F278 HydrophobicContact CD2-CG 4.46Å; L187-F278 HydrophobicContact CG-CD2 3.87Å; L187-F278 HydrophobicContact CG-CE2 4.46Å
188V86.3Confident88.8Confident36 Ų3634.5 Ų34.522%0.21818%0.181CC..Hα-helixtrans-70.1-29.5175.3173.30000112.8R184 N185 V186 L191 L199 Y457R184-V188 VanDerWaalsContact O-CG2 3.31Å; R184-V188 WeakPolarHBondContact O-CG2 3.47Å; R184-V188 PolarHBondContact O-N 3.27Å; N185-V188 PolarHBondContact O-N 3.36Å; V186-V188 PolarHBondContact O-N 2.81Å; V188-L191 WeakPolarHBondContact O-CD1 3.39Å; V188-L191 VanDerWaalsContact O-CG 3.23Å; V188-L191 WeakPolarHBondContact O-CG 3.48Å; V188-L199 HydrophobicContact CG2-CD2 3.75Å; V188-Y457 HydrophobicContact CG1-CE2 4.09Å; V188-Y457 HydrophobicContact CG2-CD1 3.91Å; V188-Y457 HydrophobicContact CG2-CD2 4.19Å; V188-Y457 HydrophobicContact CG2-CE1 4.13Å; V188-Y457 HydrophobicContact CG2-CE2 4.39Å; V188-Y457 HydrophobicContact CG2-CG 3.96Å
189K82.9Confident89Confident58 Ų5828.1 Ų28.125%0.25215%0.147SC..Hα-helixtrans-79.7-24.7174.9-71.8171.8153.9-113.10112.6N185 V186 L187 L191 Y249 E253 I255 Q283N185-K189 PolarHBondContact O-N 3.35Å; V186-K189 WeakPolarHBondContact O-CA 2.88Å; V186-K189 WeakPolarHBondContact O-CB 3.32Å; V186-K189 PolarHBondContact O-N 3.02Å; L187-K189 VanDerWaalsContact C-N 3.35Å; K189-L191 VanDerWaalsContact C-N 3.25Å; K189-L191 PolarHBondContact O-N 3.42Å; K189-Y249 WeakPolarHBondContact O-CE1 3.32Å; K189-Y249 PolarHBondContact O-OH 3.2Å; K189-E253 PolarHBondContact NZ-O 2.79Å; K189-E253 IonicContact NZ-OE2 3.92Å; K189-E253 PolarHBondContact NZ-OE2 2.73Å; K189-I255 HydrophobicContact CB-CD1 4.33Å; K189-I255 HydrophobicContact CD-CD1 3.81Å; K189-Q283 VanDerWaalsContact CE-NE2 3.34Å
190S78.2Confident89.1Confident0 Ų027 Ų270%014%0.139CC..G310 helixtrans-77.3-0.8-177.5-60.90000114.9V186 L187 N192 H193V186-S190 PolarHBondContact O-N 2.65Å; V186-S190 PolarHBondContact O-OG 2.94Å; V186-S190 VanDerWaalsContact O-OG 3.07Å; L187-S190 PolarHBondContact O-N 3.29Å; S190-N192 PolarHBondContact O-N 3.41Å; S190-N192 VanDerWaalsContact O-N 3.13Å; S190-H193 PolarHBondContact O-N 3.14Å
191L73Confident88.9Confident39 Ų3928.2 Ų28.220%0.20414%0.144CC..G310 helixtrans-61.4-26.8-169.5-63.8172.1000115V188 K189 K198 L199 Y457V188-L191 WeakPolarHBondContact O-CD1 3.39Å; V188-L191 VanDerWaalsContact O-CG 3.23Å; V188-L191 WeakPolarHBondContact O-CG 3.48Å; K189-L191 VanDerWaalsContact C-N 3.25Å; K189-L191 PolarHBondContact O-N 3.42Å; L191-K198 WeakPolarHBondContact O-CE 3.45Å; L191-L199 HydrophobicContact CD2-CB 4.36Å; L191-L199 WeakPolarHBondContact CD2-O 3.47Å; L191-Y457 HydrophobicContact CD1-CE1 4.23Å; L191-Y457 WeakPolarHBondContact CD1-OH 3.45Å
192N80.1Confident88.9Confident136 Ų13626.8 Ų26.873%0.72714%0.137SC*.G310 helixtrans-97.71.9-170.3-64.2-33.1000114.3S190S190-N192 PolarHBondContact O-N 3.41Å; S190-N192 VanDerWaalsContact O-N 3.13Å
193H93.2Very high88.8Confident9 Ų925.5 Ų25.54%0.04213%0.128CC..  trans-106.8132-177.9-163.8-91.7000112.1S190 F195 L196 S245 A246 Y249S190-H193 PolarHBondContact O-N 3.14Å; H193-F195 VanDerWaalsContact C-N 3.25Å; H193-F195 AromaticContact CE1-CD2 3.57Å; H193-F195 PolarHBondContact ND1-N 2.74Å; H193-F195 PolarHBondContact O-N 3.48Å; H193-L196 HydrophobicContact CB-CB 4.28Å; H193-L196 HydrophobicContact CB-CD1 3.76Å; H193-L196 HydrophobicContact CB-CG 3.93Å; H193-L196 PolarHBondContact O-N 2.98Å; H193-S245 PolarHBondContact NE2-O 2.96Å; H193-S245 PolarHBondContact NE2-OG 3.39Å; H193-A246 WeakPolarHBondContact CE1-CA 3.44Å; H193-A246 PolarHBondContact CE1-N 2.81Å; H193-Y249 HydrophobicContact CB-CD1 3.96Å; H193-Y249 HydrophobicContact CB-CD2 4.33Å; H193-Y249 HydrophobicContact CB-CE1 4.22Å; H193-Y249 HydrophobicContact CB-CG 4.01Å; H193-Y249 AromaticContact CD2-CD2 3.96Å; H193-Y249 AromaticContact CD2-CG 3.73Å
194P95.7Very high88.6Confident30 Ų3025 Ų2520%0.19513%0.125CC..THydrogen-bonded Turntrans-69.7-17.3-17427.6-37.3000115I274 L401 R403P194-I274 WeakPolarHBondContact O-CD1 3.38Å; P194-L401 HydrophobicContact CG-CD2 3.97Å; P194-L401 WeakPolarHBondContact CG-O 3.39Å; P194-R403 HydrophobicContact CB-CG 4Å
195F97.7Very high88.1Confident1 Ų124.3 Ų24.30%0.00412%0.123CC..THydrogen-bonded Turntrans-113.316.8-176.5-48.1-44.4000113.2H193 Q242 A246 Y272 I274 L275 L400 L401 R403H193-F195 VanDerWaalsContact C-N 3.25Å; H193-F195 AromaticContact CE1-CD2 3.57Å; H193-F195 PolarHBondContact ND1-N 2.74Å; H193-F195 PolarHBondContact O-N 3.48Å; F195-Q242 HydrophobicContact CB-CB 4.36Å; F195-Q242 HydrophobicContact CD1-CB 4.18Å; F195-Q242 HydrophobicContact CD1-CG 4.09Å; F195-Q242 HydrophobicContact CD2-CB 3.73Å; F195-Q242 HydrophobicContact CD2-CG 3.99Å; F195-Q242 HydrophobicContact CE1-CB 4.49Å; F195-Q242 HydrophobicContact CE1-CG 3.94Å; F195-Q242 HydrophobicContact CE2-CB 4.06Å; F195-Q242 HydrophobicContact CE2-CG 3.81Å; F195-Q242 HydrophobicContact CG-CB 3.81Å; F195-Q242 HydrophobicContact CG-CG 4.15Å; F195-Q242 HydrophobicContact CZ-CB 4.42Å; F195-Q242 HydrophobicContact CZ-CG 3.77Å; F195-A246 HydrophobicContact CB-CB 4.16Å; F195-Y272 HydrophobicContact CD1-CD1 4.31Å; F195-Y272 AromaticContact CE1-CD1 3.46Å; F195-Y272 HydrophobicContact CE1-CD1 3.46Å; F195-Y272 VanDerWaalsContact CE1-CD1 3.46Å; F195-Y272 HydrophobicContact CE1-CE1 4.02Å; F195-Y272 HydrophobicContact CE1-CG 4.41Å; F195-Y272 HydrophobicContact CZ-CD1 4.15Å; F195-Y272 HydrophobicContact CZ-CE1 4.33Å; F195-I274 HydrophobicContact CD1-CD1 4.4Å; F195-L275 PolarHBondContact O-N 3.05Å; F195-L400 HydrophobicContact CE2-CD2 4.13Å; F195-L400 HydrophobicContact CE2-CG 3.85Å; F195-L400 HydrophobicContact CZ-CD1 4.24Å; F195-L400 HydrophobicContact CZ-CG 3.88Å; F195-L400 VanDerWaalsContact CZ-O 3.28Å; F195-L400 WeakPolarHBondContact CZ-O 3.29Å; F195-L401 HydrophobicContact CE2-CD2 4.43Å; F195-R403 HydrophobicContact CE1-CG 4.04Å; F195-R403 HydrophobicContact CZ-CG 4.45Å
196L96.3Very high87.5Confident1 Ų125.7 Ų25.71%0.00513%0.133CC..BIsolated β-bridgetrans-115.2137.2170.4-64179.5000108.8H193 K198 A246 Y249 L250 L275 F278H193-L196 HydrophobicContact CB-CB 4.28Å; H193-L196 HydrophobicContact CB-CD1 3.76Å; H193-L196 HydrophobicContact CB-CG 3.93Å; H193-L196 PolarHBondContact O-N 2.98Å; L196-K198 PolarHBondContact O-N 3.46Å; L196-A246 HydrophobicContact CD2-CB 3.74Å; L196-A246 HydrophobicContact CG-CB 4.25Å; L196-Y249 HydrophobicContact CD1-CD1 3.62Å; L196-Y249 HydrophobicContact CD1-CE1 4.06Å; L196-L250 HydrophobicContact CD1-CD2 3.88Å; L196-L250 HydrophobicContact CD1-CG 4.09Å; L196-L250 HydrophobicContact CD2-CD1 4.18Å; L196-L250 HydrophobicContact CD2-CG 4.39Å; L196-L275 HydrophobicContact CD2-CB 3.88Å; L196-L275 HydrophobicContact CD2-CD1 4.08Å; L196-L275 HydrophobicContact CD2-CG 4.27Å; L196-F278 HydrophobicContact CB-CZ 4.27Å; L196-F278 HydrophobicContact CD2-CE1 3.99Å; L196-F278 HydrophobicContact CD2-CZ 4.01Å
197C95.2Very high87.3Confident7 Ų728.3 Ų28.35%0.04715%0.149CC..  trans-62.8127.2174.2-179.90000110.3I216 I274 L275 T276 F278C197-I216 HydrophobicContact CB-CD1 4.05Å; C197-I274 HydrophobicContact CB-CG2 4.16Å; C197-L275 WeakPolarHBondContact CB-O 3.39Å; C197-L275 PolarHBondContact N-O 3.17Å; C197-T276 HydrophobicContact CB-CG2 4.07Å; C197-F278 HydrophobicContact CB-CE2 4.31Å
198K92.2Very high87.3Confident82 Ų8229.6 Ų29.636%0.35715%0.154SC..  trans-87.4142.5-175.7-59.8-180179.5-173.30111.5L191 L196 L213 D214L191-K198 WeakPolarHBondContact O-CE 3.45Å; L196-K198 PolarHBondContact O-N 3.46Å; K198-L213 VanDerWaalsContact O-CA 3.29Å; K198-L213 WeakPolarHBondContact O-CA 3.2Å; K198-D214 VanDerWaalsContact CB-OD2 3.23Å; K198-D214 WeakPolarHBondContact CB-OD2 3.27Å; K198-D214 WeakPolarHBondContact CG-OD2 3.45Å; K198-D214 PolarHBondContact N-OD2 2.77Å; K198-D214 PolarHBondContact O-N 2.85Å; K198-D214 VanDerWaalsContact O-N 3.12Å
199L92Very high87.5Confident1 Ų127.9 Ų27.91%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-88.3113164.2178.269.3000109.9L187 V188 L191 F201 F211 L213 Y457L187-L199 HydrophobicContact CB-CB 3.88Å; L187-L199 HydrophobicContact CB-CD2 3.99Å; L187-L199 HydrophobicContact CB-CG 4.48Å; L187-L199 HydrophobicContact CD2-CB 4.38Å; V188-L199 HydrophobicContact CG2-CD2 3.75Å; L191-L199 HydrophobicContact CD2-CB 4.36Å; L191-L199 WeakPolarHBondContact CD2-O 3.47Å; L199-F201 WeakPolarHBondContact CD1-O 3.05Å; L199-F211 HydrophobicContact CD1-CB 4.21Å; L199-F211 HydrophobicContact CD1-CD1 3.92Å; L199-L213 HydrophobicContact CB-CD2 4.23Å; L199-L213 HydrophobicContact CD1-CD2 3.83Å; L199-Y457 HydrophobicContact CD2-CD1 3.76Å; L199-Y457 HydrophobicContact CD2-CE1 4.4Å; L199-Y457 HydrophobicContact CG-CD1 4.19Å
200H88.1Confident87.9Confident46 Ų4625.1 Ų25.121%0.21313%0.132CC..EExtended strand (participates in β ladder)trans-72.3-48.8173.6-71.8-96.6000110.6V212 D214 P459H200-V212 HydrophobicContact CB-CB 4.47Å; H200-V212 HydrophobicContact CB-CG1 4.26Å; H200-V212 WeakPolarHBondContact CB-O 3.4Å; H200-V212 PolarHBondContact N-O 3.41Å; H200-D214 IonicContact CD2-OD1 2.83Å; H200-D214 IonicContact CE1-OD1 2.91Å; H200-D214 IonicContact NE2-OD1 2.79Å; H200-D214 PolarHBondContact NE2-OD1 3.04Å; H200-P459 WeakPolarHBondContact O-CD 3.37Å; H200-P459 WeakPolarHBondContact O-CG 3.37Å
201F87.3Confident88.5Confident28 Ų2825.1 Ų25.112%0.12313%0.132CC..EExtended strand (participates in β ladder)trans-166.5160172.645.6-82.2000108.8F135 L199 F203 V212 Y457 V458F135-F201 HydrophobicContact CE1-CE1 4.48Å; F135-F201 AromaticContact CE1-CZ 3.81Å; F135-F201 HydrophobicContact CE1-CZ 3.81Å; F135-F201 AromaticContact CE2-CE2 3.76Å; F135-F201 HydrophobicContact CE2-CE2 3.76Å; F135-F201 AromaticContact CE2-CZ 3.53Å; F135-F201 HydrophobicContact CE2-CZ 3.53Å; F135-F201 AromaticContact CZ-CE1 3.9Å; F135-F201 HydrophobicContact CZ-CE1 3.9Å; F135-F201 AromaticContact CZ-CE2 3.8Å; F135-F201 HydrophobicContact CZ-CE2 3.8Å; F135-F201 AromaticContact CZ-CZ 3.06Å; F135-F201 HydrophobicContact CZ-CZ 3.06Å; L199-F201 WeakPolarHBondContact CD1-O 3.05Å; F201-F203 AromaticContact CD2-CD1 3.86Å; F201-F203 HydrophobicContact CD2-CD1 3.86Å; F201-F203 HydrophobicContact CD2-CE1 4.09Å; F201-F203 HydrophobicContact CE2-CD1 4.05Å; F201-F203 AromaticContact CE2-CE1 3.8Å; F201-F203 HydrophobicContact CE2-CE1 3.8Å; F201-V212 HydrophobicContact CD1-CB 4.39Å; F201-V212 HydrophobicContact CD2-CB 4.09Å; F201-V212 HydrophobicContact CD2-CG2 3.82Å; F201-V212 HydrophobicContact CE1-CB 3.95Å; F201-V212 HydrophobicContact CE1-CG1 3.84Å; F201-V212 HydrophobicContact CE1-CG2 4.37Å; F201-V212 HydrophobicContact CE2-CB 3.68Å; F201-V212 HydrophobicContact CE2-CG1 4.18Å; F201-V212 HydrophobicContact CE2-CG2 3.21Å; F201-V212 HydrophobicContact CG-CB 4.36Å; F201-V212 HydrophobicContact CZ-CB 3.49Å; F201-V212 VanDerWaalsContact CZ-CB 3.49Å; F201-V212 HydrophobicContact CZ-CG1 3.49Å; F201-V212 VanDerWaalsContact CZ-CG1 3.49Å; F201-V212 HydrophobicContact CZ-CG2 3.44Å; F201-V212 VanDerWaalsContact CZ-CG2 3.44Å; F201-V212 PolarHBondContact N-O 2.87Å; F201-V212 PolarHBondContact O-N 3.25Å; F201-Y457 CarbonylContact C-O 3.5Å; F201-Y457 WeakPolarHBondContact CA-O 3.49Å; F201-Y457 WeakPolarHBondContact CB-O 3.41Å; F201-V458 HydrophobicContact CB-CG2 4.31Å
202S89.9Confident89.5Confident0 Ų023.2 Ų23.20%012%0.122CC..EExtended strand (participates in β ladder)trans-128143.917254.30000109.5Y210 F455 S456 Y457S202-Y210 CarbonylContact C-O 3.57Å; S202-Y210 WeakPolarHBondContact CA-O 3.26Å; S202-Y210 WeakPolarHBondContact CB-O 3.41Å; S202-F455 PolarHBondContact OG-O 2.87Å; S202-S456 CarbonylContact O-C 3.48Å; S202-S456 WeakPolarHBondContact O-CA 3.04Å; S202-Y457 PolarHBondContact N-O 2.87Å; S202-Y457 PolarHBondContact O-N 3.09Å; S202-Y457 VanDerWaalsContact OG-CB 3.24Å; S202-Y457 WeakPolarHBondContact OG-CB 3.18Å; S202-Y457 PolarHBondContact OG-N 3.34Å
203F86.9Confident90.2Very high1 Ų117.7 Ų17.70%0.0049%0.093CC..EExtended strand (participates in β ladder)trans-149.7165.7178.460.1-84000110.5I120 L122 L132 F201 Y210 V212 F455I120-F203 HydrophobicContact CD1-CD2 3.91Å; I120-F203 HydrophobicContact CD1-CE2 3.8Å; I120-F203 HydrophobicContact CG1-CD2 4.31Å; I120-F203 HydrophobicContact CG2-CB 4.33Å; I120-F203 HydrophobicContact CG2-CD2 3.9Å; L122-F203 HydrophobicContact CD2-CB 3.53Å; L122-F203 HydrophobicContact CD2-CG 4.3Å; L132-F203 HydrophobicContact CD1-CE2 4.48Å; L132-F203 HydrophobicContact CD2-CE2 4.47Å; L132-F203 HydrophobicContact CD2-CZ 3.93Å; L132-F203 HydrophobicContact CG-CE2 3.93Å; L132-F203 HydrophobicContact CG-CZ 3.82Å; F201-F203 AromaticContact CD2-CD1 3.86Å; F201-F203 HydrophobicContact CD2-CD1 3.86Å; F201-F203 HydrophobicContact CD2-CE1 4.09Å; F201-F203 HydrophobicContact CE2-CD1 4.05Å; F201-F203 AromaticContact CE2-CE1 3.8Å; F201-F203 HydrophobicContact CE2-CE1 3.8Å; F203-Y210 AromaticContact CD2-CD2 3.49Å; F203-Y210 HydrophobicContact CD2-CD2 3.49Å; F203-Y210 VanDerWaalsContact CD2-CD2 3.49Å; F203-Y210 HydrophobicContact CD2-CE2 4.22Å; F203-Y210 AromaticContact CD2-CG 3.86Å; F203-Y210 HydrophobicContact CD2-CG 3.86Å; F203-Y210 HydrophobicContact CE1-CG 4.22Å; F203-Y210 AromaticContact CE2-CD1 3.96Å; F203-Y210 HydrophobicContact CE2-CD1 3.96Å; F203-Y210 AromaticContact CE2-CD2 3.28Å; F203-Y210 HydrophobicContact CE2-CD2 3.28Å; F203-Y210 HydrophobicContact CE2-CE1 4.49Å; F203-Y210 AromaticContact CE2-CE2 3.85Å; F203-Y210 HydrophobicContact CE2-CE2 3.85Å; F203-Y210 AromaticContact CE2-CG 3.34Å; F203-Y210 HydrophobicContact CE2-CG 3.34Å; F203-Y210 HydrophobicContact CG-CD2 4.36Å; F203-Y210 HydrophobicContact CG-CG 4.49Å; F203-Y210 VanDerWaalsContact CZ-CB 3.46Å; F203-Y210 AromaticContact CZ-CD1 3.96Å; F203-Y210 HydrophobicContact CZ-CD1 3.96Å; F203-Y210 HydrophobicContact CZ-CD2 4.01Å; F203-Y210 AromaticContact CZ-CG 3.56Å; F203-Y210 HydrophobicContact CZ-CG 3.56Å; F203-Y210 PolarHBondContact N-O 3.24Å; F203-Y210 WeakPolarHBondContact O-CB 3.29Å; F203-Y210 WeakPolarHBondContact O-CD2 3.39Å; F203-Y210 PolarHBondContact O-N 2.83Å; F203-V212 HydrophobicContact CE1-CG2 3.82Å; F203-F455 WeakPolarHBondContact O-CE1 3.36Å
204Q86.8Confident90.2Very high2 Ų219.2 Ų19.21%0.00910%0.101CC..EExtended strand (participates in β ladder)trans-131.2149.4-178.461-177.1-43.600110.8I120 D121 K208 L209 F452 F455I120-Q204 CarbonylContact C-O 3.59Å; I120-Q204 VanDerWaalsContact CA-O 3.28Å; I120-Q204 WeakPolarHBondContact CA-O 3.29Å; I120-Q204 WeakPolarHBondContact CG2-O 3.31Å; D121-Q204 HydrophobicContact CB-CG 4.04Å; D121-Q204 PolarHBondContact N-O 3.03Å; D121-Q204 WeakPolarHBondContact O-CG 3.17Å; D121-Q204 PolarHBondContact O-N 2.84Å; D121-Q204 PolarHBondContact OD2-NE2 3.49Å; D121-Q204 VanDerWaalsContact OD2-NE2 3.17Å; Q204-K208 CarbonylContact C-O 3.53Å; Q204-K208 WeakPolarHBondContact CA-O 2.97Å; Q204-L209 HydrophobicContact CB-CD2 3.64Å; Q204-F452 PolarHBondContact NE2-O 2.94Å; Q204-F455 HydrophobicContact CB-CD1 4.19Å
205S80.6Confident90.2Very high3 Ų319 Ų192%0.02110%0.096CC..EExtended strand (participates in β ladder)trans-103.2-179.7163.560.10000110.2L119 K168 T207 K208L119-S205 CarbonylContact O-C 3.6Å; L119-S205 WeakPolarHBondContact O-CA 3.34Å; L119-S205 WeakPolarHBondContact O-CB 3.35Å; K168-S205 VanDerWaalsContact CE-O 3.24Å; K168-S205 WeakPolarHBondContact CE-O 3.47Å; K168-S205 PolarHBondContact NZ-O 3.47Å; S205-T207 PolarHBondContact O-N 3.37Å; S205-T207 PolarHBondContact OG-N 3.24Å; S205-K208 PolarHBondContact N-O 2.97Å; S205-K208 WeakPolarHBondContact OG-CB 3.4Å; S205-K208 PolarHBondContact OG-N 3.49Å; S205-K208 PolarHBondContact OG-O 3.32Å
206T77.3Confident90.1Very high58 Ų5819.5 Ų19.536%0.35610%0.099SC..SBendtrans-50.9-38.2168.439.50000112.4L119L119-T206 HydrophobicContact CB-CG2 4.08Å; L119-T206 PolarHBondContact O-N 3.05Å
207T83Confident90Very high54 Ų5420 Ų2033%0.33110%0.101SC..SBendtrans-113-19.6-171.163.70000114.9D118 K168 S205D118-T207 PolarHBondContact OD1-OG1 3.12Å; D118-T207 PolarHBondContact OD2-OG1 3.36Å; K168-T207 WeakPolarHBondContact CB-O 3.24Å; K168-T207 PolarHBondContact N-O 3.42Å; S205-T207 PolarHBondContact O-N 3.37Å; S205-T207 PolarHBondContact OG-N 3.24Å
208K89.9Confident90Very high29 Ų2919.6 Ų19.613%0.12610%0.099CC..EExtended strand (participates in β ladder)trans-134.2157.3-170.7-62.1166.6-162.3136.10113.6D118 V165 L166 Q204 S205 Y210D118-K208 IonicContact OD2-NZ 3.7Å; D118-K208 PolarHBondContact OD2-NZ 2.77Å; V165-K208 HydrophobicContact CG1-CB 4.18Å; V165-K208 HydrophobicContact CG1-CD 3.82Å; V165-K208 HydrophobicContact CG1-CG 4.27Å; L166-K208 CarbonylContact O-C 3.53Å; L166-K208 WeakPolarHBondContact O-CA 3.31Å; L166-K208 WeakPolarHBondContact O-CB 3.41Å; Q204-K208 CarbonylContact C-O 3.53Å; Q204-K208 WeakPolarHBondContact CA-O 2.97Å; S205-K208 PolarHBondContact N-O 2.97Å; S205-K208 WeakPolarHBondContact OG-CB 3.4Å; S205-K208 PolarHBondContact OG-N 3.49Å; S205-K208 PolarHBondContact OG-O 3.32Å; K208-Y210 HydrophobicContact CB-CE2 3.79Å; K208-Y210 WeakPolarHBondContact CD-OH 3.43Å
209L90.9Very high90.1Very high0 Ų015.8 Ų15.80%08%0.083CC..EExtended strand (participates in β ladder)trans-111.4142.8169.2-57.9174.6000109.3V165 L166 K168 V180 Q204 F452 F455V165-L209 CarbonylContact C-O 3.55Å; V165-L209 WeakPolarHBondContact CA-O 3.37Å; L166-L209 HydrophobicContact CB-CB 4.31Å; L166-L209 PolarHBondContact N-O 3.39Å; L166-L209 PolarHBondContact O-N 2.95Å; K168-L209 HydrophobicContact CD-CD2 4.45Å; K168-L209 VanDerWaalsContact CE-CD2 3.44Å; K168-L209 HydrophobicContact CG-CD2 4.17Å; K168-L209 HydrophobicContact CG-CG 3.96Å; V180-L209 HydrophobicContact CG1-CD1 3.69Å; Q204-L209 HydrophobicContact CB-CD2 3.64Å; L209-F452 HydrophobicContact CD1-CD1 3.65Å; L209-F452 HydrophobicContact CD1-CE1 3.62Å; L209-F452 HydrophobicContact CD1-CG 4.21Å; L209-F452 HydrophobicContact CD1-CZ 4.15Å; L209-F452 HydrophobicContact CD2-CB 4.07Å; L209-F452 HydrophobicContact CD2-CD1 4.2Å; L209-F452 HydrophobicContact CD2-CD2 4.37Å; L209-F452 HydrophobicContact CD2-CG 3.96Å; L209-F452 HydrophobicContact CG-CD1 4.49Å; L209-F455 HydrophobicContact CB-CE1 3.93Å; L209-F455 HydrophobicContact CB-CE2 4.09Å; L209-F455 HydrophobicContact CB-CZ 3.68Å; L209-F455 HydrophobicContact CD1-CD2 4.25Å; L209-F455 HydrophobicContact CD1-CE2 4.05Å; L209-F455 HydrophobicContact CD1-CZ 4.48Å; L209-F455 HydrophobicContact CD2-CD1 3.88Å; L209-F455 HydrophobicContact CD2-CD2 4.12Å; L209-F455 HydrophobicContact CD2-CE1 4.1Å; L209-F455 HydrophobicContact CD2-CE2 4.32Å; L209-F455 HydrophobicContact CD2-CG 3.9Å; L209-F455 HydrophobicContact CD2-CZ 4.33Å; L209-F455 HydrophobicContact CG-CE2 4.39Å; L209-F455 HydrophobicContact CG-CZ 4.38Å
210Y91.5Very high90.2Very high0 Ų019.4 Ų19.40%010%0.1CC..EExtended strand (participates in β ladder)trans-128.5124.1-176.5-57.8-92.5000110.1L132 I163 K164 V165 S202 F203 K208 L435 F455L132-Y210 HydrophobicContact CD1-CD1 4.32Å; L132-Y210 HydrophobicContact CD1-CE1 3.6Å; L132-Y210 HydrophobicContact CD2-CD1 4.17Å; L132-Y210 HydrophobicContact CD2-CE1 4.14Å; L132-Y210 HydrophobicContact CG-CE1 4.26Å; I163-Y210 HydrophobicContact CG2-CD1 4.23Å; K164-Y210 WeakPolarHBondContact O-CA 3.42Å; V165-Y210 HydrophobicContact CB-CD1 4.34Å; V165-Y210 HydrophobicContact CB-CE1 4.33Å; V165-Y210 HydrophobicContact CG1-CD1 4.02Å; V165-Y210 HydrophobicContact CG1-CE1 3.61Å; V165-Y210 HydrophobicContact CG2-CD1 3.73Å; V165-Y210 HydrophobicContact CG2-CE1 3.85Å; S202-Y210 CarbonylContact C-O 3.57Å; S202-Y210 WeakPolarHBondContact CA-O 3.26Å; S202-Y210 WeakPolarHBondContact CB-O 3.41Å; F203-Y210 AromaticContact CD2-CD2 3.49Å; F203-Y210 HydrophobicContact CD2-CD2 3.49Å; F203-Y210 VanDerWaalsContact CD2-CD2 3.49Å; F203-Y210 HydrophobicContact CD2-CE2 4.22Å; F203-Y210 AromaticContact CD2-CG 3.86Å; F203-Y210 HydrophobicContact CD2-CG 3.86Å; F203-Y210 HydrophobicContact CE1-CG 4.22Å; F203-Y210 AromaticContact CE2-CD1 3.96Å; F203-Y210 HydrophobicContact CE2-CD1 3.96Å; F203-Y210 AromaticContact CE2-CD2 3.28Å; F203-Y210 HydrophobicContact CE2-CD2 3.28Å; F203-Y210 HydrophobicContact CE2-CE1 4.49Å; F203-Y210 AromaticContact CE2-CE2 3.85Å; F203-Y210 HydrophobicContact CE2-CE2 3.85Å; F203-Y210 AromaticContact CE2-CG 3.34Å; F203-Y210 HydrophobicContact CE2-CG 3.34Å; F203-Y210 HydrophobicContact CG-CD2 4.36Å; F203-Y210 HydrophobicContact CG-CG 4.49Å; F203-Y210 VanDerWaalsContact CZ-CB 3.46Å; F203-Y210 AromaticContact CZ-CD1 3.96Å; F203-Y210 HydrophobicContact CZ-CD1 3.96Å; F203-Y210 HydrophobicContact CZ-CD2 4.01Å; F203-Y210 AromaticContact CZ-CG 3.56Å; F203-Y210 HydrophobicContact CZ-CG 3.56Å; F203-Y210 PolarHBondContact N-O 3.24Å; F203-Y210 WeakPolarHBondContact O-CB 3.29Å; F203-Y210 WeakPolarHBondContact O-CD2 3.39Å; F203-Y210 PolarHBondContact O-N 2.83Å; K208-Y210 HydrophobicContact CB-CE2 3.79Å; K208-Y210 WeakPolarHBondContact CD-OH 3.43Å; Y210-L435 HydrophobicContact CE1-CD2 4.16Å; Y210-F455 WeakPolarHBondContact O-CE1 3.18Å
211F92.2Very high90.7Very high0 Ų017.2 Ų17.20%09%0.09CC..EExtended strand (participates in β ladder)trans-106.9128.1164.9-63.6-96.4000108.7I163 K164 L166 V180 R184 L187 L199 L213 F455I163-F211 CarbonylContact C-O 3.59Å; I163-F211 VanDerWaalsContact CA-O 3.3Å; I163-F211 WeakPolarHBondContact CA-O 3.23Å; K164-F211 HydrophobicContact CB-CB 4.22Å; K164-F211 HydrophobicContact CD-CD2 4.48Å; K164-F211 PolarHBondContact N-O 3.43Å; K164-F211 PolarHBondContact O-N 2.83Å; L166-F211 HydrophobicContact CD1-CD2 3.64Å; L166-F211 HydrophobicContact CD1-CE2 3.66Å; V180-F211 HydrophobicContact CG1-CE2 4.23Å; V180-F211 HydrophobicContact CG1-CZ 4.14Å; R184-F211 HydrophobicContact CB-CE1 3.59Å; R184-F211 HydrophobicContact CB-CZ 3.99Å; R184-F211 HydrophobicContact CG-CE1 3.97Å; L187-F211 HydrophobicContact CD1-CD1 3.74Å; L187-F211 HydrophobicContact CD1-CE1 3.82Å; L199-F211 HydrophobicContact CD1-CB 4.21Å; L199-F211 HydrophobicContact CD1-CD1 3.92Å; F211-L213 HydrophobicContact CB-CD1 4.27Å; F211-L213 HydrophobicContact CB-CD2 4.34Å; F211-L213 HydrophobicContact CB-CG 4.1Å; F211-F455 HydrophobicContact CD1-CZ 4.27Å; F211-F455 HydrophobicContact CD2-CE2 4.42Å; F211-F455 AromaticContact CD2-CZ 3.88Å; F211-F455 HydrophobicContact CD2-CZ 3.88Å; F211-F455 AromaticContact CE1-CE2 3.93Å; F211-F455 HydrophobicContact CE1-CE2 3.93Å; F211-F455 AromaticContact CE1-CZ 3.98Å; F211-F455 HydrophobicContact CE1-CZ 3.98Å; F211-F455 AromaticContact CE2-CE2 3.64Å; F211-F455 HydrophobicContact CE2-CE2 3.64Å; F211-F455 AromaticContact CE2-CZ 3.55Å; F211-F455 HydrophobicContact CE2-CZ 3.55Å; F211-F455 HydrophobicContact CG-CZ 4.24Å; F211-F455 AromaticContact CZ-CE2 3.37Å; F211-F455 HydrophobicContact CZ-CE2 3.37Å; F211-F455 AromaticContact CZ-CZ 3.63Å; F211-F455 HydrophobicContact CZ-CZ 3.63Å
212V92.7Very high91Very high0 Ų019 Ų190%010%0.097CC..EExtended strand (participates in β ladder)trans-105.7114171-173.20000109L161 I163 H200 F201 F203L161-V212 HydrophobicContact CB-CG1 3.96Å; L161-V212 HydrophobicContact CD1-CG1 3.8Å; L161-V212 HydrophobicContact CD2-CG1 4.47Å; L161-V212 HydrophobicContact CG-CG1 4.29Å; I163-V212 HydrophobicContact CD1-CG2 4.37Å; I163-V212 HydrophobicContact CG1-CG1 4.31Å; I163-V212 HydrophobicContact CG1-CG2 4.09Å; I163-V212 HydrophobicContact CG2-CG2 4.48Å; H200-V212 HydrophobicContact CB-CB 4.47Å; H200-V212 HydrophobicContact CB-CG1 4.26Å; H200-V212 WeakPolarHBondContact CB-O 3.4Å; H200-V212 PolarHBondContact N-O 3.41Å; F201-V212 HydrophobicContact CD1-CB 4.39Å; F201-V212 HydrophobicContact CD2-CB 4.09Å; F201-V212 HydrophobicContact CD2-CG2 3.82Å; F201-V212 HydrophobicContact CE1-CB 3.95Å; F201-V212 HydrophobicContact CE1-CG1 3.84Å; F201-V212 HydrophobicContact CE1-CG2 4.37Å; F201-V212 HydrophobicContact CE2-CB 3.68Å; F201-V212 HydrophobicContact CE2-CG1 4.18Å; F201-V212 HydrophobicContact CE2-CG2 3.21Å; F201-V212 HydrophobicContact CG-CB 4.36Å; F201-V212 HydrophobicContact CZ-CB 3.49Å; F201-V212 VanDerWaalsContact CZ-CB 3.49Å; F201-V212 HydrophobicContact CZ-CG1 3.49Å; F201-V212 VanDerWaalsContact CZ-CG1 3.49Å; F201-V212 HydrophobicContact CZ-CG2 3.44Å; F201-V212 VanDerWaalsContact CZ-CG2 3.44Å; F201-V212 PolarHBondContact N-O 2.87Å; F201-V212 PolarHBondContact O-N 3.25Å; F203-V212 HydrophobicContact CE1-CG2 3.82Å
