G4LUE4_SCHMA Loading...

Protein CLP1 homolog

Required for endonucleolytic cleavage during polyadenylation-dependent pre-mRNA 3'-end formation.

AlphaFold DB , UniProt , Accession G4LUE4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 442 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
1M34.6Very low39.4Very low239 Ų239156.4 Ų156.4100%1.17782%0.823SS**  092.50-77.5175.4173.800108.1
2N38.5Very low41.1Very low168 Ų168147.8 Ų147.890%0.89878%0.783SS**  trans-137.793.4161.9-89.3-16.9000104.8V4N2-V4 PolarHBondContact O-N 2.85Å
3G36.6Very low44.5Very low75 Ų75140.9 Ų140.977%0.77376%0.755SS**  trans-61.8118.5177.900000108.7K5G3-K5 PolarHBondContact O-N 2.87Å
4V39.9Very low47.7Very low127 Ų127139.1 Ų139.177%0.7774%0.743SS**  trans-58.1110160.4179.10000104.8N2 D6N2-V4 PolarHBondContact O-N 2.85Å; V4-D6 PolarHBondContact O-N 2.84Å
5K37.6Very low50.8Low183 Ų183138 Ų13880%0.79672%0.724SS**  trans-60.8106.5170.1-79.1-179.3175.71780105.9G3 F7G3-K5 PolarHBondContact O-N 2.87Å; K5-F7 VanDerWaalsContact C-N 3.29Å; K5-F7 PolarHBondContact O-N 2.85Å
6D33.3Very low53.6Low145 Ų145133.4 Ų133.478%0.77571%0.707SS**  trans-56.7100.8164.1-78.6-34000106.7V4 T8V4-D6 PolarHBondContact O-N 2.84Å; D6-T8 PolarHBondContact O-N 3.04Å
7F37.8Very low56.2Low185 Ų185127.1 Ų127.181%0.81167%0.672SS**  trans-61.2101.2159.9-82-90.6000105.1K5 R9K5-F7 VanDerWaalsContact C-N 3.29Å; K5-F7 PolarHBondContact O-N 2.85Å; F7-R9 VanDerWaalsContact C-N 3.28Å; F7-R9 PolarHBondContact O-N 2.91Å
8T34.4Very low58.6Low129 Ų129125.4 Ų125.479%0.79167%0.667SS**  trans-49.5100.3162.446.80000106.5D6 S10D6-T8 PolarHBondContact O-N 3.04Å; T8-S10 VanDerWaalsContact C-N 3.27Å; T8-S10 PolarHBondContact O-N 3.03Å
9R39.7Very low60.7Low235 Ų235118.9 Ų118.989%0.88763%0.633SS**  trans-6097.8171.3-76.9-177.6177-178.2-1.8105.5F7 N11F7-R9 VanDerWaalsContact C-N 3.28Å; F7-R9 PolarHBondContact O-N 2.91Å; R9-N11 PolarHBondContact O-N 2.94Å
10S47.1Very low62.5Low76 Ų76119.9 Ų119.953%0.53163%0.633SS.*  trans-51.1125.4160.144.60000105.7T8 P12 Q78T8-S10 VanDerWaalsContact C-N 3.27Å; T8-S10 PolarHBondContact O-N 3.03Å; S10-P12 VanDerWaalsContact O-CD 3.27Å; S10-P12 WeakPolarHBondContact O-CD 3.29Å; S10-Q78 PolarHBondContact O-NE2 2.85Å; S10-Q78 PolarHBondContact OG-NE2 2.92Å
11N53.7Low64.1Low158 Ų158119.7 Ų119.785%0.84563%0.627SS**  trans-48115.1179.4-86.9-26.1000107.8R9 S13R9-N11 PolarHBondContact O-N 2.94Å; N11-S13 PolarHBondContact O-N 2.87Å; N11-S13 VanDerWaalsContact O-N 3.12Å
12P60.3Low67.1Low53 Ų53112 Ų11234%0.34459%0.586SS.*PPolyproline II helixtrans-58.4124.9178.721.7-30000107S10 I14 Q78S10-P12 VanDerWaalsContact O-CD 3.27Å; S10-P12 WeakPolarHBondContact O-CD 3.29Å; P12-I14 PolarHBondContact O-N 3.12Å; P12-Q78 HydrophobicContact CB-CG 4.27Å
13S84.4Confident69.9Low59 Ų59105.7 Ų105.741%0.41355%0.551SS.*PPolyproline II helixtrans-59.2130.1170.733.20000107.1N11 D77N11-S13 PolarHBondContact O-N 2.87Å; N11-S13 VanDerWaalsContact O-N 3.12Å; S13-D77 WeakPolarHBondContact O-CB 3.41Å; S13-D77 PolarHBondContact O-N 3.3Å; S13-D77 WeakPolarHBondContact OG-CB 3.48Å; S13-D77 PolarHBondContact OG-OD2 3.5Å; S13-D77 VanDerWaalsContact OG-OD2 3.04Å
14I90Very high72.7Confident115 Ų115102.3 Ų102.359%0.5952%0.515SS*.EExtended strand (participates in β ladder)trans-103.9120.5179.2-60.9-177.4000106.4P12 I74P12-I14 PolarHBondContact O-N 3.12Å; I14-I74 HydrophobicContact CG2-CB 4.47Å; I14-I74 HydrophobicContact CG2-CG2 3.27Å
15R94.3Very high75.5Confident123 Ų12396.2 Ų96.246%0.46448%0.478SS..EExtended strand (participates in β ladder)trans-103.6134.5173-71.8-172.5-171.7173.517.4110Y17 I74 V75 D77R15-Y17 HydrophobicContact CB-CE2 3.74Å; R15-I74 WeakPolarHBondContact O-CA 3.37Å; R15-V75 PolarHBondContact N-O 3.26Å; R15-V75 PolarHBondContact O-N 2.82Å; R15-D77 WeakPolarHBondContact CD-OD1 3.06Å; R15-D77 HydrophobicContact CG-CB 4.07Å; R15-D77 VanDerWaalsContact CZ-CG 3.41Å; R15-D77 IonicContact CZ-OD1 3.44Å; R15-D77 IonicContact CZ-OD2 2.67Å; R15-D77 VanDerWaalsContact CZ-OD2 3.23Å; R15-D77 IonicContact NE-OD1 3.53Å; R15-D77 PolarHBondContact NE-OD1 3.36Å; R15-D77 IonicContact NE-OD2 3.91Å; R15-D77 PolarHBondContact NE-OD2 3.04Å; R15-D77 IonicContact NH1-OD1 3.56Å; R15-D77 VanDerWaalsContact NH2-CG 3.33Å; R15-D77 IonicContact NH2-OD1 2.65Å; R15-D77 PolarHBondContact NH2-OD1 2.7Å; R15-D77 IonicContact NH2-OD2 3.56Å; R15-D77 PolarHBondContact NH2-OD2 3.08Å
16S95.9Very high78.2Confident64 Ų6487.9 Ų87.945%0.44844%0.441SS..EExtended strand (participates in β ladder)trans-103.7134173.2-169.70000110K72 L73S16-K72 WeakPolarHBondContact OG-CE 3.3Å; S16-L73 CarbonylContact C-O 3.16Å; S16-L73 WeakPolarHBondContact CA-O 3.34Å; S16-L73 PolarHBondContact OG-O 2.92Å
17Y97.5Very high81.1Confident27 Ų2781.6 Ų81.611%0.10641%0.407CS..EExtended strand (participates in β ladder)trans-118.1123.9176.5-62.5-88.4000108.5R15 L25 K72 L73 V75 A82 I84R15-Y17 HydrophobicContact CB-CE2 3.74Å; Y17-L25 HydrophobicContact CD1-CD1 3.58Å; Y17-L25 HydrophobicContact CD2-CD1 4.15Å; Y17-L25 HydrophobicContact CD2-CD2 4.2Å; Y17-L25 HydrophobicContact CE1-CD1 3.96Å; Y17-L25 HydrophobicContact CE2-CD1 4.49Å; Y17-L25 HydrophobicContact CG-CD1 3.68Å; Y17-L25 HydrophobicContact CG-CD2 4.35Å; Y17-K72 CarbonylContact O-C 3.54Å; Y17-K72 WeakPolarHBondContact O-CA 3.37Å; Y17-L73 PolarHBondContact N-O 3.07Å; Y17-L73 PolarHBondContact O-N 3.2Å; Y17-V75 HydrophobicContact CD2-CB 4.33Å; Y17-V75 HydrophobicContact CD2-CG2 3.8Å; Y17-V75 HydrophobicContact CE2-CB 3.89Å; Y17-V75 HydrophobicContact CE2-CG2 3.74Å; Y17-A82 HydrophobicContact CE2-CB 4.38Å; Y17-I84 HydrophobicContact CD1-CD1 4.08Å; Y17-I84 HydrophobicContact CD1-CG1 4.07Å
18T98.4Very high83.8Confident96 Ų9676.2 Ų76.259%0.58939%0.385SS*.EExtended strand (participates in β ladder)trans-102.6117.3171-57.60000107.3
19L98.3Very high86.6Confident3 Ų370.2 Ų70.22%0.01635%0.348CS..EExtended strand (participates in β ladder)trans-103.4133.4178.3-78.263.4000108.8Q23 L25 T67 G70 C71 L73 I84L19-Q23 HydrophobicContact CB-CB 4.13Å; L19-Q23 HydrophobicContact CG-CB 4.28Å; L19-L25 HydrophobicContact CD1-CB 4.29Å; L19-L25 HydrophobicContact CD2-CB 3.97Å; L19-T67 HydrophobicContact CB-CG2 3.65Å; L19-T67 HydrophobicContact CD2-CG2 4.04Å; L19-G70 CarbonylContact O-C 3.56Å; L19-G70 WeakPolarHBondContact O-CA 3.08Å; L19-C71 PolarHBondContact N-O 2.83Å; L19-C71 PolarHBondContact O-N 3.03Å; L19-L73 HydrophobicContact CD1-CD1 4.04Å; L19-L73 HydrophobicContact CD2-CD1 4.18Å; L19-I84 HydrophobicContact CD1-CD1 3.92Å; L19-I84 HydrophobicContact CD1-CG1 4.09Å; L19-I84 HydrophobicContact CG-CD1 4.43Å; L19-I84 HydrophobicContact CG-CG1 4.45Å; L19-I84 HydrophobicContact CG-CG2 4.5Å
20E97.9Very high89.1Confident137 Ų13763.7 Ų63.764%0.6433%0.334SS*.  trans-81.8176.1170.4-59-176.7175.700111.4Y22 Q23 T67E20-Y22 PolarHBondContact O-N 3.44Å; E20-Q23 HydrophobicContact CB-CG 4.16Å; E20-Q23 WeakPolarHBondContact O-CB 3.27Å; E20-Q23 PolarHBondContact O-N 3.05Å; E20-Q23 VanDerWaalsContact O-N 3.14Å; E20-T67 VanDerWaalsContact O-CG2 3.26Å; E20-T67 WeakPolarHBondContact O-CG2 3.45Å
21K96.8Very high91.1Very high116 Ų11661.6 Ų61.650%0.50432%0.32SS..THydrogen-bonded Turntrans-53.9131176.1-160.1-166.2-174.6-1650111Q23 F68K21-Q23 PolarHBondContact O-N 3.23Å; K21-F68 WeakPolarHBondContact CE-O 3.43Å; K21-F68 WeakPolarHBondContact CG-O 3.33Å
22Y95.9Very high92.8Very high78 Ų7858.4 Ų58.431%0.30631%0.308SS..THydrogen-bonded Turntrans62.721.9179.8-47.8-62.5000114.9E20 T67 F68 S87 H95E20-Y22 PolarHBondContact O-N 3.44Å; Y22-T67 WeakPolarHBondContact CA-O 2.95Å; Y22-T67 PolarHBondContact N-O 3.33Å; Y22-F68 HydrophobicContact CD1-CD1 4.01Å; Y22-F68 AromaticContact CE1-CD1 3.95Å; Y22-F68 HydrophobicContact CE1-CD1 3.95Å; Y22-S87 VanDerWaalsContact O-CB 3.27Å; Y22-S87 WeakPolarHBondContact O-CB 3.01Å; Y22-S87 PolarHBondContact O-N 2.97Å; Y22-H95 AromaticContact CD1-NE2 3.68Å; Y22-H95 AromaticContact CE1-NE2 3.63Å; Y22-H95 AromaticContact CG-CE1 3.98Å; Y22-H95 AromaticContact CG-NE2 3.95Å; Y22-H95 AromaticContact CZ-NE2 3.85Å
23Q97.5Very high94.4Very high36 Ų3656 Ų5617%0.16829%0.292CS..EExtended strand (participates in β ladder)trans-92.8161.9167-68.7-173.8-15.900111.6L19 E20 K21 T67 I84 I85 A86L19-Q23 HydrophobicContact CB-CB 4.13Å; L19-Q23 HydrophobicContact CG-CB 4.28Å; E20-Q23 HydrophobicContact CB-CG 4.16Å; E20-Q23 WeakPolarHBondContact O-CB 3.27Å; E20-Q23 PolarHBondContact O-N 3.05Å; E20-Q23 VanDerWaalsContact O-N 3.14Å; K21-Q23 PolarHBondContact O-N 3.23Å; Q23-T67 WeakPolarHBondContact O-CG2 3.48Å; Q23-T67 PolarHBondContact O-N 2.92Å; Q23-T67 VanDerWaalsContact O-N 3.12Å; Q23-I84 HydrophobicContact CB-CG2 4.15Å; Q23-I84 HydrophobicContact CG-CG2 4.39Å; Q23-I85 WeakPolarHBondContact CA-O 3.42Å; Q23-A86 HydrophobicContact CG-CB 4.46Å
24M96.8Very high94.8Very high3 Ų353.2 Ų53.22%0.01527%0.272CS..EExtended strand (participates in β ladder)trans-133.8142.8179.5-59.1-178.8-88.400110.5T64 V65 V66 I84 I85 D90 I93 V94M24-T64 HydrophobicContact CB-CG2 3.74Å; M24-T64 HydrophobicContact CG-CG2 4.13Å; M24-T64 HydrophobicContact SD-CG2 3.78Å; M24-V65 CarbonylContact C-O 3.54Å; M24-V65 WeakPolarHBondContact CA-O 3.37Å; M24-V66 HydrophobicContact CG-CB 4.27Å; M24-V66 HydrophobicContact CG-CG1 4.09Å; M24-V66 HydrophobicContact CG-CG2 3.89Å; M24-V66 HydrophobicContact SD-CG2 3.95Å; M24-I84 VanDerWaalsContact O-CA 3.32Å; M24-I84 WeakPolarHBondContact O-CA 3.43Å; M24-I85 HydrophobicContact CB-CG2 4.1Å; M24-I85 HydrophobicContact CE-CG2 4.18Å; M24-I85 PolarHBondContact N-O 2.9Å; M24-I85 PolarHBondContact O-N 3.27Å; M24-D90 HydrophobicContact CE-CB 3.95Å; M24-I93 HydrophobicContact CE-CG2 4.03Å; M24-I93 HydrophobicContact SD-CG2 4.42Å; M24-V94 HydrophobicContact CE-CG2 3.79Å; M24-V94 HydrophobicContact CG-CG2 4Å; M24-V94 HydrophobicContact SD-CG2 3.28Å; M24-V94 WeakPolarHBondContact SD-CG2 3.21Å
25L97.1Very high95Very high0 Ų047.8 Ų47.80%025%0.245CC..EExtended strand (participates in β ladder)trans-101.9115168-176.175000107.9Y17 L19 L35 T64 V65 L73 V75 A82 I84Y17-L25 HydrophobicContact CD1-CD1 3.58Å; Y17-L25 HydrophobicContact CD2-CD1 4.15Å; Y17-L25 HydrophobicContact CD2-CD2 4.2Å; Y17-L25 HydrophobicContact CE1-CD1 3.96Å; Y17-L25 HydrophobicContact CE2-CD1 4.49Å; Y17-L25 HydrophobicContact CG-CD1 3.68Å; Y17-L25 HydrophobicContact CG-CD2 4.35Å; L19-L25 HydrophobicContact CD1-CB 4.29Å; L19-L25 HydrophobicContact CD2-CB 3.97Å; L25-L35 HydrophobicContact CD2-CD1 4.29Å; L25-T64 CarbonylContact O-C 3.56Å; L25-T64 WeakPolarHBondContact O-CA 3.15Å; L25-V65 HydrophobicContact CB-CB 4.22Å; L25-V65 PolarHBondContact N-O 3.24Å; L25-V65 PolarHBondContact O-N 2.85Å; L25-L73 HydrophobicContact CB-CD1 3.97Å; L25-L73 HydrophobicContact CD2-CD1 3.65Å; L25-L73 HydrophobicContact CG-CD1 4.45Å; L25-V75 HydrophobicContact CD2-CG2 3.96Å; L25-A82 HydrophobicContact CD1-CB 3.99Å; L25-A82 HydrophobicContact CG-CB 4.3Å; L25-I84 HydrophobicContact CD1-CG1 3.96Å
26R95.5Very high95.2Very high7 Ų743 Ų433%0.02623%0.229CC..EExtended strand (participates in β ladder)trans-94.7141.2172.2-76.8158.6164.8-123.10109.4T64 A82 Y83 D90 S296 S297 G298R26-T64 HydrophobicContact CG-CG2 3.98Å; R26-A82 CarbonylContact O-C 3.41Å; R26-A82 WeakPolarHBondContact O-CA 3.3Å; R26-A82 WeakPolarHBondContact O-CB 3.49Å; R26-Y83 HydrophobicContact CB-CD1 4.31Å; R26-Y83 HydrophobicContact CB-CE1 3.88Å; R26-Y83 HydrophobicContact CB-CE2 4.08Å; R26-Y83 WeakPolarHBondContact CD-OH 3.37Å; R26-Y83 PolarHBondContact N-O 2.77Å; R26-Y83 PolarHBondContact NH1-OH 3.18Å; R26-Y83 PolarHBondContact O-N 2.99Å; R26-D90 IonicContact CZ-OD2 3.43Å; R26-D90 VanDerWaalsContact NH2-CG 3.31Å; R26-D90 IonicContact NH2-OD1 2.68Å; R26-D90 PolarHBondContact NH2-OD1 3.03Å; R26-D90 IonicContact NH2-OD2 3.12Å; R26-D90 PolarHBondContact NH2-OD2 3.22Å; R26-S296 PolarHBondContact NH2-OG 2.93Å; R26-S296 VanDerWaalsContact NH2-OG 3.16Å; R26-S297 PolarHBondContact NH1-O 3.31Å; R26-S297 PolarHBondContact NH1-OG 2.95Å; R26-S297 PolarHBondContact NH2-OG 3.42Å; R26-G298 VanDerWaalsContact CZ-N 3.26Å
27F94.8Very high95.3Very high14 Ų1440 Ų406%0.06121%0.208CC..EExtended strand (participates in β ladder)trans-143147-178.965.4-94000111.9V29 L35 L57 R62 G63 V65 V80 A81 A82F27-V29 HydrophobicContact CD2-CG2 3.71Å; F27-V29 HydrophobicContact CE2-CG2 3.96Å; F27-L35 HydrophobicContact CD1-CD1 4.24Å; F27-L35 HydrophobicContact CE1-CD1 4.22Å; F27-L57 HydrophobicContact CD2-CD1 3.99Å; F27-L57 HydrophobicContact CE2-CD1 3.87Å; F27-L57 HydrophobicContact CE2-CD2 3.71Å; F27-L57 HydrophobicContact CE2-CG 4.41Å; F27-L57 HydrophobicContact CZ-CD1 4.41Å; F27-L57 HydrophobicContact CZ-CD2 3.9Å; F27-R62 WeakPolarHBondContact O-CA 3.4Å; F27-G63 VanDerWaalsContact CE1-C 3.49Å; F27-G63 VanDerWaalsContact CZ-CA 3.49Å; F27-G63 PolarHBondContact N-O 2.8Å; F27-G63 VanDerWaalsContact N-O 3.1Å; F27-G63 PolarHBondContact O-N 2.96Å; F27-G63 VanDerWaalsContact O-N 3.08Å; F27-V65 HydrophobicContact CD1-CG2 4.34Å; F27-V65 HydrophobicContact CE1-CG2 3.96Å; F27-V80 HydrophobicContact CB-CG1 3.69Å; F27-V80 HydrophobicContact CG-CG1 4.48Å; F27-A81 CarbonylContact C-O 3.45Å; F27-A81 VanDerWaalsContact CA-O 3.28Å; F27-A81 WeakPolarHBondContact CA-O 3.32Å; F27-A82 HydrophobicContact CB-CB 4.03Å
28E93.5Very high95.3Very high72 Ų7241.9 Ų41.934%0.33622%0.222SC..EExtended strand (participates in β ladder)trans-126.7133.9168.8173.5165.6-160.300109.1R62 V80 A81E28-R62 HydrophobicContact CB-CG 4.13Å; E28-R62 VanDerWaalsContact CD-NE 3.27Å; E28-R62 HydrophobicContact CG-CG 4.05Å; E28-R62 IonicContact OE1-CZ 3.03Å; E28-R62 VanDerWaalsContact OE1-CZ 3.28Å; E28-R62 IonicContact OE1-NE 3.45Å; E28-R62 PolarHBondContact OE1-NE 3.19Å; E28-R62 IonicContact OE1-NH2 3.67Å; E28-R62 PolarHBondContact OE1-NH2 2.95Å; E28-R62 IonicContact OE2-CZ 2.92Å; E28-R62 IonicContact OE2-NE 2.62Å; E28-R62 PolarHBondContact OE2-NE 3.02Å; E28-R62 IonicContact OE2-NH2 2.92Å; E28-R62 PolarHBondContact OE2-NH2 2.55Å; E28-V80 WeakPolarHBondContact O-CA 3.5Å; E28-A81 PolarHBondContact N-O 2.6Å; E28-A81 PolarHBondContact O-N 3.28Å
29V93.2Very high95.2Very high2 Ų240.1 Ų40.11%0.01221%0.214CC..EExtended strand (participates in β ladder)trans-109.6125-170.5-170.70000109.7F27 S31 L57 Y58 P59 G60 Q61 G79F27-V29 HydrophobicContact CD2-CG2 3.71Å; F27-V29 HydrophobicContact CE2-CG2 3.96Å; V29-S31 WeakPolarHBondContact CG1-O 3.11Å; V29-L57 HydrophobicContact CG1-CB 4.09Å; V29-L57 HydrophobicContact CG2-CB 3.83Å; V29-L57 HydrophobicContact CG2-CD1 4.07Å; V29-L57 HydrophobicContact CG2-CG 4.45Å; V29-Y58 VanDerWaalsContact CB-O 3.3Å; V29-Y58 WeakPolarHBondContact CB-O 3.21Å; V29-Y58 VanDerWaalsContact CG1-C 3.48Å; V29-Y58 WeakPolarHBondContact CG1-O 3.38Å; V29-P59 WeakPolarHBondContact O-CA 3.08Å; V29-G60 PolarHBondContact O-N 3.3Å; V29-Q61 HydrophobicContact CB-CB 4.48Å; V29-Q61 HydrophobicContact CG2-CB 4.2Å; V29-Q61 WeakPolarHBondContact CG2-O 3.39Å; V29-Q61 PolarHBondContact N-O 3.14Å; V29-G79 CarbonylContact C-O 3.59Å; V29-G79 VanDerWaalsContact CA-O 3.32Å; V29-G79 WeakPolarHBondContact CA-O 3.4Å
30T91.9Very high95.2Very high98 Ų9842.3 Ų42.360%0.60124%0.237SC*.SBendtrans-110.5-25178.156.60000112.9G79T30-G79 PolarHBondContact N-O 2.95Å; T30-G79 VanDerWaalsContact OG1-CA 3.31Å; T30-G79 WeakPolarHBondContact OG1-CA 3.32Å; T30-G79 PolarHBondContact OG1-O 3.35Å
31S90.4Very high95.2Very high33 Ų3337.1 Ų37.123%0.23122%0.217CC..SBendtrans-133.1157.5172.872.10000109.8V29 S33 Q78 G79V29-S31 WeakPolarHBondContact CG1-O 3.11Å; S31-S33 PolarHBondContact O-N 2.92Å; S31-S33 PolarHBondContact O-OG 3Å; S31-Q78 PolarHBondContact OG-O 3.1Å; S31-G79 VanDerWaalsContact OG-CA 3.25Å; S31-G79 WeakPolarHBondContact OG-CA 3.3Å; S31-G79 PolarHBondContact OG-N 2.86Å
32P89.4Confident95.3Very high91 Ų9131.8 Ų31.859%0.59120%0.195SC*.  trans-49.6132170.9-25.235.2000110.6L57 P59P32-L57 WeakPolarHBondContact CA-O 3.47Å; P32-P59 HydrophobicContact CG-CG 4.27Å
33S92.9Very high95.4Very high2 Ų228.7 Ų28.71%0.01418%0.183CC..EExtended strand (participates in β ladder)trans-154.9166-174-68.90000111S31 L57 V80S31-S33 PolarHBondContact O-N 2.92Å; S31-S33 PolarHBondContact O-OG 3Å; S33-L57 PolarHBondContact N-O 2.89Å; S33-L57 WeakPolarHBondContact O-CA 3.39Å; S33-L57 WeakPolarHBondContact O-CB 3.46Å; S33-L57 PolarHBondContact O-N 2.79Å; S33-V80 WeakPolarHBondContact OG-CG2 3.36Å
34G92.4Very high95.3Very high0 Ų027.1 Ų27.10%018%0.176CC..EExtended strand (participates in β ladder)trans-114.5145.1177.200000113.4L55 Q76G34-L55 WeakPolarHBondContact CA-O 3.42Å; G34-Q76 VanDerWaalsContact N-CD 3.32Å; G34-Q76 VanDerWaalsContact N-OE1 3.1Å; G34-Q76 PolarHBondContact O-N 2.81Å
35L95.5Very high95.2Very high2 Ų229 Ų291%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-126.7125.2170.4-179.9153000110L25 F27 L49 L55 L57 V65 L73 I74 V75L25-L35 HydrophobicContact CD2-CD1 4.29Å; F27-L35 HydrophobicContact CD1-CD1 4.24Å; F27-L35 HydrophobicContact CE1-CD1 4.22Å; L35-L49 HydrophobicContact CD2-CD1 3.99Å; L35-L55 PolarHBondContact N-O 3.12Å; L35-L55 WeakPolarHBondContact O-CB 3.32Å; L35-L55 PolarHBondContact O-N 2.95Å; L35-L57 HydrophobicContact CB-CD1 3.8Å; L35-L57 HydrophobicContact CB-CG 4.24Å; L35-L57 HydrophobicContact CD1-CD1 4.33Å; L35-V65 HydrophobicContact CD1-CG2 3.77Å; L35-V65 HydrophobicContact CD2-CG2 4.24Å; L35-L73 HydrophobicContact CD2-CD2 4.09Å; L35-I74 WeakPolarHBondContact CA-O 3.49Å; L35-V75 HydrophobicContact CD1-CG2 4.17Å; L35-V75 HydrophobicContact CG-CG2 4.27Å
36T96.8Very high95.2Very high22 Ų2229 Ų2914%0.13518%0.184CC..EExtended strand (participates in β ladder)trans-127.1130.2-174.8-55.90000110.9E54 L73 I74T36-E54 WeakPolarHBondContact OG1-CA 3.15Å; T36-E54 WeakPolarHBondContact OG1-CB 3.25Å; T36-L73 CarbonylContact O-C 3.59Å; T36-L73 WeakPolarHBondContact O-CA 3.48Å; T36-I74 PolarHBondContact N-O 2.69Å; T36-I74 PolarHBondContact O-N 3.21Å
37L98.1Very high95.3Very high2 Ų229.7 Ų29.71%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-78119.8167.2179.866.2000109.6S39 A42 L49 C51 G52 C71 L73L37-S39 WeakPolarHBondContact CD1-O 3.16Å; L37-A42 HydrophobicContact CD1-CB 4.01Å; L37-A42 HydrophobicContact CD2-CB 4.47Å; L37-L49 HydrophobicContact CB-CB 4.15Å; L37-L49 HydrophobicContact CD2-CB 3.95Å; L37-L49 WeakPolarHBondContact CD2-O 3.26Å; L37-C51 VanDerWaalsContact CD2-SG 3.56Å; L37-C51 CarbonylContact O-C 3.57Å; L37-C51 WeakPolarHBondContact O-CA 3.49Å; L37-G52 PolarHBondContact O-N 2.89Å; L37-C71 HydrophobicContact CD1-CB 3.75Å; L37-L73 HydrophobicContact CB-CD2 4.22Å; L37-L73 HydrophobicContact CD1-CD2 3.88Å
38V97.7Very high95.4Very high66 Ų6634.6 Ų34.640%0.421%0.213SC..EExtended strand (participates in β ladder)trans-91.7-43.5179.9-1780000111.2K72 I74V38-K72 HydrophobicContact CB-CB 4.36Å; V38-K72 HydrophobicContact CB-CG 4.39Å; V38-K72 WeakPolarHBondContact CB-O 3.23Å; V38-K72 PolarHBondContact N-O 3.28Å; V38-I74 HydrophobicContact CG2-CB 4.12Å; V38-I74 HydrophobicContact CG2-CD1 3.4Å; V38-I74 VanDerWaalsContact CG2-CD1 3.4Å; V38-I74 HydrophobicContact CG2-CG1 3.53Å
39S97.9Very high95.6Very high59 Ų5931.8 Ų31.841%0.41320%0.2SC..EExtended strand (participates in β ladder)trans-158.2161.4-179.663.60000111.8L37 C71 K72L37-S39 WeakPolarHBondContact CD1-O 3.16Å; S39-C71 CarbonylContact O-C 3.52Å; S39-C71 VanDerWaalsContact O-CA 3.25Å; S39-C71 WeakPolarHBondContact O-CA 3.28Å; S39-C71 WeakPolarHBondContact O-CB 3.35Å; S39-K72 PolarHBondContact N-O 2.71Å; S39-K72 PolarHBondContact O-N 3.08Å; S39-K72 WeakPolarHBondContact OG-CB 3.39Å
40G98Very high95.7Very high48 Ų4836.4 Ų36.450%0.49523%0.228SC..EExtended strand (participates in β ladder)trans83.5-159.5-177.200000112.5G70G40-G70 WeakPolarHBondContact CA-O 3.27Å
41A97.9Very high95.9Very high28 Ų2835.1 Ų35.123%0.23122%0.222CC..  trans-126.9133.4-178.600000110T67 G70A41-T67 VanDerWaalsContact O-CB 3.23Å; A41-T67 WeakPolarHBondContact O-CB 3.38Å; A41-T67 PolarHBondContact O-OG1 2.9Å; A41-G70 PolarHBondContact N-O 3.09Å
42A98.1Very high96.2Very high5 Ų536.5 Ų36.54%0.04124%0.242CC..  trans-150.9156.6-178.900000110.6L37 L49 V65 V66 C71L37-A42 HydrophobicContact CD1-CB 4.01Å; L37-A42 HydrophobicContact CD2-CB 4.47Å; A42-L49 HydrophobicContact CB-CD1 4.15Å; A42-L49 PolarHBondContact O-N 3.49Å; A42-V65 HydrophobicContact CB-CG1 3.71Å; A42-V66 CarbonylContact C-O 3.52Å; A42-V66 VanDerWaalsContact CA-O 3.3Å; A42-V66 WeakPolarHBondContact CA-O 3.26Å; A42-C71 HydrophobicContact CB-CB 4.18Å
43E97.6Very high96.4Very high12 Ų1238.2 Ų38.26%0.05624%0.237CC..EExtended strand (participates in β ladder)trans-142157.7-179.958.5173-129.800112.8T47 V65 V66 F68 Y141 R144E43-T47 CarbonylContact C-O 3.43Å; E43-T47 WeakPolarHBondContact CA-O 3.44Å; E43-T47 VanDerWaalsContact CB-O 3.22Å; E43-T47 WeakPolarHBondContact CB-O 3.28Å; E43-V65 CarbonylContact O-C 3.55Å; E43-V65 WeakPolarHBondContact O-CA 3.27Å; E43-V66 HydrophobicContact CG-CB 4.31Å; E43-V66 PolarHBondContact N-O 3.43Å; E43-V66 PolarHBondContact O-N 3.01Å; E43-F68 HydrophobicContact CG-CE2 4.25Å; E43-Y141 VanDerWaalsContact OE1-CE1 3.25Å; E43-Y141 WeakPolarHBondContact OE1-CE1 3.26Å; E43-Y141 VanDerWaalsContact OE1-CZ 3.29Å; E43-Y141 PolarHBondContact OE1-OH 3.24Å; E43-R144 IonicContact OE2-CZ 3.56Å; E43-R144 IonicContact OE2-NH1 3.95Å; E43-R144 PolarHBondContact OE2-NH1 3.35Å
44V96.7Very high96.4Very high4 Ų441.5 Ų41.52%0.02425%0.252CS..EExtended strand (participates in β ladder)trans-128.4123.7171.2178.70000107.5G46 T47 L49 V65 L178V44-G46 PolarHBondContact O-N 2.9Å; V44-G46 VanDerWaalsContact O-N 3.17Å; V44-T47 PolarHBondContact N-O 2.9Å; V44-T47 WeakPolarHBondContact O-CB 3.4Å; V44-T47 PolarHBondContact O-N 2.85Å; V44-L49 HydrophobicContact CG2-CD1 4.29Å; V44-L49 HydrophobicContact CG2-CD2 4.08Å; V44-L49 HydrophobicContact CG2-CG 4.38Å; V44-V65 HydrophobicContact CG2-CB 4.34Å; V44-V65 HydrophobicContact CG2-CG2 3.82Å; V44-L178 HydrophobicContact CB-CD1 3.96Å; V44-L178 HydrophobicContact CB-CD2 3.85Å; V44-L178 HydrophobicContact CG1-CD2 3.74Å; V44-L178 HydrophobicContact CG2-CD1 4.42Å
45F94.5Very high96.4Very high41 Ų4141.9 Ų41.918%0.1825%0.253CS..THydrogen-bonded Turntrans52.335.8-177.6-47.1-46.9000114.4T47 T133 R136 T137 S140 Y176 L178F45-T47 PolarHBondContact O-N 2.8Å; F45-T133 HydrophobicContact CD1-CG2 3.81Å; F45-T133 HydrophobicContact CE1-CG2 3.86Å; F45-R136 HydrophobicContact CB-CG 3.84Å; F45-R136 HydrophobicContact CG-CG 4.41Å; F45-T137 WeakPolarHBondContact O-CA 3.45Å; F45-S140 VanDerWaalsContact O-CB 3.3Å; F45-S140 WeakPolarHBondContact O-CB 3.36Å; F45-S140 PolarHBondContact O-OG 3.32Å; F45-S140 VanDerWaalsContact O-OG 3.04Å; F45-Y176 HydrophobicContact CD2-CD1 4.26Å; F45-Y176 HydrophobicContact CD2-CE1 4.34Å; F45-L178 HydrophobicContact CD2-CD2 4.15Å
46G96.3Very high96.2Very high0 Ų044.2 Ų44.20%026%0.264CS..THydrogen-bonded Turntrans78.7-2-177.100000115.5V44 Y141 R144V44-G46 PolarHBondContact O-N 2.9Å; V44-G46 VanDerWaalsContact O-N 3.17Å; G46-Y141 VanDerWaalsContact CA-CE1 3.43Å; G46-R144 VanDerWaalsContact O-CD 3.23Å; G46-R144 WeakPolarHBondContact O-CD 3.25Å; G46-R144 PolarHBondContact O-NH1 3.25Å
47T97.1Very high96Very high22 Ų2243.3 Ų43.314%0.13526%0.259CS..EExtended strand (participates in β ladder)trans-91.2122.6175.4-59.30000110.2E43 V44 F45 P175 Y176 L178E43-T47 CarbonylContact C-O 3.43Å; E43-T47 WeakPolarHBondContact CA-O 3.44Å; E43-T47 VanDerWaalsContact CB-O 3.22Å; E43-T47 WeakPolarHBondContact CB-O 3.28Å; V44-T47 PolarHBondContact N-O 2.9Å; V44-T47 WeakPolarHBondContact O-CB 3.4Å; V44-T47 PolarHBondContact O-N 2.85Å; F45-T47 PolarHBondContact O-N 2.8Å; T47-P175 HydrophobicContact CG2-CB 4.37Å; T47-P175 WeakPolarHBondContact OG1-CB 3.31Å; T47-Y176 WeakPolarHBondContact CB-O 3.5Å; T47-Y176 WeakPolarHBondContact CG2-O 3.35Å; T47-Y176 PolarHBondContact OG1-N 3.05Å; T47-Y176 PolarHBondContact OG1-O 3.38Å; T47-L178 HydrophobicContact CG2-CD1 4.49Å; T47-L178 HydrophobicContact CG2-CG 4.27Å
48E96.9Very high95.5Very high117 Ų11745.8 Ų45.855%0.54727%0.268SS..EExtended strand (participates in β ladder)trans-69132.7-179.5-173.2167.4-167.600111.2
49L97.4Very high95Very high14 Ų1446 Ų467%0.07327%0.271CS..PPolyproline II helixtrans-78.8138.1174.6-64.1-178.5000110L35 L37 A42 V44 L55 V65 L73 L178L35-L49 HydrophobicContact CD2-CD1 3.99Å; L37-L49 HydrophobicContact CB-CB 4.15Å; L37-L49 HydrophobicContact CD2-CB 3.95Å; L37-L49 WeakPolarHBondContact CD2-O 3.26Å; A42-L49 HydrophobicContact CB-CD1 4.15Å; A42-L49 PolarHBondContact O-N 3.49Å; V44-L49 HydrophobicContact CG2-CD1 4.29Å; V44-L49 HydrophobicContact CG2-CD2 4.08Å; V44-L49 HydrophobicContact CG2-CG 4.38Å; L49-L55 HydrophobicContact CD2-CD2 4.39Å; L49-V65 HydrophobicContact CD1-CG1 3.76Å; L49-V65 HydrophobicContact CD1-CG2 4.41Å; L49-L73 HydrophobicContact CD1-CD2 4.31Å; L49-L178 HydrophobicContact CD2-CD1 3.53Å
50V96.2Very high94.3Very high99 Ų9945.9 Ų45.960%0.628%0.279SS*.PPolyproline II helixtrans-88.7125.4177.8-178.50000109.8G52 W53V50-G52 PolarHBondContact O-N 2.85Å; V50-W53 HydrophobicContact CB-CB 4.1Å; V50-W53 HydrophobicContact CG1-CB 4.36Å; V50-W53 PolarHBondContact O-N 2.86Å
51C97Very high93.9Very high70 Ų7047.2 Ų47.247%0.47327%0.273SS..THydrogen-bonded Turntrans-55.8133176-72.60000111.7L37 W53L37-C51 VanDerWaalsContact CD2-SG 3.56Å; L37-C51 CarbonylContact O-C 3.57Å; L37-C51 WeakPolarHBondContact O-CA 3.49Å; C51-W53 PolarHBondContact O-N 2.81Å
52G95Very high93.6Very high63 Ų6350.2 Ų50.265%0.64928%0.278SS*.THydrogen-bonded Turntrans80.4-8.9179.100000115L37 V50L37-G52 PolarHBondContact O-N 2.89Å; V50-G52 PolarHBondContact O-N 2.85Å