213L94.1Very high91.1Very high20 Ų2024 Ų2411%0.10512%0.117CC..EExtended strand (participates in β ladder)trans-120.7166.3-167.3-59168.9000110.5A162 K164 L187 K198 L199 F211 Y215A162-L213 HydrophobicContact CB-CB 4.34Å; A162-L213 PolarHBondContact N-O 3.36Å; A162-L213 PolarHBondContact O-N 3.36Å; K164-L213 HydrophobicContact CB-CD1 4.37Å; L187-L213 HydrophobicContact CD1-CD2 3.97Å; L187-L213 HydrophobicContact CD2-CD2 3.85Å; K198-L213 VanDerWaalsContact O-CA 3.29Å; K198-L213 WeakPolarHBondContact O-CA 3.2Å; L199-L213 HydrophobicContact CB-CD2 4.23Å; L199-L213 HydrophobicContact CD1-CD2 3.83Å; F211-L213 HydrophobicContact CB-CD1 4.27Å; F211-L213 HydrophobicContact CB-CD2 4.34Å; F211-L213 HydrophobicContact CB-CG 4.1Å; L213-Y215 PolarHBondContact O-N 3.28Å
214D94.2Very high91.5Very high40 Ų4024 Ų2421%0.21412%0.117CC..EExtended strand (participates in β ladder)trans-55.7135.9166.7-72.5-33.7000111K198 H200 I216K198-D214 VanDerWaalsContact CB-OD2 3.23Å; K198-D214 WeakPolarHBondContact CB-OD2 3.27Å; K198-D214 WeakPolarHBondContact CG-OD2 3.45Å; K198-D214 PolarHBondContact N-OD2 2.77Å; K198-D214 PolarHBondContact O-N 2.85Å; K198-D214 VanDerWaalsContact O-N 3.12Å; H200-D214 IonicContact CD2-OD1 2.83Å; H200-D214 IonicContact CE1-OD1 2.91Å; H200-D214 IonicContact NE2-OD1 2.79Å; H200-D214 PolarHBondContact NE2-OD1 3.04Å; D214-I216 HydrophobicContact CB-CD1 4.49Å; D214-I216 HydrophobicContact CB-CG1 4.17Å
215Y95.6Very high91.9Very high25 Ų2523.9 Ų23.910%0.09812%0.117CC..  trans-88.2115.7165.9179.8-125.9000110.1I141 L151 A160 L213 N217 S416 D418I141-Y215 HydrophobicContact CD1-CD2 3.74Å; I141-Y215 HydrophobicContact CD1-CE2 3.68Å; I141-Y215 HydrophobicContact CG2-CE2 4.44Å; L151-Y215 HydrophobicContact CD1-CD1 3.51Å; L151-Y215 HydrophobicContact CD1-CD2 3.95Å; L151-Y215 HydrophobicContact CD1-CE1 3.63Å; L151-Y215 HydrophobicContact CD1-CE2 4.1Å; L151-Y215 HydrophobicContact CD1-CG 3.67Å; L151-Y215 HydrophobicContact CD2-CE1 4.21Å; A160-Y215 HydrophobicContact CB-CD1 3.85Å; L213-Y215 PolarHBondContact O-N 3.28Å; Y215-N217 HydrophobicContact CD1-CB 4.13Å; Y215-N217 HydrophobicContact CE1-CB 3.52Å; Y215-N217 HydrophobicContact CE2-CB 4.4Å; Y215-S416 WeakPolarHBondContact CD1-O 3.19Å; Y215-S416 WeakPolarHBondContact CE1-O 3.4Å; Y215-D418 PolarHBondContact OH-O 2.92Å
216I95.7Very high92.5Very high13 Ų1328.3 Ų28.37%0.06714%0.137CC..  trans-113.4107.3-175.8-55.2158.1000108.1C197 D214 L266 L267 D268 I274 T276C197-I216 HydrophobicContact CB-CD1 4.05Å; D214-I216 HydrophobicContact CB-CD1 4.49Å; D214-I216 HydrophobicContact CB-CG1 4.17Å; I216-L266 HydrophobicContact CB-CB 4.04Å; I216-L266 HydrophobicContact CB-CD1 3.94Å; I216-L266 HydrophobicContact CD1-CB 4.44Å; I216-L266 HydrophobicContact CD1-CD1 4.35Å; I216-L266 HydrophobicContact CG2-CB 3.46Å; I216-L266 VanDerWaalsContact CG2-CB 3.46Å; I216-L266 HydrophobicContact CG2-CD1 4.3Å; I216-L267 VanDerWaalsContact CG2-C 3.47Å; I216-L267 WeakPolarHBondContact CG2-O 3.34Å; I216-D268 HydrophobicContact CG2-CB 4.03Å; I216-I274 HydrophobicContact CD1-CB 3.85Å; I216-I274 HydrophobicContact CD1-CG1 4.34Å; I216-I274 HydrophobicContact CD1-CG2 3.55Å; I216-I274 HydrophobicContact CG2-CG1 4.33Å; I216-T276 HydrophobicContact CD1-CG2 3.71Å
217N94.3Very high93.2Very high10 Ų1031.1 Ų31.15%0.05314%0.141CC..  trans-110.77.1-161.465.4-10.6000115.6Y215 G219 V413 S415 N421Y215-N217 HydrophobicContact CD1-CB 4.13Å; Y215-N217 HydrophobicContact CE1-CB 3.52Å; Y215-N217 HydrophobicContact CE2-CB 4.4Å; N217-G219 VanDerWaalsContact C-N 3.25Å; N217-V413 WeakPolarHBondContact ND2-CG1 3.31Å; N217-S415 PolarHBondContact ND2-O 3.42Å; N217-N421 PolarHBondContact O-ND2 3.39Å
218G95.5Very high93.8Very high0 Ų032 Ų320%014%0.141CC..SBendtrans-79.8-5.9173.400000113.7H224 L267G218-H224 PolarHBondContact O-CE1 3.07Å; G218-H224 PolarHBondContact O-NE2 3.05Å; G218-L267 CarbonylContact C-O 3.57Å; G218-L267 WeakPolarHBondContact CA-O 3.46Å; G218-L267 PolarHBondContact N-O 3.45Å
219G94.2Very high94Very high1 Ų140.4 Ų40.41%0.0117%0.172CC..  trans86.1170.1177.500000114N217 L267N217-G219 VanDerWaalsContact C-N 3.25Å; G219-L267 PolarHBondContact O-N 2.9Å
220E94.5Very high94.2Very high78 Ų7842.8 Ų42.836%0.36419%0.187SC..BIsolated β-bridgetrans-67.2142.4-179.3-65.2167.6-16100112.1F222 Y223 H224 L266E220-F222 HydrophobicContact CB-CB 4.34Å; E220-F222 PolarHBondContact O-N 3.41Å; E220-Y223 WeakPolarHBondContact O-CB 3.47Å; E220-Y223 PolarHBondContact O-N 2.85Å; E220-Y223 VanDerWaalsContact O-N 3.13Å; E220-H224 PolarHBondContact O-CD2 2.93Å; E220-H224 PolarHBondContact O-N 3.38Å; E220-L266 HydrophobicContact CB-CD2 4.11Å; E220-L266 HydrophobicContact CG-CD2 3.45Å; E220-L266 VanDerWaalsContact CG-CD2 3.45Å
221L96.9Very high94.5Very high0 Ų043.3 Ų43.30%019%0.189CC..Hα-helixtrans-58.3-37.1172.6-171.669000110.4Y223 H224 I225 F231 Y239 P262 I265 L267 V323 M327L221-Y223 PolarHBondContact O-N 3.19Å; L221-H224 PolarHBondContact O-N 3.33Å; L221-I225 HydrophobicContact CD2-CD1 4.48Å; L221-I225 HydrophobicContact CG-CD1 4.12Å; L221-I225 HydrophobicContact CG-CG1 4.49Å; L221-I225 WeakPolarHBondContact O-CG1 3.43Å; L221-I225 PolarHBondContact O-N 3.29Å; L221-F231 HydrophobicContact CD1-CE2 3.76Å; L221-F231 HydrophobicContact CD1-CZ 4.33Å; L221-F231 HydrophobicContact CG-CE2 4.47Å; L221-Y239 HydrophobicContact CD1-CD2 3.81Å; L221-Y239 HydrophobicContact CD1-CE2 3.85Å; L221-Y239 HydrophobicContact CD1-CG 4.42Å; L221-P262 HydrophobicContact CB-CB 4.29Å; L221-P262 WeakPolarHBondContact CB-O 3.23Å; L221-P262 PolarHBondContact N-O 3.42Å; L221-I265 HydrophobicContact CB-CB 3.93Å; L221-I265 HydrophobicContact CB-CG2 4.04Å; L221-I265 WeakPolarHBondContact CB-O 3.18Å; L221-I265 HydrophobicContact CD2-CB 4.18Å; L221-I265 HydrophobicContact CD2-CD1 3.8Å; L221-I265 HydrophobicContact CD2-CG2 4.03Å; L221-I265 PolarHBondContact N-O 2.96Å; L221-L267 HydrophobicContact CD1-CD2 4.26Å; L221-V323 HydrophobicContact CD2-CG1 4.16Å; L221-M327 HydrophobicContact CD2-CG 4.41Å; L221-M327 HydrophobicContact CD2-SD 4.08Å
222F94.6Very high94.8Very high65 Ų6547.7 Ų47.729%0.28522%0.216SC..Hα-helixtrans-51.8-51.5173.3-175.7-104.6000112.2E220 H224 I225 Q226 P262 E263E220-F222 HydrophobicContact CB-CB 4.34Å; E220-F222 PolarHBondContact O-N 3.41Å; F222-H224 VanDerWaalsContact C-N 3.3Å; F222-H224 PolarHBondContact O-N 2.95Å; F222-I225 PolarHBondContact O-N 3.24Å; F222-Q226 HydrophobicContact CD1-CG 4.12Å; F222-Q226 HydrophobicContact CD2-CG 4.5Å; F222-Q226 HydrophobicContact CE1-CG 3.7Å; F222-Q226 HydrophobicContact CE2-CG 4.12Å; F222-Q226 HydrophobicContact CG-CG 4.5Å; F222-Q226 HydrophobicContact CZ-CG 3.7Å; F222-Q226 WeakPolarHBondContact O-CG 3.39Å; F222-Q226 PolarHBondContact O-N 3.28Å; F222-P262 HydrophobicContact CB-CB 3.81Å; F222-P262 HydrophobicContact CD2-CB 4.32Å; F222-P262 PolarHBondContact N-O 2.76Å; F222-P262 VanDerWaalsContact N-O 3.16Å; F222-E263 HydrophobicContact CB-CG 3.99Å; F222-E263 HydrophobicContact CD1-CG 4.5Å; F222-E263 HydrophobicContact CD2-CG 4.4Å; F222-E263 HydrophobicContact CG-CG 4.05Å
223Y92.2Very high95Very high105 Ų10549.5 Ų49.541%0.41222%0.224SC..Hα-helixtrans-57.5-42.8178.9171.9-97.8000112.1E220 L221 Q226 R227E220-Y223 WeakPolarHBondContact O-CB 3.47Å; E220-Y223 PolarHBondContact O-N 2.85Å; E220-Y223 VanDerWaalsContact O-N 3.13Å; L221-Y223 PolarHBondContact O-N 3.19Å; Y223-Q226 PolarHBondContact O-N 3.01Å; Y223-R227 WeakPolarHBondContact O-CB 3.41Å; Y223-R227 PolarHBondContact O-N 2.95Å
224H94.8Very high95.2Very high0 Ų052.9 Ų52.90%025%0.246CC..Hα-helixtrans-68.1-39.2178.6-66-69.5000112.5G218 E220 L221 F222 R227 E228 F231 F409G218-H224 PolarHBondContact O-CE1 3.07Å; G218-H224 PolarHBondContact O-NE2 3.05Å; E220-H224 PolarHBondContact O-CD2 2.93Å; E220-H224 PolarHBondContact O-N 3.38Å; L221-H224 PolarHBondContact O-N 3.33Å; F222-H224 VanDerWaalsContact C-N 3.3Å; F222-H224 PolarHBondContact O-N 2.95Å; H224-R227 PolarHBondContact ND1-NH2 2.82Å; H224-R227 PolarHBondContact O-N 3.19Å; H224-E228 PolarHBondContact O-N 3.06Å; H224-F231 HydrophobicContact CB-CE1 4.25Å; H224-F231 HydrophobicContact CB-CZ 3.72Å; H224-F409 AromaticContact CE1-CE1 3.56Å; H224-F409 AromaticContact CE1-CZ 3.66Å; H224-F409 AromaticContact ND1-CE1 3.57Å; H224-F409 AromaticContact ND1-CZ 3.51Å
225I95.7Very high95.3Very high1 Ų151.6 Ų51.61%0.00524%0.238CC..Hα-helixtrans-61.8-47.7174.5-66.8169000109.9L221 F222 R227 E228 R229 F231 P262 E326 M327L221-I225 HydrophobicContact CD2-CD1 4.48Å; L221-I225 HydrophobicContact CG-CD1 4.12Å; L221-I225 HydrophobicContact CG-CG1 4.49Å; L221-I225 WeakPolarHBondContact O-CG1 3.43Å; L221-I225 PolarHBondContact O-N 3.29Å; F222-I225 PolarHBondContact O-N 3.24Å; I225-R227 VanDerWaalsContact C-N 3.33Å; I225-R227 PolarHBondContact O-N 3.47Å; I225-E228 PolarHBondContact O-N 3.37Å; I225-R229 CarbonylContact O-C 3.5Å; I225-R229 WeakPolarHBondContact O-CA 3.49Å; I225-R229 PolarHBondContact O-N 2.88Å; I225-F231 HydrophobicContact CB-CZ 4.38Å; I225-F231 HydrophobicContact CD1-CE2 4.42Å; I225-F231 HydrophobicContact CG1-CD2 4.33Å; I225-F231 HydrophobicContact CG1-CE1 4.37Å; I225-F231 HydrophobicContact CG1-CE2 3.57Å; I225-F231 HydrophobicContact CG1-CZ 3.59Å; I225-P262 HydrophobicContact CD1-CB 4.09Å; I225-P262 HydrophobicContact CD1-CG 4.15Å; I225-E326 HydrophobicContact CD1-CG 4.29Å; I225-E326 HydrophobicContact CG2-CG 4.39Å; I225-M327 HydrophobicContact CD1-CG 3.79Å; I225-M327 HydrophobicContact CG1-CG 4.29Å
226Q93.4Very high95.5Very high96 Ų9650.4 Ų50.445%0.44923%0.234SC..Hα-helixtrans-61.1-41179.8-69.8-58.1-40.300112.4F222 Y223F222-Q226 HydrophobicContact CD1-CG 4.12Å; F222-Q226 HydrophobicContact CD2-CG 4.5Å; F222-Q226 HydrophobicContact CE1-CG 3.7Å; F222-Q226 HydrophobicContact CE2-CG 4.12Å; F222-Q226 HydrophobicContact CG-CG 4.5Å; F222-Q226 HydrophobicContact CZ-CG 3.7Å; F222-Q226 WeakPolarHBondContact O-CG 3.39Å; F222-Q226 PolarHBondContact O-N 3.28Å; Y223-Q226 PolarHBondContact O-N 3.01Å
227R92.3Very high95.6Very high117 Ų11751.1 Ų51.144%0.44224%0.235SC..Hα-helixtrans-68.9-42.4-179.7-169.8-177.567.8-169.6-3.5112.9Y223 H224 I225Y223-R227 WeakPolarHBondContact O-CB 3.41Å; Y223-R227 PolarHBondContact O-N 2.95Å; H224-R227 PolarHBondContact ND1-NH2 2.82Å; H224-R227 PolarHBondContact O-N 3.19Å; I225-R227 VanDerWaalsContact C-N 3.33Å; I225-R227 PolarHBondContact O-N 3.47Å
228E93.9Very high95.8Very high72 Ų7251.2 Ų51.234%0.33624%0.235SC..Hα-helixtrans-97.1-4.8-174-63.6-179.7-12600113.4H224 I225 V230 F231 R235H224-E228 PolarHBondContact O-N 3.06Å; I225-E228 PolarHBondContact O-N 3.37Å; E228-V230 PolarHBondContact O-N 3.01Å; E228-F231 HydrophobicContact CB-CD1 4.4Å; E228-F231 HydrophobicContact CB-CE1 4.15Å; E228-R235 IonicContact OE1-CZ 2.84Å; E228-R235 IonicContact OE1-NH1 2.69Å; E228-R235 PolarHBondContact OE1-NH1 3.42Å; E228-R235 IonicContact OE1-NH2 3.9Å; E228-R235 PolarHBondContact OE1-NH2 3.3Å; E228-R235 IonicContact OE2-CZ 2.8Å; E228-R235 IonicContact OE2-NH1 3.13Å; E228-R235 PolarHBondContact OE2-NH1 3.12Å
229R93.9Very high96Very high205 Ų20551.2 Ų51.277%0.77424%0.235SC*.SBendtrans65.8-49.7-174.9-54-176.9175.8-168.1-1.8114.5I225 G330I225-R229 CarbonylContact O-C 3.5Å; I225-R229 WeakPolarHBondContact O-CA 3.49Å; I225-R229 PolarHBondContact O-N 2.88Å; R229-G330 WeakPolarHBondContact O-CA 3.22Å
230V96.2Very high96.2Very high51 Ų5151.1 Ų51.131%0.30924%0.235SC..SBendtrans-147.5149.5177.4-63.20000110.6E228 L328E228-V230 PolarHBondContact O-N 3.01Å; V230-L328 WeakPolarHBondContact CG1-O 3.44Å
231F97.8Very high96.4Very high11 Ų1147.4 Ų47.45%0.04822%0.217CC..  trans-96.4158.3171.8-61.7-21.9000111.6L221 H224 I225 E228 R235 Y239 M327L221-F231 HydrophobicContact CD1-CE2 3.76Å; L221-F231 HydrophobicContact CD1-CZ 4.33Å; L221-F231 HydrophobicContact CG-CE2 4.47Å; H224-F231 HydrophobicContact CB-CE1 4.25Å; H224-F231 HydrophobicContact CB-CZ 3.72Å; I225-F231 HydrophobicContact CB-CZ 4.38Å; I225-F231 HydrophobicContact CD1-CE2 4.42Å; I225-F231 HydrophobicContact CG1-CD2 4.33Å; I225-F231 HydrophobicContact CG1-CE1 4.37Å; I225-F231 HydrophobicContact CG1-CE2 3.57Å; I225-F231 HydrophobicContact CG1-CZ 3.59Å; E228-F231 HydrophobicContact CB-CD1 4.4Å; E228-F231 HydrophobicContact CB-CE1 4.15Å; F231-R235 HydrophobicContact CB-CB 4.25Å; F231-R235 HydrophobicContact CB-CG 4.21Å; F231-R235 HydrophobicContact CD2-CG 4.25Å; F231-R235 HydrophobicContact CG-CG 4.19Å; F231-Y239 HydrophobicContact CD2-CD2 4.25Å; F231-Y239 HydrophobicContact CD2-CE2 4.13Å; F231-Y239 HydrophobicContact CE2-CD2 4.2Å; F231-Y239 AromaticContact CE2-CE2 3.9Å; F231-Y239 HydrophobicContact CE2-CE2 3.9Å; F231-M327 HydrophobicContact CD2-CB 3.87Å; F231-M327 HydrophobicContact CD2-CG 3.69Å; F231-M327 HydrophobicContact CD2-SD 3.86Å; F231-M327 HydrophobicContact CE2-CG 3.98Å; F231-M327 HydrophobicContact CE2-SD 4.17Å; F231-M327 PolarHBondContact N-O 2.86Å
232T97.3Very high96.5Very high92 Ų9247.4 Ų47.456%0.56422%0.217SC*.  trans-70.9155.7170.4640000110.7T234 R235 T236T232-T234 PolarHBondContact O-N 3.29Å; T232-R235 PolarHBondContact O-N 2.83Å; T232-R235 PolarHBondContact OG1-N 3.39Å; T232-T236 PolarHBondContact O-N 2.74Å; T232-T236 PolarHBondContact O-OG1 3.18Å
233E97.9Very high96.7Very high38 Ų3844.4 Ų44.418%0.17820%0.204CC..Hα-helixtrans-57-34.8176.8-66.7-170-148.100112.9R237 L328 L357 S358 T361E233-R237 WeakPolarHBondContact O-CB 3.27Å; E233-R237 PolarHBondContact O-N 3.35Å; E233-R237 IonicContact OE2-NH2 3.87Å; E233-L328 HydrophobicContact CG-CD2 4Å; E233-L357 HydrophobicContact CG-CD2 4.35Å; E233-L357 WeakPolarHBondContact OE1-CA 3.33Å; E233-S358 PolarHBondContact OE1-N 2.74Å; E233-S358 VanDerWaalsContact OE2-CB 3.31Å; E233-S358 WeakPolarHBondContact OE2-CB 3.03Å; E233-S358 PolarHBondContact OE2-OG 2.88Å; E233-T361 HydrophobicContact CG-CG2 4.21Å; E233-T361 VanDerWaalsContact OE2-CB 3.25Å; E233-T361 WeakPolarHBondContact OE2-CB 3.47Å; E233-T361 PolarHBondContact OE2-OG1 3.14Å
234T97.7Very high97Very high91 Ų9139.4 Ų39.456%0.55819%0.185SC*.Hα-helixtrans-64.2-44.5176.2-57.20000112.1T232 F238T232-T234 PolarHBondContact O-N 3.29Å; T234-F238 PolarHBondContact O-N 3.32Å; T234-F238 VanDerWaalsContact O-N 3.09Å
235R97.9Very high97.1Very high13 Ų1339.8 Ų39.85%0.04919%0.187CC..Hα-helixtrans-68.3-44.2176.8-179.5169.9-176.3-167.4-5.8111.9E228 F231 T232 R237 F238 Y239 P408 F409E228-R235 IonicContact OE1-CZ 2.84Å; E228-R235 IonicContact OE1-NH1 2.69Å; E228-R235 PolarHBondContact OE1-NH1 3.42Å; E228-R235 IonicContact OE1-NH2 3.9Å; E228-R235 PolarHBondContact OE1-NH2 3.3Å; E228-R235 IonicContact OE2-CZ 2.8Å; E228-R235 IonicContact OE2-NH1 3.13Å; E228-R235 PolarHBondContact OE2-NH1 3.12Å; F231-R235 HydrophobicContact CB-CB 4.25Å; F231-R235 HydrophobicContact CB-CG 4.21Å; F231-R235 HydrophobicContact CD2-CG 4.25Å; F231-R235 HydrophobicContact CG-CG 4.19Å; T232-R235 PolarHBondContact O-N 2.83Å; T232-R235 PolarHBondContact OG1-N 3.39Å; R235-R237 VanDerWaalsContact C-N 3.33Å; R235-R237 PolarHBondContact O-N 2.9Å; R235-F238 WeakPolarHBondContact O-CB 3.43Å; R235-F238 PolarHBondContact O-N 2.86Å; R235-Y239 HydrophobicContact CG-CD2 3.99Å; R235-Y239 HydrophobicContact CG-CE2 3.44Å; R235-Y239 VanDerWaalsContact CG-CE2 3.44Å; R235-Y239 VanDerWaalsContact NE-CE2 3.35Å; R235-Y239 PolarHBondContact NE-OH 3.32Å; R235-Y239 VanDerWaalsContact NE-OH 3.09Å; R235-Y239 PolarHBondContact O-N 3.03Å; R235-Y239 VanDerWaalsContact O-N 3.14Å; R235-P408 HydrophobicContact CB-CB 4.36Å; R235-P408 HydrophobicContact CB-CG 3.99Å; R235-P408 HydrophobicContact CG-CG 3.99Å; R235-F409 VanDerWaalsContact CZ-CB 3.44Å; R235-F409 VanDerWaalsContact CZ-CG 3.4Å
236T98.5Very high97.2Very high0 Ų039.7 Ų39.70%019%0.187CC..Hα-helixtrans-57.3-46.6174.8-60.10000111.3T232 F238 Y239 A240 I324 M327 L328 F391T232-T236 PolarHBondContact O-N 2.74Å; T232-T236 PolarHBondContact O-OG1 3.18Å; T236-F238 VanDerWaalsContact C-N 3.34Å; T236-F238 PolarHBondContact O-N 3.47Å; T236-Y239 PolarHBondContact O-N 3.31Å; T236-A240 WeakPolarHBondContact O-CB 3.49Å; T236-A240 PolarHBondContact O-N 3.35Å; T236-I324 HydrophobicContact CG2-CB 4.36Å; T236-I324 HydrophobicContact CG2-CG2 3.78Å; T236-M327 HydrophobicContact CG2-CB 3.93Å; T236-M327 HydrophobicContact CG2-CE 3.76Å; T236-M327 HydrophobicContact CG2-SD 4.28Å; T236-L328 HydrophobicContact CG2-CD1 4.23Å; T236-L328 HydrophobicContact CG2-CD2 4.15Å; T236-L328 HydrophobicContact CG2-CG 3.93Å; T236-L328 WeakPolarHBondContact OG1-CD2 3.3Å; T236-F391 HydrophobicContact CG2-CZ 4.41Å
237R98.6Very high97.4Very high27 Ų2735.1 Ų35.110%0.10217%0.165CC..Hα-helixtrans-60.9-42.3178.2-174.2-172.9-58.8102.413.7112.3E233 R235 A240 A241 F391 F392 I395E233-R237 WeakPolarHBondContact O-CB 3.27Å; E233-R237 PolarHBondContact O-N 3.35Å; E233-R237 IonicContact OE2-NH2 3.87Å; R235-R237 VanDerWaalsContact C-N 3.33Å; R235-R237 PolarHBondContact O-N 2.9Å; R237-A240 PolarHBondContact O-N 3.09Å; R237-A241 WeakPolarHBondContact O-CB 3.33Å; R237-A241 PolarHBondContact O-N 2.88Å; R237-F391 HydrophobicContact CB-CE1 3.92Å; R237-F391 HydrophobicContact CB-CE2 4.24Å; R237-F391 HydrophobicContact CB-CZ 3.65Å; R237-F391 WeakPolarHBondContact CD-O 3.36Å; R237-F391 HydrophobicContact CG-CD1 4.24Å; R237-F391 HydrophobicContact CG-CE1 3.87Å; R237-F391 HydrophobicContact CG-CZ 4.05Å; R237-F391 WeakPolarHBondContact CG-O 3.45Å; R237-F391 PolarHBondContact NE-O 2.96Å; R237-F392 HydrophobicContact CG-CD1 4.11Å; R237-I395 HydrophobicContact CG-CD1 4.12Å; R237-I395 HydrophobicContact CG-CG1 4.09Å
238F98.6Very high97.5Very high12 Ų1230 Ų305%0.05315%0.149CC..Hα-helixtrans-60.1-47.6178179.2-104.1000112T234 R235 T236 Q242 Y272 L400 L405 A407 P408T234-F238 PolarHBondContact O-N 3.32Å; T234-F238 VanDerWaalsContact O-N 3.09Å; R235-F238 WeakPolarHBondContact O-CB 3.43Å; R235-F238 PolarHBondContact O-N 2.86Å; T236-F238 VanDerWaalsContact C-N 3.34Å; T236-F238 PolarHBondContact O-N 3.47Å; F238-Q242 WeakPolarHBondContact O-CG 3.28Å; F238-Q242 PolarHBondContact O-NE2 2.88Å; F238-Y272 HydrophobicContact CE2-CE1 4.4Å; F238-Y272 HydrophobicContact CZ-CD1 4.02Å; F238-Y272 AromaticContact CZ-CE1 3.87Å; F238-Y272 HydrophobicContact CZ-CE1 3.87Å; F238-Y272 HydrophobicContact CZ-CE2 4.49Å; F238-Y272 HydrophobicContact CZ-CG 4.44Å; F238-L400 HydrophobicContact CE2-CD1 4.27Å; F238-L405 HydrophobicContact CE2-CB 3.95Å; F238-A407 HydrophobicContact CE1-CB 3.78Å; F238-A407 HydrophobicContact CZ-CB 3.86Å; F238-P408 HydrophobicContact CB-CG 4Å; F238-P408 HydrophobicContact CD1-CG 3.91Å; F238-P408 HydrophobicContact CG-CG 4.05Å
239Y98.8Very high97.6Very high0 Ų028.9 Ų28.90%014%0.142CC..Hα-helixtrans-70.6-42.9177.2-61.6-38.5000112.5L221 F231 R235 T236 A241 Q242 I243 L267 G271 A273 M327L221-Y239 HydrophobicContact CD1-CD2 3.81Å; L221-Y239 HydrophobicContact CD1-CE2 3.85Å; L221-Y239 HydrophobicContact CD1-CG 4.42Å; F231-Y239 HydrophobicContact CD2-CD2 4.25Å; F231-Y239 HydrophobicContact CD2-CE2 4.13Å; F231-Y239 HydrophobicContact CE2-CD2 4.2Å; F231-Y239 AromaticContact CE2-CE2 3.9Å; F231-Y239 HydrophobicContact CE2-CE2 3.9Å; R235-Y239 HydrophobicContact CG-CD2 3.99Å; R235-Y239 HydrophobicContact CG-CE2 3.44Å; R235-Y239 VanDerWaalsContact CG-CE2 3.44Å; R235-Y239 VanDerWaalsContact NE-CE2 3.35Å; R235-Y239 PolarHBondContact NE-OH 3.32Å; R235-Y239 VanDerWaalsContact NE-OH 3.09Å; R235-Y239 PolarHBondContact O-N 3.03Å; R235-Y239 VanDerWaalsContact O-N 3.14Å; T236-Y239 PolarHBondContact O-N 3.31Å; Y239-A241 PolarHBondContact O-N 3.24Å; Y239-Q242 PolarHBondContact O-N 3.4Å; Y239-Q242 VanDerWaalsContact O-N 3.11Å; Y239-I243 WeakPolarHBondContact O-CD1 3.41Å; Y239-I243 VanDerWaalsContact O-CG1 3.31Å; Y239-I243 WeakPolarHBondContact O-CG1 3.35Å; Y239-I243 PolarHBondContact O-N 3.43Å; Y239-L267 HydrophobicContact CD1-CD2 4.21Å; Y239-L267 HydrophobicContact CE1-CD1 4.48Å; Y239-L267 HydrophobicContact CE1-CD2 3.7Å; Y239-L267 WeakPolarHBondContact OH-CD1 3.16Å; Y239-G271 WeakPolarHBondContact CE1-O 3.35Å; Y239-A273 HydrophobicContact CD1-CB 3.94Å; Y239-A273 HydrophobicContact CG-CB 4.5Å; Y239-M327 HydrophobicContact CD2-SD 3.77Å; Y239-M327 HydrophobicContact CG-SD 4.38Å
240A98.8Very high97.5Very high0 Ų019.1 Ų19.10%011%0.105CC..Hα-helixtrans-57.3-37.9177.600000112.2T236 R237 A244 L320 I324 F391 F392T236-A240 WeakPolarHBondContact O-CB 3.49Å; T236-A240 PolarHBondContact O-N 3.35Å; R237-A240 PolarHBondContact O-N 3.09Å; A240-A244 WeakPolarHBondContact O-CB 3.28Å; A240-A244 PolarHBondContact O-N 3.41Å; A240-L320 HydrophobicContact CB-CD1 4.48Å; A240-I324 HydrophobicContact CB-CD1 3.81Å; A240-I324 HydrophobicContact CB-CG1 3.75Å; A240-F391 HydrophobicContact CB-CE1 4.01Å; A240-F392 HydrophobicContact CB-CE1 3.88Å; A240-F392 HydrophobicContact CB-CZ 4.07Å
241A98.8Very high97.4Very high0 Ų017.1 Ų17.10%09%0.092CC..Hα-helixtrans-65.1-41.2177.900000111.8R237 Y239 S245 F392 I395 W397 L400R237-A241 WeakPolarHBondContact O-CB 3.33Å; R237-A241 PolarHBondContact O-N 2.88Å; Y239-A241 PolarHBondContact O-N 3.24Å; A241-S245 WeakPolarHBondContact O-CB 3.42Å; A241-S245 PolarHBondContact O-N 2.98Å; A241-F392 HydrophobicContact CB-CD1 3.97Å; A241-F392 HydrophobicContact CB-CE1 3.92Å; A241-I395 HydrophobicContact CB-CD1 4.28Å; A241-I395 HydrophobicContact CB-CG1 4.09Å; A241-I395 HydrophobicContact CB-CG2 4.08Å; A241-W397 HydrophobicContact CB-CH2 3.93Å; A241-W397 HydrophobicContact CB-CZ3 3.97Å; A241-W397 WeakPolarHBondContact O-CZ3 3.33Å; A241-L400 HydrophobicContact CB-CD2 3.68Å
242Q98.7Very high97Very high0 Ų020.3 Ų20.30%012%0.116CC..Hα-helixtrans-66.5-45.2178.4-65.5166.370.400111.5F195 F238 Y239 S245 A246 Y272 A273 L400F195-Q242 HydrophobicContact CB-CB 4.36Å; F195-Q242 HydrophobicContact CD1-CB 4.18Å; F195-Q242 HydrophobicContact CD1-CG 4.09Å; F195-Q242 HydrophobicContact CD2-CB 3.73Å; F195-Q242 HydrophobicContact CD2-CG 3.99Å; F195-Q242 HydrophobicContact CE1-CB 4.49Å; F195-Q242 HydrophobicContact CE1-CG 3.94Å; F195-Q242 HydrophobicContact CE2-CB 4.06Å; F195-Q242 HydrophobicContact CE2-CG 3.81Å; F195-Q242 HydrophobicContact CG-CB 3.81Å; F195-Q242 HydrophobicContact CG-CG 4.15Å; F195-Q242 HydrophobicContact CZ-CB 4.42Å; F195-Q242 HydrophobicContact CZ-CG 3.77Å; F238-Q242 WeakPolarHBondContact O-CG 3.28Å; F238-Q242 PolarHBondContact O-NE2 2.88Å; Y239-Q242 PolarHBondContact O-N 3.4Å; Y239-Q242 VanDerWaalsContact O-N 3.11Å; Q242-S245 PolarHBondContact O-N 2.8Å; Q242-A246 WeakPolarHBondContact O-CB 3.48Å; Q242-A246 PolarHBondContact O-N 3.21Å; Q242-Y272 VanDerWaalsContact OE1-CA 3.23Å; Q242-Y272 VanDerWaalsContact OE1-CB 3.3Å; Q242-A273 HydrophobicContact CB-CB 4.4Å; Q242-L400 HydrophobicContact CG-CD1 3.82Å; Q242-L400 HydrophobicContact CG-CD2 4.45Å; Q242-L400 HydrophobicContact CG-CG 4.4Å