53W94.3Very high93.3Very high127 Ų12750.4 Ų50.448%0.48128%0.28SS..  trans-90.4132176.9-169.182.9000110.9V50 C51 L55 M179V50-W53 HydrophobicContact CB-CB 4.1Å; V50-W53 HydrophobicContact CG1-CB 4.36Å; V50-W53 PolarHBondContact O-N 2.86Å; C51-W53 PolarHBondContact O-N 2.81Å; W53-L55 HydrophobicContact CE3-CB 4.39Å; W53-L55 HydrophobicContact CH2-CD1 4.28Å; W53-L55 VanDerWaalsContact CZ3-CA 3.48Å; W53-L55 HydrophobicContact CZ3-CB 3.87Å; W53-L55 HydrophobicContact CZ3-CD1 3.86Å; W53-L55 HydrophobicContact CZ3-CG 4.5Å; W53-M179 HydrophobicContact CH2-CG 3.61Å; W53-M179 HydrophobicContact CH2-SD 4.06Å; W53-M179 HydrophobicContact CZ2-CG 4.26Å
54E93Very high93.2Very high71 Ų7151.4 Ų51.433%0.33229%0.287SS..EExtended strand (participates in β ladder)trans-90.5110.2-179.4-175.217586.700110.8T36 Q56 Q76T36-E54 WeakPolarHBondContact OG1-CA 3.15Å; T36-E54 WeakPolarHBondContact OG1-CB 3.25Å; E54-Q56 PolarHBondContact O-N 3.36Å; E54-Q56 PolarHBondContact OE1-NE2 3.45Å; E54-Q76 PolarHBondContact OE1-NE2 2.96Å; E54-Q76 PolarHBondContact OE2-NE2 3.27Å
55L93Very high93.3Very high7 Ų751.2 Ų51.24%0.03729%0.286CS..EExtended strand (participates in β ladder)trans-71.2120.7169.6177.164.9000109.6G34 L35 L49 W53 L57 L178 M179G34-L55 WeakPolarHBondContact CA-O 3.42Å; L35-L55 PolarHBondContact N-O 3.12Å; L35-L55 WeakPolarHBondContact O-CB 3.32Å; L35-L55 PolarHBondContact O-N 2.95Å; L49-L55 HydrophobicContact CD2-CD2 4.39Å; W53-L55 HydrophobicContact CE3-CB 4.39Å; W53-L55 HydrophobicContact CH2-CD1 4.28Å; W53-L55 VanDerWaalsContact CZ3-CA 3.48Å; W53-L55 HydrophobicContact CZ3-CB 3.87Å; W53-L55 HydrophobicContact CZ3-CD1 3.86Å; W53-L55 HydrophobicContact CZ3-CG 4.5Å; L55-L57 HydrophobicContact CD2-CD2 3.96Å; L55-L57 HydrophobicContact CG-CD2 4.04Å; L55-L178 HydrophobicContact CD1-CB 3.62Å; L55-L178 HydrophobicContact CD1-CD1 4.17Å; L55-L178 HydrophobicContact CD2-CD1 4.06Å; L55-M179 HydrophobicContact CD1-SD 4.2Å
56Q91.2Very high93.4Very high51 Ų5150.1 Ų50.124%0.23828%0.283CS..EExtended strand (participates in β ladder)trans-78129.3175.4-59.6-58.9-48.100110.2E54 Y58 M179 L325E54-Q56 PolarHBondContact O-N 3.36Å; E54-Q56 PolarHBondContact OE1-NE2 3.45Å; Q56-Y58 HydrophobicContact CB-CE2 4.08Å; Q56-Y58 WeakPolarHBondContact CB-OH 3.43Å; Q56-M179 HydrophobicContact CB-CE 4.1Å; Q56-M179 HydrophobicContact CB-SD 4.1Å; Q56-M179 HydrophobicContact CG-CE 4.33Å; Q56-L325 HydrophobicContact CG-CD1 4.49Å
57L91.6Very high93.5Very high3 Ų350.2 Ų50.22%0.01628%0.283CS..EExtended strand (participates in β ladder)trans-114.2136.9-179.1-62-175.4000109.8F27 V29 P32 S33 L35 L55 V80F27-L57 HydrophobicContact CD2-CD1 3.99Å; F27-L57 HydrophobicContact CE2-CD1 3.87Å; F27-L57 HydrophobicContact CE2-CD2 3.71Å; F27-L57 HydrophobicContact CE2-CG 4.41Å; F27-L57 HydrophobicContact CZ-CD1 4.41Å; F27-L57 HydrophobicContact CZ-CD2 3.9Å; V29-L57 HydrophobicContact CG1-CB 4.09Å; V29-L57 HydrophobicContact CG2-CB 3.83Å; V29-L57 HydrophobicContact CG2-CD1 4.07Å; V29-L57 HydrophobicContact CG2-CG 4.45Å; P32-L57 WeakPolarHBondContact CA-O 3.47Å; S33-L57 PolarHBondContact N-O 2.89Å; S33-L57 WeakPolarHBondContact O-CA 3.39Å; S33-L57 WeakPolarHBondContact O-CB 3.46Å; S33-L57 PolarHBondContact O-N 2.79Å; L35-L57 HydrophobicContact CB-CD1 3.8Å; L35-L57 HydrophobicContact CB-CG 4.24Å; L35-L57 HydrophobicContact CD1-CD1 4.33Å; L55-L57 HydrophobicContact CD2-CD2 3.96Å; L55-L57 HydrophobicContact CG-CD2 4.04Å; L57-V80 HydrophobicContact CD1-CG2 4.34Å
58Y88Confident93.4Very high55 Ų5550.7 Ų50.722%0.21628%0.283CS..  trans-117.2150.4-174.4-61-73.9000112.9V29 Q56 G60 Q61 P324V29-Y58 VanDerWaalsContact CB-O 3.3Å; V29-Y58 WeakPolarHBondContact CB-O 3.21Å; V29-Y58 VanDerWaalsContact CG1-C 3.48Å; V29-Y58 WeakPolarHBondContact CG1-O 3.38Å; Q56-Y58 HydrophobicContact CB-CE2 4.08Å; Q56-Y58 WeakPolarHBondContact CB-OH 3.43Å; Y58-G60 PolarHBondContact O-N 2.86Å; Y58-Q61 WeakPolarHBondContact O-CB 3.29Å; Y58-Q61 WeakPolarHBondContact O-CG 3.46Å; Y58-Q61 PolarHBondContact O-N 3.09Å; Y58-P324 HydrophobicContact CD1-CG 4.35Å; Y58-P324 HydrophobicContact CD2-CG 4.46Å; Y58-P324 HydrophobicContact CE1-CB 4.1Å; Y58-P324 HydrophobicContact CE1-CG 3.65Å; Y58-P324 HydrophobicContact CE2-CG 3.77Å; Y58-P324 VanDerWaalsContact OH-CD 3.25Å; Y58-P324 WeakPolarHBondContact OH-CD 3.48Å; Y58-P324 WeakPolarHBondContact OH-CG 3.42Å
59P86.9Confident93.4Very high71 Ų7152.1 Ų52.146%0.46129%0.29SS..THydrogen-bonded Turntrans-51135.6178.6-2734.6000113.2V29 P32 Q61V29-P59 WeakPolarHBondContact O-CA 3.08Å; P32-P59 HydrophobicContact CG-CG 4.27Å; P59-Q61 VanDerWaalsContact C-N 3.25Å; P59-Q61 PolarHBondContact O-N 2.93Å
60G84.4Confident93.4Very high56 Ų5652.2 Ų52.258%0.57729%0.294SS*.THydrogen-bonded Turntrans84-9.2-17800000114.4V29 Y58V29-G60 PolarHBondContact O-N 3.3Å; Y58-G60 PolarHBondContact O-N 2.86Å
61Q88.5Confident93.5Very high76 Ų7647.9 Ų47.936%0.35527%0.268SS..  trans-71141.6170.5-68.2-176.4-24.400110.8V29 Y58 P59V29-Q61 HydrophobicContact CB-CB 4.48Å; V29-Q61 HydrophobicContact CG2-CB 4.2Å; V29-Q61 WeakPolarHBondContact CG2-O 3.39Å; V29-Q61 PolarHBondContact N-O 3.14Å; Y58-Q61 WeakPolarHBondContact O-CB 3.29Å; Y58-Q61 WeakPolarHBondContact O-CG 3.46Å; Y58-Q61 PolarHBondContact O-N 3.09Å; P59-Q61 VanDerWaalsContact C-N 3.25Å; P59-Q61 PolarHBondContact O-N 2.93Å
62R91.2Very high93.6Very high91 Ų9148.5 Ų48.534%0.34326%0.263SS..EExtended strand (participates in β ladder)trans-132.4137.4171.2-65.8178.7177.1175.9-8.2107.4F27 E28 I300F27-R62 WeakPolarHBondContact O-CA 3.4Å; E28-R62 HydrophobicContact CB-CG 4.13Å; E28-R62 VanDerWaalsContact CD-NE 3.27Å; E28-R62 HydrophobicContact CG-CG 4.05Å; E28-R62 IonicContact OE1-CZ 3.03Å; E28-R62 VanDerWaalsContact OE1-CZ 3.28Å; E28-R62 IonicContact OE1-NE 3.45Å; E28-R62 PolarHBondContact OE1-NE 3.19Å; E28-R62 IonicContact OE1-NH2 3.67Å; E28-R62 PolarHBondContact OE1-NH2 2.95Å; E28-R62 IonicContact OE2-CZ 2.92Å; E28-R62 IonicContact OE2-NE 2.62Å; E28-R62 PolarHBondContact OE2-NE 3.02Å; E28-R62 IonicContact OE2-NH2 2.92Å; E28-R62 PolarHBondContact OE2-NH2 2.55Å; R62-I300 VanDerWaalsContact NH1-CB 3.3Å; R62-I300 VanDerWaalsContact NH1-CG2 3.27Å
63G93Very high93.7Very high9 Ų945.5 Ų45.59%0.09323%0.232CC..EExtended strand (participates in β ladder)trans-151.9172.5-17600000112.5F27F27-G63 VanDerWaalsContact CE1-C 3.49Å; F27-G63 VanDerWaalsContact CZ-CA 3.49Å; F27-G63 PolarHBondContact N-O 2.8Å; F27-G63 VanDerWaalsContact N-O 3.1Å; F27-G63 PolarHBondContact O-N 2.96Å; F27-G63 VanDerWaalsContact O-N 3.08Å
64T95.6Very high93.8Very high32 Ų3242 Ų4220%0.19622%0.222CC..EExtended strand (participates in β ladder)trans-138.6117.1177.1-570000107.3M24 L25 R26 V66M24-T64 HydrophobicContact CB-CG2 3.74Å; M24-T64 HydrophobicContact CG-CG2 4.13Å; M24-T64 HydrophobicContact SD-CG2 3.78Å; L25-T64 CarbonylContact O-C 3.56Å; L25-T64 WeakPolarHBondContact O-CA 3.15Å; R26-T64 HydrophobicContact CG-CG2 3.98Å; T64-V66 HydrophobicContact CG2-CG2 3.96Å
65V97.5Very high94Very high0 Ų038.7 Ų38.70%021%0.207CC..EExtended strand (participates in β ladder)trans-86.1126.2167-173.90000107.2M24 L25 F27 L35 A42 E43 V44 L49 L73M24-V65 CarbonylContact C-O 3.54Å; M24-V65 WeakPolarHBondContact CA-O 3.37Å; L25-V65 HydrophobicContact CB-CB 4.22Å; L25-V65 PolarHBondContact N-O 3.24Å; L25-V65 PolarHBondContact O-N 2.85Å; F27-V65 HydrophobicContact CD1-CG2 4.34Å; F27-V65 HydrophobicContact CE1-CG2 3.96Å; L35-V65 HydrophobicContact CD1-CG2 3.77Å; L35-V65 HydrophobicContact CD2-CG2 4.24Å; A42-V65 HydrophobicContact CB-CG1 3.71Å; E43-V65 CarbonylContact O-C 3.55Å; E43-V65 WeakPolarHBondContact O-CA 3.27Å; V44-V65 HydrophobicContact CG2-CB 4.34Å; V44-V65 HydrophobicContact CG2-CG2 3.82Å; L49-V65 HydrophobicContact CD1-CG1 3.76Å; L49-V65 HydrophobicContact CD1-CG2 4.41Å; V65-L73 HydrophobicContact CB-CD1 4.05Å; V65-L73 HydrophobicContact CG1-CD1 3.78Å; V65-L73 HydrophobicContact CG1-CD2 4.29Å; V65-L73 HydrophobicContact CG2-CD1 4.34Å
66V97.2Very high93.8Very high19 Ų1940.8 Ų40.812%0.11522%0.216CC..EExtended strand (participates in β ladder)trans-113.1141.8-179.4-176.40000109M24 A42 E43 T64 F68 V94M24-V66 HydrophobicContact CG-CB 4.27Å; M24-V66 HydrophobicContact CG-CG1 4.09Å; M24-V66 HydrophobicContact CG-CG2 3.89Å; M24-V66 HydrophobicContact SD-CG2 3.95Å; A42-V66 CarbonylContact C-O 3.52Å; A42-V66 VanDerWaalsContact CA-O 3.3Å; A42-V66 WeakPolarHBondContact CA-O 3.26Å; E43-V66 HydrophobicContact CG-CB 4.31Å; E43-V66 PolarHBondContact N-O 3.43Å; E43-V66 PolarHBondContact O-N 3.01Å; T64-V66 HydrophobicContact CG2-CG2 3.96Å; V66-F68 HydrophobicContact CG1-CE2 4.47Å; V66-F68 HydrophobicContact CG1-CZ 4.38Å; V66-V94 HydrophobicContact CG1-CB 4.4Å; V66-V94 HydrophobicContact CG1-CG1 3.71Å; V66-V94 HydrophobicContact CG1-CG2 3.73Å; V66-V94 HydrophobicContact CG2-CG2 4.39Å
67T98Very high93.1Very high1 Ų139.9 Ų39.91%0.00621%0.213CC..  trans-128.4137.3168.6-178.50000112.3L19 E20 Y22 Q23 A41 H69 G70L19-T67 HydrophobicContact CB-CG2 3.65Å; L19-T67 HydrophobicContact CD2-CG2 4.04Å; E20-T67 VanDerWaalsContact O-CG2 3.26Å; E20-T67 WeakPolarHBondContact O-CG2 3.45Å; Y22-T67 WeakPolarHBondContact CA-O 2.95Å; Y22-T67 PolarHBondContact N-O 3.33Å; Q23-T67 WeakPolarHBondContact O-CG2 3.48Å; Q23-T67 PolarHBondContact O-N 2.92Å; Q23-T67 VanDerWaalsContact O-N 3.12Å; A41-T67 VanDerWaalsContact O-CB 3.23Å; A41-T67 WeakPolarHBondContact O-CB 3.38Å; A41-T67 PolarHBondContact O-OG1 2.9Å; T67-H69 PolarHBondContact OG1-N 2.62Å; T67-G70 WeakPolarHBondContact OG1-CA 3.49Å; T67-G70 PolarHBondContact OG1-N 3.45Å
68F96.5Very high92.5Very high32 Ų3244.7 Ų44.714%0.1424%0.236CC..SBendtrans-97.4-7175.1-62.6-79.3000113.6K21 Y22 E43 V66 V94 M98K21-F68 WeakPolarHBondContact CE-O 3.43Å; K21-F68 WeakPolarHBondContact CG-O 3.33Å; Y22-F68 HydrophobicContact CD1-CD1 4.01Å; Y22-F68 AromaticContact CE1-CD1 3.95Å; Y22-F68 HydrophobicContact CE1-CD1 3.95Å; E43-F68 HydrophobicContact CG-CE2 4.25Å; V66-F68 HydrophobicContact CG1-CE2 4.47Å; V66-F68 HydrophobicContact CG1-CZ 4.38Å; F68-V94 HydrophobicContact CD1-CG1 4.13Å; F68-V94 HydrophobicContact CE1-CG1 3.26Å; F68-V94 HydrophobicContact CZ-CG1 3.69Å; F68-M98 HydrophobicContact CE1-CG 3.54Å; F68-M98 HydrophobicContact CE1-SD 4Å; F68-M98 HydrophobicContact CE2-SD 4.43Å; F68-M98 HydrophobicContact CZ-CG 3.71Å; F68-M98 HydrophobicContact CZ-SD 3.65Å
69H96.3Very high92.4Very high147 Ų14742.3 Ų42.368%0.68123%0.227SC*.SBendtrans-133.2-16.2-170.1-59.2-64.4000113.3T67T67-H69 PolarHBondContact OG1-N 2.62Å
70G97.7Very high92.7Very high16 Ų1639.1 Ų39.117%0.16521%0.206CC..  trans101145.3-169.200000111.6L19 G40 A41 T67L19-G70 CarbonylContact O-C 3.56Å; L19-G70 WeakPolarHBondContact O-CA 3.08Å; G40-G70 WeakPolarHBondContact CA-O 3.27Å; A41-G70 PolarHBondContact N-O 3.09Å; T67-G70 WeakPolarHBondContact OG1-CA 3.49Å; T67-G70 PolarHBondContact OG1-N 3.45Å
71C98.4Very high93.1Very high8 Ų839.5 Ų39.55%0.05420%0.204CC..EExtended strand (participates in β ladder)trans-156.7167.4178.771.20000112.4L19 L37 S39 A42L19-C71 PolarHBondContact N-O 2.83Å; L19-C71 PolarHBondContact O-N 3.03Å; L37-C71 HydrophobicContact CD1-CB 3.75Å; S39-C71 CarbonylContact O-C 3.52Å; S39-C71 VanDerWaalsContact O-CA 3.25Å; S39-C71 WeakPolarHBondContact O-CA 3.28Å; S39-C71 WeakPolarHBondContact O-CB 3.35Å; A42-C71 HydrophobicContact CB-CB 4.18Å
72K98.4Very high93.4Very high84 Ų8436.9 Ų36.937%0.36520%0.195SC..EExtended strand (participates in β ladder)trans-121.5124169.4-172.1177.5-179.4179.10109.6S16 Y17 V38 S39S16-K72 WeakPolarHBondContact OG-CE 3.3Å; Y17-K72 CarbonylContact O-C 3.54Å; Y17-K72 WeakPolarHBondContact O-CA 3.37Å; V38-K72 HydrophobicContact CB-CB 4.36Å; V38-K72 HydrophobicContact CB-CG 4.39Å; V38-K72 WeakPolarHBondContact CB-O 3.23Å; V38-K72 PolarHBondContact N-O 3.28Å; S39-K72 PolarHBondContact N-O 2.71Å; S39-K72 PolarHBondContact O-N 3.08Å; S39-K72 WeakPolarHBondContact OG-CB 3.39Å
73L97.9Very high93.5Very high0 Ų038.3 Ų38.30%020%0.202CC..EExtended strand (participates in β ladder)trans-111.2150.9178.9-62.6165.1000109.9S16 Y17 L19 L25 L35 T36 L37 L49 V65S16-L73 CarbonylContact C-O 3.16Å; S16-L73 WeakPolarHBondContact CA-O 3.34Å; S16-L73 PolarHBondContact OG-O 2.92Å; Y17-L73 PolarHBondContact N-O 3.07Å; Y17-L73 PolarHBondContact O-N 3.2Å; L19-L73 HydrophobicContact CD1-CD1 4.04Å; L19-L73 HydrophobicContact CD2-CD1 4.18Å; L25-L73 HydrophobicContact CB-CD1 3.97Å; L25-L73 HydrophobicContact CD2-CD1 3.65Å; L25-L73 HydrophobicContact CG-CD1 4.45Å; L35-L73 HydrophobicContact CD2-CD2 4.09Å; T36-L73 CarbonylContact O-C 3.59Å; T36-L73 WeakPolarHBondContact O-CA 3.48Å; L37-L73 HydrophobicContact CB-CD2 4.22Å; L37-L73 HydrophobicContact CD1-CD2 3.88Å; L49-L73 HydrophobicContact CD1-CD2 4.31Å; V65-L73 HydrophobicContact CB-CD1 4.05Å; V65-L73 HydrophobicContact CG1-CD1 3.78Å; V65-L73 HydrophobicContact CG1-CD2 4.29Å; V65-L73 HydrophobicContact CG2-CD1 4.34Å
74I96.4Very high93.7Very high54 Ų5441 Ų4128%0.27721%0.213SC..EExtended strand (participates in β ladder)trans-119.4132.7166.7-76.4174.6000107.9I14 R15 L35 T36 V38I14-I74 HydrophobicContact CG2-CB 4.47Å; I14-I74 HydrophobicContact CG2-CG2 3.27Å; R15-I74 WeakPolarHBondContact O-CA 3.37Å; L35-I74 WeakPolarHBondContact CA-O 3.49Å; T36-I74 PolarHBondContact N-O 2.69Å; T36-I74 PolarHBondContact O-N 3.21Å; V38-I74 HydrophobicContact CG2-CB 4.12Å; V38-I74 HydrophobicContact CG2-CD1 3.4Å; V38-I74 VanDerWaalsContact CG2-CD1 3.4Å; V38-I74 HydrophobicContact CG2-CG1 3.53Å
75V95.4Very high93.8Very high1 Ų140.5 Ų40.51%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-125.3134.2177-178.60000109.2R15 Y17 L25 L35 D77 V80R15-V75 PolarHBondContact N-O 3.26Å; R15-V75 PolarHBondContact O-N 2.82Å; Y17-V75 HydrophobicContact CD2-CB 4.33Å; Y17-V75 HydrophobicContact CD2-CG2 3.8Å; Y17-V75 HydrophobicContact CE2-CB 3.89Å; Y17-V75 HydrophobicContact CE2-CG2 3.74Å; L25-V75 HydrophobicContact CD2-CG2 3.96Å; L35-V75 HydrophobicContact CD1-CG2 4.17Å; L35-V75 HydrophobicContact CG-CG2 4.27Å; V75-D77 PolarHBondContact O-N 2.93Å; V75-V80 HydrophobicContact CG1-CB 3.56Å; V75-V80 HydrophobicContact CG1-CG1 3.63Å; V75-V80 HydrophobicContact CG1-CG2 3.82Å
76Q89.6Confident93.6Very high51 Ų5141.4 Ų41.424%0.23822%0.217CC..EExtended strand (participates in β ladder)trans-74.3120169.8-59.4179.8100109.3G34 E54 V80G34-Q76 VanDerWaalsContact N-CD 3.32Å; G34-Q76 VanDerWaalsContact N-OE1 3.1Å; G34-Q76 PolarHBondContact O-N 2.81Å; E54-Q76 PolarHBondContact OE1-NE2 2.96Å; E54-Q76 PolarHBondContact OE2-NE2 3.27Å; Q76-V80 WeakPolarHBondContact O-CG2 3.32Å
77D76.8Confident93.4Very high31 Ų3140.6 Ų40.617%0.16621%0.212CC..THydrogen-bonded Turntrans-87.3-6.1-162.9-175.246.2000114.4S13 R15 V75 G79S13-D77 WeakPolarHBondContact O-CB 3.41Å; S13-D77 PolarHBondContact O-N 3.3Å; S13-D77 WeakPolarHBondContact OG-CB 3.48Å; S13-D77 PolarHBondContact OG-OD2 3.5Å; S13-D77 VanDerWaalsContact OG-OD2 3.04Å; R15-D77 WeakPolarHBondContact CD-OD1 3.06Å; R15-D77 HydrophobicContact CG-CB 4.07Å; R15-D77 VanDerWaalsContact CZ-CG 3.41Å; R15-D77 IonicContact CZ-OD1 3.44Å; R15-D77 IonicContact CZ-OD2 2.67Å; R15-D77 VanDerWaalsContact CZ-OD2 3.23Å; R15-D77 IonicContact NE-OD1 3.53Å; R15-D77 PolarHBondContact NE-OD1 3.36Å; R15-D77 IonicContact NE-OD2 3.91Å; R15-D77 PolarHBondContact NE-OD2 3.04Å; R15-D77 IonicContact NH1-OD1 3.56Å; R15-D77 VanDerWaalsContact NH2-CG 3.33Å; R15-D77 IonicContact NH2-OD1 2.65Å; R15-D77 PolarHBondContact NH2-OD1 2.7Å; R15-D77 IonicContact NH2-OD2 3.56Å; R15-D77 PolarHBondContact NH2-OD2 3.08Å; V75-D77 PolarHBondContact O-N 2.93Å; D77-G79 PolarHBondContact O-N 2.87Å
78Q79.2Confident93.1Very high105 Ų10544.4 Ų44.449%0.49124%0.239SC..THydrogen-bonded Turntrans-67.9-8.8-174.9-74.1-168.2-2.100114.9S10 P12 S31S10-Q78 PolarHBondContact O-NE2 2.85Å; S10-Q78 PolarHBondContact OG-NE2 2.92Å; P12-Q78 HydrophobicContact CB-CG 4.27Å; S31-Q78 PolarHBondContact OG-O 3.1Å
79G85.3Confident92.9Very high4 Ų449.3 Ų49.34%0.04126%0.262CS..SBendtrans-166.236.2170.700000114.4V29 T30 S31 D77V29-G79 CarbonylContact C-O 3.59Å; V29-G79 VanDerWaalsContact CA-O 3.32Å; V29-G79 WeakPolarHBondContact CA-O 3.4Å; T30-G79 PolarHBondContact N-O 2.95Å; T30-G79 VanDerWaalsContact OG1-CA 3.31Å; T30-G79 WeakPolarHBondContact OG1-CA 3.32Å; T30-G79 PolarHBondContact OG1-O 3.35Å; S31-G79 VanDerWaalsContact OG-CA 3.25Å; S31-G79 WeakPolarHBondContact OG-CA 3.3Å; S31-G79 PolarHBondContact OG-N 2.86Å; D77-G79 PolarHBondContact O-N 2.87Å
80V92.9Very high92.7Very high4 Ų442.5 Ų42.52%0.02423%0.231CC..EExtended strand (participates in β ladder)trans-123.6106.4175-170.50000109.7F27 E28 S33 L57 V75 Q76 A82F27-V80 HydrophobicContact CB-CG1 3.69Å; F27-V80 HydrophobicContact CG-CG1 4.48Å; E28-V80 WeakPolarHBondContact O-CA 3.5Å; S33-V80 WeakPolarHBondContact OG-CG2 3.36Å; L57-V80 HydrophobicContact CD1-CG2 4.34Å; V75-V80 HydrophobicContact CG1-CB 3.56Å; V75-V80 HydrophobicContact CG1-CG1 3.63Å; V75-V80 HydrophobicContact CG1-CG2 3.82Å; Q76-V80 WeakPolarHBondContact O-CG2 3.32Å; V80-A82 HydrophobicContact CG1-CB 4.22Å; V80-A82 PolarHBondContact O-N 2.83Å
81A93.1Very high92.4Very high65 Ų6547.9 Ų47.954%0.53725%0.251SS..EExtended strand (participates in β ladder)trans-79.5108167.400000108.1F27 E28F27-A81 CarbonylContact C-O 3.45Å; F27-A81 VanDerWaalsContact CA-O 3.28Å; F27-A81 WeakPolarHBondContact CA-O 3.32Å; E28-A81 PolarHBondContact N-O 2.6Å; E28-A81 PolarHBondContact O-N 3.28Å
82A94.3Very high92.2Very high20 Ų2051.1 Ų51.117%0.16527%0.266CS..EExtended strand (participates in β ladder)trans-128.1146.3-178.700000113.5Y17 L25 R26 F27 V80Y17-A82 HydrophobicContact CE2-CB 4.38Å; L25-A82 HydrophobicContact CD1-CB 3.99Å; L25-A82 HydrophobicContact CG-CB 4.3Å; R26-A82 CarbonylContact O-C 3.41Å; R26-A82 WeakPolarHBondContact O-CA 3.3Å; R26-A82 WeakPolarHBondContact O-CB 3.49Å; F27-A82 HydrophobicContact CB-CB 4.03Å; V80-A82 HydrophobicContact CG1-CB 4.22Å; V80-A82 PolarHBondContact O-N 2.83Å
83Y94.6Very high91.9Very high122 Ų12247.3 Ų47.348%0.47825%0.25SC..EExtended strand (participates in β ladder)trans-146.5151.4175.764.8-88.1000111.3R26 I85R26-Y83 HydrophobicContact CB-CD1 4.31Å; R26-Y83 HydrophobicContact CB-CE1 3.88Å; R26-Y83 HydrophobicContact CB-CE2 4.08Å; R26-Y83 WeakPolarHBondContact CD-OH 3.37Å; R26-Y83 PolarHBondContact N-O 2.77Å; R26-Y83 PolarHBondContact NH1-OH 3.18Å; R26-Y83 PolarHBondContact O-N 2.99Å; Y83-I85 HydrophobicContact CE2-CB 4.37Å
84I96.9Very high91.7Very high64 Ų6447.7 Ų47.733%0.32825%0.252SS..EExtended strand (participates in β ladder)trans-91.2140.9176.2-60.2173.9000108.9Y17 L19 Q23 M24 L25Y17-I84 HydrophobicContact CD1-CD1 4.08Å; Y17-I84 HydrophobicContact CD1-CG1 4.07Å; L19-I84 HydrophobicContact CD1-CD1 3.92Å; L19-I84 HydrophobicContact CD1-CG1 4.09Å; L19-I84 HydrophobicContact CG-CD1 4.43Å; L19-I84 HydrophobicContact CG-CG1 4.45Å; L19-I84 HydrophobicContact CG-CG2 4.5Å; Q23-I84 HydrophobicContact CB-CG2 4.15Å; Q23-I84 HydrophobicContact CG-CG2 4.39Å; M24-I84 VanDerWaalsContact O-CA 3.32Å; M24-I84 WeakPolarHBondContact O-CA 3.43Å; L25-I84 HydrophobicContact CD1-CG1 3.96Å
85I96.5Very high91.6Very high22 Ų2247.7 Ų47.711%0.11325%0.25CS..EExtended strand (participates in β ladder)trans-139.6142.7171.5-169.9168.3000109.5Q23 M24 Y83 E89 D90Q23-I85 WeakPolarHBondContact CA-O 3.42Å; M24-I85 HydrophobicContact CB-CG2 4.1Å; M24-I85 HydrophobicContact CE-CG2 4.18Å; M24-I85 PolarHBondContact N-O 2.9Å; M24-I85 PolarHBondContact O-N 3.27Å; Y83-I85 HydrophobicContact CE2-CB 4.37Å; I85-E89 HydrophobicContact CD1-CB 4.07Å; I85-E89 HydrophobicContact CG1-CB 3.72Å; I85-D90 HydrophobicContact CD1-CB 4.22Å
86A95Very high91.7Very high19 Ų1949.1 Ų49.116%0.15726%0.259CS..EExtended strand (participates in β ladder)trans-79.5150171.200000111.5Q23 S88 E89 D90Q23-A86 HydrophobicContact CG-CB 4.46Å; A86-S88 PolarHBondContact O-N 2.8Å; A86-E89 HydrophobicContact CB-CG 4.21Å; A86-E89 VanDerWaalsContact CB-OE2 3.29Å; A86-E89 WeakPolarHBondContact CB-OE2 3.44Å; A86-E89 PolarHBondContact N-OE2 2.74Å; A86-E89 WeakPolarHBondContact O-CB 3.45Å; A86-E89 PolarHBondContact O-N 2.79Å; A86-D90 PolarHBondContact O-N 2.85Å
87S91.6Very high92Very high2 Ų247.9 Ų47.91%0.01425%0.252CS..G310 helixtrans-54-37.9173.81760000112.8Y22 E89 D90 E92 H95Y22-S87 VanDerWaalsContact O-CB 3.27Å; Y22-S87 WeakPolarHBondContact O-CB 3.01Å; Y22-S87 PolarHBondContact O-N 2.97Å; S87-E89 VanDerWaalsContact C-N 3.26Å; S87-E89 PolarHBondContact O-N 3.46Å; S87-D90 CarbonylContact O-C 3.58Å; S87-D90 PolarHBondContact O-N 2.96Å; S87-E92 WeakPolarHBondContact CB-OE2 3.22Å; S87-E92 VanDerWaalsContact O-CA 3.29Å; S87-E92 WeakPolarHBondContact O-CA 3.15Å; S87-E92 PolarHBondContact O-N 3.07Å; S87-E92 WeakPolarHBondContact OG-CA 3.33Å; S87-E92 PolarHBondContact OG-OE2 3.16Å; S87-H95 PolarHBondContact OG-ND1 3.35Å
88S92.1Very high92.9Very high82 Ų8249.6 Ų49.657%0.57326%0.26SS*.G310 helixtrans-64.5-27.4178.452.90000113.8A86 D90 E92A86-S88 PolarHBondContact O-N 2.8Å; S88-D90 VanDerWaalsContact C-N 3.32Å; S88-E92 VanDerWaalsContact CA-OE1 3.3Å; S88-E92 WeakPolarHBondContact CA-OE1 3.41Å; S88-E92 WeakPolarHBondContact CB-OE1 3.41Å
89E92.2Very high93.8Very high135 Ų13549.4 Ų49.463%0.63126%0.262SS*.G310 helixtrans-81-14.9175.1-61.4173.5102.500112.1I85 A86 S87I85-E89 HydrophobicContact CD1-CB 4.07Å; I85-E89 HydrophobicContact CG1-CB 3.72Å; A86-E89 HydrophobicContact CB-CG 4.21Å; A86-E89 VanDerWaalsContact CB-OE2 3.29Å; A86-E89 WeakPolarHBondContact CB-OE2 3.44Å; A86-E89 PolarHBondContact N-OE2 2.74Å; A86-E89 WeakPolarHBondContact O-CB 3.45Å; A86-E89 PolarHBondContact O-N 2.79Å; S87-E89 VanDerWaalsContact C-N 3.26Å; S87-E89 PolarHBondContact O-N 3.46Å
90D92.4Very high94.4Very high3 Ų350 Ų502%0.01627%0.265CS..G310 helixtrans-115.943.4-178.2-16429.8000112.4M24 R26 I85 A86 S87 S88 E92 I93 S297M24-D90 HydrophobicContact CE-CB 3.95Å; R26-D90 IonicContact CZ-OD2 3.43Å; R26-D90 VanDerWaalsContact NH2-CG 3.31Å; R26-D90 IonicContact NH2-OD1 2.68Å; R26-D90 PolarHBondContact NH2-OD1 3.03Å; R26-D90 IonicContact NH2-OD2 3.12Å; R26-D90 PolarHBondContact NH2-OD2 3.22Å; I85-D90 HydrophobicContact CD1-CB 4.22Å; A86-D90 PolarHBondContact O-N 2.85Å; S87-D90 CarbonylContact O-C 3.58Å; S87-D90 PolarHBondContact O-N 2.96Å; S88-D90 VanDerWaalsContact C-N 3.32Å; D90-E92 PolarHBondContact O-N 2.9Å; D90-E92 VanDerWaalsContact O-N 3.09Å; D90-I93 HydrophobicContact CB-CG2 4.26Å; D90-I93 WeakPolarHBondContact O-CB 3.12Å; D90-I93 PolarHBondContact O-N 3.26Å; D90-I93 VanDerWaalsContact O-N 3.08Å; D90-I93 VanDerWaalsContact OD2-CG2 3.26Å; D90-I93 WeakPolarHBondContact OD2-CG2 3.32Å; D90-S297 VanDerWaalsContact CG-OG 3.23Å; D90-S297 WeakPolarHBondContact OD1-CB 3.29Å; D90-S297 PolarHBondContact OD1-N 3.4Å; D90-S297 PolarHBondContact OD1-OG 2.79Å
91Q91.5Very high94.6Very high129 Ų12950.6 Ų50.660%0.60327%0.267SS*.THydrogen-bonded Turntrans54.931.1176.5-54.2-176.720.400113.8I93 P294Q91-I93 PolarHBondContact O-N 2.77Å; Q91-P294 HydrophobicContact CB-CB 3.8Å; Q91-P294 HydrophobicContact CB-CG 4.3Å; Q91-P294 HydrophobicContact CG-CB 4.47Å
92E93.6Very high94.9Very high76 Ų7649.8 Ų49.836%0.35526%0.261SS..THydrogen-bonded Turntrans55.331-177.8-60.5-66.8-177.500114S87 S88 D90 V94 H95 V96S87-E92 WeakPolarHBondContact CB-OE2 3.22Å; S87-E92 VanDerWaalsContact O-CA 3.29Å; S87-E92 WeakPolarHBondContact O-CA 3.15Å; S87-E92 PolarHBondContact O-N 3.07Å; S87-E92 WeakPolarHBondContact OG-CA 3.33Å; S87-E92 PolarHBondContact OG-OE2 3.16Å; S88-E92 VanDerWaalsContact CA-OE1 3.3Å; S88-E92 WeakPolarHBondContact CA-OE1 3.41Å; S88-E92 WeakPolarHBondContact CB-OE1 3.41Å; D90-E92 PolarHBondContact O-N 2.9Å; D90-E92 VanDerWaalsContact O-N 3.09Å; E92-V94 PolarHBondContact O-N 3.4Å; E92-V94 VanDerWaalsContact O-N 3.09Å; E92-H95 HydrophobicContact CB-CB 4.31Å; E92-H95 WeakPolarHBondContact O-CA 3.34Å; E92-H95 WeakPolarHBondContact O-CB 3.36Å; E92-H95 PolarHBondContact O-N 2.8Å; E92-H95 IonicContact OE2-CE1 3.23Å; E92-H95 PolarHBondContact OE2-CE1 2.87Å; E92-H95 VanDerWaalsContact OE2-CE1 3.28Å; E92-H95 IonicContact OE2-CG 2.91Å; E92-H95 IonicContact OE2-ND1 2.85Å; E92-H95 PolarHBondContact OE2-ND1 3.48Å; E92-V96 WeakPolarHBondContact O-CG2 3.39Å; E92-V96 PolarHBondContact O-N 3.29Å
93I93Very high95.1Very high5 Ų554.2 Ų54.23%0.02628%0.281CS..Hα-helixtrans-54.9-35.6-172-165.966.8000113.4M24 D90 Q91 V96 Y97 P294M24-I93 HydrophobicContact CE-CG2 4.03Å; M24-I93 HydrophobicContact SD-CG2 4.42Å; D90-I93 HydrophobicContact CB-CG2 4.26Å; D90-I93 WeakPolarHBondContact O-CB 3.12Å; D90-I93 PolarHBondContact O-N 3.26Å; D90-I93 VanDerWaalsContact O-N 3.08Å; D90-I93 VanDerWaalsContact OD2-CG2 3.26Å; D90-I93 WeakPolarHBondContact OD2-CG2 3.32Å; Q91-I93 PolarHBondContact O-N 2.77Å; I93-V96 WeakPolarHBondContact O-CB 3.48Å; I93-V96 PolarHBondContact O-N 3.03Å; I93-Y97 HydrophobicContact CD1-CD1 4.26Å; I93-Y97 HydrophobicContact CD1-CE1 3.53Å; I93-Y97 HydrophobicContact CG1-CD1 4.3Å; I93-Y97 HydrophobicContact CG1-CE1 3.7Å; I93-Y97 HydrophobicContact CG1-CE2 4.46Å; I93-Y97 WeakPolarHBondContact O-CD1 3.45Å; I93-Y97 PolarHBondContact O-N 3.31Å; I93-P294 HydrophobicContact CD1-CG 3.91Å