243I98.8Very high96.7Very high2 Ų219 Ų191%0.0110%0.103CC..Hα-helixtrans-63-46.9177.3-61.8160.6000110Y239 S245 A246 L247 L260 I265 L275 L320 V323Y239-I243 WeakPolarHBondContact O-CD1 3.41Å; Y239-I243 VanDerWaalsContact O-CG1 3.31Å; Y239-I243 WeakPolarHBondContact O-CG1 3.35Å; Y239-I243 PolarHBondContact O-N 3.43Å; I243-S245 VanDerWaalsContact C-N 3.35Å; I243-S245 PolarHBondContact O-N 3.05Å; I243-A246 WeakPolarHBondContact O-CB 3.37Å; I243-A246 PolarHBondContact O-N 3.08Å; I243-L247 HydrophobicContact CG2-CD1 4.31Å; I243-L247 HydrophobicContact CG2-CG 4.45Å; I243-L247 WeakPolarHBondContact O-CG 3.2Å; I243-L247 PolarHBondContact O-N 3.35Å; I243-L260 HydrophobicContact CG2-CD1 3.81Å; I243-L260 HydrophobicContact CG2-CD2 3.61Å; I243-L260 HydrophobicContact CG2-CG 4.36Å; I243-I265 HydrophobicContact CD1-CD1 3.66Å; I243-I265 HydrophobicContact CD1-CG1 4.49Å; I243-I265 HydrophobicContact CG1-CD1 4.28Å; I243-L275 HydrophobicContact CG1-CD2 4.26Å; I243-L275 HydrophobicContact CG2-CD2 4.29Å; I243-L320 HydrophobicContact CB-CD1 4.08Å; I243-L320 HydrophobicContact CG2-CD1 3.78Å; I243-V323 HydrophobicContact CD1-CG1 4.19Å
244A98.6Very high96.3Very high0 Ų019.6 Ų19.60%011%0.108CC..Hα-helixtrans-61.3-43.3178.800000112A240 A246 L247 G248 W317 L320 F383 I386A240-A244 WeakPolarHBondContact O-CB 3.28Å; A240-A244 PolarHBondContact O-N 3.41Å; A244-A246 VanDerWaalsContact C-N 3.33Å; A244-A246 PolarHBondContact O-N 2.84Å; A244-L247 PolarHBondContact O-N 3.44Å; A244-G248 PolarHBondContact O-N 2.82Å; A244-W317 HydrophobicContact CB-CZ3 4.11Å; A244-L320 HydrophobicContact CB-CD2 3.88Å; A244-F383 VanDerWaalsContact C-CE2 3.4Å; A244-F383 HydrophobicContact CB-CD2 4.22Å; A244-F383 HydrophobicContact CB-CE2 3.85Å; A244-F383 VanDerWaalsContact O-CD2 3.23Å; A244-F383 WeakPolarHBondContact O-CD2 3.33Å; A244-F383 WeakPolarHBondContact O-CE2 3.23Å; A244-I386 HydrophobicContact CB-CG2 3.84Å
245S97.7Very high96Very high7 Ų715.2 Ų15.25%0.0498%0.081CC..Hα-helixtrans-60.1-43.8174.8-175.70000111.7H193 A241 Q242 I243 G248 Y249 L401H193-S245 PolarHBondContact NE2-O 2.96Å; H193-S245 PolarHBondContact NE2-OG 3.39Å; A241-S245 WeakPolarHBondContact O-CB 3.42Å; A241-S245 PolarHBondContact O-N 2.98Å; Q242-S245 PolarHBondContact O-N 2.8Å; I243-S245 VanDerWaalsContact C-N 3.35Å; I243-S245 PolarHBondContact O-N 3.05Å; S245-G248 PolarHBondContact O-N 3.34Å; S245-Y249 PolarHBondContact O-N 3.32Å; S245-L401 WeakPolarHBondContact OG-CD2 3.25Å
246A97.5Very high95.8Very high0 Ų014.6 Ų14.60%08%0.079CC..Hα-helixtrans-64.1-44178.400000112.5H193 F195 L196 Q242 I243 A244 Y249 L250 L275H193-A246 WeakPolarHBondContact CE1-CA 3.44Å; H193-A246 PolarHBondContact CE1-N 2.81Å; F195-A246 HydrophobicContact CB-CB 4.16Å; L196-A246 HydrophobicContact CD2-CB 3.74Å; L196-A246 HydrophobicContact CG-CB 4.25Å; Q242-A246 WeakPolarHBondContact O-CB 3.48Å; Q242-A246 PolarHBondContact O-N 3.21Å; I243-A246 WeakPolarHBondContact O-CB 3.37Å; I243-A246 PolarHBondContact O-N 3.08Å; A244-A246 VanDerWaalsContact C-N 3.33Å; A244-A246 PolarHBondContact O-N 2.84Å; A246-Y249 PolarHBondContact O-N 3.23Å; A246-L250 WeakPolarHBondContact O-CG 3.11Å; A246-L250 PolarHBondContact O-N 2.91Å; A246-L250 VanDerWaalsContact O-N 3.07Å; A246-L275 HydrophobicContact CB-CD1 3.68Å; A246-L275 HydrophobicContact CB-CG 4.05Å
247L97.1Very high95.6Very high0 Ų014.7 Ų14.70%08%0.079CC..Hα-helixtrans-62.8-46.7174.4-71.4179.7000111.6I243 A244 Y249 L250 H251 Y257 L260 L275 D316 W317 L320I243-L247 HydrophobicContact CG2-CD1 4.31Å; I243-L247 HydrophobicContact CG2-CG 4.45Å; I243-L247 WeakPolarHBondContact O-CG 3.2Å; I243-L247 PolarHBondContact O-N 3.35Å; A244-L247 PolarHBondContact O-N 3.44Å; L247-Y249 VanDerWaalsContact C-N 3.27Å; L247-Y249 PolarHBondContact O-N 2.92Å; L247-L250 WeakPolarHBondContact O-CB 3.38Å; L247-L250 PolarHBondContact O-N 3.35Å; L247-H251 PolarHBondContact O-CD2 3.11Å; L247-H251 VanDerWaalsContact O-CD2 3.29Å; L247-H251 VanDerWaalsContact O-CG 3.26Å; L247-H251 PolarHBondContact O-N 3.17Å; L247-Y257 HydrophobicContact CD2-CG 4.31Å; L247-L260 HydrophobicContact CD1-CD2 3.96Å; L247-L275 HydrophobicContact CD2-CD1 4.33Å; L247-D316 HydrophobicContact CD1-CB 3.97Å; L247-D316 HydrophobicContact CD2-CB 3.95Å; L247-W317 HydrophobicContact CB-CH2 3.81Å; L247-W317 HydrophobicContact CB-CZ3 3.96Å; L247-W317 HydrophobicContact CD1-CE3 4.07Å; L247-W317 HydrophobicContact CD1-CZ3 3.87Å; L247-L320 HydrophobicContact CD1-CB 4.39Å
248G95.1Very high95.4Very high9 Ų914.5 Ų14.59%0.0938%0.078CC..Hα-helixtrans-57.1-40.417700000112.6A244 S245 H251 S252A244-G248 PolarHBondContact O-N 2.82Å; S245-G248 PolarHBondContact O-N 3.34Å; G248-H251 PolarHBondContact O-N 3.05Å; G248-S252 WeakPolarHBondContact O-CB 3.41Å; G248-S252 PolarHBondContact O-N 3.37Å
249Y94.5Very high95.2Very high48 Ų4814.5 Ų14.519%0.1888%0.079CC..Hα-helixtrans-61.8-48.4172.6178.5-91.3000112K189 H193 L196 S245 A246 L247 H251 S252 E253K189-Y249 WeakPolarHBondContact O-CE1 3.32Å; K189-Y249 PolarHBondContact O-OH 3.2Å; H193-Y249 HydrophobicContact CB-CD1 3.96Å; H193-Y249 HydrophobicContact CB-CD2 4.33Å; H193-Y249 HydrophobicContact CB-CE1 4.22Å; H193-Y249 HydrophobicContact CB-CG 4.01Å; H193-Y249 AromaticContact CD2-CD2 3.96Å; H193-Y249 AromaticContact CD2-CG 3.73Å; L196-Y249 HydrophobicContact CD1-CD1 3.62Å; L196-Y249 HydrophobicContact CD1-CE1 4.06Å; S245-Y249 PolarHBondContact O-N 3.32Å; A246-Y249 PolarHBondContact O-N 3.23Å; L247-Y249 VanDerWaalsContact C-N 3.27Å; L247-Y249 PolarHBondContact O-N 2.92Å; Y249-H251 VanDerWaalsContact C-N 3.34Å; Y249-H251 PolarHBondContact O-N 2.73Å; Y249-S252 WeakPolarHBondContact O-CB 3.45Å; Y249-S252 PolarHBondContact O-N 3.11Å; Y249-S252 PolarHBondContact O-OG 2.87Å; Y249-E253 HydrophobicContact CE1-CG 4.24Å; Y249-E253 PolarHBondContact O-N 2.91Å
250L93.2Very high95.1Very high0 Ų014.5 Ų14.50%08%0.079CC..Hα-helixtrans-60.5-42.5177.9-70.1174.3000112.1V186 L196 A246 L247 S252 E253 N254 I255 Y257 F278V186-L250 HydrophobicContact CG1-CD2 4.49Å; L196-L250 HydrophobicContact CD1-CD2 3.88Å; L196-L250 HydrophobicContact CD1-CG 4.09Å; L196-L250 HydrophobicContact CD2-CD1 4.18Å; L196-L250 HydrophobicContact CD2-CG 4.39Å; A246-L250 WeakPolarHBondContact O-CG 3.11Å; A246-L250 PolarHBondContact O-N 2.91Å; A246-L250 VanDerWaalsContact O-N 3.07Å; L247-L250 WeakPolarHBondContact O-CB 3.38Å; L247-L250 PolarHBondContact O-N 3.35Å; L250-S252 VanDerWaalsContact C-N 3.32Å; L250-S252 PolarHBondContact O-N 3.26Å; L250-E253 CarbonylContact O-C 3.52Å; L250-E253 WeakPolarHBondContact O-CA 3.41Å; L250-E253 WeakPolarHBondContact O-CB 3.26Å; L250-E253 PolarHBondContact O-N 3.32Å; L250-N254 PolarHBondContact O-N 2.93Å; L250-I255 CarbonylContact C-O 3.46Å; L250-I255 HydrophobicContact CB-CB 4.22Å; L250-I255 HydrophobicContact CB-CG2 4.47Å; L250-I255 HydrophobicContact CD2-CB 4.38Å; L250-I255 HydrophobicContact CD2-CD1 4.21Å; L250-I255 HydrophobicContact CD2-CG2 4.24Å; L250-I255 WeakPolarHBondContact O-CB 3.26Å; L250-I255 PolarHBondContact O-N 2.88Å; L250-Y257 HydrophobicContact CD1-CD2 3.86Å; L250-Y257 HydrophobicContact CD1-CG 4.36Å; L250-F278 HydrophobicContact CD1-CE1 4.36Å
251H92.8Very high95Very high9 Ų916 Ų164%0.0429%0.085CC..Hα-helixtrans-62.9-40177.2-65.8-178.6000111.3L247 G248 Y249 E253 N254 I255 F313 D316 W317 D382L247-H251 PolarHBondContact O-CD2 3.11Å; L247-H251 VanDerWaalsContact O-CD2 3.29Å; L247-H251 VanDerWaalsContact O-CG 3.26Å; L247-H251 PolarHBondContact O-N 3.17Å; G248-H251 PolarHBondContact O-N 3.05Å; Y249-H251 VanDerWaalsContact C-N 3.34Å; Y249-H251 PolarHBondContact O-N 2.73Å; H251-E253 PolarHBondContact O-N 2.84Å; H251-N254 WeakPolarHBondContact O-CA 3.16Å; H251-N254 PolarHBondContact O-N 2.85Å; H251-I255 PolarHBondContact CD2-O 3.36Å; H251-F313 HydrophobicContact CB-CD1 4.19Å; H251-F313 HydrophobicContact CB-CG 4.39Å; H251-F313 AromaticContact CD2-CD1 3.59Å; H251-F313 AromaticContact CG-CD1 3.8Å; H251-F313 AromaticContact CG-CG 4Å; H251-D316 IonicContact CD2-OD2 2.65Å; H251-D316 IonicContact NE2-OD2 2.75Å; H251-D316 PolarHBondContact NE2-OD2 2.8Å; H251-D316 VanDerWaalsContact NE2-OD2 3.12Å; H251-W317 AromaticContact CE1-CE2 3.65Å; H251-W317 AromaticContact CE1-CZ2 3.72Å; H251-W317 AromaticContact CE1-NE1 3.68Å; H251-W317 AromaticContact ND1-CE2 3.82Å; H251-W317 AromaticContact ND1-CZ2 3.58Å; H251-W317 AromaticContact ND1-NE1 3.8Å; H251-D382 WeakPolarHBondContact CB-OD1 3.16Å; H251-D382 IonicContact CE1-OD2 2.69Å; H251-D382 IonicContact CG-OD1 3.69Å; H251-D382 IonicContact CG-OD2 2.74Å; H251-D382 VanDerWaalsContact ND1-CG 3.32Å; H251-D382 IonicContact ND1-OD1 2.61Å; H251-D382 PolarHBondContact ND1-OD1 3.48Å; H251-D382 IonicContact ND1-OD2 3.09Å; H251-D382 PolarHBondContact ND1-OD2 2.74Å
252S90.9Very high94.9Very high79 Ų7916 Ų1655%0.5529%0.085SC*.Hα-helixtrans-61.1-27.9173.981.70000112.9G248 Y249 L250 N254G248-S252 WeakPolarHBondContact O-CB 3.41Å; G248-S252 PolarHBondContact O-N 3.37Å; Y249-S252 WeakPolarHBondContact O-CB 3.45Å; Y249-S252 PolarHBondContact O-N 3.11Å; Y249-S252 PolarHBondContact O-OG 2.87Å; L250-S252 VanDerWaalsContact C-N 3.32Å; L250-S252 PolarHBondContact O-N 3.26Å; S252-N254 VanDerWaalsContact C-N 3.3Å
253E89.5Confident94.7Very high63 Ų6318.8 Ų18.829%0.29410%0.099SC..THydrogen-bonded Turntrans-87.78.2173.8-75.6-63136.900114K189 Y249 L250 H251 I255K189-E253 PolarHBondContact NZ-O 2.79Å; K189-E253 IonicContact NZ-OE2 3.92Å; K189-E253 PolarHBondContact NZ-OE2 2.73Å; Y249-E253 HydrophobicContact CE1-CG 4.24Å; Y249-E253 PolarHBondContact O-N 2.91Å; L250-E253 CarbonylContact O-C 3.52Å; L250-E253 WeakPolarHBondContact O-CA 3.41Å; L250-E253 WeakPolarHBondContact O-CB 3.26Å; L250-E253 PolarHBondContact O-N 3.32Å; H251-E253 PolarHBondContact O-N 2.84Å; E253-I255 VanDerWaalsContact C-N 3.34Å; E253-I255 HydrophobicContact CB-CD1 3.94Å; E253-I255 HydrophobicContact CB-CG1 4.34Å
254N89.8Confident94.6Very high51 Ų5119.2 Ų19.227%0.27310%0.101SC..THydrogen-bonded Turntrans57.140.6-173.6-63.1-82000113.4L250 H251 S252 N284 S287L250-N254 PolarHBondContact O-N 2.93Å; H251-N254 WeakPolarHBondContact O-CA 3.16Å; H251-N254 PolarHBondContact O-N 2.85Å; S252-N254 VanDerWaalsContact C-N 3.3Å; N254-N284 HydrophobicContact CB-CB 4.34Å; N254-N284 PolarHBondContact O-N 3.26Å; N254-S287 WeakPolarHBondContact OD1-CA 3.4Å
255I91.2Very high94.6Very high0 Ų019.2 Ų19.20%010%0.101CC..EExtended strand (participates in β ladder)trans-114.7124.4177.9-62.4163.7000109V186 K189 L250 H251 E253 C281 K282 Q283V186-I255 HydrophobicContact CB-CD1 4.41Å; V186-I255 HydrophobicContact CG1-CD1 4.16Å; V186-I255 HydrophobicContact CG1-CG2 4.24Å; V186-I255 HydrophobicContact CG2-CD1 4.02Å; V186-I255 HydrophobicContact CG2-CG1 4.32Å; V186-I255 HydrophobicContact CG2-CG2 4.07Å; K189-I255 HydrophobicContact CB-CD1 4.33Å; K189-I255 HydrophobicContact CD-CD1 3.81Å; L250-I255 CarbonylContact C-O 3.46Å; L250-I255 HydrophobicContact CB-CB 4.22Å; L250-I255 HydrophobicContact CB-CG2 4.47Å; L250-I255 HydrophobicContact CD2-CB 4.38Å; L250-I255 HydrophobicContact CD2-CD1 4.21Å; L250-I255 HydrophobicContact CD2-CG2 4.24Å; L250-I255 WeakPolarHBondContact O-CB 3.26Å; L250-I255 PolarHBondContact O-N 2.88Å; H251-I255 PolarHBondContact CD2-O 3.36Å; E253-I255 VanDerWaalsContact C-N 3.34Å; E253-I255 HydrophobicContact CB-CD1 3.94Å; E253-I255 HydrophobicContact CB-CG1 4.34Å; I255-C281 HydrophobicContact CG2-CB 3.94Å; I255-K282 WeakPolarHBondContact CA-O 3.37Å; I255-Q283 HydrophobicContact CG1-CB 4.42Å; I255-Q283 HydrophobicContact CG1-CG 4.25Å
256I93.6Very high94.5Very high0 Ų020.6 Ų20.60%011%0.107CC..EExtended strand (participates in β ladder)trans-93.4128.8167.7-45.3168.9000107.6R258 C281 K282 T291 F313 V315 D316I256-R258 HydrophobicContact CB-CG 3.91Å; I256-R258 HydrophobicContact CG2-CG 3.39Å; I256-C281 CarbonylContact O-C 3.51Å; I256-C281 VanDerWaalsContact O-CA 3.27Å; I256-C281 WeakPolarHBondContact O-CA 3.36Å; I256-K282 PolarHBondContact N-O 3.25Å; I256-K282 PolarHBondContact O-N 3.33Å; I256-T291 HydrophobicContact CD1-CG2 4.14Å; I256-F313 HydrophobicContact CB-CD1 4.29Å; I256-F313 HydrophobicContact CD1-CD1 4.44Å; I256-F313 HydrophobicContact CD1-CE1 4.49Å; I256-F313 HydrophobicContact CG1-CD1 3.43Å; I256-F313 VanDerWaalsContact CG1-CD1 3.43Å; I256-F313 HydrophobicContact CG1-CE1 3.5Å; I256-F313 HydrophobicContact CG1-CG 4.4Å; I256-V315 HydrophobicContact CG2-CG2 3.83Å; I256-D316 VanDerWaalsContact CG2-OD2 3.28Å; I256-D316 WeakPolarHBondContact CG2-OD2 3.35Å
257Y94.8Very high94.5Very high1 Ų120.6 Ų20.60%0.00411%0.107CC..  trans-77.1-46.6-176.5-174.9-100000112.9L247 L250 D259 L260 N264 T276 D277 F278 C281 D316L247-Y257 HydrophobicContact CD2-CG 4.31Å; L250-Y257 HydrophobicContact CD1-CD2 3.86Å; L250-Y257 HydrophobicContact CD1-CG 4.36Å; Y257-D259 WeakPolarHBondContact CE1-O 3.5Å; Y257-D259 PolarHBondContact O-N 3.39Å; Y257-D259 VanDerWaalsContact O-N 3.09Å; Y257-L260 HydrophobicContact CD1-CB 3.82Å; Y257-L260 HydrophobicContact CE1-CB 3.94Å; Y257-L260 HydrophobicContact CE1-CD1 4.29Å; Y257-N264 WeakPolarHBondContact OH-CB 3.4Å; Y257-T276 PolarHBondContact OH-O 2.84Å; Y257-D277 PolarHBondContact OH-O 3.46Å; Y257-F278 HydrophobicContact CD2-CD1 4.04Å; Y257-F278 HydrophobicContact CD2-CE1 4.26Å; Y257-F278 AromaticContact CE2-CD1 3.8Å; Y257-F278 HydrophobicContact CE2-CD1 3.8Å; Y257-F278 AromaticContact CE2-CE1 3.96Å; Y257-F278 HydrophobicContact CE2-CE1 3.96Å; Y257-C281 VanDerWaalsContact CD2-SG 3.51Å; Y257-D316 PolarHBondContact N-OD2 3.21Å
258R94.1Very high94.5Very high23 Ų2321.6 Ų21.69%0.08711%0.113CC..  trans66.5-8.7170.6-54.1-169.9-63.2170.11118.7I256 L280 C295 Y311 V315 D316I256-R258 HydrophobicContact CB-CG 3.91Å; I256-R258 HydrophobicContact CG2-CG 3.39Å; R258-L280 PolarHBondContact NE-O 2.62Å; R258-L280 PolarHBondContact NH2-O 2.99Å; R258-C295 PolarHBondContact NH1-SG 3.27Å; R258-Y311 WeakPolarHBondContact CD-OH 3.48Å; R258-Y311 HydrophobicContact CG-CE2 4.32Å; R258-Y311 PolarHBondContact NH1-OH 3.03Å; R258-V315 HydrophobicContact CG-CG2 4.49Å; R258-D316 WeakPolarHBondContact CA-OD1 3.14Å; R258-D316 PolarHBondContact N-OD1 2.9Å
259D94Very high94.5Very high12 Ų1224 Ų246%0.06413%0.129CC..  trans-132.441.8177.8-16141.8000112.6Y257 K261 N264 L280 T297Y257-D259 WeakPolarHBondContact CE1-O 3.5Å; Y257-D259 PolarHBondContact O-N 3.39Å; Y257-D259 VanDerWaalsContact O-N 3.09Å; D259-K261 PolarHBondContact O-N 2.81Å; D259-K261 IonicContact OD1-NZ 3.54Å; D259-K261 PolarHBondContact OD1-NZ 3.11Å; D259-K261 IonicContact OD2-NZ 2.8Å; D259-K261 PolarHBondContact OD2-NZ 3.41Å; D259-N264 PolarHBondContact O-ND2 2.87Å; D259-N264 PolarHBondContact OD2-ND2 3.46Å; D259-L280 HydrophobicContact CB-CB 4.06Å; D259-L280 HydrophobicContact CB-CD1 3.64Å; D259-L280 HydrophobicContact CB-CG 4.35Å; D259-T297 PolarHBondContact OD1-N 3.18Å; D259-T297 PolarHBondContact OD1-OG1 2.86Å
260L97.7Very high94.5Very high0 Ų028.1 Ų28.10%015%0.147CC..  trans-72.8115.2176.2-178.171.3000110.4I243 L247 Y257 I265 L275 C319 L320 V323I243-L260 HydrophobicContact CG2-CD1 3.81Å; I243-L260 HydrophobicContact CG2-CD2 3.61Å; I243-L260 HydrophobicContact CG2-CG 4.36Å; L247-L260 HydrophobicContact CD1-CD2 3.96Å; Y257-L260 HydrophobicContact CD1-CB 3.82Å; Y257-L260 HydrophobicContact CE1-CB 3.94Å; Y257-L260 HydrophobicContact CE1-CD1 4.29Å; L260-I265 HydrophobicContact CD1-CD1 3.88Å; L260-I265 HydrophobicContact CD1-CG1 4.02Å; L260-L275 HydrophobicContact CD1-CD1 4.48Å; L260-L275 HydrophobicContact CD1-CD2 3.66Å; L260-C319 HydrophobicContact CB-CB 3.72Å; L260-C319 HydrophobicContact CD2-CB 4.13Å; L260-C319 HydrophobicContact CG-CB 4.3Å; L260-L320 HydrophobicContact CD2-CB 4.17Å; L260-V323 HydrophobicContact CD2-CG2 4.48Å; L260-V323 HydrophobicContact CG-CG2 4.18Å
261K96.7Very high94.7Very high32 Ų3228.1 Ų28.114%0.13915%0.147CC..  trans-153.3157.9178.164.5-169.9-174.5-143.80110.4D259 E263 N264 I265 T297 Y300D259-K261 PolarHBondContact O-N 2.81Å; D259-K261 IonicContact OD1-NZ 3.54Å; D259-K261 PolarHBondContact OD1-NZ 3.11Å; D259-K261 IonicContact OD2-NZ 2.8Å; D259-K261 PolarHBondContact OD2-NZ 3.41Å; K261-E263 VanDerWaalsContact CB-OE2 3.3Å; K261-E263 WeakPolarHBondContact CB-OE2 3.35Å; K261-E263 HydrophobicContact CD-CB 4.5Å; K261-E263 WeakPolarHBondContact CD-OE2 3.19Å; K261-E263 HydrophobicContact CG-CB 4.25Å; K261-E263 WeakPolarHBondContact CG-OE2 3.4Å; K261-E263 PolarHBondContact O-N 2.88Å; K261-E263 VanDerWaalsContact O-N 3.15Å; K261-N264 WeakPolarHBondContact CE-OD1 3.41Å; K261-N264 HydrophobicContact CG-CB 4.15Å; K261-N264 PolarHBondContact O-N 2.91Å; K261-I265 WeakPolarHBondContact O-CG1 3.34Å; K261-T297 HydrophobicContact CD-CG2 4.13Å; K261-T297 VanDerWaalsContact CD-OG1 3.26Å; K261-T297 WeakPolarHBondContact CD-OG1 3.22Å; K261-T297 PolarHBondContact NZ-OG1 2.88Å; K261-Y300 HydrophobicContact CB-CD1 4.42Å; K261-Y300 HydrophobicContact CB-CD2 3.9Å; K261-Y300 HydrophobicContact CB-CE1 4.19Å; K261-Y300 HydrophobicContact CB-CE2 3.6Å; K261-Y300 HydrophobicContact CB-CG 4.3Å
262P97.3Very high95Very high0 Ų028.1 Ų28.10%015%0.147CC..G310 helixtrans-57.5-25.9-177.9-24.836.3000115L221 F222 I225 I265 Y300 V323 E326L221-P262 HydrophobicContact CB-CB 4.29Å; L221-P262 WeakPolarHBondContact CB-O 3.23Å; L221-P262 PolarHBondContact N-O 3.42Å; F222-P262 HydrophobicContact CB-CB 3.81Å; F222-P262 HydrophobicContact CD2-CB 4.32Å; F222-P262 PolarHBondContact N-O 2.76Å; F222-P262 VanDerWaalsContact N-O 3.16Å; I225-P262 HydrophobicContact CD1-CB 4.09Å; I225-P262 HydrophobicContact CD1-CG 4.15Å; P262-I265 PolarHBondContact O-N 3Å; P262-Y300 WeakPolarHBondContact CD-OH 3.47Å; P262-V323 HydrophobicContact CG-CG2 4.47Å; P262-E326 WeakPolarHBondContact CG-OE2 3.36Å
263E94.4Very high95.3Very high59 Ų5924.5 Ų24.528%0.27612%0.122SC..G310 helixtrans-70.1-32.7176.4-57.889.9152.100112F222 K261 I265F222-E263 HydrophobicContact CB-CG 3.99Å; F222-E263 HydrophobicContact CD1-CG 4.5Å; F222-E263 HydrophobicContact CD2-CG 4.4Å; F222-E263 HydrophobicContact CG-CG 4.05Å; K261-E263 VanDerWaalsContact CB-OE2 3.3Å; K261-E263 WeakPolarHBondContact CB-OE2 3.35Å; K261-E263 HydrophobicContact CD-CB 4.5Å; K261-E263 WeakPolarHBondContact CD-OE2 3.19Å; K261-E263 HydrophobicContact CG-CB 4.25Å; K261-E263 WeakPolarHBondContact CG-OE2 3.4Å; K261-E263 PolarHBondContact O-N 2.88Å; K261-E263 VanDerWaalsContact O-N 3.15Å; E263-I265 VanDerWaalsContact C-N 3.29Å; E263-I265 PolarHBondContact O-N 3.21Å
264N95.8Very high95.7Very high11 Ų1121.9 Ų21.96%0.05911%0.11CC..G310 helixtrans-870.7179.3-69.8-7.1000112.9Y257 D259 K261 T276Y257-N264 WeakPolarHBondContact OH-CB 3.4Å; D259-N264 PolarHBondContact O-ND2 2.87Å; D259-N264 PolarHBondContact OD2-ND2 3.46Å; K261-N264 WeakPolarHBondContact CE-OD1 3.41Å; K261-N264 HydrophobicContact CG-CB 4.15Å; K261-N264 PolarHBondContact O-N 2.91Å; N264-T276 PolarHBondContact O-N 3.39Å; N264-T276 PolarHBondContact O-OG1 2.74Å
265I98Very high96.1Very high0 Ų019.5 Ų19.50%010%0.097CC..EExtended strand (participates in β ladder)trans-107.9110.8177.6-57.2159.1000108L221 I243 L260 K261 P262 E263 A273 L275 V323L221-I265 HydrophobicContact CB-CB 3.93Å; L221-I265 HydrophobicContact CB-CG2 4.04Å; L221-I265 WeakPolarHBondContact CB-O 3.18Å; L221-I265 HydrophobicContact CD2-CB 4.18Å; L221-I265 HydrophobicContact CD2-CD1 3.8Å; L221-I265 HydrophobicContact CD2-CG2 4.03Å; L221-I265 PolarHBondContact N-O 2.96Å; I243-I265 HydrophobicContact CD1-CD1 3.66Å; I243-I265 HydrophobicContact CD1-CG1 4.49Å; I243-I265 HydrophobicContact CG1-CD1 4.28Å; L260-I265 HydrophobicContact CD1-CD1 3.88Å; L260-I265 HydrophobicContact CD1-CG1 4.02Å; K261-I265 WeakPolarHBondContact O-CG1 3.34Å; P262-I265 PolarHBondContact O-N 3Å; E263-I265 VanDerWaalsContact C-N 3.29Å; E263-I265 PolarHBondContact O-N 3.21Å; I265-A273 HydrophobicContact CG2-CB 3.79Å; I265-L275 HydrophobicContact CG1-CD2 3.67Å; I265-V323 HydrophobicContact CD1-CG1 3.89Å; I265-V323 HydrophobicContact CD1-CG2 4.37Å
266L97.2Very high96.2Very high35 Ų3520.5 Ų20.518%0.18310%0.103CC..EExtended strand (participates in β ladder)trans-99.1145.2175.5-60.1-171.4000110.6I216 E220 A273 I274 T276I216-L266 HydrophobicContact CB-CB 4.04Å; I216-L266 HydrophobicContact CB-CD1 3.94Å; I216-L266 HydrophobicContact CD1-CB 4.44Å; I216-L266 HydrophobicContact CD1-CD1 4.35Å; I216-L266 HydrophobicContact CG2-CB 3.46Å; I216-L266 VanDerWaalsContact CG2-CB 3.46Å; I216-L266 HydrophobicContact CG2-CD1 4.3Å; E220-L266 HydrophobicContact CB-CD2 4.11Å; E220-L266 HydrophobicContact CG-CD2 3.45Å; E220-L266 VanDerWaalsContact CG-CD2 3.45Å; L266-A273 CarbonylContact O-C 3.43Å; L266-A273 WeakPolarHBondContact O-CA 3.46Å; L266-I274 PolarHBondContact N-O 2.54Å; L266-I274 PolarHBondContact O-N 3.28Å; L266-T276 HydrophobicContact CB-CG2 4.14Å; L266-T276 HydrophobicContact CD1-CG2 3.75Å; L266-T276 HydrophobicContact CG-CG2 3.7Å
267L97.6Very high96Very high0 Ų024 Ų240%012%0.121CC..EExtended strand (participates in β ladder)trans-89.4136.7167-58.8-171.3000109.7I216 G218 G219 L221 Y239 Y272 A273 F409 P411I216-L267 VanDerWaalsContact CG2-C 3.47Å; I216-L267 WeakPolarHBondContact CG2-O 3.34Å; G218-L267 CarbonylContact C-O 3.57Å; G218-L267 WeakPolarHBondContact CA-O 3.46Å; G218-L267 PolarHBondContact N-O 3.45Å; G219-L267 PolarHBondContact O-N 2.9Å; L221-L267 HydrophobicContact CD1-CD2 4.26Å; Y239-L267 HydrophobicContact CD1-CD2 4.21Å; Y239-L267 HydrophobicContact CE1-CD1 4.48Å; Y239-L267 HydrophobicContact CE1-CD2 3.7Å; Y239-L267 WeakPolarHBondContact OH-CD1 3.16Å; L267-Y272 CarbonylContact C-O 3.43Å; L267-Y272 VanDerWaalsContact CA-O 3.27Å; L267-Y272 WeakPolarHBondContact CA-O 3.23Å; L267-A273 HydrophobicContact CD2-CB 4.01Å; L267-F409 HydrophobicContact CD1-CD1 3.88Å; L267-F409 HydrophobicContact CD1-CE1 3.9Å; L267-P411 HydrophobicContact CB-CG 3.92Å; L267-P411 HydrophobicContact CD1-CG 4.21Å
268D96Very high95.7Very high21 Ų2124.1 Ų24.111%0.11212%0.122CC..  trans-84.217516869.126.4000112.5I216 K270 G271 Y272 I274 R403 P411I216-D268 HydrophobicContact CG2-CB 4.03Å; D268-K270 PolarHBondContact O-N 2.61Å; D268-K270 WeakPolarHBondContact OD1-CA 3.3Å; D268-K270 WeakPolarHBondContact OD1-CB 3.46Å; D268-K270 PolarHBondContact OD1-N 2.94Å; D268-G271 PolarHBondContact O-N 3.31Å; D268-G271 PolarHBondContact OD1-N 2.7Å; D268-G271 VanDerWaalsContact OD1-N 3.15Å; D268-Y272 PolarHBondContact N-O 2.78Å; D268-Y272 PolarHBondContact OD1-N 2.67Å; D268-I274 HydrophobicContact CB-CG1 4.37Å; D268-R403 IonicContact OD1-NH2 3.21Å; D268-R403 PolarHBondContact OD1-NH2 3.22Å; D268-R403 IonicContact OD2-CZ 3.97Å; D268-R403 IonicContact OD2-NH1 2.84Å; D268-R403 PolarHBondContact OD2-NH1 3.46Å; D268-R403 IonicContact OD2-NH2 3.87Å; D268-R403 PolarHBondContact OD2-NH2 2.8Å; D268-P411 WeakPolarHBondContact O-CG 3.41Å
269S94.7Very high95.2Very high61 Ų6123.9 Ų23.943%0.42713%0.127SC..THydrogen-bonded Turntrans-61.7-15.6-178.967.90000114.2
270K95.7Very high94.6Very high134 Ų13426.1 Ų26.158%0.58314%0.138SC*.THydrogen-bonded Turntrans-96.73.6175.5-62.3-176.5179.5-179.10112.2D268 Y272 A407 L410D268-K270 PolarHBondContact O-N 2.61Å; D268-K270 WeakPolarHBondContact OD1-CA 3.3Å; D268-K270 WeakPolarHBondContact OD1-CB 3.46Å; D268-K270 PolarHBondContact OD1-N 2.94Å; K270-Y272 HydrophobicContact CB-CD2 3.92Å; K270-Y272 HydrophobicContact CB-CE2 4.35Å; K270-A407 VanDerWaalsContact O-CB 3.23Å; K270-A407 WeakPolarHBondContact O-CB 3.38Å; K270-L410 WeakPolarHBondContact O-CD2 3.29Å
271G97Very high94Very high0 Ų026.3 Ų26.30%014%0.14CC..SBendtrans79.715.3178.100000114.9Y239 D268 F409Y239-G271 WeakPolarHBondContact CE1-O 3.35Å; D268-G271 PolarHBondContact O-N 3.31Å; D268-G271 PolarHBondContact OD1-N 2.7Å; D268-G271 VanDerWaalsContact OD1-N 3.15Å; G271-F409 WeakPolarHBondContact CA-O 3.47Å