94V92.8Very high95.3Very high7 Ų748.7 Ų48.74%0.04226%0.26CS..Hα-helixtrans-66.6-44.7178.6175.70000110.4M24 V66 F68 E92 V96 Y97 M98M24-V94 HydrophobicContact CE-CG2 3.79Å; M24-V94 HydrophobicContact CG-CG2 4Å; M24-V94 HydrophobicContact SD-CG2 3.28Å; M24-V94 WeakPolarHBondContact SD-CG2 3.21Å; V66-V94 HydrophobicContact CG1-CB 4.4Å; V66-V94 HydrophobicContact CG1-CG1 3.71Å; V66-V94 HydrophobicContact CG1-CG2 3.73Å; V66-V94 HydrophobicContact CG2-CG2 4.39Å; F68-V94 HydrophobicContact CD1-CG1 4.13Å; F68-V94 HydrophobicContact CE1-CG1 3.26Å; F68-V94 HydrophobicContact CZ-CG1 3.69Å; E92-V94 PolarHBondContact O-N 3.4Å; E92-V94 VanDerWaalsContact O-N 3.09Å; V94-V96 VanDerWaalsContact C-N 3.31Å; V94-V96 PolarHBondContact O-N 3.5Å; V94-Y97 PolarHBondContact O-N 2.54Å; V94-M98 WeakPolarHBondContact O-CG 3.34Å; V94-M98 PolarHBondContact O-N 3.29Å; V94-M98 VanDerWaalsContact O-N 3.09Å
95H95.3Very high95.3Very high55 Ų5546.4 Ų46.426%0.25525%0.248SC..Hα-helixtrans-65.4-36.3175.1-64.8103.3000111.6Y22 S87 E92 M98 N99Y22-H95 AromaticContact CD1-NE2 3.68Å; Y22-H95 AromaticContact CE1-NE2 3.63Å; Y22-H95 AromaticContact CG-CE1 3.98Å; Y22-H95 AromaticContact CG-NE2 3.95Å; Y22-H95 AromaticContact CZ-NE2 3.85Å; S87-H95 PolarHBondContact OG-ND1 3.35Å; E92-H95 HydrophobicContact CB-CB 4.31Å; E92-H95 WeakPolarHBondContact O-CA 3.34Å; E92-H95 WeakPolarHBondContact O-CB 3.36Å; E92-H95 PolarHBondContact O-N 2.8Å; E92-H95 IonicContact OE2-CE1 3.23Å; E92-H95 PolarHBondContact OE2-CE1 2.87Å; E92-H95 VanDerWaalsContact OE2-CE1 3.28Å; E92-H95 IonicContact OE2-CG 2.91Å; E92-H95 IonicContact OE2-ND1 2.85Å; E92-H95 PolarHBondContact OE2-ND1 3.48Å; H95-M98 PolarHBondContact O-N 2.9Å; H95-N99 VanDerWaalsContact O-CB 3.32Å; H95-N99 WeakPolarHBondContact O-CB 3.45Å; H95-N99 PolarHBondContact O-N 3.09Å; H95-N99 PolarHBondContact O-ND2 3.03Å
96V96.4Very high95.4Very high31 Ų3149.8 Ų49.819%0.18827%0.269CS..Hα-helixtrans-59-49.1174.6172.70000110.7E92 I93 V94 M98 N99 I100 L293 P294E92-V96 WeakPolarHBondContact O-CG2 3.39Å; E92-V96 PolarHBondContact O-N 3.29Å; I93-V96 WeakPolarHBondContact O-CB 3.48Å; I93-V96 PolarHBondContact O-N 3.03Å; V94-V96 VanDerWaalsContact C-N 3.31Å; V94-V96 PolarHBondContact O-N 3.5Å; V96-M98 VanDerWaalsContact C-N 3.35Å; V96-M98 PolarHBondContact O-N 3.42Å; V96-N99 PolarHBondContact O-N 3.41Å; V96-I100 HydrophobicContact CG1-CD1 3.8Å; V96-I100 WeakPolarHBondContact O-CD1 3.49Å; V96-I100 VanDerWaalsContact O-CG1 3.25Å; V96-I100 WeakPolarHBondContact O-CG1 3.49Å; V96-I100 PolarHBondContact O-N 3.44Å; V96-L293 HydrophobicContact CG1-CD2 3.82Å; V96-P294 HydrophobicContact CG2-CG 4.03Å
97Y96Very high95.6Very high25 Ų2551.4 Ų51.410%0.09828%0.279CS..Hα-helixtrans-63.7-41.4-179.7-69.57.2000111.8I93 V94 I100 H101 L134 T137I93-Y97 HydrophobicContact CD1-CD1 4.26Å; I93-Y97 HydrophobicContact CD1-CE1 3.53Å; I93-Y97 HydrophobicContact CG1-CD1 4.3Å; I93-Y97 HydrophobicContact CG1-CE1 3.7Å; I93-Y97 HydrophobicContact CG1-CE2 4.46Å; I93-Y97 WeakPolarHBondContact O-CD1 3.45Å; I93-Y97 PolarHBondContact O-N 3.31Å; V94-Y97 PolarHBondContact O-N 2.54Å; Y97-I100 PolarHBondContact O-N 2.85Å; Y97-H101 PolarHBondContact O-N 3.39Å; Y97-L134 HydrophobicContact CD1-CD1 3.53Å; Y97-L134 HydrophobicContact CD2-CD1 4.26Å; Y97-L134 HydrophobicContact CE1-CB 4.38Å; Y97-L134 HydrophobicContact CE1-CD1 3.66Å; Y97-L134 HydrophobicContact CE1-CG 4.42Å; Y97-L134 HydrophobicContact CE2-CD1 4.37Å; Y97-L134 HydrophobicContact CG-CD1 3.86Å; Y97-T137 HydrophobicContact CD2-CG2 4.23Å
98M95.8Very high95.9Very high67 Ų6751.4 Ų51.433%0.3328%0.279SS..Hα-helixtrans-63.4-44.3176.2-74.1-56.8-61.500112.6F68 V94 H95 V96 H101 A102 Y141F68-M98 HydrophobicContact CE1-CG 3.54Å; F68-M98 HydrophobicContact CE1-SD 4Å; F68-M98 HydrophobicContact CE2-SD 4.43Å; F68-M98 HydrophobicContact CZ-CG 3.71Å; F68-M98 HydrophobicContact CZ-SD 3.65Å; V94-M98 WeakPolarHBondContact O-CG 3.34Å; V94-M98 PolarHBondContact O-N 3.29Å; V94-M98 VanDerWaalsContact O-N 3.09Å; H95-M98 PolarHBondContact O-N 2.9Å; V96-M98 VanDerWaalsContact C-N 3.35Å; V96-M98 PolarHBondContact O-N 3.42Å; M98-H101 PolarHBondContact O-N 3.43Å; M98-A102 WeakPolarHBondContact O-CB 3.48Å; M98-A102 PolarHBondContact O-N 3.36Å; M98-Y141 HydrophobicContact SD-CD2 4.44Å; M98-Y141 HydrophobicContact SD-CE2 3.66Å
99N97.5Very high96.2Very high100 Ų10052 Ų5254%0.53527%0.273SS..Hα-helixtrans-65.5-40.5179.2-72.6-19.2000111.7H95 V96 A102 N103H95-N99 VanDerWaalsContact O-CB 3.32Å; H95-N99 WeakPolarHBondContact O-CB 3.45Å; H95-N99 PolarHBondContact O-N 3.09Å; H95-N99 PolarHBondContact O-ND2 3.03Å; V96-N99 PolarHBondContact O-N 3.41Å; N99-A102 PolarHBondContact O-N 2.81Å; N99-N103 PolarHBondContact O-N 3.41Å; N99-N103 PolarHBondContact O-ND2 2.9Å
100I98.3Very high96.5Very high18 Ų1851.3 Ų51.39%0.09227%0.268CS..Hα-helixtrans-59.4-51.4173-66.3160.3000109.5V96 Y97 A102 N103 L104 L134 L138 L269 L293V96-I100 HydrophobicContact CG1-CD1 3.8Å; V96-I100 WeakPolarHBondContact O-CD1 3.49Å; V96-I100 VanDerWaalsContact O-CG1 3.25Å; V96-I100 WeakPolarHBondContact O-CG1 3.49Å; V96-I100 PolarHBondContact O-N 3.44Å; Y97-I100 PolarHBondContact O-N 2.85Å; I100-A102 VanDerWaalsContact C-N 3.33Å; I100-A102 PolarHBondContact O-N 3Å; I100-N103 PolarHBondContact O-N 2.78Å; I100-L104 HydrophobicContact CG2-CD1 3.94Å; I100-L104 HydrophobicContact CG2-CG 4.34Å; I100-L104 VanDerWaalsContact O-CG 3.3Å; I100-L104 WeakPolarHBondContact O-CG 3.25Å; I100-L104 PolarHBondContact O-N 3.18Å; I100-L134 HydrophobicContact CD1-CD1 4.42Å; I100-L138 HydrophobicContact CB-CD2 4.31Å; I100-L138 HydrophobicContact CG2-CD1 3.92Å; I100-L138 HydrophobicContact CG2-CD2 3.88Å; I100-L269 HydrophobicContact CD1-CD1 4.22Å; I100-L269 HydrophobicContact CG2-CD1 3.91Å; I100-L293 HydrophobicContact CD1-CD1 3.59Å; I100-L293 HydrophobicContact CD1-CD2 3.83Å; I100-L293 HydrophobicContact CD1-CG 4.39Å
101H98.3Very high96.8Very high16 Ų1651.3 Ų51.37%0.07427%0.268CS..Hα-helixtrans-59.1-43.7179.9177.867.2000112.5Y97 M98 N103 L104 E105 L138 Y141Y97-H101 PolarHBondContact O-N 3.39Å; M98-H101 PolarHBondContact O-N 3.43Å; H101-N103 PolarHBondContact O-N 2.86Å; H101-L104 PolarHBondContact O-N 3.02Å; H101-E105 WeakPolarHBondContact O-CB 3.33Å; H101-E105 PolarHBondContact O-N 2.8Å; H101-L138 HydrophobicContact CB-CD2 3.88Å; H101-Y141 HydrophobicContact CB-CD2 3.83Å; H101-Y141 VanDerWaalsContact CE1-C 3.44Å; H101-Y141 WeakPolarHBondContact CE1-CB 3.5Å; H101-Y141 AromaticContact CG-CD2 3.78Å; H101-Y141 VanDerWaalsContact ND1-CB 3.34Å; H101-Y141 WeakPolarHBondContact ND1-CB 3.41Å
102A98.4Very high97.1Very high48 Ų4848.3 Ų48.340%0.39726%0.258SS..Hα-helixtrans-60.4-42.617800000112.2M98 N99 I100 E105 V106M98-A102 WeakPolarHBondContact O-CB 3.48Å; M98-A102 PolarHBondContact O-N 3.36Å; N99-A102 PolarHBondContact O-N 2.81Å; I100-A102 VanDerWaalsContact C-N 3.33Å; I100-A102 PolarHBondContact O-N 3Å; A102-E105 WeakPolarHBondContact O-CB 3.48Å; A102-E105 PolarHBondContact O-N 2.79Å; A102-V106 WeakPolarHBondContact O-CG2 3.49Å; A102-V106 PolarHBondContact O-N 3.3Å; A102-V106 VanDerWaalsContact O-N 3.12Å
103N98.3Very high97.3Very high112 Ų11253.4 Ų53.460%0.59928%0.279SS*.Hα-helixtrans-64.7-43175.4-72.4-24.3000111.8N99 I100 H101 E105 V106 S107N99-N103 PolarHBondContact O-N 3.41Å; N99-N103 PolarHBondContact O-ND2 2.9Å; I100-N103 PolarHBondContact O-N 2.78Å; H101-N103 PolarHBondContact O-N 2.86Å; N103-E105 VanDerWaalsContact C-N 3.3Å; N103-E105 PolarHBondContact O-N 3.12Å; N103-V106 PolarHBondContact O-N 3.5Å; N103-S107 PolarHBondContact O-N 3.1Å; N103-S107 VanDerWaalsContact O-N 3.14Å; N103-S107 PolarHBondContact O-OG 3Å
104L98.5Very high97.5Very high7 Ų758.4 Ų58.44%0.03730%0.303CS..Hα-helixtrans-65.6-34.3176.3-62.5177.4000112.3I100 H101 S107 R108 P119 V121 L138I100-L104 HydrophobicContact CG2-CD1 3.94Å; I100-L104 HydrophobicContact CG2-CG 4.34Å; I100-L104 VanDerWaalsContact O-CG 3.3Å; I100-L104 WeakPolarHBondContact O-CG 3.25Å; I100-L104 PolarHBondContact O-N 3.18Å; H101-L104 PolarHBondContact O-N 3.02Å; L104-S107 PolarHBondContact O-N 3.33Å; L104-R108 WeakPolarHBondContact O-CG 3.45Å; L104-R108 PolarHBondContact O-N 3.42Å; L104-P119 HydrophobicContact CB-CG 4.38Å; L104-P119 HydrophobicContact CD2-CB 3.87Å; L104-P119 HydrophobicContact CD2-CG 4.1Å; L104-V121 HydrophobicContact CD1-CG2 3.82Å; L104-V121 HydrophobicContact CD2-CG2 3.31Å; L104-V121 HydrophobicContact CG-CG2 4.2Å; L104-L138 HydrophobicContact CD1-CD1 4.35Å
105E98.5Very high97.6Very high16 Ų1663.2 Ų63.28%0.07533%0.325CS..Hα-helixtrans-62.8-42.2174.5175.765.7-179.300111.6H101 A102 N103 S107 R108 Q109 R145 H147H101-E105 WeakPolarHBondContact O-CB 3.33Å; H101-E105 PolarHBondContact O-N 2.8Å; A102-E105 WeakPolarHBondContact O-CB 3.48Å; A102-E105 PolarHBondContact O-N 2.79Å; N103-E105 VanDerWaalsContact C-N 3.3Å; N103-E105 PolarHBondContact O-N 3.12Å; E105-S107 VanDerWaalsContact C-N 3.33Å; E105-S107 PolarHBondContact O-N 3.45Å; E105-R108 PolarHBondContact O-N 3.24Å; E105-Q109 VanDerWaalsContact O-CG 3.28Å; E105-Q109 WeakPolarHBondContact O-CG 3.42Å; E105-Q109 PolarHBondContact O-N 3.46Å; E105-Q109 PolarHBondContact OE1-NE2 3.17Å; E105-R145 IonicContact OE1-CZ 3.9Å; E105-R145 IonicContact OE1-NE 3.47Å; E105-R145 PolarHBondContact OE1-NE 2.79Å; E105-R145 IonicContact OE1-NH2 3.79Å; E105-R145 PolarHBondContact OE1-NH2 2.86Å; E105-H147 IonicContact OE1-NE2 3.44Å; E105-H147 IonicContact OE2-CD2 2.74Å; E105-H147 PolarHBondContact OE2-CD2 3.01Å; E105-H147 IonicContact OE2-CE1 3.59Å; E105-H147 IonicContact OE2-NE2 3.79Å; E105-H147 PolarHBondContact OE2-NE2 2.98Å
106V98.4Very high97.7Very high92 Ų9262.4 Ų62.456%0.55833%0.325SS*.Hα-helixtrans-60-44.7173.1173.10000110.7A102 N103 R108 Q109 K110A102-V106 WeakPolarHBondContact O-CG2 3.49Å; A102-V106 PolarHBondContact O-N 3.3Å; A102-V106 VanDerWaalsContact O-N 3.12Å; N103-V106 PolarHBondContact O-N 3.5Å; V106-R108 PolarHBondContact O-N 3Å; V106-Q109 PolarHBondContact O-N 3.47Å; V106-K110 PolarHBondContact O-N 2.98Å
107S98.3Very high97.7Very high53 Ų5364.3 Ų64.337%0.37133%0.329SS..Hα-helixtrans-62.2-41.1176.5-60.40000112.5N103 L104 E105 K110 A111N103-S107 PolarHBondContact O-N 3.1Å; N103-S107 VanDerWaalsContact O-N 3.14Å; N103-S107 PolarHBondContact O-OG 3Å; L104-S107 PolarHBondContact O-N 3.33Å; E105-S107 VanDerWaalsContact C-N 3.33Å; E105-S107 PolarHBondContact O-N 3.45Å; S107-K110 PolarHBondContact O-N 3.37Å; S107-A111 WeakPolarHBondContact O-CB 3.48Å; S107-A111 PolarHBondContact O-N 3.03Å
108R98.5Very high97.8Very high2 Ų263.2 Ų63.21%0.00833%0.325CS..Hα-helixtrans-64.2-43.7174.9-71.1-178.7-165.999.14.5112L104 E105 V106 K110 A111 V112 P119 S229L104-R108 WeakPolarHBondContact O-CG 3.45Å; L104-R108 PolarHBondContact O-N 3.42Å; E105-R108 PolarHBondContact O-N 3.24Å; V106-R108 PolarHBondContact O-N 3Å; R108-K110 VanDerWaalsContact C-N 3.31Å; R108-K110 PolarHBondContact O-N 3.28Å; R108-A111 WeakPolarHBondContact O-CB 3.25Å; R108-A111 PolarHBondContact O-N 3.26Å; R108-V112 WeakPolarHBondContact O-CG2 3.39Å; R108-V112 PolarHBondContact O-N 2.71Å; R108-P119 HydrophobicContact CG-CG 3.98Å; R108-S229 PolarHBondContact NE-O 2.73Å
109Q98.3Very high97.9Very high96 Ų9660.3 Ų60.345%0.44931%0.311SS..Hα-helixtrans-62.6-40.3177.8-72.1172.7700111.9E105 V106 V112 K113E105-Q109 VanDerWaalsContact O-CG 3.28Å; E105-Q109 WeakPolarHBondContact O-CG 3.42Å; E105-Q109 PolarHBondContact O-N 3.46Å; E105-Q109 PolarHBondContact OE1-NE2 3.17Å; V106-Q109 PolarHBondContact O-N 3.47Å; Q109-V112 PolarHBondContact O-N 2.98Å; Q109-K113 PolarHBondContact O-N 2.94Å
110K98.4Very high98Very high120 Ų12055.8 Ų55.852%0.52229%0.287SS..Hα-helixtrans-60.5-48.5171.9-176-176.2174.3-170.90110.9V106 S107 R108 V112 K113 E114V106-K110 PolarHBondContact O-N 2.98Å; S107-K110 PolarHBondContact O-N 3.37Å; R108-K110 VanDerWaalsContact C-N 3.31Å; R108-K110 PolarHBondContact O-N 3.28Å; K110-V112 PolarHBondContact O-N 2.86Å; K110-K113 PolarHBondContact O-N 3.03Å; K110-K113 VanDerWaalsContact O-N 3.14Å; K110-E114 VanDerWaalsContact CE-CD 3.41Å; K110-E114 WeakPolarHBondContact CE-OE1 3.47Å; K110-E114 WeakPolarHBondContact CE-OE2 3.38Å; K110-E114 HydrophobicContact CG-CG 4.42Å; K110-E114 WeakPolarHBondContact CG-OE1 3.41Å; K110-E114 WeakPolarHBondContact O-CB 3.25Å; K110-E114 PolarHBondContact O-N 3.06Å
111A98.1Very high98Very high2 Ų255 Ų552%0.01728%0.283CS..Hα-helixtrans-58.4-43.2177.800000112.6S107 R108 K113 E114 Q115 S116 T228S107-A111 WeakPolarHBondContact O-CB 3.48Å; S107-A111 PolarHBondContact O-N 3.03Å; R108-A111 WeakPolarHBondContact O-CB 3.25Å; R108-A111 PolarHBondContact O-N 3.26Å; A111-K113 PolarHBondContact O-N 3.3Å; A111-E114 PolarHBondContact O-N 3.5Å; A111-Q115 VanDerWaalsContact O-CA 3.3Å; A111-Q115 WeakPolarHBondContact O-CA 3.38Å; A111-Q115 PolarHBondContact O-N 3.2Å; A111-S116 WeakPolarHBondContact CA-OG 3.23Å; A111-S116 WeakPolarHBondContact CB-O 3.46Å; A111-S116 PolarHBondContact O-N 3.18Å; A111-T228 HydrophobicContact CB-CG2 4.42Å