272Y98.3Very high93.3Very high9 Ų928.9 Ų28.94%0.03515%0.151CC..  trans-86.9142.6174.5-75.5-100.8000110.9F195 F238 Q242 L267 D268 K270 R403 L405F195-Y272 HydrophobicContact CD1-CD1 4.31Å; F195-Y272 AromaticContact CE1-CD1 3.46Å; F195-Y272 HydrophobicContact CE1-CD1 3.46Å; F195-Y272 VanDerWaalsContact CE1-CD1 3.46Å; F195-Y272 HydrophobicContact CE1-CE1 4.02Å; F195-Y272 HydrophobicContact CE1-CG 4.41Å; F195-Y272 HydrophobicContact CZ-CD1 4.15Å; F195-Y272 HydrophobicContact CZ-CE1 4.33Å; F238-Y272 HydrophobicContact CE2-CE1 4.4Å; F238-Y272 HydrophobicContact CZ-CD1 4.02Å; F238-Y272 AromaticContact CZ-CE1 3.87Å; F238-Y272 HydrophobicContact CZ-CE1 3.87Å; F238-Y272 HydrophobicContact CZ-CE2 4.49Å; F238-Y272 HydrophobicContact CZ-CG 4.44Å; Q242-Y272 VanDerWaalsContact OE1-CA 3.23Å; Q242-Y272 VanDerWaalsContact OE1-CB 3.3Å; L267-Y272 CarbonylContact C-O 3.43Å; L267-Y272 VanDerWaalsContact CA-O 3.27Å; L267-Y272 WeakPolarHBondContact CA-O 3.23Å; D268-Y272 PolarHBondContact N-O 2.78Å; D268-Y272 PolarHBondContact OD1-N 2.67Å; K270-Y272 HydrophobicContact CB-CD2 3.92Å; K270-Y272 HydrophobicContact CB-CE2 4.35Å; Y272-R403 HydrophobicContact CD1-CG 4.42Å; Y272-R403 HydrophobicContact CE1-CB 4.02Å; Y272-R403 HydrophobicContact CE1-CG 4.12Å; Y272-R403 HydrophobicContact CE2-CB 4.44Å; Y272-R403 VanDerWaalsContact OH-CA 3.3Å; Y272-R403 WeakPolarHBondContact OH-CA 3.25Å; Y272-R403 PolarHBondContact OH-O 2.62Å; Y272-R403 VanDerWaalsContact OH-O 3.04Å; Y272-L405 PolarHBondContact OH-N 3.13Å; Y272-L405 PolarHBondContact OH-O 3.43Å
273A98.5Very high92.5Very high2 Ų232.5 Ų32.52%0.01717%0.168CC..EExtended strand (participates in β ladder)trans-82.8128.3175.900000110.8Y239 Q242 I265 L266 L267Y239-A273 HydrophobicContact CD1-CB 3.94Å; Y239-A273 HydrophobicContact CG-CB 4.5Å; Q242-A273 HydrophobicContact CB-CB 4.4Å; I265-A273 HydrophobicContact CG2-CB 3.79Å; L266-A273 CarbonylContact O-C 3.43Å; L266-A273 WeakPolarHBondContact O-CA 3.46Å; L267-A273 HydrophobicContact CD2-CB 4.01Å
274I97.9Very high91.6Very high9 Ų930.2 Ų30.25%0.04616%0.158CC..EExtended strand (participates in β ladder)trans-123.7125.5-177.8-47.5-61.2000108.2P194 F195 C197 I216 L266 D268P194-I274 WeakPolarHBondContact O-CD1 3.38Å; F195-I274 HydrophobicContact CD1-CD1 4.4Å; C197-I274 HydrophobicContact CB-CG2 4.16Å; I216-I274 HydrophobicContact CD1-CB 3.85Å; I216-I274 HydrophobicContact CD1-CG1 4.34Å; I216-I274 HydrophobicContact CD1-CG2 3.55Å; I216-I274 HydrophobicContact CG2-CG1 4.33Å; L266-I274 PolarHBondContact N-O 2.54Å; L266-I274 PolarHBondContact O-N 3.28Å; D268-I274 HydrophobicContact CB-CG1 4.37Å
275L97.5Very high90.2Very high1 Ų136.1 Ų36.11%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-74.3134172.3-57-171.9000110.2F195 L196 C197 I243 A246 L247 L260 I265F195-L275 PolarHBondContact O-N 3.05Å; L196-L275 HydrophobicContact CD2-CB 3.88Å; L196-L275 HydrophobicContact CD2-CD1 4.08Å; L196-L275 HydrophobicContact CD2-CG 4.27Å; C197-L275 WeakPolarHBondContact CB-O 3.39Å; C197-L275 PolarHBondContact N-O 3.17Å; I243-L275 HydrophobicContact CG1-CD2 4.26Å; I243-L275 HydrophobicContact CG2-CD2 4.29Å; A246-L275 HydrophobicContact CB-CD1 3.68Å; A246-L275 HydrophobicContact CB-CG 4.05Å; L247-L275 HydrophobicContact CD2-CD1 4.33Å; L260-L275 HydrophobicContact CD1-CD1 4.48Å; L260-L275 HydrophobicContact CD1-CD2 3.66Å; I265-L275 HydrophobicContact CG1-CD2 3.67Å
276T94.2Very high88.5Confident20 Ų2038.6 Ų38.612%0.12322%0.221CC..  trans-123-173.5178.767.30000110.2C197 I216 Y257 N264 L266C197-T276 HydrophobicContact CB-CG2 4.07Å; I216-T276 HydrophobicContact CD1-CG2 3.71Å; Y257-T276 PolarHBondContact OH-O 2.84Å; N264-T276 PolarHBondContact O-N 3.39Å; N264-T276 PolarHBondContact O-OG1 2.74Å; L266-T276 HydrophobicContact CB-CG2 4.14Å; L266-T276 HydrophobicContact CD1-CG2 3.75Å; L266-T276 HydrophobicContact CG-CG2 3.7Å
277D88.8Confident86.7Confident73 Ų7341.4 Ų41.439%0.3924%0.243SC..  trans43.186177-159.7-3.9000116.5Y257 G279Y257-D277 PolarHBondContact OH-O 3.46Å; D277-G279 VanDerWaalsContact C-N 3.3Å; D277-G279 PolarHBondContact O-N 2.77Å; D277-G279 PolarHBondContact OD1-N 3.09Å
278F88.5Confident84.9Confident4 Ų449.8 Ų49.82%0.01828%0.282CS..  trans-91.314.8179.1-57.9-88.2000112.9E183 V186 L187 L196 C197 L250 Y257 L280 C281E183-F278 HydrophobicContact CG-CB 4.15Å; V186-F278 HydrophobicContact CB-CB 4.42Å; V186-F278 HydrophobicContact CG1-CB 3.88Å; V186-F278 HydrophobicContact CG1-CD1 3.6Å; V186-F278 HydrophobicContact CG1-CE1 4.4Å; V186-F278 HydrophobicContact CG1-CG 3.89Å; L187-F278 HydrophobicContact CD2-CD2 3.43Å; L187-F278 VanDerWaalsContact CD2-CD2 3.43Å; L187-F278 HydrophobicContact CD2-CE2 3.58Å; L187-F278 HydrophobicContact CD2-CG 4.46Å; L187-F278 HydrophobicContact CG-CD2 3.87Å; L187-F278 HydrophobicContact CG-CE2 4.46Å; L196-F278 HydrophobicContact CB-CZ 4.27Å; L196-F278 HydrophobicContact CD2-CE1 3.99Å; L196-F278 HydrophobicContact CD2-CZ 4.01Å; C197-F278 HydrophobicContact CB-CE2 4.31Å; L250-F278 HydrophobicContact CD1-CE1 4.36Å; Y257-F278 HydrophobicContact CD2-CD1 4.04Å; Y257-F278 HydrophobicContact CD2-CE1 4.26Å; Y257-F278 AromaticContact CE2-CD1 3.8Å; Y257-F278 HydrophobicContact CE2-CD1 3.8Å; Y257-F278 AromaticContact CE2-CE1 3.96Å; Y257-F278 HydrophobicContact CE2-CE1 3.96Å; F278-L280 PolarHBondContact O-N 2.9Å; F278-L280 VanDerWaalsContact O-N 3.17Å; F278-C281 HydrophobicContact CB-CB 4.4Å; F278-C281 VanDerWaalsContact O-CB 3.3Å; F278-C281 WeakPolarHBondContact O-CB 3.39Å; F278-C281 PolarHBondContact O-N 2.73Å
279G83.2Confident83.7Confident18 Ų1850.5 Ų50.519%0.18629%0.289CS..THydrogen-bonded Turntrans-61.9-25.3-172.600000114.8D277D277-G279 VanDerWaalsContact C-N 3.3Å; D277-G279 PolarHBondContact O-N 2.77Å; D277-G279 PolarHBondContact OD1-N 3.09Å
280L81.6Confident83.1Confident59 Ų5951.1 Ų51.131%0.30929%0.29SS..THydrogen-bonded Turntrans-101.23.1177.4-66.9-179.7000113.8R258 D259 F278 C295R258-L280 PolarHBondContact NE-O 2.62Å; R258-L280 PolarHBondContact NH2-O 2.99Å; D259-L280 HydrophobicContact CB-CB 4.06Å; D259-L280 HydrophobicContact CB-CD1 3.64Å; D259-L280 HydrophobicContact CB-CG 4.35Å; F278-L280 PolarHBondContact O-N 2.9Å; F278-L280 VanDerWaalsContact O-N 3.17Å; L280-C295 HydrophobicContact CD2-CB 4.35Å
281C85.8Confident82.6Confident5 Ų545.4 Ų45.43%0.03427%0.267CS..  trans-62.8141.7179.1-72.50000111.8V186 I255 I256 Y257 F278V186-C281 HydrophobicContact CB-CB 4.43Å; V186-C281 HydrophobicContact CG1-CB 4.16Å; V186-C281 HydrophobicContact CG2-CB 3.82Å; I255-C281 HydrophobicContact CG2-CB 3.94Å; I256-C281 CarbonylContact O-C 3.51Å; I256-C281 VanDerWaalsContact O-CA 3.27Å; I256-C281 WeakPolarHBondContact O-CA 3.36Å; Y257-C281 VanDerWaalsContact CD2-SG 3.51Å; F278-C281 HydrophobicContact CB-CB 4.4Å; F278-C281 VanDerWaalsContact O-CB 3.3Å; F278-C281 WeakPolarHBondContact O-CB 3.39Å; F278-C281 PolarHBondContact O-N 2.73Å
282K82Confident82Confident86 Ų8651 Ų5137%0.37430%0.296SS..EExtended strand (participates in β ladder)trans-118117.7174.2-174.964.7175.9-179.50110I255 I256I255-K282 WeakPolarHBondContact CA-O 3.37Å; I256-K282 PolarHBondContact N-O 3.25Å; I256-K282 PolarHBondContact O-N 3.33Å
283Q80Confident81.4Confident75 Ų7554 Ų5435%0.3532%0.315SS..EExtended strand (participates in β ladder)trans-82.7125167.2-166.2179-9.600109.8K189 I255K189-Q283 VanDerWaalsContact CE-NE2 3.34Å; I255-Q283 HydrophobicContact CG1-CB 4.42Å; I255-Q283 HydrophobicContact CG1-CG 4.25Å
284N75.7Confident80.8Confident11 Ų1159.2 Ų59.26%0.05934%0.337CS..  trans-92.2130.9178.7-83.5-8.5000110N254 A286 S289N254-N284 HydrophobicContact CB-CB 4.34Å; N254-N284 PolarHBondContact O-N 3.26Å; N284-A286 PolarHBondContact O-N 3.04Å; N284-S289 WeakPolarHBondContact CB-OG 3.48Å; N284-S289 PolarHBondContact ND2-O 2.6Å; N284-S289 PolarHBondContact ND2-OG 3.46Å; N284-S289 VanDerWaalsContact ND2-OG 3.12Å; N284-S289 PolarHBondContact OD1-OG 2.95Å
285S65.3Low80.3Confident135 Ų13559.7 Ų59.794%0.94434%0.341SS*.SBendtrans-74.6-15.5-178.4-53.20000113.4
286A62.2Low79.7Confident53 Ų5360.8 Ų60.844%0.43835%0.353SS..SBendtrans-140143.7178.800000110.1N284 Q288 S289N284-A286 PolarHBondContact O-N 3.04Å; A286-Q288 PolarHBondContact O-N 3.29Å; A286-S289 PolarHBondContact O-N 3.41Å; A286-S289 PolarHBondContact O-OG 3.44Å
287S59.1Low79.4Confident94 Ų9461.1 Ų61.166%0.65736%0.355SS*.THydrogen-bonded Turntrans-56.4131.1169.1280000109.3N254N254-S287 WeakPolarHBondContact OD1-CA 3.4Å
288Q60.9Low79.6Confident176 Ų17659.3 Ų59.382%0.82235%0.348SS*.THydrogen-bonded Turntrans72.214.2-175.1-50.2177.3-21.500117.1A286A286-Q288 PolarHBondContact O-N 3.29Å
289S70.9Confident79.9Confident35 Ų3561.5 Ų61.525%0.24536%0.358CS..  trans-70.1138.3173.769.50000111.9N284 A286N284-S289 WeakPolarHBondContact CB-OG 3.48Å; N284-S289 PolarHBondContact ND2-O 2.6Å; N284-S289 PolarHBondContact ND2-OG 3.46Å; N284-S289 VanDerWaalsContact ND2-OG 3.12Å; N284-S289 PolarHBondContact OD1-OG 2.95Å; A286-S289 PolarHBondContact O-N 3.41Å; A286-S289 PolarHBondContact O-OG 3.44Å
290T81.8Confident80.6Confident75 Ų7561.1 Ų61.146%0.4635%0.351SS..  trans-94.9159.3173.653.80000111.4P310 Y311 D312T290-P310 HydrophobicContact CG2-CB 4.07Å; T290-P310 WeakPolarHBondContact OG1-CB 3.41Å; T290-Y311 CarbonylContact C-O 3.52Å; T290-Y311 WeakPolarHBondContact CA-O 3.41Å; T290-Y311 WeakPolarHBondContact CB-O 3.2Å; T290-D312 HydrophobicContact CG2-CB 4.44Å
291T84.8Confident81.3Confident14 Ų1458.5 Ų58.59%0.08634%0.337CS..BIsolated β-bridgetrans-127.4160172.9177.60000110.7I256 T293 P310 Y311I256-T291 HydrophobicContact CD1-CG2 4.14Å; T291-T293 PolarHBondContact OG1-N 3.01Å; T291-T293 PolarHBondContact OG1-OG1 2.86Å; T291-P310 WeakPolarHBondContact O-CA 3.19Å; T291-Y311 HydrophobicContact CG2-CD1 4.34Å; T291-Y311 HydrophobicContact CG2-CD2 3.73Å; T291-Y311 HydrophobicContact CG2-CE1 3.91Å; T291-Y311 HydrophobicContact CG2-CE2 3.23Å; T291-Y311 HydrophobicContact CG2-CG 4.26Å; T291-Y311 PolarHBondContact N-O 2.97Å; T291-Y311 VanDerWaalsContact O-CD1 3.26Å; T291-Y311 WeakPolarHBondContact O-CD1 3.43Å; T291-Y311 PolarHBondContact O-N 2.98Å
292L86.1Confident81.8Confident117 Ų11758.2 Ų58.261%0.61334%0.335SS*.  trans-119.81.3-178.3-76.8167.6000112.9F294 P310L292-F294 PolarHBondContact O-N 2.87Å; L292-P310 HydrophobicContact CD2-CB 4.21Å; L292-P310 HydrophobicContact CD2-CG 3.84Å; L292-P310 HydrophobicContact CG-CG 4.42Å
293T84Confident82.6Confident71 Ų7154.1 Ų54.144%0.43632%0.318SS..  trans-66.5121.8-176.5-51.50000110.7T291 C295 Y311T291-T293 PolarHBondContact OG1-N 3.01Å; T291-T293 PolarHBondContact OG1-OG1 2.86Å; T293-C295 HydrophobicContact CG2-CB 4.33Å; T293-C295 PolarHBondContact O-N 3.11Å; T293-Y311 VanDerWaalsContact O-CE1 3.25Å; T293-Y311 WeakPolarHBondContact O-CE1 3.36Å; T293-Y311 PolarHBondContact O-OH 3.24Å
294F86.7Confident83.4Confident112 Ų11250.7 Ų50.749%0.49130%0.302SS..  trans-78.6103.7172.1-168.7-84.4000109.6L292 L301 I305 L306L292-F294 PolarHBondContact O-N 2.87Å; F294-L301 HydrophobicContact CE1-CD1 4.23Å; F294-L301 HydrophobicContact CE2-CD1 4.46Å; F294-L301 HydrophobicContact CZ-CD1 3.76Å; F294-I305 HydrophobicContact CD2-CG2 3.77Å; F294-I305 HydrophobicContact CE2-CG2 4.05Å; F294-I305 HydrophobicContact CG-CG2 4.4Å; F294-L306 HydrophobicContact CE2-CD2 4.15Å; F294-L306 HydrophobicContact CZ-CD2 4.16Å
295C86.3Confident84.3Confident19 Ų1950.7 Ų50.713%0.12830%0.301CS..  trans-151.1167.1178.861.20000110.6R258 L280 T293 L301R258-C295 PolarHBondContact NH1-SG 3.27Å; L280-C295 HydrophobicContact CD2-CB 4.35Å; T293-C295 HydrophobicContact CG2-CB 4.33Å; T293-C295 PolarHBondContact O-N 3.11Å; C295-L301 WeakPolarHBondContact O-CD2 3.49Å
296G84.8Confident85.7Confident25 Ų2545.6 Ų45.626%0.25826%0.263SS..SBendtrans111.5171.9-177.600000112.3
297T88.6Confident87.3Confident27 Ų2748.2 Ų48.217%0.16626%0.262CS..  trans-84.8130.4-177.5-59.80000110.4D259 K261 E299 Y300 L301D259-T297 PolarHBondContact OD1-N 3.18Å; D259-T297 PolarHBondContact OD1-OG1 2.86Å; K261-T297 HydrophobicContact CD-CG2 4.13Å; K261-T297 VanDerWaalsContact CD-OG1 3.26Å; K261-T297 WeakPolarHBondContact CD-OG1 3.22Å; K261-T297 PolarHBondContact NZ-OG1 2.88Å; T297-E299 VanDerWaalsContact C-N 3.27Å; T297-E299 WeakPolarHBondContact CG2-OE2 3.25Å; T297-E299 PolarHBondContact O-N 3.04Å; T297-E299 VanDerWaalsContact O-N 3.07Å; T297-Y300 HydrophobicContact CG2-CD2 3.75Å; T297-Y300 HydrophobicContact CG2-CE2 3.93Å; T297-Y300 PolarHBondContact O-N 3.06Å; T297-L301 PolarHBondContact O-N 2.9Å
298P92.8Very high88.9Confident35 Ų3551.8 Ų51.823%0.22727%0.266CS..G310 helixtrans-48.9-40-168.2-31.836.8000116.2Y300 M342 Y343 I346P298-Y300 PolarHBondContact O-N 3.29Å; P298-M342 HydrophobicContact CB-SD 4.39Å; P298-Y343 HydrophobicContact CB-CE1 4.04Å; P298-I346 WeakPolarHBondContact O-CD1 3.26Å
299E95.4Very high90.4Very high49 Ų4947.8 Ų47.823%0.22925%0.247CC..G310 helixtrans-68-22.5-177.6-65.174.2-167.800113T297 P332 Y335 M342T297-E299 VanDerWaalsContact C-N 3.27Å; T297-E299 WeakPolarHBondContact CG2-OE2 3.25Å; T297-E299 PolarHBondContact O-N 3.04Å; T297-E299 VanDerWaalsContact O-N 3.07Å; E299-P332 HydrophobicContact CB-CB 4.21Å; E299-P332 HydrophobicContact CB-CG 4.04Å; E299-P332 HydrophobicContact CG-CG 4.34Å; E299-Y335 HydrophobicContact CG-CD2 4.06Å; E299-Y335 HydrophobicContact CG-CE2 4.46Å; E299-M342 HydrophobicContact CB-SD 4.33Å; E299-M342 HydrophobicContact CG-CE 3.91Å; E299-M342 HydrophobicContact CG-SD 3.89Å
300Y97.4Very high91.4Very high10 Ų1049 Ų494%0.03925%0.254CS..G310 helixtrans-111.3-3.2-174.6-51.9-90000112.7K261 P262 T297 P298 A302 W318 C319 C322 V323 E326K261-Y300 HydrophobicContact CB-CD1 4.42Å; K261-Y300 HydrophobicContact CB-CD2 3.9Å; K261-Y300 HydrophobicContact CB-CE1 4.19Å; K261-Y300 HydrophobicContact CB-CE2 3.6Å; K261-Y300 HydrophobicContact CB-CG 4.3Å; P262-Y300 WeakPolarHBondContact CD-OH 3.47Å; T297-Y300 HydrophobicContact CG2-CD2 3.75Å; T297-Y300 HydrophobicContact CG2-CE2 3.93Å; T297-Y300 PolarHBondContact O-N 3.06Å; P298-Y300 PolarHBondContact O-N 3.29Å; Y300-A302 PolarHBondContact O-N 3.44Å; Y300-W318 PolarHBondContact O-NE1 2.82Å; Y300-C319 PolarHBondContact O-SG 3.01Å; Y300-C319 VanDerWaalsContact O-SG 3.37Å; Y300-C322 HydrophobicContact CD1-CB 3.68Å; Y300-C322 HydrophobicContact CE1-CB 4.23Å; Y300-V323 HydrophobicContact CE1-CG2 4.34Å; Y300-E326 PolarHBondContact OH-OE2 2.69Å
301L96.4Very high91.9Very high4 Ų445.5 Ų45.52%0.02123%0.232CC..  trans-58.6128.8179.5-70.9177.3000111.5F294 C295 T297 I305 L306 W318 Y343 I346F294-L301 HydrophobicContact CE1-CD1 4.23Å; F294-L301 HydrophobicContact CE2-CD1 4.46Å; F294-L301 HydrophobicContact CZ-CD1 3.76Å; C295-L301 WeakPolarHBondContact O-CD2 3.49Å; T297-L301 PolarHBondContact O-N 2.9Å; L301-I305 HydrophobicContact CD2-CD1 4.36Å; L301-I305 HydrophobicContact CD2-CG2 4.1Å; L301-L306 HydrophobicContact CB-CD2 4.21Å; L301-L306 HydrophobicContact CB-CG 4.29Å; L301-L306 HydrophobicContact CD1-CD2 3.72Å; L301-W318 PolarHBondContact O-NE1 3.21Å; L301-Y343 HydrophobicContact CD1-CE1 4.19Å; L301-I346 WeakPolarHBondContact O-CG2 3.3Å
302A97.1Very high92.3Very high0 Ų046.6 Ų46.60%024%0.238CC..  trans-70.5149174.400000111.4Y300 E304 I305 L306 V315 W318Y300-A302 PolarHBondContact O-N 3.44Å; A302-E304 VanDerWaalsContact C-N 3.28Å; A302-E304 HydrophobicContact CB-CG 4.33Å; A302-E304 WeakPolarHBondContact CB-OE2 3.44Å; A302-E304 PolarHBondContact O-N 3.34Å; A302-I305 HydrophobicContact CB-CD1 4.27Å; A302-I305 HydrophobicContact CB-CG1 4.37Å; A302-I305 WeakPolarHBondContact O-CB 3.45Å; A302-I305 PolarHBondContact O-N 3.32Å; A302-L306 PolarHBondContact O-N 2.92Å; A302-V315 HydrophobicContact CB-CB 4.12Å; A302-V315 HydrophobicContact CB-CG1 3.93Å; A302-W318 HydrophobicContact CB-CB 4.11Å; A302-W318 HydrophobicContact CB-CD2 4.37Å; A302-W318 HydrophobicContact CB-CG 3.86Å
303P97.6Very high92.7Very high0 Ų042.5 Ų42.50%022%0.215CC..Hα-helixtrans-56.2-36.7-177.5-29.939000114.4I305 L306 R307 W318 I346 L347 K371P303-I305 VanDerWaalsContact C-N 3.33Å; P303-I305 PolarHBondContact O-N 2.83Å; P303-L306 PolarHBondContact O-N 3.13Å; P303-R307 VanDerWaalsContact CB-NH1 3.26Å; P303-R307 WeakPolarHBondContact O-CG 3.4Å; P303-R307 PolarHBondContact O-N 2.91Å; P303-W318 HydrophobicContact CG-CE3 4.25Å; P303-W318 HydrophobicContact CG-CH2 3.55Å; P303-W318 HydrophobicContact CG-CZ2 3.98Å; P303-W318 HydrophobicContact CG-CZ3 3.7Å; P303-I346 HydrophobicContact CG-CG2 3.97Å; P303-L347 HydrophobicContact CB-CD2 4.14Å; P303-K371 HydrophobicContact CG-CB 4.44Å; P303-K371 HydrophobicContact CG-CD 3.89Å
304E96.6Very high93.2Very high3 Ų339.3 Ų39.31%0.01420%0.196CC..Hα-helixtrans-64.5-33.4176.760-89.5-145.900113.1A302 R307 K308 Q309 V315 K373 R376A302-E304 VanDerWaalsContact C-N 3.28Å; A302-E304 HydrophobicContact CB-CG 4.33Å; A302-E304 WeakPolarHBondContact CB-OE2 3.44Å; A302-E304 PolarHBondContact O-N 3.34Å; E304-R307 CarbonylContact O-C 3.37Å; E304-R307 PolarHBondContact O-N 3.3Å; E304-K308 PolarHBondContact O-N 3.39Å; E304-Q309 HydrophobicContact CB-CB 4.25Å; E304-Q309 PolarHBondContact O-N 3.3Å; E304-V315 HydrophobicContact CG-CG1 4.18Å; E304-V315 WeakPolarHBondContact OE1-CG1 3.32Å; E304-K373 HydrophobicContact CG-CD 4.46Å; E304-R376 IonicContact OE1-CZ 3.07Å; E304-R376 IonicContact OE1-NH1 2.8Å; E304-R376 PolarHBondContact OE1-NH1 3.16Å; E304-R376 IonicContact OE1-NH2 3.22Å; E304-R376 PolarHBondContact OE1-NH2 3.01Å; E304-R376 IonicContact OE2-CZ 2.96Å; E304-R376 IonicContact OE2-NH1 3.72Å; E304-R376 IonicContact OE2-NH2 3.75Å; E304-R376 PolarHBondContact OE2-NH2 3.25Å
305I95.6Very high93.7Very high11 Ų1134.1 Ų34.16%0.05617%0.173CC..Hα-helixtrans-68.3-44.1175.2-59.2174.7000109.6F294 L301 A302 P303 R307 K308 Y311 V315F294-I305 HydrophobicContact CD2-CG2 3.77Å; F294-I305 HydrophobicContact CE2-CG2 4.05Å; F294-I305 HydrophobicContact CG-CG2 4.4Å; L301-I305 HydrophobicContact CD2-CD1 4.36Å; L301-I305 HydrophobicContact CD2-CG2 4.1Å; A302-I305 HydrophobicContact CB-CD1 4.27Å; A302-I305 HydrophobicContact CB-CG1 4.37Å; A302-I305 WeakPolarHBondContact O-CB 3.45Å; A302-I305 PolarHBondContact O-N 3.32Å; P303-I305 VanDerWaalsContact C-N 3.33Å; P303-I305 PolarHBondContact O-N 2.83Å; I305-R307 VanDerWaalsContact C-N 3.28Å; I305-R307 PolarHBondContact O-N 3.45Å; I305-K308 WeakPolarHBondContact O-CA 3.36Å; I305-K308 PolarHBondContact O-N 3.01Å; I305-Y311 HydrophobicContact CD1-CE1 4.46Å; I305-Y311 HydrophobicContact CD1-CE2 4.48Å; I305-Y311 HydrophobicContact CG1-CD1 3.75Å; I305-Y311 HydrophobicContact CG1-CD2 4.45Å; I305-Y311 HydrophobicContact CG1-CE1 3.98Å; I305-Y311 HydrophobicContact CG1-CG 4.01Å; I305-V315 HydrophobicContact CD1-CB 4.27Å; I305-V315 HydrophobicContact CD1-CG1 3.98Å; I305-V315 HydrophobicContact CG1-CG1 4.15Å
306L95.1Very high94.2Very high28 Ų2833.2 Ų33.215%0.14717%0.167CC..Hα-helixtrans-63.2-35176-66.8-177.9000112.4F294 L301 A302 P303 K308 Y343 I346 L347F294-L306 HydrophobicContact CE2-CD2 4.15Å; F294-L306 HydrophobicContact CZ-CD2 4.16Å; L301-L306 HydrophobicContact CB-CD2 4.21Å; L301-L306 HydrophobicContact CB-CG 4.29Å; L301-L306 HydrophobicContact CD1-CD2 3.72Å; A302-L306 PolarHBondContact O-N 2.92Å; P303-L306 PolarHBondContact O-N 3.13Å; L306-K308 PolarHBondContact O-N 3.32Å; L306-Y343 HydrophobicContact CD1-CD1 4.03Å; L306-Y343 HydrophobicContact CD1-CG 4.19Å; L306-Y343 HydrophobicContact CD2-CD1 3.84Å; L306-Y343 HydrophobicContact CD2-CD2 4.26Å; L306-Y343 HydrophobicContact CD2-CE1 3.92Å; L306-Y343 HydrophobicContact CD2-CE2 4.33Å; L306-Y343 HydrophobicContact CD2-CG 4.01Å; L306-I346 HydrophobicContact CD1-CB 3.8Å; L306-I346 HydrophobicContact CD1-CD1 4.17Å; L306-I346 HydrophobicContact CD1-CG2 3.53Å; L306-L347 HydrophobicContact CB-CD2 4.06Å; L306-L347 HydrophobicContact CD1-CD2 4.42Å; L306-L347 HydrophobicContact CD1-CG 4.25Å
307R95.2Very high94.9Very high107 Ų10732 Ų3240%0.40416%0.155SC..THydrogen-bonded Turntrans-76.3-0.5173.3-68-179.4-172110.92.6113.6P303 E304 I305 Q309 L347P303-R307 VanDerWaalsContact CB-NH1 3.26Å; P303-R307 WeakPolarHBondContact O-CG 3.4Å; P303-R307 PolarHBondContact O-N 2.91Å; E304-R307 CarbonylContact O-C 3.37Å; E304-R307 PolarHBondContact O-N 3.3Å; I305-R307 VanDerWaalsContact C-N 3.28Å; I305-R307 PolarHBondContact O-N 3.45Å; R307-Q309 HydrophobicContact CB-CG 3.86Å; R307-Q309 PolarHBondContact O-N 3.2Å; R307-L347 HydrophobicContact CG-CD2 3.86Å
308K93.1Very high95.3Very high170 Ų17030.7 Ų30.774%0.73915%0.147SC*.THydrogen-bonded Turntrans55.834.3-176-54.9-179.9179.9179.90112.8E304 I305 L306E304-K308 PolarHBondContact O-N 3.39Å; I305-K308 WeakPolarHBondContact O-CA 3.36Å; I305-K308 PolarHBondContact O-N 3.01Å; L306-K308 PolarHBondContact O-N 3.32Å
309Q93.2Very high95.6Very high91 Ų9129.4 Ų29.443%0.42514%0.138SC..  trans-88.9153.2177.4-68.5173.2-17.800110.4E304 R307 Y311E304-Q309 HydrophobicContact CB-CB 4.25Å; E304-Q309 PolarHBondContact O-N 3.3Å; R307-Q309 HydrophobicContact CB-CG 3.86Å; R307-Q309 PolarHBondContact O-N 3.2Å; Q309-Y311 PolarHBondContact O-N 3.21Å
310P91.6Very high95.8Very high60 Ų6027 Ų2739%0.3913%0.127SC..  trans-59.6128.1170.1-17.527.8000111T290 T291 L292 K373T290-P310 HydrophobicContact CG2-CB 4.07Å; T290-P310 WeakPolarHBondContact OG1-CB 3.41Å; T291-P310 WeakPolarHBondContact O-CA 3.19Å; L292-P310 HydrophobicContact CD2-CB 4.21Å; L292-P310 HydrophobicContact CD2-CG 3.84Å; L292-P310 HydrophobicContact CG-CG 4.42Å; P310-K373 PolarHBondContact O-NZ 2.79Å
311Y92.2Very high95.8Very high2 Ų226.6 Ų26.61%0.00813%0.125CC..BIsolated β-bridgetrans-123.7161.1-177.868.1-94.7000111.9R258 T290 T291 T293 I305 Q309 V315R258-Y311 WeakPolarHBondContact CD-OH 3.48Å; R258-Y311 HydrophobicContact CG-CE2 4.32Å; R258-Y311 PolarHBondContact NH1-OH 3.03Å; T290-Y311 CarbonylContact C-O 3.52Å; T290-Y311 WeakPolarHBondContact CA-O 3.41Å; T290-Y311 WeakPolarHBondContact CB-O 3.2Å; T291-Y311 HydrophobicContact CG2-CD1 4.34Å; T291-Y311 HydrophobicContact CG2-CD2 3.73Å; T291-Y311 HydrophobicContact CG2-CE1 3.91Å; T291-Y311 HydrophobicContact CG2-CE2 3.23Å; T291-Y311 HydrophobicContact CG2-CG 4.26Å; T291-Y311 PolarHBondContact N-O 2.97Å; T291-Y311 VanDerWaalsContact O-CD1 3.26Å; T291-Y311 WeakPolarHBondContact O-CD1 3.43Å; T291-Y311 PolarHBondContact O-N 2.98Å; T293-Y311 VanDerWaalsContact O-CE1 3.25Å; T293-Y311 WeakPolarHBondContact O-CE1 3.36Å; T293-Y311 PolarHBondContact O-OH 3.24Å; I305-Y311 HydrophobicContact CD1-CE1 4.46Å; I305-Y311 HydrophobicContact CD1-CE2 4.48Å; I305-Y311 HydrophobicContact CG1-CD1 3.75Å; I305-Y311 HydrophobicContact CG1-CD2 4.45Å; I305-Y311 HydrophobicContact CG1-CE1 3.98Å; I305-Y311 HydrophobicContact CG1-CG 4.01Å; Q309-Y311 PolarHBondContact O-N 3.21Å; Y311-V315 HydrophobicContact CD2-CB 4.38Å; Y311-V315 HydrophobicContact CD2-CG1 3.55Å; Y311-V315 HydrophobicContact CD2-CG2 3.94Å; Y311-V315 HydrophobicContact CE2-CG1 4.45Å; Y311-V315 HydrophobicContact CE2-CG2 4.24Å; Y311-V315 HydrophobicContact CG-CG1 3.85Å
312D92Very high95.9Very high38 Ų3826.4 Ų26.420%0.20312%0.124CC..  trans-134.9-161.4-172.649.346.6000109.4T290 A314 V315 K373T290-D312 HydrophobicContact CG2-CB 4.44Å; D312-A314 PolarHBondContact O-N 2.94Å; D312-A314 VanDerWaalsContact O-N 3.09Å; D312-A314 WeakPolarHBondContact OD1-CB 3.28Å; D312-A314 PolarHBondContact OD1-N 2.81Å; D312-V315 WeakPolarHBondContact O-CG2 3.13Å; D312-V315 PolarHBondContact O-N 3.07Å; D312-K373 IonicContact OD2-NZ 3.7Å; D312-K373 PolarHBondContact OD2-NZ 2.86Å
313F94Very high96Very high31 Ų3126.4 Ų26.414%0.13612%0.124CC..THydrogen-bonded Turntrans-55.7-22.1179.4-55.1-61.5000114.2H251 I256 V315 D316H251-F313 HydrophobicContact CB-CD1 4.19Å; H251-F313 HydrophobicContact CB-CG 4.39Å; H251-F313 AromaticContact CD2-CD1 3.59Å; H251-F313 AromaticContact CG-CD1 3.8Å; H251-F313 AromaticContact CG-CG 4Å; I256-F313 HydrophobicContact CB-CD1 4.29Å; I256-F313 HydrophobicContact CD1-CD1 4.44Å; I256-F313 HydrophobicContact CD1-CE1 4.49Å; I256-F313 HydrophobicContact CG1-CD1 3.43Å; I256-F313 VanDerWaalsContact CG1-CD1 3.43Å; I256-F313 HydrophobicContact CG1-CE1 3.5Å; I256-F313 HydrophobicContact CG1-CG 4.4Å; F313-V315 PolarHBondContact O-N 3.35Å; F313-D316 PolarHBondContact O-N 2.79Å
314A95.6Very high96.1Very high4 Ų426.4 Ų26.43%0.03312%0.124CC..Hα-helixtrans-62-19.2-178.500000113.9D312 D316 W317 W318 K373 R376D312-A314 PolarHBondContact O-N 2.94Å; D312-A314 VanDerWaalsContact O-N 3.09Å; D312-A314 WeakPolarHBondContact OD1-CB 3.28Å; D312-A314 PolarHBondContact OD1-N 2.81Å; A314-D316 VanDerWaalsContact C-N 3.31Å; A314-W317 PolarHBondContact O-N 2.77Å; A314-W318 PolarHBondContact O-N 2.87Å; A314-K373 HydrophobicContact CB-CB 4.29Å; A314-R376 WeakPolarHBondContact O-CD 3.33Å; A314-R376 PolarHBondContact O-NH1 3.07Å
315V96.7Very high96.2Very high2 Ų227.5 Ų27.51%0.01213%0.129CC..Hα-helixtrans-67-33.1175.3-57.40000112I256 R258 A302 E304 I305 Y311 D312 F313 W317 W318 C319I256-V315 HydrophobicContact CG2-CG2 3.83Å; R258-V315 HydrophobicContact CG-CG2 4.49Å; A302-V315 HydrophobicContact CB-CB 4.12Å; A302-V315 HydrophobicContact CB-CG1 3.93Å; E304-V315 HydrophobicContact CG-CG1 4.18Å; E304-V315 WeakPolarHBondContact OE1-CG1 3.32Å; I305-V315 HydrophobicContact CD1-CB 4.27Å; I305-V315 HydrophobicContact CD1-CG1 3.98Å; I305-V315 HydrophobicContact CG1-CG1 4.15Å; Y311-V315 HydrophobicContact CD2-CB 4.38Å; Y311-V315 HydrophobicContact CD2-CG1 3.55Å; Y311-V315 HydrophobicContact CD2-CG2 3.94Å; Y311-V315 HydrophobicContact CE2-CG1 4.45Å; Y311-V315 HydrophobicContact CE2-CG2 4.24Å; Y311-V315 HydrophobicContact CG-CG1 3.85Å; D312-V315 WeakPolarHBondContact O-CG2 3.13Å; D312-V315 PolarHBondContact O-N 3.07Å; F313-V315 PolarHBondContact O-N 3.35Å; V315-W317 VanDerWaalsContact C-N 3.33Å; V315-W318 WeakPolarHBondContact O-CB 3.16Å; V315-W318 PolarHBondContact O-N 3.05Å; V315-C319 PolarHBondContact O-N 2.82Å; V315-C319 PolarHBondContact O-SG 3.21Å
316D97.6Very high96.3Very high0 Ų027.1 Ų27.10%013%0.127CC..Hα-helixtrans-71.3-33.6179.3-71.1-25000111L247 H251 I256 Y257 R258 F313 A314 C319 L320L247-D316 HydrophobicContact CD1-CB 3.97Å; L247-D316 HydrophobicContact CD2-CB 3.95Å; H251-D316 IonicContact CD2-OD2 2.65Å; H251-D316 IonicContact NE2-OD2 2.75Å; H251-D316 PolarHBondContact NE2-OD2 2.8Å; H251-D316 VanDerWaalsContact NE2-OD2 3.12Å; I256-D316 VanDerWaalsContact CG2-OD2 3.28Å; I256-D316 WeakPolarHBondContact CG2-OD2 3.35Å; Y257-D316 PolarHBondContact N-OD2 3.21Å; R258-D316 WeakPolarHBondContact CA-OD1 3.14Å; R258-D316 PolarHBondContact N-OD1 2.9Å; F313-D316 PolarHBondContact O-N 2.79Å; A314-D316 VanDerWaalsContact C-N 3.31Å; D316-C319 PolarHBondContact O-N 2.85Å; D316-L320 PolarHBondContact O-N 3.36Å
317W98.6Very high96.5Very high0 Ų025.8 Ų25.80%012%0.12CC..Hα-helixtrans-67.5-35172.5-59131.7000112.8A244 L247 H251 A314 V315 L320 G321 L368 G378 D382 F383 I386A244-W317 HydrophobicContact CB-CZ3 4.11Å; L247-W317 HydrophobicContact CB-CH2 3.81Å; L247-W317 HydrophobicContact CB-CZ3 3.96Å; L247-W317 HydrophobicContact CD1-CE3 4.07Å; L247-W317 HydrophobicContact CD1-CZ3 3.87Å; H251-W317 AromaticContact CE1-CE2 3.65Å; H251-W317 AromaticContact CE1-CZ2 3.72Å; H251-W317 AromaticContact CE1-NE1 3.68Å; H251-W317 AromaticContact ND1-CE2 3.82Å; H251-W317 AromaticContact ND1-CZ2 3.58Å; H251-W317 AromaticContact ND1-NE1 3.8Å; A314-W317 PolarHBondContact O-N 2.77Å; V315-W317 VanDerWaalsContact C-N 3.33Å; W317-L320 HydrophobicContact CE3-CB 4.5Å; W317-L320 HydrophobicContact CE3-CD2 3.78Å; W317-L320 HydrophobicContact CZ3-CD2 3.89Å; W317-L320 PolarHBondContact O-N 2.92Å; W317-G321 PolarHBondContact O-N 3.04Å; W317-L368 HydrophobicContact CB-CD2 4.03Å; W317-G378 PolarHBondContact NE1-O 2.95Å; W317-D382 PolarHBondContact NE1-OD2 3.43Å; W317-F383 HydrophobicContact CH2-CB 4.13Å; W317-F383 HydrophobicContact CH2-CD2 4.01Å; W317-F383 HydrophobicContact CZ2-CB 4.12Å; W317-I386 HydrophobicContact CD2-CD1 3.8Å; W317-I386 HydrophobicContact CD2-CG1 3.92Å; W317-I386 HydrophobicContact CE3-CD1 3.71Å; W317-I386 HydrophobicContact CE3-CG1 3.8Å; W317-I386 HydrophobicContact CG-CD1 4.19Å; W317-I386 HydrophobicContact CH2-CG1 3.98Å; W317-I386 HydrophobicContact CZ2-CG1 4.06Å; W317-I386 HydrophobicContact CZ3-CB 4.47Å; W317-I386 HydrophobicContact CZ3-CD1 4.22Å; W317-I386 HydrophobicContact CZ3-CG1 3.83Å; W317-I386 HydrophobicContact CZ3-CG2 4.26Å
318W98.5Very high96.6Very high0 Ų021 Ų210%010%0.102CC..Hα-helixtrans-61.2-48.3169.4171.1-85.6000111.2Y300 L301 A302 P303 A314 V315 L320 G321 C322 F334 I346 L369 Q370 K371Y300-W318 PolarHBondContact O-NE1 2.82Å; L301-W318 PolarHBondContact O-NE1 3.21Å; A302-W318 HydrophobicContact CB-CB 4.11Å; A302-W318 HydrophobicContact CB-CD2 4.37Å; A302-W318 HydrophobicContact CB-CG 3.86Å; P303-W318 HydrophobicContact CG-CE3 4.25Å; P303-W318 HydrophobicContact CG-CH2 3.55Å; P303-W318 HydrophobicContact CG-CZ2 3.98Å; P303-W318 HydrophobicContact CG-CZ3 3.7Å; A314-W318 PolarHBondContact O-N 2.87Å; V315-W318 WeakPolarHBondContact O-CB 3.16Å; V315-W318 PolarHBondContact O-N 3.05Å; W318-L320 VanDerWaalsContact C-N 3.31Å; W318-L320 PolarHBondContact O-N 3.05Å; W318-G321 WeakPolarHBondContact O-CA 3.42Å; W318-G321 PolarHBondContact O-N 2.89Å; W318-C322 PolarHBondContact O-N 2.85Å; W318-F334 HydrophobicContact CH2-CD2 4.37Å; W318-F334 AromaticContact CH2-CE2 3.6Å; W318-F334 HydrophobicContact CH2-CE2 3.6Å; W318-F334 HydrophobicContact CH2-CZ 4.32Å; W318-F334 HydrophobicContact CZ2-CD2 4.03Å; W318-F334 AromaticContact CZ2-CE2 3.64Å; W318-F334 HydrophobicContact CZ2-CE2 3.64Å; W318-I346 HydrophobicContact CZ2-CG2 4Å; W318-L369 HydrophobicContact CD2-CD2 4.01Å; W318-L369 HydrophobicContact CE3-CD2 4.08Å; W318-L369 HydrophobicContact CH2-CD2 4.41Å; W318-L369 HydrophobicContact CZ2-CD2 4.32Å; W318-L369 HydrophobicContact CZ3-CB 4.27Å; W318-L369 HydrophobicContact CZ3-CD2 4.3Å; W318-L369 WeakPolarHBondContact CZ3-O 3.38Å; W318-Q370 WeakPolarHBondContact CZ3-O 3.35Å; W318-K371 HydrophobicContact CH2-CD 3.94Å; W318-K371 HydrophobicContact CZ3-CD 4.2Å
319C98.3Very high96.8Very high7 Ų714.1 Ų14.15%0.0477%0.073CC..Hα-helixtrans-61.3-39.4178.2-62.50000111.9L260 Y300 V315 D316 G321 C322 V323L260-C319 HydrophobicContact CB-CB 3.72Å; L260-C319 HydrophobicContact CD2-CB 4.13Å; L260-C319 HydrophobicContact CG-CB 4.3Å; Y300-C319 PolarHBondContact O-SG 3.01Å; Y300-C319 VanDerWaalsContact O-SG 3.37Å; V315-C319 PolarHBondContact O-N 2.82Å; V315-C319 PolarHBondContact O-SG 3.21Å; D316-C319 PolarHBondContact O-N 2.85Å; C319-G321 VanDerWaalsContact C-N 3.28Å; C319-G321 PolarHBondContact O-N 2.83Å; C319-C322 WeakPolarHBondContact O-CB 3.16Å; C319-C322 PolarHBondContact O-N 3.08Å; C319-C322 VanDerWaalsContact O-N 3.11Å; C319-V323 WeakPolarHBondContact O-CG2 3.43Å; C319-V323 PolarHBondContact O-N 3.3Å
320L98.8Very high96.9Very high0 Ų010.4 Ų10.40%06%0.059CC..Hα-helixtrans-58-43.4172.3176.363.4000110.9A240 I243 A244 L247 L260 D316 W317 W318 C322 V323 I324 L368 I386A240-L320 HydrophobicContact CB-CD1 4.48Å; I243-L320 HydrophobicContact CB-CD1 4.08Å; I243-L320 HydrophobicContact CG2-CD1 3.78Å; A244-L320 HydrophobicContact CB-CD2 3.88Å; L247-L320 HydrophobicContact CD1-CB 4.39Å; L260-L320 HydrophobicContact CD2-CB 4.17Å; D316-L320 PolarHBondContact O-N 3.36Å; W317-L320 HydrophobicContact CE3-CB 4.5Å; W317-L320 HydrophobicContact CE3-CD2 3.78Å; W317-L320 HydrophobicContact CZ3-CD2 3.89Å; W317-L320 PolarHBondContact O-N 2.92Å; W318-L320 VanDerWaalsContact C-N 3.31Å; W318-L320 PolarHBondContact O-N 3.05Å; L320-C322 VanDerWaalsContact C-N 3.33Å; L320-C322 PolarHBondContact O-N 3.15Å; L320-V323 PolarHBondContact O-N 2.95Å; L320-I324 HydrophobicContact CD1-CD1 4Å; L320-I324 HydrophobicContact CD1-CG1 4.12Å; L320-I324 HydrophobicContact CD2-CD1 4.48Å; L320-I324 HydrophobicContact CG-CD1 3.86Å; L320-I324 HydrophobicContact CG-CG1 4.39Å; L320-I324 VanDerWaalsContact O-CG1 3.26Å; L320-I324 WeakPolarHBondContact O-CG1 3.22Å; L320-I324 PolarHBondContact O-N 3.46Å; L320-L368 HydrophobicContact CD2-CD1 4.28Å; L320-L368 HydrophobicContact CG-CD1 4.2Å; L320-I386 HydrophobicContact CD2-CG2 4.38Å
321G98.8Very high97.1Very high0 Ų011.8 Ų11.80%06%0.062CC..Hα-helixtrans-57.4-43.7173.600000112.8W317 W318 C319 Y325W317-G321 PolarHBondContact O-N 3.04Å; W318-G321 WeakPolarHBondContact O-CA 3.42Å; W318-G321 PolarHBondContact O-N 2.89Å; C319-G321 VanDerWaalsContact C-N 3.28Å; C319-G321 PolarHBondContact O-N 2.83Å; G321-Y325 WeakPolarHBondContact O-CB 3.39Å; G321-Y325 PolarHBondContact O-N 2.81Å
322C98.7Very high97.4Very high0 Ų012.2 Ų12.20%07%0.066CC..Hα-helixtrans-63.3-45.3176.2-70.90000112Y300 W318 C319 L320 Y325 E326 P333Y300-C322 HydrophobicContact CD1-CB 3.68Å; Y300-C322 HydrophobicContact CE1-CB 4.23Å; W318-C322 PolarHBondContact O-N 2.85Å; C319-C322 WeakPolarHBondContact O-CB 3.16Å; C319-C322 PolarHBondContact O-N 3.08Å; C319-C322 VanDerWaalsContact O-N 3.11Å; L320-C322 VanDerWaalsContact C-N 3.33Å; L320-C322 PolarHBondContact O-N 3.15Å; C322-Y325 WeakPolarHBondContact O-CB 3.23Å; C322-Y325 PolarHBondContact O-N 2.78Å; C322-E326 WeakPolarHBondContact O-CB 3.2Å; C322-E326 PolarHBondContact O-N 2.9Å; C322-P333 HydrophobicContact CB-CG 4.43Å
323V98.6Very high97.6Very high0 Ų011.1 Ų11.10%06%0.06CC..Hα-helixtrans-65.5-42.2178.9173.80000111.5L221 I243 L260 P262 I265 Y300 C319 L320 Y325 E326 M327L221-V323 HydrophobicContact CD2-CG1 4.16Å; I243-V323 HydrophobicContact CD1-CG1 4.19Å; L260-V323 HydrophobicContact CD2-CG2 4.48Å; L260-V323 HydrophobicContact CG-CG2 4.18Å; P262-V323 HydrophobicContact CG-CG2 4.47Å; I265-V323 HydrophobicContact CD1-CG1 3.89Å; I265-V323 HydrophobicContact CD1-CG2 4.37Å; Y300-V323 HydrophobicContact CE1-CG2 4.34Å; C319-V323 WeakPolarHBondContact O-CG2 3.43Å; C319-V323 PolarHBondContact O-N 3.3Å; L320-V323 PolarHBondContact O-N 2.95Å; V323-Y325 VanDerWaalsContact C-N 3.32Å; V323-Y325 PolarHBondContact O-N 2.78Å; V323-E326 PolarHBondContact O-N 2.84Å; V323-M327 HydrophobicContact CG1-CE 3.88Å; V323-M327 WeakPolarHBondContact O-CG 3.36Å; V323-M327 PolarHBondContact O-N 2.89Å
324I98.8Very high97.8Very high0 Ų010 Ų100%06%0.055CC..Hα-helixtrans-59.8-45.8173.3-67.8171.2000110.2T236 A240 L320 E326 M327 L328 L365 L368T236-I324 HydrophobicContact CG2-CB 4.36Å; T236-I324 HydrophobicContact CG2-CG2 3.78Å; A240-I324 HydrophobicContact CB-CD1 3.81Å; A240-I324 HydrophobicContact CB-CG1 3.75Å; L320-I324 HydrophobicContact CD1-CD1 4Å; L320-I324 HydrophobicContact CD1-CG1 4.12Å; L320-I324 HydrophobicContact CD2-CD1 4.48Å; L320-I324 HydrophobicContact CG-CD1 3.86Å; L320-I324 HydrophobicContact CG-CG1 4.39Å; L320-I324 VanDerWaalsContact O-CG1 3.26Å; L320-I324 WeakPolarHBondContact O-CG1 3.22Å; L320-I324 PolarHBondContact O-N 3.46Å; I324-E326 VanDerWaalsContact C-N 3.34Å; I324-E326 PolarHBondContact O-N 3.48Å; I324-M327 HydrophobicContact CG1-CE 4.37Å; I324-M327 PolarHBondContact O-N 3.45Å; I324-L328 HydrophobicContact CG2-CD1 3.95Å; I324-L328 WeakPolarHBondContact O-CD1 3.26Å; I324-L328 WeakPolarHBondContact O-CG 3.4Å; I324-L328 PolarHBondContact O-N 2.95Å; I324-L365 HydrophobicContact CB-CD2 4.04Å; I324-L365 HydrophobicContact CG2-CD2 3.63Å; I324-L365 HydrophobicContact CG2-CG 4.32Å; I324-L368 HydrophobicContact CD1-CD1 3.81Å
325Y98.7Very high97.8Very high26 Ų2614.6 Ų14.610%0.1027%0.073CC..Hα-helixtrans-59.5-47.5178.7-175.2-80.5000111.2G321 C322 V323 L328 H329 L331 P333 L351 K352 L365G321-Y325 WeakPolarHBondContact O-CB 3.39Å; G321-Y325 PolarHBondContact O-N 2.81Å; C322-Y325 WeakPolarHBondContact O-CB 3.23Å; C322-Y325 PolarHBondContact O-N 2.78Å; V323-Y325 VanDerWaalsContact C-N 3.32Å; V323-Y325 PolarHBondContact O-N 2.78Å; Y325-L328 CarbonylContact O-C 3.56Å; Y325-L328 PolarHBondContact O-N 3.14Å; Y325-H329 HydrophobicContact CD1-CB 3.97Å; Y325-H329 AromaticContact CD1-CG 3.99Å; Y325-H329 AromaticContact CD1-ND1 3.74Å; Y325-H329 AromaticContact CD2-CE1 3.78Å; Y325-H329 AromaticContact CD2-ND1 3.69Å; Y325-H329 HydrophobicContact CE1-CB 3.52Å; Y325-H329 AromaticContact CE1-CG 3.51Å; Y325-H329 AromaticContact CE1-ND1 3.65Å; Y325-H329 AromaticContact CE2-CE1 3.54Å; Y325-H329 AromaticContact CE2-ND1 3.63Å; Y325-H329 AromaticContact CE2-NE2 3.92Å; Y325-H329 AromaticContact CG-ND1 3.75Å; Y325-H329 AromaticContact CZ-CD2 3.75Å; Y325-H329 AromaticContact CZ-CE1 3.86Å; Y325-H329 AromaticContact CZ-CG 3.55Å; Y325-H329 AromaticContact CZ-ND1 3.62Å; Y325-H329 AromaticContact CZ-NE2 3.97Å; Y325-H329 WeakPolarHBondContact O-CB 3.2Å; Y325-H329 PolarHBondContact O-N 3.27Å; Y325-H329 PolarHBondContact O-ND1 2.8Å; Y325-L331 VanDerWaalsContact CD1-O 3.26Å; Y325-L331 WeakPolarHBondContact CD1-O 3.17Å; Y325-L331 WeakPolarHBondContact CE1-O 3.48Å; Y325-P333 HydrophobicContact CD1-CB 3.76Å; Y325-P333 HydrophobicContact CD1-CG 4.32Å; Y325-P333 HydrophobicContact CD2-CB 3.92Å; Y325-P333 HydrophobicContact CE1-CB 3.96Å; Y325-P333 HydrophobicContact CE2-CB 4.08Å; Y325-P333 HydrophobicContact CG-CB 3.75Å; Y325-P333 HydrophobicContact CG-CG 4.26Å; Y325-L351 HydrophobicContact CD2-CD1 3.82Å; Y325-L351 HydrophobicContact CE2-CD1 3.67Å; Y325-K352 VanDerWaalsContact CE2-O 3.29Å; Y325-K352 WeakPolarHBondContact CE2-O 3.48Å; Y325-K352 PolarHBondContact OH-O 2.99Å; Y325-K352 VanDerWaalsContact OH-O 3.09Å; Y325-L365 HydrophobicContact CD2-CD1 4.22Å; Y325-L365 HydrophobicContact CD2-CD2 4.36Å
326E98.2Very high97.8Very high3 Ų314.8 Ų14.81%0.0147%0.074CC..Hα-helixtrans-66.1-40.4-178.2-175.7170.7-174.400112.4I225 P262 Y300 C322 V323 I324 L328 H329 G330I225-E326 HydrophobicContact CD1-CG 4.29Å; I225-E326 HydrophobicContact CG2-CG 4.39Å; P262-E326 WeakPolarHBondContact CG-OE2 3.36Å; Y300-E326 PolarHBondContact OH-OE2 2.69Å; C322-E326 WeakPolarHBondContact O-CB 3.2Å; C322-E326 PolarHBondContact O-N 2.9Å; V323-E326 PolarHBondContact O-N 2.84Å; I324-E326 VanDerWaalsContact C-N 3.34Å; I324-E326 PolarHBondContact O-N 3.48Å; E326-L328 PolarHBondContact O-N 3.3Å; E326-H329 PolarHBondContact O-N 3.46Å; E326-G330 VanDerWaalsContact O-CA 3.28Å; E326-G330 WeakPolarHBondContact O-CA 3.43Å; E326-G330 PolarHBondContact O-N 3.25Å
327M98.5Very high97.6Very high0 Ų023.1 Ų23.10%011%0.113CC..Hα-helixtrans-57-34171.1-75.2-170.3-79.500112L221 I225 F231 T236 Y239 V323 I324L221-M327 HydrophobicContact CD2-CG 4.41Å; L221-M327 HydrophobicContact CD2-SD 4.08Å; I225-M327 HydrophobicContact CD1-CG 3.79Å; I225-M327 HydrophobicContact CG1-CG 4.29Å; F231-M327 HydrophobicContact CD2-CB 3.87Å; F231-M327 HydrophobicContact CD2-CG 3.69Å; F231-M327 HydrophobicContact CD2-SD 3.86Å; F231-M327 HydrophobicContact CE2-CG 3.98Å; F231-M327 HydrophobicContact CE2-SD 4.17Å; F231-M327 PolarHBondContact N-O 2.86Å; T236-M327 HydrophobicContact CG2-CB 3.93Å; T236-M327 HydrophobicContact CG2-CE 3.76Å; T236-M327 HydrophobicContact CG2-SD 4.28Å; Y239-M327 HydrophobicContact CD2-SD 3.77Å; Y239-M327 HydrophobicContact CG-SD 4.38Å; V323-M327 HydrophobicContact CG1-CE 3.88Å; V323-M327 WeakPolarHBondContact O-CG 3.36Å; V323-M327 PolarHBondContact O-N 2.89Å; I324-M327 HydrophobicContact CG1-CE 4.37Å; I324-M327 PolarHBondContact O-N 3.45Å
328L98.1Very high97.5Very high7 Ų727.3 Ų27.34%0.03714%0.135CC..Hα-helixtrans-88.5-22.8-178.2-65.4167.1000114.3V230 E233 T236 I324 Y325 E326 R354 L357 T361 L365V230-L328 WeakPolarHBondContact CG1-O 3.44Å; E233-L328 HydrophobicContact CG-CD2 4Å; T236-L328 HydrophobicContact CG2-CD1 4.23Å; T236-L328 HydrophobicContact CG2-CD2 4.15Å; T236-L328 HydrophobicContact CG2-CG 3.93Å; T236-L328 WeakPolarHBondContact OG1-CD2 3.3Å; I324-L328 HydrophobicContact CG2-CD1 3.95Å; I324-L328 WeakPolarHBondContact O-CD1 3.26Å; I324-L328 WeakPolarHBondContact O-CG 3.4Å; I324-L328 PolarHBondContact O-N 2.95Å; Y325-L328 CarbonylContact O-C 3.56Å; Y325-L328 PolarHBondContact O-N 3.14Å; E326-L328 PolarHBondContact O-N 3.3Å; L328-R354 PolarHBondContact O-NH1 3.38Å; L328-L357 HydrophobicContact CD1-CD2 4.46Å; L328-L357 HydrophobicContact CD2-CD2 4.29Å; L328-T361 HydrophobicContact CD1-CG2 3.43Å; L328-T361 VanDerWaalsContact CD1-CG2 3.43Å; L328-L365 HydrophobicContact CD1-CD1 4.1Å
329H97.2Very high97.3Very high26 Ų2634.9 Ų34.912%0.1216%0.164CC..Hα-helixtrans-120.3-16.6-171.7-63.982.5000114.5Y325 E326 L331 R354Y325-H329 HydrophobicContact CD1-CB 3.97Å; Y325-H329 AromaticContact CD1-CG 3.99Å; Y325-H329 AromaticContact CD1-ND1 3.74Å; Y325-H329 AromaticContact CD2-CE1 3.78Å; Y325-H329 AromaticContact CD2-ND1 3.69Å; Y325-H329 HydrophobicContact CE1-CB 3.52Å; Y325-H329 AromaticContact CE1-CG 3.51Å; Y325-H329 AromaticContact CE1-ND1 3.65Å; Y325-H329 AromaticContact CE2-CE1 3.54Å; Y325-H329 AromaticContact CE2-ND1 3.63Å; Y325-H329 AromaticContact CE2-NE2 3.92Å; Y325-H329 AromaticContact CG-ND1 3.75Å; Y325-H329 AromaticContact CZ-CD2 3.75Å; Y325-H329 AromaticContact CZ-CE1 3.86Å; Y325-H329 AromaticContact CZ-CG 3.55Å; Y325-H329 AromaticContact CZ-ND1 3.62Å; Y325-H329 AromaticContact CZ-NE2 3.97Å; Y325-H329 WeakPolarHBondContact O-CB 3.2Å; Y325-H329 PolarHBondContact O-N 3.27Å; Y325-H329 PolarHBondContact O-ND1 2.8Å; E326-H329 PolarHBondContact O-N 3.46Å; H329-L331 VanDerWaalsContact C-N 3.31Å; H329-R354 PolarHBondContact O-NH2 2.84Å
330G96.2Very high97.1Very high13 Ų1338 Ų3813%0.13419%0.19CC..SBendtrans85.9-6.7-179.200000114.9R229 E326R229-G330 WeakPolarHBondContact O-CA 3.22Å; E326-G330 VanDerWaalsContact O-CA 3.28Å; E326-G330 WeakPolarHBondContact O-CA 3.43Å; E326-G330 PolarHBondContact O-N 3.25Å
331L95.8Very high97.1Very high89 Ų8943.6 Ų43.647%0.46621%0.211SC..SBendtrans-145.6155.1178.2-69.9173.2000110.7Y325 H329 Y335Y325-L331 VanDerWaalsContact CD1-O 3.26Å; Y325-L331 WeakPolarHBondContact CD1-O 3.17Å; Y325-L331 WeakPolarHBondContact CE1-O 3.48Å; H329-L331 VanDerWaalsContact C-N 3.31Å; L331-Y335 HydrophobicContact CD1-CD1 4.46Å
332P96.8Very high97Very high11 Ų1143.9 Ų43.97%0.07121%0.213CC..  trans-58151.8173.3-24.333.2000113.4E299 F334 Y335E299-P332 HydrophobicContact CB-CB 4.21Å; E299-P332 HydrophobicContact CB-CG 4.04Å; E299-P332 HydrophobicContact CG-CG 4.34Å; P332-F334 VanDerWaalsContact C-N 3.28Å; P332-F334 PolarHBondContact O-N 3.4Å; P332-F334 VanDerWaalsContact O-N 3.16Å; P332-Y335 WeakPolarHBondContact O-CB 3.4Å; P332-Y335 PolarHBondContact O-N 3.42Å
333P97.6Very high96.9Very high15 Ų1546.5 Ų46.510%0.09722%0.223CC..THydrogen-bonded Turntrans-62.5-28.9-169.522.2-32.9000115.3C322 Y325 L351 L369C322-P333 HydrophobicContact CB-CG 4.43Å; Y325-P333 HydrophobicContact CD1-CB 3.76Å; Y325-P333 HydrophobicContact CD1-CG 4.32Å; Y325-P333 HydrophobicContact CD2-CB 3.92Å; Y325-P333 HydrophobicContact CE1-CB 3.96Å; Y325-P333 HydrophobicContact CE2-CB 4.08Å; Y325-P333 HydrophobicContact CG-CB 3.75Å; Y325-P333 HydrophobicContact CG-CG 4.26Å; P333-L351 HydrophobicContact CB-CD1 3.79Å; P333-L369 HydrophobicContact CB-CD1 4.19Å; P333-L369 HydrophobicContact CG-CD1 4.05Å
334F97.7Very high96.9Very high6 Ų653.9 Ų53.93%0.02625%0.251CS..THydrogen-bonded Turntrans-119.420.3-174.8-54-64.7000112.5W318 P332 M342 Y345 I346 R349 L351 K371W318-F334 HydrophobicContact CH2-CD2 4.37Å; W318-F334 AromaticContact CH2-CE2 3.6Å; W318-F334 HydrophobicContact CH2-CE2 3.6Å; W318-F334 HydrophobicContact CH2-CZ 4.32Å; W318-F334 HydrophobicContact CZ2-CD2 4.03Å; W318-F334 AromaticContact CZ2-CE2 3.64Å; W318-F334 HydrophobicContact CZ2-CE2 3.64Å; P332-F334 VanDerWaalsContact C-N 3.28Å; P332-F334 PolarHBondContact O-N 3.4Å; P332-F334 VanDerWaalsContact O-N 3.16Å; F334-M342 VanDerWaalsContact O-CG 3.29Å; F334-M342 WeakPolarHBondContact O-CG 3.49Å; F334-Y345 WeakPolarHBondContact CD1-O 3.42Å; F334-I346 HydrophobicContact CB-CG1 3.68Å; F334-I346 HydrophobicContact CD2-CG1 3.97Å; F334-I346 HydrophobicContact CG-CG1 4.08Å; F334-R349 HydrophobicContact CD1-CB 4.47Å; F334-R349 WeakPolarHBondContact CE1-O 3.44Å; F334-L351 HydrophobicContact CZ-CD1 4.28Å; F334-K371 VanDerWaalsContact CE1-NZ 3.27Å
335Y96Very high96.9Very high101 Ų10156.6 Ų56.640%0.39626%0.261SS..  trans-56140.3-173-178.4-103.2000113.3E299 L331 P332 M342E299-Y335 HydrophobicContact CG-CD2 4.06Å; E299-Y335 HydrophobicContact CG-CE2 4.46Å; L331-Y335 HydrophobicContact CD1-CD1 4.46Å; P332-Y335 WeakPolarHBondContact O-CB 3.4Å; P332-Y335 PolarHBondContact O-N 3.42Å; Y335-M342 HydrophobicContact CD2-CE 4.36Å
336S95.6Very high96.8Very high7 Ų755.4 Ų55.45%0.04926%0.257CS..  trans-160.9136.9169.9-150.40000111N338 R341 M342S336-N338 PolarHBondContact O-N 3.4Å; S336-R341 VanDerWaalsContact OG-CZ 3.24Å; S336-R341 PolarHBondContact OG-NE 2.91Å; S336-R341 PolarHBondContact OG-NH2 3.11Å; S336-M342 WeakPolarHBondContact O-CE 3.18Å
337E93.6Very high96.8Very high175 Ų17557.6 Ų57.682%0.81827%0.268SS*.SBendtrans-58.1-31.3173.5-64.4176.2179.300112.6R339E337-R339 PolarHBondContact O-N 3.37Å
338N96.5Very high96.7Very high87 Ų8763.3 Ų63.347%0.46530%0.295SS..SBendtrans-84.4109.6172.5-176.4-57.8000110.1S336 A340 R341 M342S336-N338 PolarHBondContact O-N 3.4Å; N338-A340 PolarHBondContact O-N 3.05Å; N338-A340 WeakPolarHBondContact OD1-CB 3.4Å; N338-A340 PolarHBondContact OD1-N 3.3Å; N338-R341 HydrophobicContact CB-CB 3.94Å; N338-R341 WeakPolarHBondContact O-CB 3.23Å; N338-R341 PolarHBondContact O-N 3.25Å; N338-R341 VanDerWaalsContact O-N 3.09Å; N338-R341 PolarHBondContact OD1-N 3.48Å; N338-M342 PolarHBondContact O-N 3.22Å
339R94.5Very high96.7Very high159 Ų15967.4 Ų67.460%0.631%0.31SS*.Hα-helixtrans-56.6-41.9-178.4-166.8-174.2-62176.12.2113.8E337 R341 M342 Y343E337-R339 PolarHBondContact O-N 3.37Å; R339-R341 VanDerWaalsContact C-N 3.31Å; R339-R341 PolarHBondContact O-N 3.28Å; R339-M342 WeakPolarHBondContact O-CB 3.41Å; R339-M342 PolarHBondContact O-N 3.34Å; R339-Y343 WeakPolarHBondContact CD-OH 3.49Å; R339-Y343 HydrophobicContact CG-CD1 4.45Å; R339-Y343 HydrophobicContact CG-CD2 4.35Å; R339-Y343 HydrophobicContact CG-CE1 3.91Å; R339-Y343 HydrophobicContact CG-CE2 3.78Å; R339-Y343 VanDerWaalsContact O-CG 3.31Å; R339-Y343 PolarHBondContact O-N 3.34Å
340A95.2Very high96.7Very high72 Ų7271 Ų7160%0.59534%0.336SS*.Hα-helixtrans-64.6-39.1178.400000111.4N338 Y343 R344N338-A340 PolarHBondContact O-N 3.05Å; N338-A340 WeakPolarHBondContact OD1-CB 3.4Å; N338-A340 PolarHBondContact OD1-N 3.3Å; A340-Y343 PolarHBondContact O-N 2.97Å; A340-R344 PolarHBondContact O-N 3.03Å
341R97.3Very high96.7Very high119 Ų11971.3 Ų71.345%0.44933%0.334SS..Hα-helixtrans-67.5-40.6174.4-169.8170.466.2-176.2-1.5111.9S336 N338 R339 R344 Y345S336-R341 VanDerWaalsContact OG-CZ 3.24Å; S336-R341 PolarHBondContact OG-NE 2.91Å; S336-R341 PolarHBondContact OG-NH2 3.11Å; N338-R341 HydrophobicContact CB-CB 3.94Å; N338-R341 WeakPolarHBondContact O-CB 3.23Å; N338-R341 PolarHBondContact O-N 3.25Å; N338-R341 VanDerWaalsContact O-N 3.09Å; N338-R341 PolarHBondContact OD1-N 3.48Å; R339-R341 VanDerWaalsContact C-N 3.31Å; R339-R341 PolarHBondContact O-N 3.28Å; R341-R344 PolarHBondContact O-N 3.19Å; R341-Y345 WeakPolarHBondContact CD-OH 3.46Å; R341-Y345 HydrophobicContact CG-CD2 4.49Å; R341-Y345 HydrophobicContact CG-CE1 3.88Å; R341-Y345 HydrophobicContact CG-CE2 3.85Å; R341-Y345 VanDerWaalsContact CG-CZ 3.5Å; R341-Y345 VanDerWaalsContact O-CG 3.3Å; R341-Y345 PolarHBondContact O-N 3.38Å
342M97.2Very high96.7Very high6 Ų673.8 Ų73.83%0.0334%0.342CS..Hα-helixtrans-59.1-48.8174.2-168.8-162.2-60.100111P298 E299 F334 Y335 S336 N338 R339 R344 Y345 I346P298-M342 HydrophobicContact CB-SD 4.39Å; E299-M342 HydrophobicContact CB-SD 4.33Å; E299-M342 HydrophobicContact CG-CE 3.91Å; E299-M342 HydrophobicContact CG-SD 3.89Å; F334-M342 VanDerWaalsContact O-CG 3.29Å; F334-M342 WeakPolarHBondContact O-CG 3.49Å; Y335-M342 HydrophobicContact CD2-CE 4.36Å; S336-M342 WeakPolarHBondContact O-CE 3.18Å; N338-M342 PolarHBondContact O-N 3.22Å; R339-M342 WeakPolarHBondContact O-CB 3.41Å; R339-M342 PolarHBondContact O-N 3.34Å; M342-R344 VanDerWaalsContact C-N 3.31Å; M342-R344 PolarHBondContact O-N 3.31Å; M342-Y345 WeakPolarHBondContact O-CA 3.46Å; M342-Y345 WeakPolarHBondContact O-CB 3.39Å; M342-Y345 PolarHBondContact O-N 2.97Å; M342-I346 HydrophobicContact CG-CD1 4.3Å; M342-I346 WeakPolarHBondContact O-CG1 3.14Å; M342-I346 PolarHBondContact O-N 3.44Å