112V98Very high98Very high66 Ų6654.2 Ų54.240%0.428%0.279SS..Hα-helixtrans-60.5-45.4174171.20000111.4R108 Q109 K110 Q115 T228R108-V112 WeakPolarHBondContact O-CG2 3.39Å; R108-V112 PolarHBondContact O-N 2.71Å; Q109-V112 PolarHBondContact O-N 2.98Å; K110-V112 PolarHBondContact O-N 2.86Å; V112-Q115 PolarHBondContact O-N 3.39Å; V112-Q115 PolarHBondContact O-NE2 2.95Å; V112-T228 HydrophobicContact CG2-CG2 4.25Å
113K98.1Very high98Very high184 Ų18452 Ų5280%0.826%0.26SS*.Hα-helixtrans-65.6-40-180-176.6-175.6176.3-172.40112.3Q109 K110 A111Q109-K113 PolarHBondContact O-N 2.94Å; K110-K113 PolarHBondContact O-N 3.03Å; K110-K113 VanDerWaalsContact O-N 3.14Å; A111-K113 PolarHBondContact O-N 3.3Å
114E97.6Very high98Very high109 Ų10946.6 Ų46.651%0.50923%0.232SC..Hα-helixtrans-90.3-3.9-176.4-67174.2-176.700113.1K110 A111 S116K110-E114 VanDerWaalsContact CE-CD 3.41Å; K110-E114 WeakPolarHBondContact CE-OE1 3.47Å; K110-E114 WeakPolarHBondContact CE-OE2 3.38Å; K110-E114 HydrophobicContact CG-CG 4.42Å; K110-E114 WeakPolarHBondContact CG-OE1 3.41Å; K110-E114 WeakPolarHBondContact O-CB 3.25Å; K110-E114 PolarHBondContact O-N 3.06Å; A111-E114 PolarHBondContact O-N 3.5Å; E114-S116 PolarHBondContact O-N 2.98Å
115Q95.7Very high97.8Very high109 Ų10946.3 Ų46.351%0.50923%0.23SC..THydrogen-bonded Turntrans51.143.4-171.9-60.7-71.6-70.900111.5A111 V112 M224A111-Q115 VanDerWaalsContact O-CA 3.3Å; A111-Q115 WeakPolarHBondContact O-CA 3.38Å; A111-Q115 PolarHBondContact O-N 3.2Å; V112-Q115 PolarHBondContact O-N 3.39Å; V112-Q115 PolarHBondContact O-NE2 2.95Å; Q115-M224 HydrophobicContact CB-CE 4.36Å; Q115-M224 HydrophobicContact CB-SD 4.38Å; Q115-M224 VanDerWaalsContact OE1-CE 3.3Å; Q115-M224 PolarHBondContact OE1-SD 3.28Å; Q115-M224 VanDerWaalsContact OE1-SD 3.34Å
116S96.5Very high97.6Very high38 Ų3847.1 Ų47.127%0.26623%0.234SC..  trans-117.5176.9-174.767.20000111.5A111 E114 G118 F227 T228A111-S116 WeakPolarHBondContact CA-OG 3.23Å; A111-S116 WeakPolarHBondContact CB-O 3.46Å; A111-S116 PolarHBondContact O-N 3.18Å; E114-S116 PolarHBondContact O-N 2.98Å; S116-G118 PolarHBondContact O-N 3.22Å; S116-F227 WeakPolarHBondContact O-CD1 3.48Å; S116-T228 WeakPolarHBondContact O-CG2 3.36Å
117R96.6Very high97.2Very high71 Ų7145.9 Ų45.927%0.26822%0.222SC..PPolyproline II helixtrans-65.6132-178.5-169.3-176.477.6-179.74.8110.9F227 E264 D266R117-F227 HydrophobicContact CB-CD2 4.41Å; R117-F227 HydrophobicContact CB-CE2 3.72Å; R117-F227 HydrophobicContact CB-CZ 3.85Å; R117-F227 HydrophobicContact CG-CD2 4.43Å; R117-F227 HydrophobicContact CG-CE2 3.99Å; R117-E264 IonicContact CZ-OE2 2.79Å; R117-E264 IonicContact NH1-OE2 3.46Å; R117-E264 PolarHBondContact NH1-OE2 3.08Å; R117-E264 PolarHBondContact NH2-O 3.28Å; R117-D266 IonicContact CZ-OD1 3.29Å; R117-D266 IonicContact NH2-OD1 3.58Å; R117-D266 PolarHBondContact NH2-OD1 2.77Å; R117-D266 IonicContact NH2-OD2 3.53Å
118G98.1Very high96.9Very high1 Ų144 Ų441%0.0121%0.209CC..PPolyproline II helixtrans-70.7169.4171.200000113.1S116 R120 F227 T228S116-G118 PolarHBondContact O-N 3.22Å; G118-R120 PolarHBondContact O-N 3.03Å; G118-F227 PolarHBondContact N-O 3.45Å; G118-T228 VanDerWaalsContact CA-O 3.22Å; G118-T228 WeakPolarHBondContact CA-O 3.45Å
119P98.4Very high96.7Very high6 Ų644 Ų444%0.03921%0.209CC..PPolyproline II helixtrans-67.3134.5-174.329.1-35.9000112.3L104 R108 V121 G230 C231 D266L104-P119 HydrophobicContact CB-CG 4.38Å; L104-P119 HydrophobicContact CD2-CB 3.87Å; L104-P119 HydrophobicContact CD2-CG 4.1Å; R108-P119 HydrophobicContact CG-CG 3.98Å; P119-V121 HydrophobicContact CB-CG2 4.49Å; P119-G230 CarbonylContact O-C 3.55Å; P119-G230 VanDerWaalsContact O-CA 3.31Å; P119-G230 WeakPolarHBondContact O-CA 3.26Å; P119-C231 PolarHBondContact O-N 2.87Å; P119-D266 WeakPolarHBondContact CA-OD2 2.82Å
120R98.6Very high96.5Very high6 Ų640.1 Ų40.12%0.02319%0.194CC..EExtended strand (participates in β ladder)trans-106.5111.2173.4-64-170172.5178.9-1.3110.4G118 N217 C231 F263 D266 T267G118-R120 PolarHBondContact O-N 3.03Å; R120-N217 PolarHBondContact NH1-OD1 3.04Å; R120-N217 PolarHBondContact NH2-OD1 3.29Å; R120-C231 HydrophobicContact CB-CB 4.46Å; R120-C231 HydrophobicContact CG-CB 4.1Å; R120-F263 WeakPolarHBondContact CD-O 3.48Å; R120-F263 PolarHBondContact NH1-O 3.49Å; R120-D266 PolarHBondContact N-OD2 3.5Å; R120-D266 PolarHBondContact O-N 3.41Å; R120-T267 PolarHBondContact O-N 3.47Å
121V98.7Very high96.4Very high1 Ų135 Ų351%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-114.2122.5-171.3-172.60000110.5L104 P119 C231 I233 T267 L269L104-V121 HydrophobicContact CD1-CG2 3.82Å; L104-V121 HydrophobicContact CD2-CG2 3.31Å; L104-V121 HydrophobicContact CG-CG2 4.2Å; P119-V121 HydrophobicContact CB-CG2 4.49Å; V121-C231 PolarHBondContact N-O 3.38Å; V121-I233 PolarHBondContact O-N 2.81Å; V121-T267 CarbonylContact C-O 3.59Å; V121-T267 VanDerWaalsContact CA-O 3.31Å; V121-T267 WeakPolarHBondContact CA-O 3.43Å; V121-T267 HydrophobicContact CG1-CG2 4.44Å; V121-L269 HydrophobicContact CG1-CD1 3.57Å; V121-L269 HydrophobicContact CG1-CG 3.76Å
122L98.8Very high96.3Very high0 Ų036.3 Ų36.30%018%0.181CC..EExtended strand (participates in β ladder)trans-103.1124.1175.6-173.464.2000111.2I233 M235 I256 T259 A260 V265 T267 L268 L269L122-I233 HydrophobicContact CD1-CB 3.62Å; L122-I233 HydrophobicContact CD1-CD1 4.48Å; L122-I233 HydrophobicContact CD1-CG2 3.36Å; L122-M235 HydrophobicContact CD1-CG 3.51Å; L122-M235 HydrophobicContact CD1-SD 3.86Å; L122-M235 HydrophobicContact CD2-CG 4.36Å; L122-M235 HydrophobicContact CG-CG 4.01Å; L122-I256 HydrophobicContact CD2-CG2 4.07Å; L122-T259 HydrophobicContact CD1-CG2 3.8Å; L122-A260 HydrophobicContact CD2-CB 3.97Å; L122-V265 HydrophobicContact CB-CB 4.38Å; L122-V265 HydrophobicContact CB-CG1 4Å; L122-T267 PolarHBondContact N-O 2.85Å; L122-L268 HydrophobicContact CB-CG 4.31Å; L122-L268 HydrophobicContact CD2-CD1 4.02Å; L122-L268 HydrophobicContact CD2-CG 4.37Å; L122-L268 CarbonylContact O-C 3.59Å; L122-L268 WeakPolarHBondContact O-CA 3.46Å; L122-L269 PolarHBondContact O-N 3.49Å
123V98.7Very high96.2Very high0 Ų035.6 Ų35.60%018%0.177CC..EExtended strand (participates in β ladder)trans-104.6119.7176.4-172.60000109.5K131 L134 C135 I233 M235 L269 I271V123-K131 HydrophobicContact CG1-CB 3.87Å; V123-K131 HydrophobicContact CG1-CD 4.45Å; V123-K131 HydrophobicContact CG1-CG 3.99Å; V123-L134 HydrophobicContact CG1-CD2 3.97Å; V123-L134 HydrophobicContact CG2-CD2 4.24Å; V123-C135 VanDerWaalsContact CG2-SG 3.53Å; V123-I233 PolarHBondContact N-O 2.92Å; V123-M235 WeakPolarHBondContact O-CB 3.25Å; V123-M235 PolarHBondContact O-N 3.17Å; V123-L269 WeakPolarHBondContact CA-O 3.49Å; V123-L269 HydrophobicContact CG2-CB 4.3Å; V123-L269 HydrophobicContact CG2-CD1 4.18Å; V123-I271 HydrophobicContact CG1-CD1 4.07Å; V123-I271 HydrophobicContact CG1-CG1 4.34Å
124C97.6Very high96.1Very high0 Ų026.8 Ų26.80%014%0.139CC..EExtended strand (participates in β ladder)trans-139.1170.9-177.674.60000113.1M235 I256 L268 L269 I271C124-M235 HydrophobicContact CB-CB 4.02Å; C124-M235 HydrophobicContact CB-CG 3.95Å; C124-I256 HydrophobicContact CB-CD1 3.79Å; C124-I256 HydrophobicContact CB-CG1 4.05Å; C124-L268 WeakPolarHBondContact SG-CD2 3.44Å; C124-L269 PolarHBondContact N-O 3.04Å; C124-I271 PolarHBondContact O-N 3.11Å
125G95Very high96.2Very high0 Ų021.6 Ų21.60%012%0.115CC..  trans136-176.7-173.900000111.9K131 G237G125-K131 PolarHBondContact O-NZ 3.19Å; G125-G237 WeakPolarHBondContact O-CA 3.31Å
126Q92.8Very high96.3Very high34 Ų3417.9 Ų17.916%0.15910%0.096CC..SBendtrans-59.3165.1-175-67.9174.715.600113.7V129 K131 F238Q126-V129 HydrophobicContact CB-CG1 3.88Å; Q126-V129 VanDerWaalsContact O-CG2 3.25Å; Q126-V129 WeakPolarHBondContact O-CG2 3.35Å; Q126-K131 PolarHBondContact O-NZ 3.28Å; Q126-F238 WeakPolarHBondContact CA-O 3.41Å; Q126-F238 HydrophobicContact CB-CE2 4.36Å; Q126-F238 HydrophobicContact CG-CD2 3.87Å; Q126-F238 HydrophobicContact CG-CE2 3.35Å; Q126-F238 HydrophobicContact CG-CZ 3.98Å
127E91.7Very high96.3Very high66 Ų6616.4 Ų16.431%0.3089%0.085SC..THydrogen-bonded Turntrans-54.9143.9168.8-76.3-177.8-175.300112.8V129 F238 W307E127-V129 VanDerWaalsContact C-N 3.33Å; E127-V129 PolarHBondContact O-N 2.61Å; E127-F238 PolarHBondContact N-O 2.79Å; E127-W307 HydrophobicContact CB-CZ2 4.04Å; E127-W307 HydrophobicContact CG-CH2 4.45Å; E127-W307 HydrophobicContact CG-CZ2 4.12Å
128S90.8Very high96.4Very high13 Ų1313 Ų139%0.0917%0.073CC..THydrogen-bonded Turntrans55.839170.4-49.90000115.6A299 I300 R302 W307S128-A299 WeakPolarHBondContact O-CB 3.5Å; S128-I300 VanDerWaalsContact CB-O 3.23Å; S128-I300 WeakPolarHBondContact CB-O 3.3Å; S128-R302 PolarHBondContact OG-NH1 2.83Å; S128-W307 WeakPolarHBondContact OG-CZ2 3.45Å
129V94Very high96.4Very high2 Ų213 Ų131%0.0127%0.072CC..SBendtrans-104.7-0.4175.7-57.20000114.7Q126 E127 K131 I271 K295Q126-V129 HydrophobicContact CB-CG1 3.88Å; Q126-V129 VanDerWaalsContact O-CG2 3.25Å; Q126-V129 WeakPolarHBondContact O-CG2 3.35Å; E127-V129 VanDerWaalsContact C-N 3.33Å; E127-V129 PolarHBondContact O-N 2.61Å; V129-K131 HydrophobicContact CG2-CD 4.5Å; V129-K131 HydrophobicContact CG2-CG 3.82Å; V129-I271 HydrophobicContact CB-CB 4.34Å; V129-I271 HydrophobicContact CB-CG2 3.77Å; V129-I271 HydrophobicContact CG2-CB 3.7Å; V129-I271 HydrophobicContact CG2-CD1 4.18Å; V129-I271 HydrophobicContact CG2-CG1 4.44Å; V129-I271 HydrophobicContact CG2-CG2 3.68Å; V129-K295 HydrophobicContact CB-CD 4.2Å; V129-K295 HydrophobicContact CB-CG 4.38Å; V129-K295 HydrophobicContact CG1-CD 4.06Å
130G94.1Very high96.4Very high14 Ų1412.7 Ų12.714%0.1447%0.07CC..SBendtrans103.710.9176.600000116.2S132 T133 L134G130-S132 PolarHBondContact O-N 3.43Å; G130-T133 WeakPolarHBondContact O-CB 3.37Å; G130-T133 PolarHBondContact O-N 2.8Å; G130-L134 PolarHBondContact O-N 3.46Å
131K96.6Very high96.4Very high14 Ų1413 Ų136%0.0617%0.072CC..Hα-helixtrans-52.5-55.6-179.9-56.7-169.5-64.7-83.60113.4V123 G125 Q126 V129 T133 L134 C135 N234 M235 I271V123-K131 HydrophobicContact CG1-CB 3.87Å; V123-K131 HydrophobicContact CG1-CD 4.45Å; V123-K131 HydrophobicContact CG1-CG 3.99Å; G125-K131 PolarHBondContact O-NZ 3.19Å; Q126-K131 PolarHBondContact O-NZ 3.28Å; V129-K131 HydrophobicContact CG2-CD 4.5Å; V129-K131 HydrophobicContact CG2-CG 3.82Å; K131-T133 VanDerWaalsContact C-N 3.28Å; K131-T133 PolarHBondContact O-N 3.26Å; K131-L134 WeakPolarHBondContact O-CB 3.5Å; K131-L134 PolarHBondContact O-N 3.12Å; K131-L134 VanDerWaalsContact O-N 3.11Å; K131-C135 PolarHBondContact O-N 3.43Å; K131-C135 PolarHBondContact O-SG 3.11Å; K131-C135 VanDerWaalsContact O-SG 3.35Å; K131-N234 VanDerWaalsContact CB-OD1 3.3Å; K131-N234 WeakPolarHBondContact CB-OD1 3.41Å; K131-M235 WeakPolarHBondContact CE-O 3.44Å; K131-I271 HydrophobicContact CB-CD1 4.42Å; K131-I271 HydrophobicContact CG-CD1 3.85Å
132S96Very high96.4Very high29 Ų2913 Ų1320%0.2037%0.071CC..Hα-helixtrans-60.7-37.2179.2-51.30000112.4G130 C135 R136 Q160 N234G130-S132 PolarHBondContact O-N 3.43Å; S132-C135 PolarHBondContact O-N 2.89Å; S132-R136 VanDerWaalsContact O-CB 3.25Å; S132-R136 WeakPolarHBondContact O-CB 3.23Å; S132-R136 PolarHBondContact O-N 3.43Å; S132-Q160 PolarHBondContact O-OE1 2.87Å; S132-N234 PolarHBondContact OG-ND2 3.43Å; S132-N234 VanDerWaalsContact OG-ND2 3.12Å
133T95.6Very high96.3Very high50 Ų5013.4 Ų13.431%0.3078%0.075SC..Hα-helixtrans-62.4-44.7175-58.20000111.5F45 G130 K131 T137F45-T133 HydrophobicContact CD1-CG2 3.81Å; F45-T133 HydrophobicContact CE1-CG2 3.86Å; G130-T133 WeakPolarHBondContact O-CB 3.37Å; G130-T133 PolarHBondContact O-N 2.8Å; K131-T133 VanDerWaalsContact C-N 3.28Å; K131-T133 PolarHBondContact O-N 3.26Å; T133-T137 WeakPolarHBondContact O-CB 3.43Å; T133-T137 PolarHBondContact O-N 3.47Å; T133-T137 PolarHBondContact O-OG1 3.24Å
134L97.4Very high96.2Very high0 Ų018.7 Ų18.70%010%0.095CC..Hα-helixtrans-62.8-50.4175.7173.960000111Y97 I100 V123 G130 K131 R136 T137 L138 L269 I271 L293Y97-L134 HydrophobicContact CD1-CD1 3.53Å; Y97-L134 HydrophobicContact CD2-CD1 4.26Å; Y97-L134 HydrophobicContact CE1-CB 4.38Å; Y97-L134 HydrophobicContact CE1-CD1 3.66Å; Y97-L134 HydrophobicContact CE1-CG 4.42Å; Y97-L134 HydrophobicContact CE2-CD1 4.37Å; Y97-L134 HydrophobicContact CG-CD1 3.86Å; I100-L134 HydrophobicContact CD1-CD1 4.42Å; V123-L134 HydrophobicContact CG1-CD2 3.97Å; V123-L134 HydrophobicContact CG2-CD2 4.24Å; G130-L134 PolarHBondContact O-N 3.46Å; K131-L134 WeakPolarHBondContact O-CB 3.5Å; K131-L134 PolarHBondContact O-N 3.12Å; K131-L134 VanDerWaalsContact O-N 3.11Å; L134-R136 VanDerWaalsContact C-N 3.33Å; L134-R136 PolarHBondContact O-N 3.35Å; L134-T137 PolarHBondContact O-N 3.22Å; L134-L138 HydrophobicContact CD1-CD1 3.73Å; L134-L138 HydrophobicContact CD1-CD2 4.3Å; L134-L138 HydrophobicContact CD1-CG 3.77Å; L134-L138 HydrophobicContact CG-CD1 3.94Å; L134-L138 HydrophobicContact CG-CG 4.35Å; L134-L138 WeakPolarHBondContact O-CG 3.4Å; L134-L138 PolarHBondContact O-N 3.33Å; L134-L269 HydrophobicContact CD2-CD1 4.14Å; L134-I271 HydrophobicContact CD2-CD1 4.37Å; L134-L293 HydrophobicContact CD2-CD1 3.67Å