343Y97.6Very high96.7Very high55 Ų5574.6 Ų74.622%0.21635%0.346CS..Hα-helixtrans-60.1-41.3176.7-67.2-12.4000112.2P298 L301 L306 R339 A340 Y345 I346 L347P298-Y343 HydrophobicContact CB-CE1 4.04Å; L301-Y343 HydrophobicContact CD1-CE1 4.19Å; L306-Y343 HydrophobicContact CD1-CD1 4.03Å; L306-Y343 HydrophobicContact CD1-CG 4.19Å; L306-Y343 HydrophobicContact CD2-CD1 3.84Å; L306-Y343 HydrophobicContact CD2-CD2 4.26Å; L306-Y343 HydrophobicContact CD2-CE1 3.92Å; L306-Y343 HydrophobicContact CD2-CE2 4.33Å; L306-Y343 HydrophobicContact CD2-CG 4.01Å; R339-Y343 WeakPolarHBondContact CD-OH 3.49Å; R339-Y343 HydrophobicContact CG-CD1 4.45Å; R339-Y343 HydrophobicContact CG-CD2 4.35Å; R339-Y343 HydrophobicContact CG-CE1 3.91Å; R339-Y343 HydrophobicContact CG-CE2 3.78Å; R339-Y343 VanDerWaalsContact O-CG 3.31Å; R339-Y343 PolarHBondContact O-N 3.34Å; A340-Y343 PolarHBondContact O-N 2.97Å; Y343-Y345 VanDerWaalsContact C-N 3.32Å; Y343-Y345 PolarHBondContact O-N 3.33Å; Y343-I346 HydrophobicContact CD1-CD1 4.35Å; Y343-I346 PolarHBondContact O-N 2.95Å; Y343-L347 VanDerWaalsContact O-CG 3.32Å; Y343-L347 WeakPolarHBondContact O-CG 3.38Å; Y343-L347 PolarHBondContact O-N 2.84Å
344R97.8Very high96.4Very high154 Ų15479 Ų7958%0.58136%0.361SS*.Hα-helixtrans-60.8-41.3173-170.8179.4170.1167.4-1.5112A340 R341 M342 L347 E348A340-R344 PolarHBondContact O-N 3.03Å; R341-R344 PolarHBondContact O-N 3.19Å; M342-R344 VanDerWaalsContact C-N 3.31Å; M342-R344 PolarHBondContact O-N 3.31Å; R344-L347 PolarHBondContact O-N 2.9Å; R344-E348 HydrophobicContact CG-CG 4.47Å; R344-E348 WeakPolarHBondContact CG-OE2 3.42Å; R344-E348 IonicContact CZ-OE2 3.46Å; R344-E348 IonicContact NE-OE1 3.93Å; R344-E348 IonicContact NE-OE2 2.78Å; R344-E348 PolarHBondContact NE-OE2 3.03Å; R344-E348 IonicContact NH2-OE2 3.3Å; R344-E348 PolarHBondContact NH2-OE2 3.04Å; R344-E348 WeakPolarHBondContact O-CB 3.31Å; R344-E348 PolarHBondContact O-N 3.4Å
345Y98Very high95.9Very high57 Ų5786.6 Ų86.622%0.22440%0.402CS..Hα-helixtrans-64.7-41.5175.3-65.4-16000112.6F334 R341 M342 Y343 L347 R349 K371F334-Y345 WeakPolarHBondContact CD1-O 3.42Å; R341-Y345 WeakPolarHBondContact CD-OH 3.46Å; R341-Y345 HydrophobicContact CG-CD2 4.49Å; R341-Y345 HydrophobicContact CG-CE1 3.88Å; R341-Y345 HydrophobicContact CG-CE2 3.85Å; R341-Y345 VanDerWaalsContact CG-CZ 3.5Å; R341-Y345 VanDerWaalsContact O-CG 3.3Å; R341-Y345 PolarHBondContact O-N 3.38Å; M342-Y345 WeakPolarHBondContact O-CA 3.46Å; M342-Y345 WeakPolarHBondContact O-CB 3.39Å; M342-Y345 PolarHBondContact O-N 2.97Å; Y343-Y345 VanDerWaalsContact C-N 3.32Å; Y343-Y345 PolarHBondContact O-N 3.33Å; Y345-L347 PolarHBondContact O-N 3.44Å; Y345-R349 HydrophobicContact CD1-CB 4.1Å; Y345-R349 HydrophobicContact CG-CB 4.29Å; Y345-R349 WeakPolarHBondContact O-CB 3.48Å; Y345-R349 PolarHBondContact O-N 3.24Å; Y345-K371 PolarHBondContact O-NZ 3.09Å
346I98Very high95.9Very high1 Ų187.5 Ų87.51%0.00542%0.418CS..Hα-helixtrans-60.4-34.9174.3-67.3169.4000110.8P298 L301 P303 L306 W318 F334 M342 Y343 K371P298-I346 WeakPolarHBondContact O-CD1 3.26Å; L301-I346 WeakPolarHBondContact O-CG2 3.3Å; P303-I346 HydrophobicContact CG-CG2 3.97Å; L306-I346 HydrophobicContact CD1-CB 3.8Å; L306-I346 HydrophobicContact CD1-CD1 4.17Å; L306-I346 HydrophobicContact CD1-CG2 3.53Å; W318-I346 HydrophobicContact CZ2-CG2 4Å; F334-I346 HydrophobicContact CB-CG1 3.68Å; F334-I346 HydrophobicContact CD2-CG1 3.97Å; F334-I346 HydrophobicContact CG-CG1 4.08Å; M342-I346 HydrophobicContact CG-CD1 4.3Å; M342-I346 WeakPolarHBondContact O-CG1 3.14Å; M342-I346 PolarHBondContact O-N 3.44Å; Y343-I346 HydrophobicContact CD1-CD1 4.35Å; Y343-I346 PolarHBondContact O-N 2.95Å; I346-K371 WeakPolarHBondContact O-CD 3.49Å; I346-K371 WeakPolarHBondContact O-CE 3.5Å; I346-K371 PolarHBondContact O-NZ 3.47Å
347L97.6Very high95.9Very high49 Ų4988.4 Ų88.426%0.25742%0.422SS..Hα-helixtrans-83.1-40.2-179.3-67.5172.1000113.9P303 L306 R307 Y343 R344 Y345P303-L347 HydrophobicContact CB-CD2 4.14Å; L306-L347 HydrophobicContact CB-CD2 4.06Å; L306-L347 HydrophobicContact CD1-CD2 4.42Å; L306-L347 HydrophobicContact CD1-CG 4.25Å; R307-L347 HydrophobicContact CG-CD2 3.86Å; Y343-L347 VanDerWaalsContact O-CG 3.32Å; Y343-L347 WeakPolarHBondContact O-CG 3.38Å; Y343-L347 PolarHBondContact O-N 2.84Å; R344-L347 PolarHBondContact O-N 2.9Å; Y345-L347 PolarHBondContact O-N 3.44Å
348E97Very high96.1Very high121 Ų12182 Ų8257%0.56540%0.397SS*.Hα-helixtrans-121.5-31.4-162.2-62171.4-168.300114.3R344 P350R344-E348 HydrophobicContact CG-CG 4.47Å; R344-E348 WeakPolarHBondContact CG-OE2 3.42Å; R344-E348 IonicContact CZ-OE2 3.46Å; R344-E348 IonicContact NE-OE1 3.93Å; R344-E348 IonicContact NE-OE2 2.78Å; R344-E348 PolarHBondContact NE-OE2 3.03Å; R344-E348 IonicContact NH2-OE2 3.3Å; R344-E348 PolarHBondContact NH2-OE2 3.04Å; R344-E348 WeakPolarHBondContact O-CB 3.31Å; R344-E348 PolarHBondContact O-N 3.4Å; E348-P350 WeakPolarHBondContact O-CD 3.38Å
349R97.2Very high96.1Very high92 Ų9284.6 Ų84.635%0.34741%0.41SS..PPolyproline II helixtrans-75.6128.7-170-173.9174.5172.8175.8-3.2110.2F334 Y345 K371F334-R349 HydrophobicContact CD1-CB 4.47Å; F334-R349 WeakPolarHBondContact CE1-O 3.44Å; Y345-R349 HydrophobicContact CD1-CB 4.1Å; Y345-R349 HydrophobicContact CG-CB 4.29Å; Y345-R349 WeakPolarHBondContact O-CB 3.48Å; Y345-R349 PolarHBondContact O-N 3.24Å; R349-K371 WeakPolarHBondContact O-CE 3.37Å; R349-K371 PolarHBondContact O-NZ 2.97Å
350P97Very high96.3Very high102 Ų10278 Ų7866%0.66239%0.388SS*.PPolyproline II helixtrans-61145.1171-22.733.5000111.4E348E348-P350 WeakPolarHBondContact O-CD 3.38Å
351L97.4Very high96.5Very high20 Ų2074.6 Ų74.611%0.10536%0.36CS..PPolyproline II helixtrans-62.4136.9172.7-176.266.8000109.7Y325 P333 F334 T353 L365 F366 L369Y325-L351 HydrophobicContact CD2-CD1 3.82Å; Y325-L351 HydrophobicContact CE2-CD1 3.67Å; P333-L351 HydrophobicContact CB-CD1 3.79Å; F334-L351 HydrophobicContact CZ-CD1 4.28Å; L351-T353 HydrophobicContact CD2-CG2 4.31Å; L351-T353 HydrophobicContact CG-CG2 4.4Å; L351-L365 HydrophobicContact CD2-CB 4.01Å; L351-F366 HydrophobicContact CB-CD1 4.3Å; L351-F366 HydrophobicContact CB-CE1 3.93Å; L351-F366 HydrophobicContact CD2-CD1 4.03Å; L351-F366 HydrophobicContact CD2-CE1 4.18Å; L351-F366 HydrophobicContact CD2-CG 4.27Å; L351-F366 HydrophobicContact CG-CE1 4.4Å; L351-L369 HydrophobicContact CD1-CD1 3.69Å; L351-L369 HydrophobicContact CD2-CB 4.33Å; L351-L369 HydrophobicContact CD2-CD1 3.94Å; L351-L369 HydrophobicContact CG-CD1 4.46Å
352K95.9Very high96.5Very high141 Ų14171.5 Ų71.561%0.61335%0.35SS*.  trans-117.6134.1171.6-67.5-170.1176.1-171.10108.9Y325Y325-K352 VanDerWaalsContact CE2-O 3.29Å; Y325-K352 WeakPolarHBondContact CE2-O 3.48Å; Y325-K352 PolarHBondContact OH-O 2.99Å; Y325-K352 VanDerWaalsContact OH-O 3.09Å
353T95Very high96.5Very high27 Ų2775 Ų7517%0.16637%0.369CS..  trans-121.1165.5-179.643.40000109.8L351 L357 E362 L365 F366L351-T353 HydrophobicContact CD2-CG2 4.31Å; L351-T353 HydrophobicContact CG-CG2 4.4Å; T353-L357 HydrophobicContact CG2-CD1 4.45Å; T353-E362 HydrophobicContact CG2-CG 4.33Å; T353-E362 PolarHBondContact OG1-OE1 3.1Å; T353-L365 HydrophobicContact CG2-CD1 4.08Å; T353-F366 HydrophobicContact CG2-CE2 4.25Å
354R91.3Very high96.6Very high107 Ų10772.4 Ų72.440%0.40436%0.359SS..  trans-83.8138.3171.1-64.7175.6-175.9170.95.1110L328 H329 T356 L357L328-R354 PolarHBondContact O-NH1 3.38Å; H329-R354 PolarHBondContact O-NH2 2.84Å; R354-T356 PolarHBondContact O-N 3.11Å; R354-L357 HydrophobicContact CB-CG 4.42Å; R354-L357 PolarHBondContact O-N 3.12Å; R354-L357 VanDerWaalsContact O-N 3.16Å
355N88.7Confident96.6Very high167 Ų16765 Ų6589%0.89333%0.331SS*.THydrogen-bonded Turntrans-63.1-13.2-180-42.816.4000113.2
356T94.6Very high96.7Very high120 Ų12066 Ų6674%0.73634%0.337SS*.THydrogen-bonded Turntrans-85.8-10.3-178.856.90000113.5R354R354-T356 PolarHBondContact O-N 3.11Å
357L96.7Very high96.7Very high25 Ų2571.3 Ų71.313%0.13136%0.357CS..SBendtrans-72.4146.6-179.5-64.4178.1000111E233 L328 T353 R354 T361 L365E233-L357 HydrophobicContact CG-CD2 4.35Å; E233-L357 WeakPolarHBondContact OE1-CA 3.33Å; L328-L357 HydrophobicContact CD1-CD2 4.46Å; L328-L357 HydrophobicContact CD2-CD2 4.29Å; T353-L357 HydrophobicContact CG2-CD1 4.45Å; R354-L357 HydrophobicContact CB-CG 4.42Å; R354-L357 PolarHBondContact O-N 3.12Å; R354-L357 VanDerWaalsContact O-N 3.16Å; L357-T361 HydrophobicContact CD1-CG2 4.42Å; L357-T361 HydrophobicContact CD2-CG2 4.28Å; L357-L365 HydrophobicContact CD1-CD1 4.17Å
358S97.6Very high96.7Very high42 Ų4269 Ų6929%0.29435%0.345SS..  trans-63149.617175.10000111.3E233 S360 T361 E362E233-S358 PolarHBondContact OE1-N 2.74Å; E233-S358 VanDerWaalsContact OE2-CB 3.31Å; E233-S358 WeakPolarHBondContact OE2-CB 3.03Å; E233-S358 PolarHBondContact OE2-OG 2.88Å; S358-S360 PolarHBondContact O-N 3.27Å; S358-S360 VanDerWaalsContact O-N 3.16Å; S358-S360 PolarHBondContact OG-OG 3.35Å; S358-S360 VanDerWaalsContact OG-OG 3.14Å; S358-T361 PolarHBondContact O-N 3.5Å; S358-T361 WeakPolarHBondContact OG-CB 3.2Å; S358-T361 PolarHBondContact OG-N 3.12Å; S358-T361 PolarHBondContact OG-OG1 2.94Å; S358-T361 VanDerWaalsContact OG-OG1 3.06Å; S358-E362 PolarHBondContact O-N 2.94Å
359L97.3Very high96.8Very high140 Ų14063.7 Ų63.773%0.73332%0.32SS*.Hα-helixtrans-54.3-37.7178.5-68.4173.5000112.6N363L359-N363 WeakPolarHBondContact O-CB 3.29Å; L359-N363 PolarHBondContact O-N 3.42Å
360S97.9Very high96.9Very high21 Ų2162.5 Ų62.515%0.14732%0.319CS..Hα-helixtrans-67.6-35.3177.644.80000113.2S358 I364S358-S360 PolarHBondContact O-N 3.27Å; S358-S360 VanDerWaalsContact O-N 3.16Å; S358-S360 PolarHBondContact OG-OG 3.35Å; S358-S360 VanDerWaalsContact OG-OG 3.14Å; S360-I364 PolarHBondContact O-N 2.78Å; S360-I364 VanDerWaalsContact O-N 3.1Å
361T98.5Very high96.9Very high0 Ų059.6 Ų59.60%030%0.296CS..Hα-helixtrans-75.7-43.4-179.9-65.50000111.1E233 L328 L357 S358 N363 I364 L365 F391E233-T361 HydrophobicContact CG-CG2 4.21Å; E233-T361 VanDerWaalsContact OE2-CB 3.25Å; E233-T361 WeakPolarHBondContact OE2-CB 3.47Å; E233-T361 PolarHBondContact OE2-OG1 3.14Å; L328-T361 HydrophobicContact CD1-CG2 3.43Å; L328-T361 VanDerWaalsContact CD1-CG2 3.43Å; L357-T361 HydrophobicContact CD1-CG2 4.42Å; L357-T361 HydrophobicContact CD2-CG2 4.28Å; S358-T361 PolarHBondContact O-N 3.5Å; S358-T361 WeakPolarHBondContact OG-CB 3.2Å; S358-T361 PolarHBondContact OG-N 3.12Å; S358-T361 PolarHBondContact OG-OG1 2.94Å; S358-T361 VanDerWaalsContact OG-OG1 3.06Å; T361-N363 VanDerWaalsContact C-N 3.34Å; T361-I364 VanDerWaalsContact O-CG2 3.26Å; T361-I364 WeakPolarHBondContact O-CG2 3.43Å; T361-L365 WeakPolarHBondContact O-CG 3.11Å; T361-L365 PolarHBondContact O-N 2.84Å; T361-F391 HydrophobicContact CG2-CD2 4.47Å; T361-F391 HydrophobicContact CG2-CE2 4.05Å; T361-F391 VanDerWaalsContact OG1-CD2 3.32Å; T361-F391 WeakPolarHBondContact OG1-CD2 3.4Å; T361-F391 VanDerWaalsContact OG1-CE2 3.29Å; T361-F391 WeakPolarHBondContact OG1-CE2 3.49Å
362E98.2Very high96.8Very high54 Ų5462.3 Ų62.325%0.25231%0.31SS..Hα-helixtrans-60.2-46171.5-179.5166.7-121.900111.3T353 S358 I364 L365 F366T353-E362 HydrophobicContact CG2-CG 4.33Å; T353-E362 PolarHBondContact OG1-OE1 3.1Å; S358-E362 PolarHBondContact O-N 2.94Å; E362-I364 PolarHBondContact O-N 3.31Å; E362-L365 WeakPolarHBondContact O-CB 3.41Å; E362-L365 PolarHBondContact O-N 3.25Å; E362-F366 HydrophobicContact CG-CD2 3.6Å; E362-F366 HydrophobicContact CG-CE2 3.44Å; E362-F366 VanDerWaalsContact CG-CE2 3.44Å; E362-F366 VanDerWaalsContact O-CD2 3.27Å; E362-F366 WeakPolarHBondContact O-CD2 3.32Å; E362-F366 PolarHBondContact O-N 3.49Å
363N98.2Very high96.8Very high80 Ų8057.8 Ų57.843%0.42829%0.29SS..Hα-helixtrans-61.7-43.1-179.1-170.8-105.1000112.7L359 T361 L365 F366 R367 H389L359-N363 WeakPolarHBondContact O-CB 3.29Å; L359-N363 PolarHBondContact O-N 3.42Å; T361-N363 VanDerWaalsContact C-N 3.34Å; N363-L365 VanDerWaalsContact C-N 3.32Å; N363-L365 PolarHBondContact O-N 2.81Å; N363-F366 PolarHBondContact O-N 2.94Å; N363-R367 WeakPolarHBondContact O-CB 3.36Å; N363-R367 WeakPolarHBondContact O-CG 3.37Å; N363-R367 PolarHBondContact O-N 3.25Å; N363-H389 PolarHBondContact OD1-NE2 3.27Å
364I98.7Very high96.8Very high0 Ų062 Ų620%031%0.311CS..Hα-helixtrans-64.7-38178.7-165.4154.5000112S360 T361 E362 R367 L368 L377 H389 F391 F392S360-I364 PolarHBondContact O-N 2.78Å; S360-I364 VanDerWaalsContact O-N 3.1Å; T361-I364 VanDerWaalsContact O-CG2 3.26Å; T361-I364 WeakPolarHBondContact O-CG2 3.43Å; E362-I364 PolarHBondContact O-N 3.31Å; I364-R367 PolarHBondContact O-N 3.45Å; I364-L368 HydrophobicContact CD1-CD1 4.26Å; I364-L368 HydrophobicContact CG1-CD1 3.69Å; I364-L368 HydrophobicContact CG1-CG 4.03Å; I364-L368 WeakPolarHBondContact O-CB 3.43Å; I364-L368 WeakPolarHBondContact O-CG 3.44Å; I364-L368 PolarHBondContact O-N 3.33Å; I364-L377 HydrophobicContact CD1-CD2 4.39Å; I364-L377 HydrophobicContact CG1-CD2 4.22Å; I364-H389 VanDerWaalsContact CB-CE1 3.43Å; I364-H389 WeakPolarHBondContact CB-CE1 3.26Å; I364-H389 HydrophobicContact CD1-CB 4.16Å; I364-H389 PolarHBondContact N-CE1 3.25Å; I364-F391 HydrophobicContact CB-CB 3.9Å; I364-F391 HydrophobicContact CB-CG 4.19Å; I364-F391 HydrophobicContact CD1-CB 3.74Å; I364-F391 HydrophobicContact CD1-CD1 3.71Å; I364-F391 HydrophobicContact CD1-CG 3.97Å; I364-F391 HydrophobicContact CG1-CB 4.42Å; I364-F391 HydrophobicContact CG2-CB 3.85Å; I364-F391 HydrophobicContact CG2-CD1 4.08Å; I364-F391 HydrophobicContact CG2-CD2 3.73Å; I364-F391 HydrophobicContact CG2-CE2 4.26Å; I364-F391 HydrophobicContact CG2-CG 3.62Å; I364-F392 HydrophobicContact CD1-CD2 4.05Å; I364-F392 HydrophobicContact CD1-CE2 3.44Å; I364-F392 VanDerWaalsContact CD1-CE2 3.44Å; I364-F392 HydrophobicContact CD1-CZ 4.12Å
365L98.8Very high97.1Very high0 Ų061.3 Ų61.30%032%0.315CS..Hα-helixtrans-61.7-48.2176-73.1174.7000111I324 Y325 L328 L351 T353 L357 T361 E362 N363 R367 L369I324-L365 HydrophobicContact CB-CD2 4.04Å; I324-L365 HydrophobicContact CG2-CD2 3.63Å; I324-L365 HydrophobicContact CG2-CG 4.32Å; Y325-L365 HydrophobicContact CD2-CD1 4.22Å; Y325-L365 HydrophobicContact CD2-CD2 4.36Å; L328-L365 HydrophobicContact CD1-CD1 4.1Å; L351-L365 HydrophobicContact CD2-CB 4.01Å; T353-L365 HydrophobicContact CG2-CD1 4.08Å; L357-L365 HydrophobicContact CD1-CD1 4.17Å; T361-L365 WeakPolarHBondContact O-CG 3.11Å; T361-L365 PolarHBondContact O-N 2.84Å; E362-L365 WeakPolarHBondContact O-CB 3.41Å; E362-L365 PolarHBondContact O-N 3.25Å; N363-L365 VanDerWaalsContact C-N 3.32Å; N363-L365 PolarHBondContact O-N 2.81Å; L365-R367 VanDerWaalsContact C-N 3.28Å; L365-R367 PolarHBondContact O-N 3.34Å; L365-L369 VanDerWaalsContact O-CB 3.25Å; L365-L369 WeakPolarHBondContact O-CB 3.44Å; L365-L369 WeakPolarHBondContact O-CG 3.48Å; L365-L369 PolarHBondContact O-N 3.24Å
366F98.4Very high97.6Very high78 Ų7853.5 Ų53.534%0.34227%0.273SS..Hα-helixtrans-62-35.9176.8-83.5-70.2000112.5L351 T353 E362 N363 Q370L351-F366 HydrophobicContact CB-CD1 4.3Å; L351-F366 HydrophobicContact CB-CE1 3.93Å; L351-F366 HydrophobicContact CD2-CD1 4.03Å; L351-F366 HydrophobicContact CD2-CE1 4.18Å; L351-F366 HydrophobicContact CD2-CG 4.27Å; L351-F366 HydrophobicContact CG-CE1 4.4Å; T353-F366 HydrophobicContact CG2-CE2 4.25Å; E362-F366 HydrophobicContact CG-CD2 3.6Å; E362-F366 HydrophobicContact CG-CE2 3.44Å; E362-F366 VanDerWaalsContact CG-CE2 3.44Å; E362-F366 VanDerWaalsContact O-CD2 3.27Å; E362-F366 WeakPolarHBondContact O-CD2 3.32Å; E362-F366 PolarHBondContact O-N 3.49Å; N363-F366 PolarHBondContact O-N 2.94Å; F366-Q370 WeakPolarHBondContact O-CG 3.19Å; F366-Q370 PolarHBondContact O-NE2 2.95Å
367R98.4Very high97.7Very high112 Ų11248.2 Ų48.242%0.42324%0.24SC..Hα-helixtrans-77.2-36.7-178.2-70.7-72.2-63.3-1573112.9N363 I364 L365 L377N363-R367 WeakPolarHBondContact O-CB 3.36Å; N363-R367 WeakPolarHBondContact O-CG 3.37Å; N363-R367 PolarHBondContact O-N 3.25Å; I364-R367 PolarHBondContact O-N 3.45Å; L365-R367 VanDerWaalsContact C-N 3.28Å; L365-R367 PolarHBondContact O-N 3.34Å; R367-L377 HydrophobicContact CB-CB 3.95Å; R367-L377 HydrophobicContact CB-CD2 4.31Å; R367-L377 PolarHBondContact O-N 3.21Å
368L98.7Very high97.8Very high0 Ų047.1 Ų47.10%024%0.236CC..Hα-helixtrans-77.6-34.3175.2-70.2171.9000113W317 L320 I324 I364 Q370 R376 L377 I386W317-L368 HydrophobicContact CB-CD2 4.03Å; L320-L368 HydrophobicContact CD2-CD1 4.28Å; L320-L368 HydrophobicContact CG-CD1 4.2Å; I324-L368 HydrophobicContact CD1-CD1 3.81Å; I364-L368 HydrophobicContact CD1-CD1 4.26Å; I364-L368 HydrophobicContact CG1-CD1 3.69Å; I364-L368 HydrophobicContact CG1-CG 4.03Å; I364-L368 WeakPolarHBondContact O-CB 3.43Å; I364-L368 WeakPolarHBondContact O-CG 3.44Å; I364-L368 PolarHBondContact O-N 3.33Å; L368-Q370 VanDerWaalsContact C-N 3.27Å; L368-Q370 PolarHBondContact O-N 2.79Å; L368-R376 WeakPolarHBondContact O-CD 3.19Å; L368-R376 WeakPolarHBondContact O-CG 3.35Å; L368-L377 HydrophobicContact CD2-CB 4.08Å; L368-L377 HydrophobicContact CD2-CD2 4.25Å; L368-L377 HydrophobicContact CG-CD2 4.42Å; L368-I386 HydrophobicContact CD2-CD1 3.56Å
369L98.6Very high97.6Very high9 Ų947.4 Ų47.45%0.04724%0.237CC..THydrogen-bonded Turntrans-93.829.9-178.1-61.9173.5000112.9W318 P333 L351 L365 K371W318-L369 HydrophobicContact CD2-CD2 4.01Å; W318-L369 HydrophobicContact CE3-CD2 4.08Å; W318-L369 HydrophobicContact CH2-CD2 4.41Å; W318-L369 HydrophobicContact CZ2-CD2 4.32Å; W318-L369 HydrophobicContact CZ3-CB 4.27Å; W318-L369 HydrophobicContact CZ3-CD2 4.3Å; W318-L369 WeakPolarHBondContact CZ3-O 3.38Å; P333-L369 HydrophobicContact CB-CD1 4.19Å; P333-L369 HydrophobicContact CG-CD1 4.05Å; L351-L369 HydrophobicContact CD1-CD1 3.69Å; L351-L369 HydrophobicContact CD2-CB 4.33Å; L351-L369 HydrophobicContact CD2-CD1 3.94Å; L351-L369 HydrophobicContact CG-CD1 4.46Å; L365-L369 VanDerWaalsContact O-CB 3.25Å; L365-L369 WeakPolarHBondContact O-CB 3.44Å; L365-L369 WeakPolarHBondContact O-CG 3.48Å; L365-L369 PolarHBondContact O-N 3.24Å; L369-K371 PolarHBondContact O-N 3.22Å
370Q98.3Very high97.3Very high68 Ų6848.2 Ų48.232%0.31824%0.237SC..  trans-67.1129.5169.1-72.1-63.3-43.300110.6W318 F366 L368 D372 N375 R376W318-Q370 WeakPolarHBondContact CZ3-O 3.35Å; F366-Q370 WeakPolarHBondContact O-CG 3.19Å; F366-Q370 PolarHBondContact O-NE2 2.95Å; L368-Q370 VanDerWaalsContact C-N 3.27Å; L368-Q370 PolarHBondContact O-N 2.79Å; Q370-D372 VanDerWaalsContact C-N 3.31Å; Q370-N375 HydrophobicContact CG-CB 4.46Å; Q370-R376 HydrophobicContact CB-CB 4.14Å; Q370-R376 HydrophobicContact CB-CG 4.47Å; Q370-R376 PolarHBondContact O-NE 3.15Å; Q370-R376 VanDerWaalsContact O-NE 3.11Å; Q370-R376 PolarHBondContact O-NH2 2.94Å; Q370-R376 VanDerWaalsContact O-NH2 3.12Å
371K97.6Very high97.1Very high41 Ų4152.2 Ų52.218%0.17826%0.257CS..SBendtrans-69.9-31.1-177.8-57.6-66.9-168.7-164.30112.7P303 W318 F334 Y345 I346 R349 L369P303-K371 HydrophobicContact CG-CB 4.44Å; P303-K371 HydrophobicContact CG-CD 3.89Å; W318-K371 HydrophobicContact CH2-CD 3.94Å; W318-K371 HydrophobicContact CZ3-CD 4.2Å; F334-K371 VanDerWaalsContact CE1-NZ 3.27Å; Y345-K371 PolarHBondContact O-NZ 3.09Å; I346-K371 WeakPolarHBondContact O-CD 3.49Å; I346-K371 WeakPolarHBondContact O-CE 3.5Å; I346-K371 PolarHBondContact O-NZ 3.47Å; R349-K371 WeakPolarHBondContact O-CE 3.37Å; R349-K371 PolarHBondContact O-NZ 2.97Å; L369-K371 PolarHBondContact O-N 3.22Å
372D96.5Very high96.9Very high76 Ų7654 Ų5441%0.40627%0.267SS..SBendtrans-88.9121.6170.6-174.9-13.3000108.3Q370 I374 N375 R376Q370-D372 VanDerWaalsContact C-N 3.31Å; D372-I374 PolarHBondContact O-N 2.74Å; D372-I374 PolarHBondContact OD1-N 3.38Å; D372-N375 PolarHBondContact O-N 3.11Å; D372-N375 PolarHBondContact OD2-ND2 2.79Å; D372-R376 PolarHBondContact O-N 3.03Å
373K95.5Very high96.9Very high46 Ų4653.7 Ų53.720%0.227%0.265CS..SBendtrans-64.4-27.3-177.670.3172-172.91670112.8E304 P310 D312 A314 N375 R376 S379E304-K373 HydrophobicContact CG-CD 4.46Å; P310-K373 PolarHBondContact O-NZ 2.79Å; D312-K373 IonicContact OD2-NZ 3.7Å; D312-K373 PolarHBondContact OD2-NZ 2.86Å; A314-K373 HydrophobicContact CB-CB 4.29Å; K373-N375 VanDerWaalsContact C-N 3.33Å; K373-R376 WeakPolarHBondContact O-CB 3.37Å; K373-R376 PolarHBondContact O-N 2.95Å; K373-S379 VanDerWaalsContact O-CB 3.22Å; K373-S379 WeakPolarHBondContact O-CB 2.93Å
374I95.1Very high96.8Very high117 Ų11754.5 Ų54.560%0.627%0.266SS*.THydrogen-bonded Turntrans-69.1-37.7-179.3-59.5175000110.1D372 R376 S379D372-I374 PolarHBondContact O-N 2.74Å; D372-I374 PolarHBondContact OD1-N 3.38Å; I374-R376 VanDerWaalsContact C-N 3.28Å; I374-R376 PolarHBondContact O-N 3.34Å; I374-S379 PolarHBondContact O-OG 3.3Å
375N97Very high96.7Very high92 Ų9256 Ų5649%0.49227%0.273SS..THydrogen-bonded Turntrans-83.2-4.2179.2-63.8-52.8000113.5Q370 D372 K373Q370-N375 HydrophobicContact CG-CB 4.46Å; D372-N375 PolarHBondContact O-N 3.11Å; D372-N375 PolarHBondContact OD2-ND2 2.79Å; K373-N375 VanDerWaalsContact C-N 3.33Å
376R98.1Very high96.7Very high2 Ų256 Ų561%0.00827%0.273CS..SBendtrans-75.9136.9-176.7-166.2177.8-60.9146.15.5110.4E304 A314 L368 Q370 D372 K373 I374 G378 S379E304-R376 IonicContact OE1-CZ 3.07Å; E304-R376 IonicContact OE1-NH1 2.8Å; E304-R376 PolarHBondContact OE1-NH1 3.16Å; E304-R376 IonicContact OE1-NH2 3.22Å; E304-R376 PolarHBondContact OE1-NH2 3.01Å; E304-R376 IonicContact OE2-CZ 2.96Å; E304-R376 IonicContact OE2-NH1 3.72Å; E304-R376 IonicContact OE2-NH2 3.75Å; E304-R376 PolarHBondContact OE2-NH2 3.25Å; A314-R376 WeakPolarHBondContact O-CD 3.33Å; A314-R376 PolarHBondContact O-NH1 3.07Å; L368-R376 WeakPolarHBondContact O-CD 3.19Å; L368-R376 WeakPolarHBondContact O-CG 3.35Å; Q370-R376 HydrophobicContact CB-CB 4.14Å; Q370-R376 HydrophobicContact CB-CG 4.47Å; Q370-R376 PolarHBondContact O-NE 3.15Å; Q370-R376 VanDerWaalsContact O-NE 3.11Å; Q370-R376 PolarHBondContact O-NH2 2.94Å; Q370-R376 VanDerWaalsContact O-NH2 3.12Å; D372-R376 PolarHBondContact O-N 3.03Å; K373-R376 WeakPolarHBondContact O-CB 3.37Å; K373-R376 PolarHBondContact O-N 2.95Å; I374-R376 VanDerWaalsContact C-N 3.28Å; I374-R376 PolarHBondContact O-N 3.34Å; R376-G378 PolarHBondContact O-N 3.09Å; R376-S379 WeakPolarHBondContact O-CB 3.27Å; R376-S379 PolarHBondContact O-N 3.48Å; R376-S379 VanDerWaalsContact O-N 3.11Å; R376-S379 PolarHBondContact O-OG 3.36Å
377L98.3Very high96.6Very high9 Ų953.1 Ų53.15%0.04726%0.262CS..THydrogen-bonded Turntrans-58.5132.6174.2-170.470.8000110.8I364 R367 L368 E385 I386 H389I364-L377 HydrophobicContact CD1-CD2 4.39Å; I364-L377 HydrophobicContact CG1-CD2 4.22Å; R367-L377 HydrophobicContact CB-CB 3.95Å; R367-L377 HydrophobicContact CB-CD2 4.31Å; R367-L377 PolarHBondContact O-N 3.21Å; L368-L377 HydrophobicContact CD2-CB 4.08Å; L368-L377 HydrophobicContact CD2-CD2 4.25Å; L368-L377 HydrophobicContact CG-CD2 4.42Å; L377-E385 HydrophobicContact CD1-CB 3.94Å; L377-E385 HydrophobicContact CG-CB 4.41Å; L377-I386 HydrophobicContact CB-CD1 4.34Å; L377-I386 HydrophobicContact CD2-CD1 3.93Å; L377-I386 HydrophobicContact CG-CD1 3.8Å; L377-H389 HydrophobicContact CD2-CB 4.27Å
378G97.3Very high96.5Very high3 Ų354.7 Ų54.73%0.03127%0.272CS..THydrogen-bonded Turntrans89.67.4-174.400000114.1W317 R376 D382 E385W317-G378 PolarHBondContact NE1-O 2.95Å; R376-G378 PolarHBondContact O-N 3.09Å; G378-D382 WeakPolarHBondContact CA-O 3.26Å; G378-D382 VanDerWaalsContact O-CA 3.26Å; G378-D382 WeakPolarHBondContact O-CA 3.49Å; G378-D382 PolarHBondContact O-N 3.36Å; G378-E385 PolarHBondContact N-OE2 3.46Å
379S95Very high96.5Very high47 Ų4755.6 Ų55.633%0.32928%0.276SS..SBendtrans-80.7-30.3177.865.30000113.9K373 I374 R376K373-S379 VanDerWaalsContact O-CB 3.22Å; K373-S379 WeakPolarHBondContact O-CB 2.93Å; I374-S379 PolarHBondContact O-OG 3.3Å; R376-S379 WeakPolarHBondContact O-CB 3.27Å; R376-S379 PolarHBondContact O-N 3.48Å; R376-S379 VanDerWaalsContact O-N 3.11Å; R376-S379 PolarHBondContact O-OG 3.36Å
380E90.9Very high96.5Very high157 Ų15763.3 Ų63.373%0.73431%0.305SS*.SBendtrans-94.3-52.2-176.4-44.7-178.6156.400111.8E385E380-E385 VanDerWaalsContact CA-OE1 3.32Å; E380-E385 WeakPolarHBondContact CA-OE1 3.4Å; E380-E385 WeakPolarHBondContact CB-OE1 3.19Å; E380-E385 PolarHBondContact N-OE1 3.22Å
381N93.2Very high96.5Very high106 Ų10660 Ų6057%0.56729%0.29SS*.SBendtrans-122.123.8-177.7-58.5-74.4000113.5F383 E384 E385N381-F383 PolarHBondContact O-N 3.32Å; N381-E384 HydrophobicContact CB-CB 4.22Å; N381-E384 VanDerWaalsContact O-CB 3.32Å; N381-E384 WeakPolarHBondContact O-CB 3.49Å; N381-E384 PolarHBondContact O-N 2.9Å; N381-E384 VanDerWaalsContact O-N 3.12Å; N381-E385 HydrophobicContact CB-CG 4.23Å; N381-E385 PolarHBondContact N-OE1 3.3Å
382D95.1Very high96.6Very high37 Ų3758.2 Ų58.220%0.19828%0.282CS..THydrogen-bonded Turntrans51.4-131.5171.8-162.6-105.4000113H251 W317 G378 E384 E385H251-D382 WeakPolarHBondContact CB-OD1 3.16Å; H251-D382 IonicContact CE1-OD2 2.69Å; H251-D382 IonicContact CG-OD1 3.69Å; H251-D382 IonicContact CG-OD2 2.74Å; H251-D382 VanDerWaalsContact ND1-CG 3.32Å; H251-D382 IonicContact ND1-OD1 2.61Å; H251-D382 PolarHBondContact ND1-OD1 3.48Å; H251-D382 IonicContact ND1-OD2 3.09Å; H251-D382 PolarHBondContact ND1-OD2 2.74Å; W317-D382 PolarHBondContact NE1-OD2 3.43Å; G378-D382 WeakPolarHBondContact CA-O 3.26Å; G378-D382 VanDerWaalsContact O-CA 3.26Å; G378-D382 WeakPolarHBondContact O-CA 3.49Å; G378-D382 PolarHBondContact O-N 3.36Å; D382-E384 PolarHBondContact O-N 3.07Å; D382-E384 VanDerWaalsContact O-N 3.11Å; D382-E385 PolarHBondContact O-N 3.15Å; D382-E385 VanDerWaalsContact O-N 3.17Å
383F96.4Very high96.6Very high48 Ų4862.1 Ų62.121%0.21129%0.291CS..Hα-helixtrans-58.4-23.9-178.2179.8-112.9000114.5A244 W317 N381 E385 I386 S387 W397A244-F383 VanDerWaalsContact C-CE2 3.4Å; A244-F383 HydrophobicContact CB-CD2 4.22Å; A244-F383 HydrophobicContact CB-CE2 3.85Å; A244-F383 VanDerWaalsContact O-CD2 3.23Å; A244-F383 WeakPolarHBondContact O-CD2 3.33Å; A244-F383 WeakPolarHBondContact O-CE2 3.23Å; W317-F383 HydrophobicContact CH2-CB 4.13Å; W317-F383 HydrophobicContact CH2-CD2 4.01Å; W317-F383 HydrophobicContact CZ2-CB 4.12Å; N381-F383 PolarHBondContact O-N 3.32Å; F383-E385 VanDerWaalsContact C-N 3.32Å; F383-E385 PolarHBondContact O-N 3.26Å; F383-I386 HydrophobicContact CD2-CB 4.32Å; F383-I386 PolarHBondContact O-N 3.47Å; F383-S387 WeakPolarHBondContact O-CB 3.34Å; F383-S387 PolarHBondContact O-N 3.34Å; F383-S387 PolarHBondContact O-OG 3.23Å; F383-S387 VanDerWaalsContact O-OG 3.08Å; F383-W397 AromaticContact CE2-CH2 3.97Å; F383-W397 HydrophobicContact CE2-CH2 3.97Å; F383-W397 AromaticContact CE2-CZ3 3.88Å; F383-W397 HydrophobicContact CE2-CZ3 3.88Å; F383-W397 HydrophobicContact CZ-CD2 4.43Å; F383-W397 AromaticContact CZ-CE3 3.8Å; F383-W397 HydrophobicContact CZ-CE3 3.8Å; F383-W397 AromaticContact CZ-CH2 3.93Å; F383-W397 HydrophobicContact CZ-CH2 3.93Å; F383-W397 AromaticContact CZ-CZ3 3.52Å; F383-W397 HydrophobicContact CZ-CZ3 3.52Å
384E96.2Very high96.6Very high96 Ų9664.8 Ų64.845%0.44931%0.307SS..Hα-helixtrans-65.2-37178.6-172.167.7-178.500111.7N381 D382 S387 K388N381-E384 HydrophobicContact CB-CB 4.22Å; N381-E384 VanDerWaalsContact O-CB 3.32Å; N381-E384 WeakPolarHBondContact O-CB 3.49Å; N381-E384 PolarHBondContact O-N 2.9Å; N381-E384 VanDerWaalsContact O-N 3.12Å; D382-E384 PolarHBondContact O-N 3.07Å; D382-E384 VanDerWaalsContact O-N 3.11Å; E384-S387 PolarHBondContact O-OG 2.98Å; E384-K388 HydrophobicContact CG-CD 4.38Å; E384-K388 WeakPolarHBondContact O-CB 3.41Å; E384-K388 WeakPolarHBondContact O-CG 3.01Å; E384-K388 PolarHBondContact O-N 2.69Å; E384-K388 WeakPolarHBondContact OE1-CE 3.36Å; E384-K388 IonicContact OE1-NZ 2.78Å; E384-K388 PolarHBondContact OE1-NZ 2.87Å
385E97.1Very high96.7Very high32 Ų3260.2 Ų60.215%0.1528%0.284CS..Hα-helixtrans-67.6-42.9172.9-80.6176.1-135.700111.9L377 G378 E380 N381 D382 F383 H389L377-E385 HydrophobicContact CD1-CB 3.94Å; L377-E385 HydrophobicContact CG-CB 4.41Å; G378-E385 PolarHBondContact N-OE2 3.46Å; E380-E385 VanDerWaalsContact CA-OE1 3.32Å; E380-E385 WeakPolarHBondContact CA-OE1 3.4Å; E380-E385 WeakPolarHBondContact CB-OE1 3.19Å; E380-E385 PolarHBondContact N-OE1 3.22Å; N381-E385 HydrophobicContact CB-CG 4.23Å; N381-E385 PolarHBondContact N-OE1 3.3Å; D382-E385 PolarHBondContact O-N 3.15Å; D382-E385 VanDerWaalsContact O-N 3.17Å; F383-E385 VanDerWaalsContact C-N 3.32Å; F383-E385 PolarHBondContact O-N 3.26Å; E385-H389 PolarHBondContact O-N 2.94Å
386I98Very high96.7Very high0 Ų058.7 Ų58.70%028%0.275CS..Hα-helixtrans-62.2-51.1-177.9-53.9-73.9000109A244 W317 L320 L368 L377 F383 K388 H389 F392A244-I386 HydrophobicContact CB-CG2 3.84Å; W317-I386 HydrophobicContact CD2-CD1 3.8Å; W317-I386 HydrophobicContact CD2-CG1 3.92Å; W317-I386 HydrophobicContact CE3-CD1 3.71Å; W317-I386 HydrophobicContact CE3-CG1 3.8Å; W317-I386 HydrophobicContact CG-CD1 4.19Å; W317-I386 HydrophobicContact CH2-CG1 3.98Å; W317-I386 HydrophobicContact CZ2-CG1 4.06Å; W317-I386 HydrophobicContact CZ3-CB 4.47Å; W317-I386 HydrophobicContact CZ3-CD1 4.22Å; W317-I386 HydrophobicContact CZ3-CG1 3.83Å; W317-I386 HydrophobicContact CZ3-CG2 4.26Å; L320-I386 HydrophobicContact CD2-CG2 4.38Å; L368-I386 HydrophobicContact CD2-CD1 3.56Å; L377-I386 HydrophobicContact CB-CD1 4.34Å; L377-I386 HydrophobicContact CD2-CD1 3.93Å; L377-I386 HydrophobicContact CG-CD1 3.8Å; F383-I386 HydrophobicContact CD2-CB 4.32Å; F383-I386 PolarHBondContact O-N 3.47Å; I386-K388 VanDerWaalsContact C-N 3.3Å; I386-K388 PolarHBondContact O-N 3.06Å; I386-H389 VanDerWaalsContact O-CB 3.28Å; I386-H389 WeakPolarHBondContact O-CB 3.3Å; I386-H389 PolarHBondContact O-N 2.88Å; I386-H389 VanDerWaalsContact O-N 3.13Å; I386-F392 HydrophobicContact CG2-CD2 4.46Å; I386-F392 HydrophobicContact CG2-CE2 3.68Å; I386-F392 HydrophobicContact CG2-CZ 4.35Å; I386-F392 WeakPolarHBondContact O-CD2 3.43Å
387S97Very high96.7Very high17 Ų1761.1 Ų61.112%0.11929%0.285CS..Hα-helixtrans-66-29.5-174.264.40000113.9F383 E384 W397F383-S387 WeakPolarHBondContact O-CB 3.34Å; F383-S387 PolarHBondContact O-N 3.34Å; F383-S387 PolarHBondContact O-OG 3.23Å; F383-S387 VanDerWaalsContact O-OG 3.08Å; E384-S387 PolarHBondContact O-OG 2.98Å; S387-W397 VanDerWaalsContact CA-CZ2 3.49Å; S387-W397 PolarHBondContact O-NE1 2.94Å
388K97.4Very high96.5Very high146 Ų14666.4 Ų66.464%0.63531%0.312SS*.Hα-helixtrans-82.1-11.2176.4-73.2176.4178.7162.20114.2E384 I386E384-K388 HydrophobicContact CG-CD 4.38Å; E384-K388 WeakPolarHBondContact O-CB 3.41Å; E384-K388 WeakPolarHBondContact O-CG 3.01Å; E384-K388 PolarHBondContact O-N 2.69Å; E384-K388 WeakPolarHBondContact OE1-CE 3.36Å; E384-K388 IonicContact OE1-NZ 2.78Å; E384-K388 PolarHBondContact OE1-NZ 2.87Å; I386-K388 VanDerWaalsContact C-N 3.3Å; I386-K388 PolarHBondContact O-N 3.06Å
389H98.6Very high96.5Very high19 Ų1971 Ų719%0.08833%0.331CS..SBendtrans-62.3140.1-177.6-168.8-86.7000111.4N363 I364 L377 E385 I386 F391 F392N363-H389 PolarHBondContact OD1-NE2 3.27Å; I364-H389 VanDerWaalsContact CB-CE1 3.43Å; I364-H389 WeakPolarHBondContact CB-CE1 3.26Å; I364-H389 HydrophobicContact CD1-CB 4.16Å; I364-H389 PolarHBondContact N-CE1 3.25Å; L377-H389 HydrophobicContact CD2-CB 4.27Å; E385-H389 PolarHBondContact O-N 2.94Å; I386-H389 VanDerWaalsContact O-CB 3.28Å; I386-H389 WeakPolarHBondContact O-CB 3.3Å; I386-H389 PolarHBondContact O-N 2.88Å; I386-H389 VanDerWaalsContact O-N 3.13Å; H389-F391 VanDerWaalsContact ND1-CB 3.29Å; H389-F391 WeakPolarHBondContact ND1-CB 3.44Å; H389-F391 PolarHBondContact ND1-N 3.41Å; H389-F391 VanDerWaalsContact ND1-N 3.12Å; H389-F391 PolarHBondContact O-N 2.52Å; H389-F392 HydrophobicContact CB-CD2 4.37Å; H389-F392 PolarHBondContact O-N 3.37Å
390R98.3Very high96.6Very high170 Ų17068.7 Ų68.764%0.64232%0.315SS*.G310 helixtrans-56.6-25.6-176.4-169.6174.6-175.4177.53.3113.9F392 R393R390-F392 PolarHBondContact O-N 3.31Å; R390-R393 WeakPolarHBondContact O-CB 3.46Å; R390-R393 WeakPolarHBondContact O-CG 3.48Å; R390-R393 PolarHBondContact O-N 2.96Å
391F98.7Very high96.8Very high0 Ų064.9 Ų64.90%030%0.299CS..G310 helixtrans-55.7-35.4171.8177.8-104.4000112.7T236 R237 A240 T361 I364 H389T236-F391 HydrophobicContact CG2-CZ 4.41Å; R237-F391 HydrophobicContact CB-CE1 3.92Å; R237-F391 HydrophobicContact CB-CE2 4.24Å; R237-F391 HydrophobicContact CB-CZ 3.65Å; R237-F391 WeakPolarHBondContact CD-O 3.36Å; R237-F391 HydrophobicContact CG-CD1 4.24Å; R237-F391 HydrophobicContact CG-CE1 3.87Å; R237-F391 HydrophobicContact CG-CZ 4.05Å; R237-F391 WeakPolarHBondContact CG-O 3.45Å; R237-F391 PolarHBondContact NE-O 2.96Å; A240-F391 HydrophobicContact CB-CE1 4.01Å; T361-F391 HydrophobicContact CG2-CD2 4.47Å; T361-F391 HydrophobicContact CG2-CE2 4.05Å; T361-F391 VanDerWaalsContact OG1-CD2 3.32Å; T361-F391 WeakPolarHBondContact OG1-CD2 3.4Å; T361-F391 VanDerWaalsContact OG1-CE2 3.29Å; T361-F391 WeakPolarHBondContact OG1-CE2 3.49Å; I364-F391 HydrophobicContact CB-CB 3.9Å; I364-F391 HydrophobicContact CB-CG 4.19Å; I364-F391 HydrophobicContact CD1-CB 3.74Å; I364-F391 HydrophobicContact CD1-CD1 3.71Å; I364-F391 HydrophobicContact CD1-CG 3.97Å; I364-F391 HydrophobicContact CG1-CB 4.42Å; I364-F391 HydrophobicContact CG2-CB 3.85Å; I364-F391 HydrophobicContact CG2-CD1 4.08Å; I364-F391 HydrophobicContact CG2-CD2 3.73Å; I364-F391 HydrophobicContact CG2-CE2 4.26Å; I364-F391 HydrophobicContact CG2-CG 3.62Å; H389-F391 VanDerWaalsContact ND1-CB 3.29Å; H389-F391 WeakPolarHBondContact ND1-CB 3.44Å; H389-F391 PolarHBondContact ND1-N 3.41Å; H389-F391 VanDerWaalsContact ND1-N 3.12Å; H389-F391 PolarHBondContact O-N 2.52Å
392F98.5Very high96.9Very high2 Ų264.7 Ų64.71%0.00930%0.295CS..G310 helixtrans-98.211.2179.8-61.1-70.2000113.8R237 A240 A241 I364 I386 H389 R390 D394 I395 W397R237-F392 HydrophobicContact CG-CD1 4.11Å; A240-F392 HydrophobicContact CB-CE1 3.88Å; A240-F392 HydrophobicContact CB-CZ 4.07Å; A241-F392 HydrophobicContact CB-CD1 3.97Å; A241-F392 HydrophobicContact CB-CE1 3.92Å; I364-F392 HydrophobicContact CD1-CD2 4.05Å; I364-F392 HydrophobicContact CD1-CE2 3.44Å; I364-F392 VanDerWaalsContact CD1-CE2 3.44Å; I364-F392 HydrophobicContact CD1-CZ 4.12Å; I386-F392 HydrophobicContact CG2-CD2 4.46Å; I386-F392 HydrophobicContact CG2-CE2 3.68Å; I386-F392 HydrophobicContact CG2-CZ 4.35Å; I386-F392 WeakPolarHBondContact O-CD2 3.43Å; H389-F392 HydrophobicContact CB-CD2 4.37Å; H389-F392 PolarHBondContact O-N 3.37Å; R390-F392 PolarHBondContact O-N 3.31Å; F392-D394 PolarHBondContact O-N 3.38Å; F392-I395 HydrophobicContact CB-CB 4.49Å; F392-I395 HydrophobicContact CB-CG1 4.3Å; F392-I395 HydrophobicContact CD1-CG1 4.15Å; F392-I395 WeakPolarHBondContact O-CB 3.32Å; F392-I395 PolarHBondContact O-N 3.16Å; F392-W397 HydrophobicContact CB-CZ2 3.72Å; F392-W397 HydrophobicContact CD1-CH2 4.18Å; F392-W397 HydrophobicContact CD1-CZ2 4.17Å; F392-W397 HydrophobicContact CD2-CZ2 4.31Å; F392-W397 HydrophobicContact CG-CH2 4.21Å; F392-W397 AromaticContact CG-CZ2 3.83Å; F392-W397 HydrophobicContact CG-CZ2 3.83Å
393R97Very high97Very high158 Ų15866.3 Ų66.360%0.59630%0.298SS*.THydrogen-bonded Turntrans-54.2-30.8-175.476.2-177.3-175.1175.2-6.6114.1R390 I395R390-R393 WeakPolarHBondContact O-CB 3.46Å; R390-R393 WeakPolarHBondContact O-CG 3.48Å; R390-R393 PolarHBondContact O-N 2.96Å; R393-I395 VanDerWaalsContact C-N 3.33Å
394D95.4Very high97.1Very high103 Ų10370.3 Ų70.355%0.55132%0.316SS*.THydrogen-bonded Turntrans-92.96.7-175.6-57.5-48.3000111.8F392F392-D394 PolarHBondContact O-N 3.38Å
395I98Very high97.1Very high21 Ų2167.6 Ų67.611%0.10830%0.304CS..  trans-95.8117176.8-59.9-60.5000109.9R237 A241 F392 R393 W397 L400R237-I395 HydrophobicContact CG-CD1 4.12Å; R237-I395 HydrophobicContact CG-CG1 4.09Å; A241-I395 HydrophobicContact CB-CD1 4.28Å; A241-I395 HydrophobicContact CB-CG1 4.09Å; A241-I395 HydrophobicContact CB-CG2 4.08Å; F392-I395 HydrophobicContact CB-CB 4.49Å; F392-I395 HydrophobicContact CB-CG1 4.3Å; F392-I395 HydrophobicContact CD1-CG1 4.15Å; F392-I395 WeakPolarHBondContact O-CB 3.32Å; F392-I395 PolarHBondContact O-N 3.16Å; R393-I395 VanDerWaalsContact C-N 3.33Å; I395-W397 HydrophobicContact CG2-CD2 3.95Å; I395-W397 HydrophobicContact CG2-CE3 4.19Å; I395-W397 HydrophobicContact CG2-CG 4.33Å; I395-W397 HydrophobicContact CG2-CZ2 4.35Å; I395-W397 PolarHBondContact O-N 2.61Å; I395-L400 HydrophobicContact CG2-CB 4.42Å; I395-L400 HydrophobicContact CG2-CD2 4.12Å
396D97.2Very high97Very high59 Ų5972.6 Ų72.632%0.31634%0.337SS..  trans-81.599.9164-177-30.3000108.5I398 K399 L400D396-I398 VanDerWaalsContact C-N 3.26Å; D396-I398 PolarHBondContact O-N 2.91Å; D396-I398 PolarHBondContact OD1-N 3.03Å; D396-K399 HydrophobicContact CB-CB 4.1Å; D396-K399 HydrophobicContact CB-CD 4.18Å; D396-K399 HydrophobicContact CB-CG 4.33Å; D396-K399 PolarHBondContact O-N 3.46Å; D396-K399 PolarHBondContact OD1-N 3.34Å; D396-K399 WeakPolarHBondContact OD2-CD 3.08Å; D396-K399 WeakPolarHBondContact OD2-CE 3.32Å; D396-K399 WeakPolarHBondContact OD2-CG 3.12Å; D396-K399 IonicContact OD2-NZ 3.12Å; D396-K399 PolarHBondContact OD2-NZ 3.22Å; D396-L400 WeakPolarHBondContact O-CB 3.43Å; D396-L400 PolarHBondContact O-N 2.91Å
397W96.2Very high97Very high54 Ų5473.2 Ų73.221%0.20534%0.342CS..Hα-helixtrans-62-31.5-174.9-67.2101.7000113.4A241 F383 S387 F392 I395 L400 L401A241-W397 HydrophobicContact CB-CH2 3.93Å; A241-W397 HydrophobicContact CB-CZ3 3.97Å; A241-W397 WeakPolarHBondContact O-CZ3 3.33Å; F383-W397 AromaticContact CE2-CH2 3.97Å; F383-W397 HydrophobicContact CE2-CH2 3.97Å; F383-W397 AromaticContact CE2-CZ3 3.88Å; F383-W397 HydrophobicContact CE2-CZ3 3.88Å; F383-W397 HydrophobicContact CZ-CD2 4.43Å; F383-W397 AromaticContact CZ-CE3 3.8Å; F383-W397 HydrophobicContact CZ-CE3 3.8Å; F383-W397 AromaticContact CZ-CH2 3.93Å; F383-W397 HydrophobicContact CZ-CH2 3.93Å; F383-W397 AromaticContact CZ-CZ3 3.52Å; F383-W397 HydrophobicContact CZ-CZ3 3.52Å; S387-W397 VanDerWaalsContact CA-CZ2 3.49Å; S387-W397 PolarHBondContact O-NE1 2.94Å; F392-W397 HydrophobicContact CB-CZ2 3.72Å; F392-W397 HydrophobicContact CD1-CH2 4.18Å; F392-W397 HydrophobicContact CD1-CZ2 4.17Å; F392-W397 HydrophobicContact CD2-CZ2 4.31Å; F392-W397 HydrophobicContact CG-CH2 4.21Å; F392-W397 AromaticContact CG-CZ2 3.83Å; F392-W397 HydrophobicContact CG-CZ2 3.83Å; I395-W397 HydrophobicContact CG2-CD2 3.95Å; I395-W397 HydrophobicContact CG2-CE3 4.19Å; I395-W397 HydrophobicContact CG2-CG 4.33Å; I395-W397 HydrophobicContact CG2-CZ2 4.35Å; I395-W397 PolarHBondContact O-N 2.61Å; W397-L400 HydrophobicContact CE3-CD2 3.8Å; W397-L400 HydrophobicContact CZ3-CD2 3.89Å; W397-L400 PolarHBondContact O-N 3.04Å; W397-L401 WeakPolarHBondContact O-CG 3.49Å; W397-L401 PolarHBondContact O-N 3.23Å
398I95.4Very high96.9Very high119 Ų11975.4 Ų75.461%0.6136%0.356SS*.Hα-helixtrans-68.8-52177.4-59.8178.4000108.9D396 L400 L401 E402D396-I398 VanDerWaalsContact C-N 3.26Å; D396-I398 PolarHBondContact O-N 2.91Å; D396-I398 PolarHBondContact OD1-N 3.03Å; I398-L400 PolarHBondContact O-N 3.37Å; I398-L401 PolarHBondContact O-N 2.93Å; I398-E402 WeakPolarHBondContact O-CG 3.49Å; I398-E402 PolarHBondContact O-N 3.14Å
399K97.8Very high96.9Very high99 Ų9970.2 Ų70.243%0.4333%0.333SS..Hα-helixtrans-62.4-32.2176.2-71.2-179.7-169143.50112.6D396 R403 K404 L405D396-K399 HydrophobicContact CB-CB 4.1Å; D396-K399 HydrophobicContact CB-CD 4.18Å; D396-K399 HydrophobicContact CB-CG 4.33Å; D396-K399 PolarHBondContact O-N 3.46Å; D396-K399 PolarHBondContact OD1-N 3.34Å; D396-K399 WeakPolarHBondContact OD2-CD 3.08Å; D396-K399 WeakPolarHBondContact OD2-CE 3.32Å; D396-K399 WeakPolarHBondContact OD2-CG 3.12Å; D396-K399 IonicContact OD2-NZ 3.12Å; D396-K399 PolarHBondContact OD2-NZ 3.22Å; K399-R403 PolarHBondContact O-N 3.02Å; K399-K404 HydrophobicContact CB-CB 4.21Å; K399-K404 HydrophobicContact CG-CB 4.47Å; K399-K404 PolarHBondContact O-N 3.21Å; K399-L405 HydrophobicContact CB-CD2 3.71Å; K399-L405 HydrophobicContact CB-CG 4.06Å; K399-L405 HydrophobicContact CD-CD2 4.27Å
400L96.7Very high96.7Very high0 Ų074.9 Ų74.90%036%0.358CS..Hα-helixtrans-61.6-56.4174.3-17574.1000109.8F195 F238 A241 Q242 I395 D396 W397 I398 E402 R403 L405F195-L400 HydrophobicContact CE2-CD2 4.13Å; F195-L400 HydrophobicContact CE2-CG 3.85Å; F195-L400 HydrophobicContact CZ-CD1 4.24Å; F195-L400 HydrophobicContact CZ-CG 3.88Å; F195-L400 VanDerWaalsContact CZ-O 3.28Å; F195-L400 WeakPolarHBondContact CZ-O 3.29Å; F238-L400 HydrophobicContact CE2-CD1 4.27Å; A241-L400 HydrophobicContact CB-CD2 3.68Å; Q242-L400 HydrophobicContact CG-CD1 3.82Å; Q242-L400 HydrophobicContact CG-CD2 4.45Å; Q242-L400 HydrophobicContact CG-CG 4.4Å; I395-L400 HydrophobicContact CG2-CB 4.42Å; I395-L400 HydrophobicContact CG2-CD2 4.12Å; D396-L400 WeakPolarHBondContact O-CB 3.43Å; D396-L400 PolarHBondContact O-N 2.91Å; W397-L400 HydrophobicContact CE3-CD2 3.8Å; W397-L400 HydrophobicContact CZ3-CD2 3.89Å; W397-L400 PolarHBondContact O-N 3.04Å; I398-L400 PolarHBondContact O-N 3.37Å; L400-E402 VanDerWaalsContact C-N 3.29Å; L400-E402 PolarHBondContact O-N 3.35Å; L400-R403 WeakPolarHBondContact O-CA 3.4Å; L400-R403 PolarHBondContact O-N 3.07Å; L400-L405 HydrophobicContact CB-CD1 3.87Å; L400-L405 HydrophobicContact CD1-CD1 3.73Å; L400-L405 HydrophobicContact CG-CD1 4.42Å
401L94.5Very high96.5Very high77 Ų7767.1 Ų67.140%0.40333%0.33SS..Hα-helixtrans-60.5-36-179.6-75.7170.8000113P194 F195 S245 W397 I398 R403P194-L401 HydrophobicContact CG-CD2 3.97Å; P194-L401 WeakPolarHBondContact CG-O 3.39Å; F195-L401 HydrophobicContact CE2-CD2 4.43Å; S245-L401 WeakPolarHBondContact OG-CD2 3.25Å; W397-L401 WeakPolarHBondContact O-CG 3.49Å; W397-L401 PolarHBondContact O-N 3.23Å; I398-L401 PolarHBondContact O-N 2.93Å; L401-R403 PolarHBondContact O-N 2.97Å
402E95.7Very high96.2Very high101 Ų10170.3 Ų70.347%0.47235%0.352SS..THydrogen-bonded Turntrans-75.6-1.4173.3-65.6-177.4128.500113.6I398 L400 K404I398-E402 WeakPolarHBondContact O-CG 3.49Å; I398-E402 PolarHBondContact O-N 3.14Å; L400-E402 VanDerWaalsContact C-N 3.29Å; L400-E402 PolarHBondContact O-N 3.35Å; E402-K404 VanDerWaalsContact C-N 3.28Å; E402-K404 HydrophobicContact CB-CD 3.99Å; E402-K404 HydrophobicContact CB-CG 3.94Å; E402-K404 PolarHBondContact O-N 3.11Å; E402-K404 IonicContact OE1-NZ 2.77Å; E402-K404 PolarHBondContact OE1-NZ 2.8Å; E402-K404 VanDerWaalsContact OE1-NZ 3.09Å; E402-K404 VanDerWaalsContact OE2-CD 3.31Å; E402-K404 WeakPolarHBondContact OE2-CD 3.39Å; E402-K404 VanDerWaalsContact OE2-CE 3.24Å; E402-K404 WeakPolarHBondContact OE2-CE 3.46Å; E402-K404 IonicContact OE2-NZ 3.91Å; E402-K404 PolarHBondContact OE2-NZ 2.9Å
403R97.1Very high95.9Very high72 Ų7272 Ų7227%0.27236%0.362SS..THydrogen-bonded Turntrans55.840.2-177.4-56.7-177.652.8137.43.5113.3P194 F195 D268 Y272 K399 L400 L401P194-R403 HydrophobicContact CB-CG 4Å; F195-R403 HydrophobicContact CE1-CG 4.04Å; F195-R403 HydrophobicContact CZ-CG 4.45Å; D268-R403 IonicContact OD1-NH2 3.21Å; D268-R403 PolarHBondContact OD1-NH2 3.22Å; D268-R403 IonicContact OD2-CZ 3.97Å; D268-R403 IonicContact OD2-NH1 2.84Å; D268-R403 PolarHBondContact OD2-NH1 3.46Å; D268-R403 IonicContact OD2-NH2 3.87Å; D268-R403 PolarHBondContact OD2-NH2 2.8Å; Y272-R403 HydrophobicContact CD1-CG 4.42Å; Y272-R403 HydrophobicContact CE1-CB 4.02Å; Y272-R403 HydrophobicContact CE1-CG 4.12Å; Y272-R403 HydrophobicContact CE2-CB 4.44Å; Y272-R403 VanDerWaalsContact OH-CA 3.3Å; Y272-R403 WeakPolarHBondContact OH-CA 3.25Å; Y272-R403 PolarHBondContact OH-O 2.62Å; Y272-R403 VanDerWaalsContact OH-O 3.04Å; K399-R403 PolarHBondContact O-N 3.02Å; L400-R403 WeakPolarHBondContact O-CA 3.4Å; L400-R403 PolarHBondContact O-N 3.07Å; L401-R403 PolarHBondContact O-N 2.97Å
404K97.4Very high95.7Very high132 Ų13269.4 Ų69.457%0.57436%0.364SS*.  trans-99.5-7.9178.7-67.2-180-174.5160.80113.8K399 E402K399-K404 HydrophobicContact CB-CB 4.21Å; K399-K404 HydrophobicContact CG-CB 4.47Å; K399-K404 PolarHBondContact O-N 3.21Å; E402-K404 VanDerWaalsContact C-N 3.28Å; E402-K404 HydrophobicContact CB-CD 3.99Å; E402-K404 HydrophobicContact CB-CG 3.94Å; E402-K404 PolarHBondContact O-N 3.11Å; E402-K404 IonicContact OE1-NZ 2.77Å; E402-K404 PolarHBondContact OE1-NZ 2.8Å; E402-K404 VanDerWaalsContact OE1-NZ 3.09Å; E402-K404 VanDerWaalsContact OE2-CD 3.31Å; E402-K404 WeakPolarHBondContact OE2-CD 3.39Å; E402-K404 VanDerWaalsContact OE2-CE 3.24Å; E402-K404 WeakPolarHBondContact OE2-CE 3.46Å; E402-K404 IonicContact OE2-NZ 3.91Å; E402-K404 PolarHBondContact OE2-NZ 2.9Å
405L96.6Very high95.5Very high39 Ų3967 Ų6720%0.20436%0.356CS..SBendtrans-73.8144.7173.5-63.6-173.9000110.6F238 Y272 K399 L400 A407F238-L405 HydrophobicContact CE2-CB 3.95Å; Y272-L405 PolarHBondContact OH-N 3.13Å; Y272-L405 PolarHBondContact OH-O 3.43Å; K399-L405 HydrophobicContact CB-CD2 3.71Å; K399-L405 HydrophobicContact CB-CG 4.06Å; K399-L405 HydrophobicContact CD-CD2 4.27Å; L400-L405 HydrophobicContact CB-CD1 3.87Å; L400-L405 HydrophobicContact CD1-CD1 3.73Å; L400-L405 HydrophobicContact CG-CD1 4.42Å; L405-A407 PolarHBondContact O-N 3.33Å
406T96.3Very high95.2Very high136 Ų13669.4 Ų69.483%0.83437%0.374SS*.PPolyproline II helixtrans-78.9123.3175.6-58.90000109.1
407A96.7Very high94.9Very high13 Ų1368.9 Ų68.911%0.10737%0.373CS..PPolyproline II helixtrans-66.7132.5176.600000110F238 K270 L405 F409 L410F238-A407 HydrophobicContact CE1-CB 3.78Å; F238-A407 HydrophobicContact CZ-CB 3.86Å; K270-A407 VanDerWaalsContact O-CB 3.23Å; K270-A407 WeakPolarHBondContact O-CB 3.38Å; L405-A407 PolarHBondContact O-N 3.33Å; A407-F409 PolarHBondContact O-N 3.29Å; A407-L410 HydrophobicContact CB-CD2 4.47Å
408P96.1Very high94.7Very high64 Ų6467.1 Ų67.142%0.41637%0.368SS..SBendtrans-72-9.1-179.529-33.5000113R235 F238R235-P408 HydrophobicContact CB-CB 4.36Å; R235-P408 HydrophobicContact CB-CG 3.99Å; R235-P408 HydrophobicContact CG-CG 3.99Å; F238-P408 HydrophobicContact CB-CG 4Å; F238-P408 HydrophobicContact CD1-CG 3.91Å; F238-P408 HydrophobicContact CG-CG 4.05Å
409F96Very high94.5Very high36 Ų3662.7 Ų62.716%0.15835%0.346CS..  trans-145.1133.8176.6168.4-97.7000109.3H224 R235 L267 G271 A407 P411H224-F409 AromaticContact CE1-CE1 3.56Å; H224-F409 AromaticContact CE1-CZ 3.66Å; H224-F409 AromaticContact ND1-CE1 3.57Å; H224-F409 AromaticContact ND1-CZ 3.51Å; R235-F409 VanDerWaalsContact CZ-CB 3.44Å; R235-F409 VanDerWaalsContact CZ-CG 3.4Å; L267-F409 HydrophobicContact CD1-CD1 3.88Å; L267-F409 HydrophobicContact CD1-CE1 3.9Å; G271-F409 WeakPolarHBondContact CA-O 3.47Å; A407-F409 PolarHBondContact O-N 3.29Å; F409-P411 HydrophobicContact CD1-CG 4.23Å; F409-P411 HydrophobicContact CE1-CB 4.1Å; F409-P411 HydrophobicContact CE1-CG 3.74Å
410L95.5Very high94.2Very high117 Ų11763.7 Ų63.761%0.61335%0.348SS*.  trans-111.3117.9173.5-68.8173.6000108.8K270 A407K270-L410 WeakPolarHBondContact O-CD2 3.29Å; A407-L410 HydrophobicContact CB-CD2 4.47Å
411P93.6Very high93.8Very high8 Ų864.6 Ų64.65%0.05235%0.352CS..  trans-59.6144.3173.5-20.931.2000111.2L267 D268 F409 V413L267-P411 HydrophobicContact CB-CG 3.92Å; L267-P411 HydrophobicContact CD1-CG 4.21Å; D268-P411 WeakPolarHBondContact O-CG 3.41Å; F409-P411 HydrophobicContact CD1-CG 4.23Å; F409-P411 HydrophobicContact CE1-CB 4.1Å; F409-P411 HydrophobicContact CE1-CG 3.74Å; P411-V413 HydrophobicContact CB-CG2 4.22Å; P411-V413 PolarHBondContact O-N 3.11Å; P411-V413 VanDerWaalsContact O-N 3.11Å