135C98.5Very high96.2Very high0 Ų025 Ų250%012%0.118CC..Hα-helixtrans-57.2-45.8178.7-65.80000111.9V123 K131 S132 T137 L138 A139 L151 I232 N234V123-C135 VanDerWaalsContact CG2-SG 3.53Å; K131-C135 PolarHBondContact O-N 3.43Å; K131-C135 PolarHBondContact O-SG 3.11Å; K131-C135 VanDerWaalsContact O-SG 3.35Å; S132-C135 PolarHBondContact O-N 2.89Å; C135-T137 PolarHBondContact O-N 3.32Å; C135-L138 PolarHBondContact O-N 2.78Å; C135-A139 VanDerWaalsContact O-CB 3.3Å; C135-A139 WeakPolarHBondContact O-CB 3.34Å; C135-A139 PolarHBondContact O-N 3.37Å; C135-L151 HydrophobicContact CB-CD1 4.03Å; C135-I232 HydrophobicContact CB-CG2 3.81Å; C135-N234 HydrophobicContact CB-CB 4.33Å
136R97.6Very high96.3Very high31 Ų3134 Ų3412%0.11716%0.157CC..Hα-helixtrans-60.1-46.6176.8-174.5-179.2-55.3124.714.5111.9F45 S132 L134 A139 S140 Y176 W182F45-R136 HydrophobicContact CB-CG 3.84Å; F45-R136 HydrophobicContact CG-CG 4.41Å; S132-R136 VanDerWaalsContact O-CB 3.25Å; S132-R136 WeakPolarHBondContact O-CB 3.23Å; S132-R136 PolarHBondContact O-N 3.43Å; L134-R136 VanDerWaalsContact C-N 3.33Å; L134-R136 PolarHBondContact O-N 3.35Å; R136-A139 PolarHBondContact O-N 3.14Å; R136-S140 WeakPolarHBondContact O-CB 3.38Å; R136-S140 PolarHBondContact O-N 3.07Å; R136-S140 PolarHBondContact O-OG 2.92Å; R136-S140 VanDerWaalsContact O-OG 3.13Å; R136-Y176 HydrophobicContact CG-CD1 4.35Å; R136-Y176 HydrophobicContact CG-CD2 4.1Å; R136-Y176 HydrophobicContact CG-CG 3.84Å; R136-W182 HydrophobicContact CB-CH2 4.16Å; R136-W182 HydrophobicContact CB-CZ2 3.88Å; R136-W182 HydrophobicContact CG-CH2 3.65Å; R136-W182 HydrophobicContact CG-CZ2 3.53Å
137T97.8Very high96.5Very high7 Ų733.4 Ų33.44%0.04316%0.155CC..Hα-helixtrans-63.1-46.7179.7-54.80000111.6F45 Y97 T133 L134 C135 A139 S140 Y141F45-T137 WeakPolarHBondContact O-CA 3.45Å; Y97-T137 HydrophobicContact CD2-CG2 4.23Å; T133-T137 WeakPolarHBondContact O-CB 3.43Å; T133-T137 PolarHBondContact O-N 3.47Å; T133-T137 PolarHBondContact O-OG1 3.24Å; L134-T137 PolarHBondContact O-N 3.22Å; C135-T137 PolarHBondContact O-N 3.32Å; T137-A139 VanDerWaalsContact C-N 3.35Å; T137-A139 PolarHBondContact O-N 3.44Å; T137-S140 PolarHBondContact O-N 3.36Å; T137-Y141 HydrophobicContact CG2-CD2 4.05Å; T137-Y141 HydrophobicContact CG2-CE1 4.14Å; T137-Y141 HydrophobicContact CG2-CE2 3.51Å; T137-Y141 VanDerWaalsContact O-CG 3.3Å; T137-Y141 PolarHBondContact O-N 2.78Å
138L98.6Very high96.8Very high0 Ų033 Ų330%015%0.152CC..Hα-helixtrans-63.9-38.9178.4-68.5177.7000112.4I100 H101 L104 L134 C135 A142 I232 L269I100-L138 HydrophobicContact CB-CD2 4.31Å; I100-L138 HydrophobicContact CG2-CD1 3.92Å; I100-L138 HydrophobicContact CG2-CD2 3.88Å; H101-L138 HydrophobicContact CB-CD2 3.88Å; L104-L138 HydrophobicContact CD1-CD1 4.35Å; L134-L138 HydrophobicContact CD1-CD1 3.73Å; L134-L138 HydrophobicContact CD1-CD2 4.3Å; L134-L138 HydrophobicContact CD1-CG 3.77Å; L134-L138 HydrophobicContact CG-CD1 3.94Å; L134-L138 HydrophobicContact CG-CG 4.35Å; L134-L138 WeakPolarHBondContact O-CG 3.4Å; L134-L138 PolarHBondContact O-N 3.33Å; C135-L138 PolarHBondContact O-N 2.78Å; L138-A142 WeakPolarHBondContact O-CB 3.25Å; L138-A142 PolarHBondContact O-N 3.38Å; L138-I232 HydrophobicContact CB-CD1 3.85Å; L138-L269 HydrophobicContact CD1-CD1 4.47Å
139A98.3Very high97.1Very high0 Ų032.4 Ų32.40%015%0.148CC..Hα-helixtrans-67-44.8176.600000111.3C135 R136 T137 Y141 A142 A143 V172 W182 I232C135-A139 VanDerWaalsContact O-CB 3.3Å; C135-A139 WeakPolarHBondContact O-CB 3.34Å; C135-A139 PolarHBondContact O-N 3.37Å; R136-A139 PolarHBondContact O-N 3.14Å; T137-A139 VanDerWaalsContact C-N 3.35Å; T137-A139 PolarHBondContact O-N 3.44Å; A139-Y141 PolarHBondContact O-N 3.04Å; A139-A142 PolarHBondContact O-N 3.14Å; A139-A143 PolarHBondContact O-N 3.15Å; A139-V172 HydrophobicContact CB-CB 4.46Å; A139-V172 HydrophobicContact CB-CG1 4.22Å; A139-V172 HydrophobicContact CB-CG2 4.24Å; A139-W182 HydrophobicContact CB-CH2 3.83Å; A139-W182 HydrophobicContact CB-CZ3 4.3Å; A139-I232 HydrophobicContact CB-CD1 3.91Å
140S98.1Very high97.3Very high0 Ų032.6 Ų32.60%015%0.148CC..Hα-helixtrans-59.4-43.9173.9-67.50000112.4F45 R136 T137 A143 R144 Y176F45-S140 VanDerWaalsContact O-CB 3.3Å; F45-S140 WeakPolarHBondContact O-CB 3.36Å; F45-S140 PolarHBondContact O-OG 3.32Å; F45-S140 VanDerWaalsContact O-OG 3.04Å; R136-S140 WeakPolarHBondContact O-CB 3.38Å; R136-S140 PolarHBondContact O-N 3.07Å; R136-S140 PolarHBondContact O-OG 2.92Å; R136-S140 VanDerWaalsContact O-OG 3.13Å; T137-S140 PolarHBondContact O-N 3.36Å; S140-A143 PolarHBondContact O-N 2.89Å; S140-R144 WeakPolarHBondContact O-CG 3.31Å; S140-R144 PolarHBondContact O-N 2.82Å; S140-Y176 PolarHBondContact OG-N 2.93Å; S140-Y176 VanDerWaalsContact OG-N 3.12Å
141Y98.5Very high97.5Very high13 Ų1331.9 Ų31.95%0.05114%0.142CC..Hα-helixtrans-63.5-42.2176.6-68.8-21.4000112.6E43 G46 M98 H101 T137 A139 A143 R144 R145E43-Y141 VanDerWaalsContact OE1-CE1 3.25Å; E43-Y141 WeakPolarHBondContact OE1-CE1 3.26Å; E43-Y141 VanDerWaalsContact OE1-CZ 3.29Å; E43-Y141 PolarHBondContact OE1-OH 3.24Å; G46-Y141 VanDerWaalsContact CA-CE1 3.43Å; M98-Y141 HydrophobicContact SD-CD2 4.44Å; M98-Y141 HydrophobicContact SD-CE2 3.66Å; H101-Y141 HydrophobicContact CB-CD2 3.83Å; H101-Y141 VanDerWaalsContact CE1-C 3.44Å; H101-Y141 WeakPolarHBondContact CE1-CB 3.5Å; H101-Y141 AromaticContact CG-CD2 3.78Å; H101-Y141 VanDerWaalsContact ND1-CB 3.34Å; H101-Y141 WeakPolarHBondContact ND1-CB 3.41Å; T137-Y141 HydrophobicContact CG2-CD2 4.05Å; T137-Y141 HydrophobicContact CG2-CE1 4.14Å; T137-Y141 HydrophobicContact CG2-CE2 3.51Å; T137-Y141 VanDerWaalsContact O-CG 3.3Å; T137-Y141 PolarHBondContact O-N 2.78Å; A139-Y141 PolarHBondContact O-N 3.04Å; Y141-A143 PolarHBondContact O-N 3.38Å; Y141-R144 WeakPolarHBondContact O-CB 3.36Å; Y141-R144 PolarHBondContact O-N 2.99Å; Y141-R145 WeakPolarHBondContact O-CG 3.44Å; Y141-R145 PolarHBondContact O-N 3.25Å; Y141-R145 VanDerWaalsContact O-N 3.1Å
142A98.3Very high97.6Very high0 Ų031.2 Ų31.20%014%0.139CC..Hα-helixtrans-61.6-42.9175.200000111.8L138 A139 R144 R145 K146 H147 P149L138-A142 WeakPolarHBondContact O-CB 3.25Å; L138-A142 PolarHBondContact O-N 3.38Å; A139-A142 PolarHBondContact O-N 3.14Å; A142-R144 PolarHBondContact O-N 3.44Å; A142-R145 CarbonylContact O-C 3.5Å; A142-R145 WeakPolarHBondContact O-CA 3.37Å; A142-R145 WeakPolarHBondContact O-CB 3.36Å; A142-R145 PolarHBondContact O-N 3.29Å; A142-K146 PolarHBondContact O-N 3.45Å; A142-H147 HydrophobicContact CB-CB 4.25Å; A142-H147 WeakPolarHBondContact O-CB 3.45Å; A142-H147 PolarHBondContact O-N 3.33Å; A142-P149 HydrophobicContact CB-CG 3.64Å
143A97.1Very high97.7Very high9 Ų929.9 Ų29.97%0.07413%0.129CC..Hα-helixtrans-61.9-40.3174.700000112.6A139 S140 Y141 R145 K146 V172A139-A143 PolarHBondContact O-N 3.15Å; S140-A143 PolarHBondContact O-N 2.89Å; Y141-A143 PolarHBondContact O-N 3.38Å; A143-R145 PolarHBondContact O-N 3.35Å; A143-K146 WeakPolarHBondContact O-CA 3.28Å; A143-K146 PolarHBondContact O-N 3.3Å; A143-V172 HydrophobicContact CB-CG1 4.22Å
144R97Very high97.8Very high110 Ų11027.5 Ų27.542%0.41511%0.114SC..Hα-helixtrans-60.5-30.5172.9-72.117266.5-172.52.7112.7E43 G46 S140 Y141 A142 K146 P175E43-R144 IonicContact OE2-CZ 3.56Å; E43-R144 IonicContact OE2-NH1 3.95Å; E43-R144 PolarHBondContact OE2-NH1 3.35Å; G46-R144 VanDerWaalsContact O-CD 3.23Å; G46-R144 WeakPolarHBondContact O-CD 3.25Å; G46-R144 PolarHBondContact O-NH1 3.25Å; S140-R144 WeakPolarHBondContact O-CG 3.31Å; S140-R144 PolarHBondContact O-N 2.82Å; Y141-R144 WeakPolarHBondContact O-CB 3.36Å; Y141-R144 PolarHBondContact O-N 2.99Å; A142-R144 PolarHBondContact O-N 3.44Å; R144-K146 PolarHBondContact O-N 3.12Å; R144-P175 HydrophobicContact CG-CG 3.74Å
145R97.3Very high97.8Very high133 Ų13328.2 Ų28.250%0.50212%0.119SC..THydrogen-bonded Turntrans-84.48.7174.1-64.1-64.3-61.2153.91.9113.4E105 Y141 A142 A143 H147E105-R145 IonicContact OE1-CZ 3.9Å; E105-R145 IonicContact OE1-NE 3.47Å; E105-R145 PolarHBondContact OE1-NE 2.79Å; E105-R145 IonicContact OE1-NH2 3.79Å; E105-R145 PolarHBondContact OE1-NH2 2.86Å; Y141-R145 WeakPolarHBondContact O-CG 3.44Å; Y141-R145 PolarHBondContact O-N 3.25Å; Y141-R145 VanDerWaalsContact O-N 3.1Å; A142-R145 CarbonylContact O-C 3.5Å; A142-R145 WeakPolarHBondContact O-CA 3.37Å; A142-R145 WeakPolarHBondContact O-CB 3.36Å; A142-R145 PolarHBondContact O-N 3.29Å; A143-R145 PolarHBondContact O-N 3.35Å; R145-H147 PolarHBondContact O-N 3.11Å
146K96.7Very high97.7Very high188 Ų18828.2 Ų28.282%0.81712%0.119SC*.THydrogen-bonded Turntrans64.321.5-179.7-51.6179.9178.9-178.70114.1A142 A143 R144A142-K146 PolarHBondContact O-N 3.45Å; A143-K146 WeakPolarHBondContact O-CA 3.28Å; A143-K146 PolarHBondContact O-N 3.3Å; R144-K146 PolarHBondContact O-N 3.12Å
147H97.4Very high97.5Very high22 Ų2227 Ų2710%0.10212%0.115CC..  trans-83.6164.4166.3-63.9-65.4000110.2E105 A142 R145 S229E105-H147 IonicContact OE1-NE2 3.44Å; E105-H147 IonicContact OE2-CD2 2.74Å; E105-H147 PolarHBondContact OE2-CD2 3.01Å; E105-H147 IonicContact OE2-CE1 3.59Å; E105-H147 IonicContact OE2-NE2 3.79Å; E105-H147 PolarHBondContact OE2-NE2 2.98Å; A142-H147 HydrophobicContact CB-CB 4.25Å; A142-H147 WeakPolarHBondContact O-CB 3.45Å; A142-H147 PolarHBondContact O-N 3.33Å; R145-H147 PolarHBondContact O-N 3.11Å; H147-S229 WeakPolarHBondContact CB-OG 3.31Å
148K96.4Very high97.3Very high59 Ų5927.6 Ų27.626%0.25712%0.118SC..  trans-126.963.2178.5-60.7-171.9179.8-171.30110.9V172 T173 I226 S229K148-V172 WeakPolarHBondContact CA-O 3.45Å; K148-T173 HydrophobicContact CD-CG2 4.01Å; K148-T173 HydrophobicContact CG-CG2 4.11Å; K148-I226 HydrophobicContact CB-CG1 4.18Å; K148-S229 PolarHBondContact N-OG 3.46Å; K148-S229 WeakPolarHBondContact O-CB 3.4Å
149P97.6Very high97.2Very high0 Ų027.6 Ų27.60%012%0.118CC..  trans-65.4148-179.831.9-38.3000110.4A142 L151 V172 G230 I232A142-P149 HydrophobicContact CB-CG 3.64Å; P149-L151 PolarHBondContact O-N 3.15Å; P149-V172 HydrophobicContact CG-CB 4.38Å; P149-V172 PolarHBondContact O-N 2.9Å; P149-G230 WeakPolarHBondContact CA-O 3.47Å; P149-I232 HydrophobicContact CB-CD1 4.24Å; P149-I232 HydrophobicContact CG-CD1 4.32Å
150I97.9Very high97Very high5 Ų528.2 Ų28.23%0.02612%0.121CC..EExtended strand (participates in β ladder)trans-82.1117.1167.6-62.5172000108V152 A169 I170 I216 I226 G230 C231 I232I150-V152 HydrophobicContact CG2-CG2 3.81Å; I150-A169 HydrophobicContact CG2-CB 3.89Å; I150-I170 WeakPolarHBondContact CA-O 3.39Å; I150-I216 HydrophobicContact CD1-CB 4.37Å; I150-I216 HydrophobicContact CD1-CG1 4.28Å; I150-I216 HydrophobicContact CD1-CG2 3.57Å; I150-I216 HydrophobicContact CG2-CD1 4Å; I150-I216 HydrophobicContact CG2-CG1 4.33Å; I150-I226 HydrophobicContact CD1-CG2 3.43Å; I150-I226 VanDerWaalsContact CD1-CG2 3.43Å; I150-I226 HydrophobicContact CG1-CG2 3.74Å; I150-G230 PolarHBondContact N-O 2.93Å; I150-C231 CarbonylContact O-C 3.59Å; I150-C231 WeakPolarHBondContact O-CA 3.41Å; I150-I232 PolarHBondContact O-N 3.46Å
151L98.4Very high96.8Very high0 Ų028.8 Ų28.80%013%0.125CC..EExtended strand (participates in β ladder)trans-83.3113.2167.4176.964.8000108.1C135 P149 Q160 V161 A169 I170 V172 W182 I232C135-L151 HydrophobicContact CB-CD1 4.03Å; P149-L151 PolarHBondContact O-N 3.15Å; L151-Q160 HydrophobicContact CD2-CG 4.46Å; L151-V161 HydrophobicContact CD2-CG2 3.87Å; L151-V161 HydrophobicContact CG-CG2 4.05Å; L151-A169 CarbonylContact O-C 3.51Å; L151-A169 VanDerWaalsContact O-CA 3.26Å; L151-A169 WeakPolarHBondContact O-CA 3.4Å; L151-I170 HydrophobicContact CB-CG2 4.25Å; L151-I170 PolarHBondContact N-O 2.74Å; L151-I170 PolarHBondContact O-N 2.82Å; L151-V172 HydrophobicContact CB-CG2 3.62Å; L151-V172 HydrophobicContact CD2-CG2 4.41Å; L151-W182 HydrophobicContact CD2-CD2 4.13Å; L151-W182 HydrophobicContact CD2-CH2 4.05Å; L151-W182 HydrophobicContact CD2-CZ2 3.3Å; L151-I232 WeakPolarHBondContact CA-O 3.35Å; L151-I232 HydrophobicContact CD1-CB 4.36Å; L151-I232 HydrophobicContact CD1-CG2 4.18Å