412S92.6Very high93.4Very high66 Ų6662.3 Ų62.346%0.46234%0.34SS..  trans-69.4110.8172.2-172.20000108.7R420 N421S412-R420 VanDerWaalsContact O-CD 3.26Å; S412-R420 WeakPolarHBondContact O-CD 3.38Å; S412-R420 PolarHBondContact OG-NH1 3.49Å; S412-N421 PolarHBondContact O-ND2 3.44Å
413V92.6Very high92.8Very high38 Ų3859.9 Ų59.923%0.2333%0.334CS..  trans-142.2128.2179.21750000107.6N217 P411 S415 D418N217-V413 WeakPolarHBondContact ND2-CG1 3.31Å; P411-V413 HydrophobicContact CB-CG2 4.22Å; P411-V413 PolarHBondContact O-N 3.11Å; P411-V413 VanDerWaalsContact O-N 3.11Å; V413-S415 WeakPolarHBondContact CG1-O 3.27Å; V413-D418 HydrophobicContact CG1-CB 4.16Å
414T91.7Very high92.1Very high103 Ų10360.8 Ų60.863%0.63235%0.349SS*.  trans-104.9-19.4-17752.70000114.6D418 R420T414-D418 PolarHBondContact N-OD2 3.29Å; T414-D418 PolarHBondContact OG1-OD2 2.84Å; T414-R420 PolarHBondContact OG1-NH2 2.91Å
415S92.7Very high91.6Very high53 Ų5361 Ų6137%0.37135%0.352SS..SBendtrans-156168.6179.165.20000111N217 V413 T417 D418N217-S415 PolarHBondContact ND2-O 3.42Å; V413-S415 WeakPolarHBondContact CG1-O 3.27Å; S415-T417 PolarHBondContact O-N 2.95Å; S415-D418 WeakPolarHBondContact O-CB 3.32Å; S415-D418 PolarHBondContact O-N 3.18Å; S415-D418 PolarHBondContact OG-N 3.18Å
416S90.6Very high91Very high71 Ų7160.9 Ų60.950%0.49735%0.35SS..THydrogen-bonded Turntrans-62.5-21.9175.753.80000113.4A160 Y215A160-S416 VanDerWaalsContact CB-O 3.22Å; A160-S416 WeakPolarHBondContact CB-O 3.07Å; Y215-S416 WeakPolarHBondContact CD1-O 3.19Å; Y215-S416 WeakPolarHBondContact CE1-O 3.4Å
417T91.4Very high90.4Very high49 Ų4955.2 Ų55.230%0.30132%0.315SS..THydrogen-bonded Turntrans-107.211.9-179.455.40000112.9L151 V153 A160 S415 T419L151-T417 HydrophobicContact CD2-CG2 4.42Å; V153-T417 HydrophobicContact CG2-CG2 3.6Å; A160-T417 HydrophobicContact CB-CG2 4.16Å; S415-T417 PolarHBondContact O-N 2.95Å; T417-T419 PolarHBondContact O-N 3.33Å
418D91.9Very high89.7Confident16 Ų1660.8 Ų60.89%0.08634%0.344CS..  trans-67.4120.8-178-168.1-21.5000111.5Y215 V413 T414 S415 R420Y215-D418 PolarHBondContact OH-O 2.92Å; V413-D418 HydrophobicContact CG1-CB 4.16Å; T414-D418 PolarHBondContact N-OD2 3.29Å; T414-D418 PolarHBondContact OG1-OD2 2.84Å; S415-D418 WeakPolarHBondContact O-CB 3.32Å; S415-D418 PolarHBondContact O-N 3.18Å; S415-D418 PolarHBondContact OG-N 3.18Å; D418-R420 VanDerWaalsContact OD1-CB 3.32Å; D418-R420 WeakPolarHBondContact OD1-CB 3.37Å; D418-R420 WeakPolarHBondContact OD1-CG 3.26Å; D418-R420 PolarHBondContact OD1-N 2.81Å; D418-R420 IonicContact OD1-NE 3.29Å; D418-R420 PolarHBondContact OD1-NE 2.69Å; D418-R420 IonicContact OD2-CZ 3.31Å; D418-R420 IonicContact OD2-NE 2.7Å; D418-R420 PolarHBondContact OD2-NE 3.2Å; D418-R420 IonicContact OD2-NH2 2.8Å; D418-R420 PolarHBondContact OD2-NH2 3.04Å
419T90.8Very high88.9Confident26 Ų2659.6 Ų59.616%0.1634%0.336CS..  trans-103.713.6-178.964.90000113.6I141 L151 T417 N421 I422I141-T419 HydrophobicContact CG2-CG2 4.3Å; L151-T419 HydrophobicContact CD2-CG2 3.85Å; T417-T419 PolarHBondContact O-N 3.33Å; T419-N421 PolarHBondContact O-N 2.74Å; T419-I422 WeakPolarHBondContact O-CB 3.45Å; T419-I422 PolarHBondContact O-N 3.29Å
420R91.7Very high87.9Confident121 Ų12162.6 Ų62.646%0.45736%0.362SS..THydrogen-bonded Turntrans-63.4-27-174.576.7179.367.9-166.9-18.3114.7S412 T414 D418 I422S412-R420 VanDerWaalsContact O-CD 3.26Å; S412-R420 WeakPolarHBondContact O-CD 3.38Å; S412-R420 PolarHBondContact OG-NH1 3.49Å; T414-R420 PolarHBondContact OG1-NH2 2.91Å; D418-R420 VanDerWaalsContact OD1-CB 3.32Å; D418-R420 WeakPolarHBondContact OD1-CB 3.37Å; D418-R420 WeakPolarHBondContact OD1-CG 3.26Å; D418-R420 PolarHBondContact OD1-N 2.81Å; D418-R420 IonicContact OD1-NE 3.29Å; D418-R420 PolarHBondContact OD1-NE 2.69Å; D418-R420 IonicContact OD2-CZ 3.31Å; D418-R420 IonicContact OD2-NE 2.7Å; D418-R420 PolarHBondContact OD2-NE 3.2Å; D418-R420 IonicContact OD2-NH2 2.8Å; D418-R420 PolarHBondContact OD2-NH2 3.04Å; R420-I422 VanDerWaalsContact C-N 3.29Å
421N88.7Confident87Confident19 Ų1958.2 Ų58.210%0.10234%0.34CS..THydrogen-bonded Turntrans-93.110.9178.5-54.5-53.8000112N217 S412 T419N217-N421 PolarHBondContact O-ND2 3.39Å; S412-N421 PolarHBondContact O-ND2 3.44Å; T419-N421 PolarHBondContact O-N 2.74Å
422I85Confident86.1Confident29 Ų2960.2 Ų60.215%0.14935%0.353CS..SBendtrans-101.6143.3174-54.2-60.9000108.5I141 T419 R420 F426 V427I141-I422 HydrophobicContact CB-CG2 4.16Å; I141-I422 WeakPolarHBondContact O-CG2 3.38Å; T419-I422 WeakPolarHBondContact O-CB 3.45Å; T419-I422 PolarHBondContact O-N 3.29Å; R420-I422 VanDerWaalsContact C-N 3.29Å; I422-F426 HydrophobicContact CG2-CD2 4.37Å; I422-V427 HydrophobicContact CB-CG2 3.88Å; I422-V427 HydrophobicContact CG2-CG2 3.8Å
423S83.8Confident84.8Confident49 Ų4963.2 Ų63.234%0.34336%0.364SS..  trans-53.5130.7178.9177.90000111.5E425 F426 V427S423-E425 PolarHBondContact O-N 3.26Å; S423-E425 VanDerWaalsContact O-N 3.11Å; S423-E425 PolarHBondContact OG-N 3.18Å; S423-F426 PolarHBondContact O-N 2.75Å; S423-F426 VanDerWaalsContact O-N 3.14Å; S423-V427 PolarHBondContact O-N 2.92Å
424P83.1Confident83.5Confident91 Ų9164.7 Ų64.759%0.59138%0.376SS*.Hα-helixtrans-56.1-26.4176.6-26.934.9000114F426 V427 N428P424-F426 VanDerWaalsContact C-N 3.26Å; P424-F426 PolarHBondContact O-N 2.87Å; P424-V427 PolarHBondContact O-N 3.3Å; P424-N428 WeakPolarHBondContact O-CB 3.28Å; P424-N428 VanDerWaalsContact O-CG 3.24Å; P424-N428 PolarHBondContact O-N 3.16Å; P424-N428 PolarHBondContact O-ND2 2.87Å; P424-N428 VanDerWaalsContact O-ND2 3.16Å
425E85.9Confident82.3Confident137 Ų13760.3 Ų60.364%0.6435%0.349SS*.Hα-helixtrans-60.8-37.3179.589.9-179.6-150.500111.9S423S423-E425 PolarHBondContact O-N 3.26Å; S423-E425 VanDerWaalsContact O-N 3.11Å; S423-E425 PolarHBondContact OG-N 3.18Å
426F84.9Confident80.6Confident37 Ų3762.6 Ų62.616%0.16236%0.355CS..Hα-helixtrans-81.9-45179.7-54-50.6000111.1T140 E143 I422 S423 P424 N428 S429T140-F426 WeakPolarHBondContact CB-O 3.27Å; T140-F426 CarbonylContact O-C 3.35Å; E143-F426 HydrophobicContact CB-CD1 4.37Å; E143-F426 HydrophobicContact CB-CE1 3.99Å; I422-F426 HydrophobicContact CG2-CD2 4.37Å; S423-F426 PolarHBondContact O-N 2.75Å; S423-F426 VanDerWaalsContact O-N 3.14Å; P424-F426 VanDerWaalsContact C-N 3.26Å; P424-F426 PolarHBondContact O-N 2.87Å; F426-N428 PolarHBondContact O-N 3.07Å; F426-S429 WeakPolarHBondContact O-CB 3.37Å; F426-S429 PolarHBondContact O-N 3.27Å
427V82.4Confident78.3Confident16 Ų1664.1 Ų64.110%0.09737%0.365CS..Hα-helixtrans-60.4-31.8-177174.70000111.4K139 I422 S423 P424 S429K139-V427 HydrophobicContact CD-CG1 3.86Å; K139-V427 WeakPolarHBondContact CE-O 3.43Å; I422-V427 HydrophobicContact CB-CG2 3.88Å; I422-V427 HydrophobicContact CG2-CG2 3.8Å; S423-V427 PolarHBondContact O-N 2.92Å; P424-V427 PolarHBondContact O-N 3.3Å; V427-S429 VanDerWaalsContact C-N 3.34Å
428N82.2Confident76Confident131 Ų13162.7 Ų62.770%0.70136%0.357SS*.THydrogen-bonded Turntrans-85.8-5.1177.9-65.1-24.7000113.5P424 F426P424-N428 WeakPolarHBondContact O-CB 3.28Å; P424-N428 VanDerWaalsContact O-CG 3.24Å; P424-N428 PolarHBondContact O-N 3.16Å; P424-N428 PolarHBondContact O-ND2 2.87Å; P424-N428 VanDerWaalsContact O-ND2 3.16Å; F426-N428 PolarHBondContact O-N 3.07Å
429S80.1Confident73.4Confident38 Ų3866.6 Ų66.627%0.26638%0.381SS..SBendtrans-77.1134.2177.2-164.30000111.3K148 F426 V427K148-S429 PolarHBondContact NZ-OG 3.04Å; F426-S429 WeakPolarHBondContact O-CB 3.37Å; F426-S429 PolarHBondContact O-N 3.27Å; V427-S429 VanDerWaalsContact C-N 3.34Å
430S75.5Confident71.1Confident100 Ų10065.7 Ų65.770%0.69938%0.375SS*.PPolyproline II helixtrans-68.9143178.5520000112.4
431V76.3Confident68.7Low25 Ų2569.5 Ų69.515%0.15239%0.39CS..PPolyproline II helixtrans-80.7126.4171.1179.90000108.2I137 Y150 N433 L435 I436I137-V431 HydrophobicContact CB-CG1 4.29Å; I137-V431 HydrophobicContact CG2-CG1 3.57Å; I137-V431 HydrophobicContact CG2-CG2 4.27Å; Y150-V431 HydrophobicContact CD1-CG1 4.34Å; Y150-V431 HydrophobicContact CD1-CG2 4.25Å; Y150-V431 HydrophobicContact CE1-CG1 4.27Å; Y150-V431 HydrophobicContact CE1-CG2 4.47Å; V431-N433 PolarHBondContact O-N 3.18Å; V431-L435 HydrophobicContact CG1-CB 4.45Å; V431-I436 HydrophobicContact CB-CD1 4.26Å; V431-I436 HydrophobicContact CG1-CD1 4.12Å; V431-I436 HydrophobicContact CG1-CG1 3.93Å
432P74.3Confident66.6Low49 Ų4970.9 Ų70.932%0.31840%0.404SS..PPolyproline II helixtrans-60.1134.9178.4-22.531.9000112.3S434 L435P432-S434 PolarHBondContact O-N 3.44Å; P432-S434 VanDerWaalsContact O-N 3.07Å; P432-L435 HydrophobicContact CB-CD1 4.42Å; P432-L435 HydrophobicContact CG-CD1 4.15Å; P432-L435 PolarHBondContact O-N 3.37Å
433N64.4Low64.5Low129 Ų12977.9 Ų77.969%0.6943%0.428SS*.Hα-helixtrans-55.1-29.4176.5-75.5-8.8000113.4V431 L435 I436 C437V431-N433 PolarHBondContact O-N 3.18Å; N433-L435 PolarHBondContact O-N 3.04Å; N433-I436 PolarHBondContact O-N 2.93Å; N433-C437 PolarHBondContact O-N 2.88Å
434S66.5Low62.4Low69 Ų6980.6 Ų80.648%0.48344%0.439SS..Hα-helixtrans-64.9-18.9177.255.80000114.1P432 S438P432-S434 PolarHBondContact O-N 3.44Å; P432-S434 VanDerWaalsContact O-N 3.07Å; S434-S438 WeakPolarHBondContact O-CB 2.98Å
435L65.5Low60.6Low12 Ų1281.7 Ų81.76%0.06344%0.436CS..Hα-helixtrans-92.5-20.5171.5-79.7153000112.5L132 Y150 V165 Y210 V431 P432 N433L132-L435 HydrophobicContact CD1-CD2 4.19Å; Y150-L435 HydrophobicContact CD2-CD1 4.33Å; Y150-L435 HydrophobicContact CE1-CD1 4.19Å; Y150-L435 HydrophobicContact CE2-CD1 3.56Å; Y150-L435 VanDerWaalsContact CZ-CD1 3.47Å; Y150-L435 WeakPolarHBondContact OH-CD1 3.42Å; V165-L435 HydrophobicContact CG2-CD2 4.3Å; Y210-L435 HydrophobicContact CE1-CD2 4.16Å; V431-L435 HydrophobicContact CG1-CB 4.45Å; P432-L435 HydrophobicContact CB-CD1 4.42Å; P432-L435 HydrophobicContact CG-CD1 4.15Å; P432-L435 PolarHBondContact O-N 3.37Å; N433-L435 PolarHBondContact O-N 3.04Å
436I57.1Low58.5Low100 Ų10083.4 Ų83.451%0.51344%0.444SS..Hα-helixtrans-84.4-37.3-178.7-60.6169.8000110.7V431 N433V431-I436 HydrophobicContact CB-CD1 4.26Å; V431-I436 HydrophobicContact CG1-CD1 4.12Å; V431-I436 HydrophobicContact CG1-CG1 3.93Å; N433-I436 PolarHBondContact O-N 2.93Å
437C42.4Very low56.9Low103 Ų10384.7 Ų84.770%0.69647%0.467SS*.SBendtrans-1078.2-173.4-75.40000114.9N433 V439N433-C437 PolarHBondContact O-N 2.88Å; C437-V439 PolarHBondContact O-N 3.3Å
438S44.1Very low55.7Low19 Ų1986 Ų8613%0.13347%0.473CS..  trans-76.290.5-175.762.30000112S434 M440S434-S438 WeakPolarHBondContact O-CB 2.98Å; S438-M440 WeakPolarHBondContact OG-CE 3.29Å; S438-M440 PolarHBondContact O-N 2.78Å; S438-M440 WeakPolarHBondContact O-CG 3.4Å; S438-M440 VanDerWaalsContact C-N 3.28Å
439V36.4Very low55Low98 Ų9881 Ų8159%0.59445%0.447SS*.  trans-64.792.2161.7-1770000107.3D133 C437 R441D133-V439 WeakPolarHBondContact OD1-CA 3.43Å; C437-V439 PolarHBondContact O-N 3.3Å; V439-R441 PolarHBondContact O-N 2.81Å
440M43.5Very low54.7Low8 Ų883.8 Ų83.84%0.03946%0.455CS..  trans-95.5101.8-175.2-64.5-140.5-17900109.4D118 I120 S131 L132 D133 S438D118-M440 HydrophobicContact CB-CE 3.26Å; D118-M440 HydrophobicContact CB-SD 3.96Å; D118-M440 WeakPolarHBondContact O-CG 3.15Å; I120-M440 HydrophobicContact CD1-CB 3.29Å; I120-M440 HydrophobicContact CD1-CG 3.79Å; I120-M440 HydrophobicContact CD1-SD 3.39Å; I120-M440 WeakPolarHBondContact CD1-SD 3.26Å; I120-M440 HydrophobicContact CG1-CB 3.71Å; I120-M440 HydrophobicContact CG1-CG 4.08Å; I120-M440 HydrophobicContact CG1-SD 3.27Å; I120-M440 WeakPolarHBondContact CG1-SD 3.36Å; S131-M440 PolarHBondContact OG-O 3.3Å; L132-M440 HydrophobicContact CD1-CE 3.67Å; L132-M440 HydrophobicContact CD1-SD 4Å; D133-M440 PolarHBondContact OD2-N 3.09Å; S438-M440 WeakPolarHBondContact OG-CE 3.29Å; S438-M440 PolarHBondContact O-N 2.78Å; S438-M440 WeakPolarHBondContact O-CG 3.4Å; S438-M440 VanDerWaalsContact C-N 3.28Å
441R40.4Very low55.1Low201 Ų20182.2 Ų82.276%0.75844%0.441SS*.  trans-80.7117.7175.8-74.3-179.2170149.4-2.2110.2V439V439-R441 PolarHBondContact O-N 2.81Å
442A44.1Very low55.5Low48 Ų4881 Ų8140%0.39743%0.434SS..  trans-63.1134.5173.900000111.3L122 K128L122-A442 HydrophobicContact CD1-CB 4.39Å; K128-A442 WeakPolarHBondContact O-CB 3.18Å
443R42.3Very low55.9Low176 Ų17681.1 Ų81.166%0.66444%0.436SS*.  trans-126150.1172.9-110.1-176.6169.3168-3111.1H445R443-H445 PolarHBondContact O-N 3.16Å
444N39.7Very low56.8Low106 Ų10676.3 Ų76.357%0.56742%0.417SS*.SBendtrans-73.2119167.9-67.8-25.3000109.5K128 H446K128-N444 VanDerWaalsContact CE-OD1 3.32Å; K128-N444 WeakPolarHBondContact CE-OD1 3.23Å; K128-N444 PolarHBondContact NZ-ND2 3.1Å; K128-N444 PolarHBondContact NZ-OD1 3.36Å; N444-H446 VanDerWaalsContact C-N 3.3Å; N444-H446 PolarHBondContact O-N 2.6Å
445H45.4Very low57.7Low114 Ų11473 Ų7353%0.52839%0.394SS..SBendtrans52.2-7.5154.8-66.3-22.4000123.2R443 I448R443-H445 PolarHBondContact O-N 3.16Å; H445-I448 HydrophobicContact CB-CD1 4.19Å; H445-I448 VanDerWaalsContact ND1-CD1 3.29Å; H445-I448 WeakPolarHBondContact ND1-CD1 3.42Å
446H41.1Very low58.7Low173 Ų17372.9 Ų72.980%0.80139%0.394SS*.THydrogen-bonded Turntrans-94117.5177.8-82.225.3000112.2N444N444-H446 VanDerWaalsContact C-N 3.3Å; N444-H446 PolarHBondContact O-N 2.6Å
447G50.5Low59.9Low63 Ų6370.1 Ų70.165%0.64938%0.378SS*.THydrogen-bonded Turntrans102.29.3179.300000115.5D449G447-D449 PolarHBondContact O-N 3.16Å
448I57.1Low61.4Low43 Ų4366.8 Ų66.822%0.22135%0.354CS..  trans-71123.8178.4-54173.5000109.2D121 H445 E450D121-I448 HydrophobicContact CB-CD1 4.06Å; D121-I448 HydrophobicContact CB-CG1 3.75Å; D121-I448 VanDerWaalsContact CG-CG1 3.44Å; D121-I448 VanDerWaalsContact OD1-CD1 3.31Å; D121-I448 WeakPolarHBondContact OD1-CD1 3.42Å; D121-I448 WeakPolarHBondContact OD2-CD1 3.38Å; D121-I448 WeakPolarHBondContact OD2-CG1 3.44Å; D121-I448 VanDerWaalsContact OD2-CG2 3.27Å; D121-I448 WeakPolarHBondContact OD2-CG2 3.24Å; H445-I448 HydrophobicContact CB-CD1 4.19Å; H445-I448 VanDerWaalsContact ND1-CD1 3.29Å; H445-I448 WeakPolarHBondContact ND1-CD1 3.42Å; I448-E450 PolarHBondContact O-N 3.01Å
449D67.5Low62.7Low28 Ų2868.2 Ų68.215%0.1536%0.363CS..  trans-64.698.6166.8-174.72.5000109.7K168 K172 G447 T451 F452K168-D449 HydrophobicContact CD-CB 4.39Å; K172-D449 WeakPolarHBondContact CE-OD1 3.48Å; K172-D449 WeakPolarHBondContact CE-OD2 3.37Å; K172-D449 IonicContact NZ-OD1 3.46Å; K172-D449 PolarHBondContact NZ-OD1 3.06Å; K172-D449 IonicContact NZ-OD2 3.46Å; K172-D449 PolarHBondContact NZ-OD2 3.42Å; G447-D449 PolarHBondContact O-N 3.16Å; D449-T451 PolarHBondContact OD1-OG1 3.02Å; D449-T451 PolarHBondContact OD1-N 3.45Å; D449-T451 PolarHBondContact O-N 3.05Å; D449-T451 WeakPolarHBondContact OD1-CB 3.29Å; D449-F452 HydrophobicContact CB-CD2 4.39Å; D449-F452 PolarHBondContact O-N 3.43Å; D449-F452 VanDerWaalsContact OD2-CD2 3.31Å; D449-F452 WeakPolarHBondContact OD2-CD2 3.45Å; D449-F452 WeakPolarHBondContact OD2-CE2 3.42Å
450E75.6Confident63.6Low96 Ų9668 Ų6845%0.44936%0.362SS..G310 helixtrans-55.4-22.1-177.1-66.2-170.415900112.8I448 F452 S453I448-E450 PolarHBondContact O-N 3.01Å; E450-F452 PolarHBondContact O-N 3.38Å; E450-S453 VanDerWaalsContact O-CB 3.23Å; E450-S453 WeakPolarHBondContact O-CB 3.35Å; E450-S453 PolarHBondContact O-N 3.43Å; E450-S453 VanDerWaalsContact O-N 3.08Å
451T82.6Confident63.8Low66 Ų6675.7 Ų75.741%0.40540%0.395SS..G310 helixtrans-55.1-34.4174.1-43.70000112.8K172 V177 D449K172-T451 WeakPolarHBondContact CE-OG1 3.37Å; V177-T451 HydrophobicContact CB-CG2 4.35Å; V177-T451 HydrophobicContact CG1-CG2 3.72Å; V177-T451 HydrophobicContact CG2-CG2 3.76Å; D449-T451 PolarHBondContact OD1-OG1 3.02Å; D449-T451 PolarHBondContact OD1-N 3.45Å; D449-T451 PolarHBondContact O-N 3.05Å; D449-T451 WeakPolarHBondContact OD1-CB 3.29Å
452F85Confident63.4Low0 Ų073.7 Ų73.70%040%0.399CS..G310 helixtrans-108.227.6-179.7-59.9-76000111.9K168 V171 K172 V177 M181 Q204 L209 D449 E450 G454 F455K168-F452 HydrophobicContact CB-CE2 3.8Å; K168-F452 HydrophobicContact CB-CZ 4.4Å; K168-F452 HydrophobicContact CD-CD2 3.9Å; K168-F452 HydrophobicContact CD-CE2 3.98Å; K168-F452 HydrophobicContact CG-CD2 3.95Å; K168-F452 HydrophobicContact CG-CE2 3.61Å; K168-F452 HydrophobicContact CG-CZ 4.29Å; V171-F452 HydrophobicContact CB-CE1 4.5Å; V171-F452 HydrophobicContact CB-CZ 4.11Å; V171-F452 HydrophobicContact CG1-CE1 3.84Å; V171-F452 HydrophobicContact CG1-CZ 3.85Å; K172-F452 HydrophobicContact CD-CE2 4.47Å; K172-F452 HydrophobicContact CG-CE2 4.21Å; K172-F452 HydrophobicContact CG-CZ 4.19Å; V177-F452 HydrophobicContact CB-CE1 4.23Å; V177-F452 HydrophobicContact CG1-CD1 4.1Å; V177-F452 HydrophobicContact CG1-CE1 3.86Å; V177-F452 HydrophobicContact CG2-CE1 3.95Å; V177-F452 HydrophobicContact CG2-CZ 3.93Å; M181-F452 HydrophobicContact SD-CD1 4.46Å; Q204-F452 PolarHBondContact NE2-O 2.94Å; L209-F452 HydrophobicContact CD1-CD1 3.65Å; L209-F452 HydrophobicContact CD1-CE1 3.62Å; L209-F452 HydrophobicContact CD1-CG 4.21Å; L209-F452 HydrophobicContact CD1-CZ 4.15Å; L209-F452 HydrophobicContact CD2-CB 4.07Å; L209-F452 HydrophobicContact CD2-CD1 4.2Å; L209-F452 HydrophobicContact CD2-CD2 4.37Å; L209-F452 HydrophobicContact CD2-CG 3.96Å; L209-F452 HydrophobicContact CG-CD1 4.49Å; D449-F452 HydrophobicContact CB-CD2 4.39Å; D449-F452 PolarHBondContact O-N 3.43Å; D449-F452 VanDerWaalsContact OD2-CD2 3.31Å; D449-F452 WeakPolarHBondContact OD2-CD2 3.45Å; D449-F452 WeakPolarHBondContact OD2-CE2 3.42Å; E450-F452 PolarHBondContact O-N 3.38Å; F452-G454 PolarHBondContact O-N 3.42Å; F452-F455 HydrophobicContact CB-CB 4.31Å; F452-F455 VanDerWaalsContact O-N 3.08Å; F452-F455 PolarHBondContact O-N 2.86Å; F452-F455 WeakPolarHBondContact O-CB 3.43Å
453S82.9Confident62.5Low52 Ų5278.3 Ų78.336%0.36442%0.416SS..THydrogen-bonded Turntrans-56.3128.8175.9-178.10000111.2M181 E450M181-S453 WeakPolarHBondContact CE-O 3.34Å; E450-S453 VanDerWaalsContact O-CB 3.23Å; E450-S453 WeakPolarHBondContact O-CB 3.35Å; E450-S453 PolarHBondContact O-N 3.43Å; E450-S453 VanDerWaalsContact O-N 3.08Å
454G82.4Confident61.6Low28 Ų2878 Ų7829%0.28942%0.421SS..THydrogen-bonded Turntrans85.43.8-177.400000115.3F452F452-G454 PolarHBondContact O-N 3.42Å
455F87Confident60.9Low0 Ų082 Ų820%046%0.458CS..  trans-63.6-43174.7-177.4-92.3000112.1V180 M181 R184 S202 F203 Q204 L209 Y210 F211 F452 Y457V180-F455 HydrophobicContact CG1-CD2 4.49Å; V180-F455 HydrophobicContact CG1-CE2 4Å; M181-F455 HydrophobicContact CE-CB 4.5Å; M181-F455 HydrophobicContact SD-CB 3.98Å; M181-F455 HydrophobicContact SD-CD2 3.96Å; M181-F455 HydrophobicContact SD-CG 4.5Å; R184-F455 HydrophobicContact CB-CD2 4.43Å; R184-F455 HydrophobicContact CB-CE2 4.32Å; R184-F455 HydrophobicContact CG-CD2 4.32Å; R184-F455 HydrophobicContact CG-CE2 4.36Å; R184-F455 PolarHBondContact NE-O 2.79Å; S202-F455 PolarHBondContact OG-O 2.87Å; F203-F455 WeakPolarHBondContact O-CE1 3.36Å; Q204-F455 HydrophobicContact CB-CD1 4.19Å; L209-F455 HydrophobicContact CB-CE1 3.93Å; L209-F455 HydrophobicContact CB-CE2 4.09Å; L209-F455 HydrophobicContact CB-CZ 3.68Å; L209-F455 HydrophobicContact CD1-CD2 4.25Å; L209-F455 HydrophobicContact CD1-CE2 4.05Å; L209-F455 HydrophobicContact CD1-CZ 4.48Å; L209-F455 HydrophobicContact CD2-CD1 3.88Å; L209-F455 HydrophobicContact CD2-CD2 4.12Å; L209-F455 HydrophobicContact CD2-CE1 4.1Å; L209-F455 HydrophobicContact CD2-CE2 4.32Å; L209-F455 HydrophobicContact CD2-CG 3.9Å; L209-F455 HydrophobicContact CD2-CZ 4.33Å; L209-F455 HydrophobicContact CG-CE2 4.39Å; L209-F455 HydrophobicContact CG-CZ 4.38Å; Y210-F455 WeakPolarHBondContact O-CE1 3.18Å; F211-F455 HydrophobicContact CD1-CZ 4.27Å; F211-F455 HydrophobicContact CD2-CE2 4.42Å; F211-F455 AromaticContact CD2-CZ 3.88Å; F211-F455 HydrophobicContact CD2-CZ 3.88Å; F211-F455 AromaticContact CE1-CE2 3.93Å; F211-F455 HydrophobicContact CE1-CE2 3.93Å; F211-F455 AromaticContact CE1-CZ 3.98Å; F211-F455 HydrophobicContact CE1-CZ 3.98Å; F211-F455 AromaticContact CE2-CE2 3.64Å; F211-F455 HydrophobicContact CE2-CE2 3.64Å; F211-F455 AromaticContact CE2-CZ 3.55Å; F211-F455 HydrophobicContact CE2-CZ 3.55Å; F211-F455 HydrophobicContact CG-CZ 4.24Å; F211-F455 AromaticContact CZ-CE2 3.37Å; F211-F455 HydrophobicContact CZ-CE2 3.37Å; F211-F455 AromaticContact CZ-CZ 3.63Å; F211-F455 HydrophobicContact CZ-CZ 3.63Å; F452-F455 HydrophobicContact CB-CB 4.31Å; F452-F455 VanDerWaalsContact O-N 3.08Å; F452-F455 PolarHBondContact O-N 2.86Å; F452-F455 WeakPolarHBondContact O-CB 3.43Å; F455-Y457 PolarHBondContact O-N 3.18Å
456S85.4Confident61.7Low9 Ų980.4 Ų80.46%0.06346%0.455CS..  trans-69.2132.9-175.1-52.10000112D121 L122 S202D121-S456 PolarHBondContact O-OG 2.84Å; L122-S456 WeakPolarHBondContact O-CB 3.28Å; S202-S456 CarbonylContact O-C 3.48Å; S202-S456 WeakPolarHBondContact O-CA 3.04Å
457Y82.6Confident62.8Low42 Ų4275.5 Ų75.517%0.16544%0.436CS..BIsolated β-bridgetrans-144.2128.1-175.1178.4-117.2000109.5R184 V188 L191 L199 F201 S202 F455 P459R184-Y457 VanDerWaalsContact NH2-CG 3.33Å; V188-Y457 HydrophobicContact CG1-CE2 4.09Å; V188-Y457 HydrophobicContact CG2-CD1 3.91Å; V188-Y457 HydrophobicContact CG2-CD2 4.19Å; V188-Y457 HydrophobicContact CG2-CE1 4.13Å; V188-Y457 HydrophobicContact CG2-CE2 4.39Å; V188-Y457 HydrophobicContact CG2-CG 3.96Å; L191-Y457 HydrophobicContact CD1-CE1 4.23Å; L191-Y457 WeakPolarHBondContact CD1-OH 3.45Å; L199-Y457 HydrophobicContact CD2-CD1 3.76Å; L199-Y457 HydrophobicContact CD2-CE1 4.4Å; L199-Y457 HydrophobicContact CG-CD1 4.19Å; F201-Y457 CarbonylContact C-O 3.5Å; F201-Y457 WeakPolarHBondContact CA-O 3.49Å; F201-Y457 WeakPolarHBondContact CB-O 3.41Å; S202-Y457 PolarHBondContact N-O 2.87Å; S202-Y457 PolarHBondContact O-N 3.09Å; S202-Y457 VanDerWaalsContact OG-CB 3.24Å; S202-Y457 WeakPolarHBondContact OG-CB 3.18Å; S202-Y457 PolarHBondContact OG-N 3.34Å; F455-Y457 PolarHBondContact O-N 3.18Å; Y457-P459 HydrophobicContact CE1-CG 3.79Å
458V74.7Confident63.5Low32 Ų3276.2 Ų76.219%0.19442%0.424CS..  trans-130.9124.1167.4-175.70000106.2T125 F201 T460T125-V458 HydrophobicContact CG2-CB 4.33Å; F201-V458 HydrophobicContact CB-CG2 4.31Å; V458-T460 PolarHBondContact O-N 2.8Å
459P69.7Low63.8Low50 Ų5078.2 Ų78.233%0.32544%0.436SS..  trans-58131.7173.6-17.125.9000108.8H200 Y457 K461H200-P459 WeakPolarHBondContact O-CD 3.37Å; H200-P459 WeakPolarHBondContact O-CG 3.37Å; Y457-P459 HydrophobicContact CE1-CG 3.79Å; P459-K461 PolarHBondContact O-N 2.96Å; P459-K461 VanDerWaalsContact O-N 3.1Å
460T56.1Low63.6Low93 Ų9381.3 Ų81.357%0.57145%0.454SS*.  trans-54.5119.7164.738.30000107.3V458 N462V458-T460 PolarHBondContact O-N 2.8Å; T460-N462 PolarHBondContact O-N 3.05Å; T460-N462 VanDerWaalsContact O-N 3.16Å
461K47.2Very low62.8Low169 Ų16980.3 Ų80.374%0.73546%0.455SS*.  trans-43.8128.9175.6-80.9-179.7177.61750107.8P459 I463P459-K461 PolarHBondContact O-N 2.96Å; P459-K461 VanDerWaalsContact O-N 3.1Å; K461-I463 PolarHBondContact O-N 3.33Å
462N32.5Very low61.4Low160 Ų16081.4 Ų81.486%0.85646%0.458SS*.  trans-5992.5160.1-81.7-20.3000106.4T460 H464T460-N462 PolarHBondContact O-N 3.05Å; T460-N462 VanDerWaalsContact O-N 3.16Å; N462-H464 PolarHBondContact O-N 3.45Å
463I24.8Very low59.6Low145 Ų14587.6 Ų87.674%0.74449%0.494SS*.  trans-72.973.9157.5-57.3170.7000104K461K461-I463 PolarHBondContact O-N 3.33Å
464H23.6Very low57.6Low168 Ų16890.6 Ų90.678%0.77850%0.504SS*.  trans-154.9102.4154.9-84.8-51.2000107.5N462N462-H464 PolarHBondContact O-N 3.45Å
465S25.6Very low55.4Low191 Ų19196.3 Ų96.3100%1.33652%0.524SS*.  trans54.10142.755.10000118.4

Retrieved 465 of 465 residues in 118.7 ms (Link to these results)

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