152V98.6Very high96.6Very high0 Ų028.9 Ų28.90%013%0.127CC..EExtended strand (participates in β ladder)trans-102.3128.1174.2178.40000108.2I150 V154 A169 L212 I216 I232 I233 N234 F263I150-V152 HydrophobicContact CG2-CG2 3.81Å; V152-V154 HydrophobicContact CG1-CG1 3.99Å; V152-A169 HydrophobicContact CG2-CB 4.06Å; V152-L212 HydrophobicContact CG1-CD2 3.76Å; V152-I216 HydrophobicContact CG2-CD1 3.62Å; V152-I232 PolarHBondContact N-O 2.9Å; V152-I233 HydrophobicContact CB-CB 4.25Å; V152-I233 HydrophobicContact CB-CG1 3.95Å; V152-I233 HydrophobicContact CB-CG2 4.06Å; V152-I233 HydrophobicContact CG1-CG1 4.5Å; V152-I233 HydrophobicContact CG1-CG2 3.91Å; V152-I233 HydrophobicContact CG2-CG1 4.25Å; V152-I233 CarbonylContact O-C 3.56Å; V152-I233 VanDerWaalsContact O-CA 3.32Å; V152-I233 WeakPolarHBondContact O-CA 3.3Å; V152-N234 PolarHBondContact O-N 3.27Å; V152-F263 HydrophobicContact CB-CZ 4.44Å; V152-F263 HydrophobicContact CG1-CE1 4.47Å; V152-F263 HydrophobicContact CG1-CE2 4.19Å; V152-F263 HydrophobicContact CG1-CZ 3.79Å; V152-F263 HydrophobicContact CG2-CE1 3.83Å; V152-F263 HydrophobicContact CG2-CZ 3.96Å
153D98.5Very high96.5Very high0 Ų028.9 Ų28.90%013%0.127CC..EExtended strand (participates in β ladder)trans-122.3107.4174-158.2-15000110N155 N159 Q160 V161 A168 N234D153-N155 WeakPolarHBondContact OD1-CB 3.3Å; D153-N155 PolarHBondContact OD1-N 3.21Å; D153-N159 PolarHBondContact O-ND2 2.9Å; D153-Q160 WeakPolarHBondContact OD2-CB 3.48Å; D153-Q160 WeakPolarHBondContact OD2-CG 3.35Å; D153-Q160 PolarHBondContact OD2-N 2.95Å; D153-Q160 PolarHBondContact OD2-NE2 3.44Å; D153-V161 HydrophobicContact CB-CG2 4.02Å; D153-A168 PolarHBondContact N-O 3.38Å; D153-A168 PolarHBondContact O-N 3.45Å; D153-N234 PolarHBondContact OD1-ND2 3.3Å; D153-N234 PolarHBondContact OD2-ND2 2.99Å
154V97.9Very high96.5Very high0 Ų028.5 Ų28.50%012%0.124CC..EExtended strand (participates in β ladder)trans-102.616.7174.2-60.50000110.9V152 V156 I167 F205 V209 I233 N234 M235 S236 T259V152-V154 HydrophobicContact CG1-CG1 3.99Å; V154-V156 VanDerWaalsContact C-N 3.35Å; V154-V156 PolarHBondContact O-N 2.99Å; V154-V156 VanDerWaalsContact O-N 3.09Å; V154-I167 HydrophobicContact CG1-CG2 3.84Å; V154-F205 HydrophobicContact CB-CE2 4.37Å; V154-F205 HydrophobicContact CB-CZ 4.17Å; V154-F205 HydrophobicContact CG2-CZ 4.46Å; V154-V209 HydrophobicContact CG1-CG2 4.06Å; V154-I233 HydrophobicContact CG2-CG2 4.45Å; V154-N234 VanDerWaalsContact CG2-O 3.25Å; V154-N234 WeakPolarHBondContact CG2-O 3.24Å; V154-N234 PolarHBondContact N-O 3.05Å; V154-M235 HydrophobicContact CG2-CE 4.26Å; V154-M235 HydrophobicContact CG2-CG 4.46Å; V154-M235 HydrophobicContact CG2-SD 3.35Å; V154-M235 WeakPolarHBondContact CG2-SD 3.36Å; V154-S236 PolarHBondContact O-OG 3.31Å; V154-T259 HydrophobicContact CG2-CG2 4.27Å
155N97Very high96.5Very high16 Ų1623.2 Ų23.29%0.08610%0.104CC..  trans-77.582.6168.5-175.518.8000111.1D153 G157 L158 N159 N234 S236D153-N155 WeakPolarHBondContact OD1-CB 3.3Å; D153-N155 PolarHBondContact OD1-N 3.21Å; N155-G157 PolarHBondContact O-N 2.83Å; N155-G157 VanDerWaalsContact O-N 3.1Å; N155-G157 PolarHBondContact OD1-N 3.47Å; N155-L158 PolarHBondContact ND2-O 3.12Å; N155-L158 CarbonylContact O-C 3.54Å; N155-L158 VanDerWaalsContact O-C 3.24Å; N155-L158 PolarHBondContact O-N 3.25Å; N155-N159 WeakPolarHBondContact O-CA 3.46Å; N155-N159 PolarHBondContact O-N 2.9Å; N155-N234 PolarHBondContact N-O 3.49Å; N155-S236 WeakPolarHBondContact CA-OG 3.07Å
156V96Very high96.6Very high0 Ų016.9 Ų16.90%08%0.08CC..THydrogen-bonded Turntrans-62.2-19.1179.2-60.80000113V154 A165 I167 F193 P198 F205 S236V154-V156 VanDerWaalsContact C-N 3.35Å; V154-V156 PolarHBondContact O-N 2.99Å; V154-V156 VanDerWaalsContact O-N 3.09Å; V156-A165 WeakPolarHBondContact O-CA 3.49Å; V156-A165 PolarHBondContact O-N 3.28Å; V156-I167 HydrophobicContact CG1-CD1 4.37Å; V156-I167 HydrophobicContact CG1-CG1 3.69Å; V156-F193 HydrophobicContact CB-CD1 4.02Å; V156-F193 HydrophobicContact CG1-CB 3.97Å; V156-F193 HydrophobicContact CG1-CD1 3.76Å; V156-F193 HydrophobicContact CG1-CG 4.06Å; V156-F193 HydrophobicContact CG2-CD1 4.04Å; V156-F193 HydrophobicContact CG2-CE1 4.31Å; V156-P198 VanDerWaalsContact CG2-CD 3.42Å; V156-P198 HydrophobicContact CG2-CG 3.76Å; V156-F205 HydrophobicContact CG1-CE2 4.35Å; V156-S236 PolarHBondContact N-OG 3.22Å
157G94.4Very high96.6Very high5 Ų58 Ų85%0.0524%0.041CC..THydrogen-bonded Turntrans-75.8-34.4178.600000114.6N155 T196 R311N155-G157 PolarHBondContact O-N 2.83Å; N155-G157 VanDerWaalsContact O-N 3.1Å; N155-G157 PolarHBondContact OD1-N 3.47Å; G157-T196 WeakPolarHBondContact CA-O 3.21Å; G157-T196 PolarHBondContact N-O 3.14Å; G157-R311 PolarHBondContact O-NE 3.02Å; G157-R311 VanDerWaalsContact O-NE 3.1Å
158L93.6Very high96.7Very high19 Ų196.9 Ų6.910%0.0994%0.036CC..SBendtrans-156.581.7176.4-79.4-175.7000109N155 P164 W307 Q310 R311N155-L158 PolarHBondContact ND2-O 3.12Å; N155-L158 CarbonylContact O-C 3.54Å; N155-L158 VanDerWaalsContact O-C 3.24Å; N155-L158 PolarHBondContact O-N 3.25Å; L158-P164 HydrophobicContact CD2-CG 4.36Å; L158-W307 HydrophobicContact CB-CZ3 4.12Å; L158-W307 HydrophobicContact CD1-CE3 3.35Å; L158-W307 HydrophobicContact CD1-CH2 4.22Å; L158-W307 HydrophobicContact CD1-CZ3 3.17Å; L158-W307 HydrophobicContact CG-CE3 3.66Å; L158-W307 HydrophobicContact CG-CZ3 3.5Å; L158-W307 VanDerWaalsContact CG-CZ3 3.5Å; L158-Q310 HydrophobicContact CD1-CB 3.99Å; L158-Q310 HydrophobicContact CD2-CB 3.9Å; L158-R311 HydrophobicContact CD2-CB 4.45Å; L158-R311 HydrophobicContact CD2-CG 3.62Å
159N96.2Very high96.7Very high1 Ų14.3 Ų4.31%0.0053%0.026CC..  trans-71.2132.4177.1-163.2-60.4000109.3D153 N155 V161 C162 I163 T166D153-N159 PolarHBondContact O-ND2 2.9Å; N155-N159 WeakPolarHBondContact O-CA 3.46Å; N155-N159 PolarHBondContact O-N 2.9Å; N159-V161 WeakPolarHBondContact OD1-CA 3.3Å; N159-V161 WeakPolarHBondContact OD1-CB 3.35Å; N159-V161 PolarHBondContact OD1-N 2.89Å; N159-C162 PolarHBondContact OD1-N 3.37Å; N159-I163 WeakPolarHBondContact CB-O 3Å; N159-T166 PolarHBondContact ND2-O 3.02Å; N159-T166 PolarHBondContact ND2-OG1 3.45Å
160Q93.2Very high96.7Very high13 Ų134.6 Ų4.66%0.0613%0.027CC..SBendtrans-95.3-11.9-179.886.3-163.8-74.100113.5S132 L151 D153 W182 N234S132-Q160 PolarHBondContact O-OE1 2.87Å; L151-Q160 HydrophobicContact CD2-CG 4.46Å; D153-Q160 WeakPolarHBondContact OD2-CB 3.48Å; D153-Q160 WeakPolarHBondContact OD2-CG 3.35Å; D153-Q160 PolarHBondContact OD2-N 2.95Å; D153-Q160 PolarHBondContact OD2-NE2 3.44Å; Q160-W182 VanDerWaalsContact O-CD1 3.27Å; Q160-W182 PolarHBondContact O-NE1 2.96Å; Q160-N234 PolarHBondContact NE2-ND2 3.14Å
161V94.8Very high96.7Very high12 Ų124.6 Ų4.67%0.0733%0.027CC..SBendtrans-87.9-41.8173.91750000109.6L151 D153 N159 A168 I170 P188L151-V161 HydrophobicContact CD2-CG2 3.87Å; L151-V161 HydrophobicContact CG-CG2 4.05Å; D153-V161 HydrophobicContact CB-CG2 4.02Å; N159-V161 WeakPolarHBondContact OD1-CA 3.3Å; N159-V161 WeakPolarHBondContact OD1-CB 3.35Å; N159-V161 PolarHBondContact OD1-N 2.89Å; V161-A168 HydrophobicContact CB-CB 3.94Å; V161-A168 HydrophobicContact CG1-CB 3.86Å; V161-I170 HydrophobicContact CB-CG2 4.49Å; V161-I170 HydrophobicContact CG1-CB 3.9Å; V161-I170 HydrophobicContact CG1-CG2 3.76Å; V161-I170 HydrophobicContact CG2-CG2 3.92Å; V161-P188 HydrophobicContact CG1-CB 4.12Å
162C94.8Very high96.6Very high14 Ų144.8 Ų4.810%0.0953%0.029CC..SBendtrans-127-147.6-179.7-160.60000111N159 A168 V190 R314 F401N159-C162 PolarHBondContact OD1-N 3.37Å; C162-A168 HydrophobicContact CB-CB 4.03Å; C162-V190 HydrophobicContact CB-CG1 4.28Å; C162-V190 HydrophobicContact CB-CG2 4.21Å; C162-R314 PolarHBondContact O-NH2 2.95Å; C162-F401 VanDerWaalsContact SG-CE2 3.59Å
163I95.8Very high96.4Very high1 Ų16.5 Ų6.51%0.0054%0.039CC..  trans-96.4165.3178.664.2174.3000111.3N159 T166 Y318 L381 F401N159-I163 WeakPolarHBondContact CB-O 3Å; I163-T166 HydrophobicContact CG1-CG2 3.83Å; I163-T166 WeakPolarHBondContact O-CB 3.39Å; I163-T166 WeakPolarHBondContact O-CG2 3.25Å; I163-T166 PolarHBondContact O-OG1 3.28Å; I163-Y318 HydrophobicContact CG2-CD2 4.09Å; I163-Y318 HydrophobicContact CG2-CG 3.81Å; I163-L381 HydrophobicContact CD1-CD1 4.05Å; I163-L381 HydrophobicContact CD1-CD2 3.53Å; I163-L381 HydrophobicContact CD1-CG 4.29Å; I163-F401 HydrophobicContact CD1-CB 3.8Å; I163-F401 HydrophobicContact CD1-CD1 3.45Å; I163-F401 VanDerWaalsContact CD1-CD1 3.45Å; I163-F401 HydrophobicContact CD1-CD2 3.43Å; I163-F401 VanDerWaalsContact CD1-CD2 3.43Å; I163-F401 HydrophobicContact CD1-CE1 3.79Å; I163-F401 HydrophobicContact CD1-CE2 3.82Å; I163-F401 HydrophobicContact CD1-CG 3.25Å; I163-F401 HydrophobicContact CD1-CZ 3.98Å; I163-F401 HydrophobicContact CG1-CD1 4.35Å; I163-F401 HydrophobicContact CG1-CD2 3.98Å; I163-F401 HydrophobicContact CG1-CE1 4.22Å; I163-F401 HydrophobicContact CG1-CE2 3.89Å; I163-F401 HydrophobicContact CG1-CG 4.23Å; I163-F401 HydrophobicContact CG1-CZ 4.01Å
164P97.2Very high96.3Very high0 Ų011.2 Ų11.20%06%0.06CC..THydrogen-bonded Turntrans-55158.2172.1-23.934.5000112.7L158 T166 T196 R311 R314 I434L158-P164 HydrophobicContact CD2-CG 4.36Å; P164-T166 VanDerWaalsContact C-N 3.31Å; P164-T196 HydrophobicContact CB-CG2 4.42Å; P164-R311 HydrophobicContact CB-CB 4.42Å; P164-R311 HydrophobicContact CB-CG 4.04Å; P164-R311 HydrophobicContact CG-CB 3.75Å; P164-R311 HydrophobicContact CG-CG 3.67Å; P164-R314 HydrophobicContact CG-CB 4.4Å; P164-I434 HydrophobicContact CB-CD1 3.99Å
165A97.1Very high96.3Very high0 Ų013.4 Ų13.40%07%0.074CC..THydrogen-bonded Turntrans68.420.6-173.800000115.7V156 F193 G194 H195 I434V156-A165 WeakPolarHBondContact O-CA 3.49Å; V156-A165 PolarHBondContact O-N 3.28Å; A165-F193 PolarHBondContact O-N 2.91Å; A165-G194 PolarHBondContact O-N 3.46Å; A165-G194 VanDerWaalsContact O-N 3.09Å; A165-H195 VanDerWaalsContact CA-O 3.28Å; A165-H195 WeakPolarHBondContact CA-O 3.4Å; A165-I434 HydrophobicContact CB-CG1 4.29Å
166T98.3Very high96.2Very high0 Ų014.1 Ų14.10%08%0.076CC..EExtended strand (participates in β ladder)trans-125.2153.3-179.469.60000112.9N159 I163 P164 V190 F191 F401N159-T166 PolarHBondContact ND2-O 3.02Å; N159-T166 PolarHBondContact ND2-OG1 3.45Å; I163-T166 HydrophobicContact CG1-CG2 3.83Å; I163-T166 WeakPolarHBondContact O-CB 3.39Å; I163-T166 WeakPolarHBondContact O-CG2 3.25Å; I163-T166 PolarHBondContact O-OG1 3.28Å; P164-T166 VanDerWaalsContact C-N 3.31Å; T166-V190 HydrophobicContact CG2-CG1 3.99Å; T166-F191 VanDerWaalsContact CA-O 3.28Å; T166-F191 WeakPolarHBondContact CA-O 3.4Å; T166-F191 WeakPolarHBondContact CB-O 3.18Å; T166-F401 HydrophobicContact CG2-CE1 3.89Å; T166-F401 HydrophobicContact CG2-CE2 4.23Å; T166-F401 HydrophobicContact CG2-CZ 3.37Å
167I98.4Very high96.1Very high0 Ų017.7 Ų17.70%010%0.095CC..EExtended strand (participates in β ladder)trans-111125165.4-68.5167.5000106.1V154 V156 F191 F193 F205 Q208 V209 L212V154-I167 HydrophobicContact CG1-CG2 3.84Å; V156-I167 HydrophobicContact CG1-CD1 4.37Å; V156-I167 HydrophobicContact CG1-CG1 3.69Å; I167-F191 HydrophobicContact CB-CB 4.49Å; I167-F191 PolarHBondContact N-O 2.92Å; I167-F191 PolarHBondContact O-N 3.45Å; I167-F193 HydrophobicContact CD1-CB 4.49Å; I167-F205 HydrophobicContact CD1-CD2 3.74Å; I167-F205 HydrophobicContact CD1-CE2 3.85Å; I167-F205 HydrophobicContact CG1-CE2 4.32Å; I167-Q208 HydrophobicContact CD1-CB 3.9Å; I167-V209 HydrophobicContact CD1-CG2 4.01Å; I167-L212 HydrophobicContact CG2-CD2 3.52Å
168A98Very high96.1Very high0 Ų019 Ų190%010%0.1CC..EExtended strand (participates in β ladder)trans-141.4153.1-16900000112.7D153 V161 C162 L189 V190D153-A168 PolarHBondContact N-O 3.38Å; D153-A168 PolarHBondContact O-N 3.45Å; V161-A168 HydrophobicContact CB-CB 3.94Å; V161-A168 HydrophobicContact CG1-CB 3.86Å; C162-A168 HydrophobicContact CB-CB 4.03Å; A168-L189 CarbonylContact C-O 3.59Å; A168-L189 VanDerWaalsContact CA-O 3.28Å; A168-L189 WeakPolarHBondContact CA-O 3.3Å; A168-V190 HydrophobicContact CB-CG1 4.4Å; A168-V190 HydrophobicContact CB-CG2 3.99Å
169A98.1Very high95.8Very high5 Ų518.9 Ų18.94%0.04110%0.099CC..EExtended strand (participates in β ladder)trans-139.5146.2170.900000112I150 L151 V152 P188 L189 L212 I216I150-A169 HydrophobicContact CG2-CB 3.89Å; L151-A169 CarbonylContact O-C 3.51Å; L151-A169 VanDerWaalsContact O-CA 3.26Å; L151-A169 WeakPolarHBondContact O-CA 3.4Å; V152-A169 HydrophobicContact CG2-CB 4.06Å; A169-P188 CarbonylContact O-C 3.52Å; A169-P188 VanDerWaalsContact O-CA 3.29Å; A169-P188 WeakPolarHBondContact O-CA 3.34Å; A169-L189 PolarHBondContact N-O 3.36Å; A169-L189 PolarHBondContact O-N 3.49Å; A169-L212 HydrophobicContact CB-CD1 3.88Å; A169-L212 HydrophobicContact CB-CD2 4.27Å; A169-L212 HydrophobicContact CB-CG 4.46Å; A169-I216 HydrophobicContact CB-CD1 3.69Å; A169-I216 HydrophobicContact CB-CG1 4.37Å
170I97.1Very high95.5Very high5 Ų522.1 Ų22.13%0.02612%0.115CC..EExtended strand (participates in β ladder)trans-144.5144176.1-166.5168.8000111I150 L151 V161 V172 S183 L184 P188I150-I170 WeakPolarHBondContact CA-O 3.39Å; L151-I170 HydrophobicContact CB-CG2 4.25Å; L151-I170 PolarHBondContact N-O 2.74Å; L151-I170 PolarHBondContact O-N 2.82Å; V161-I170 HydrophobicContact CB-CG2 4.49Å; V161-I170 HydrophobicContact CG1-CB 3.9Å; V161-I170 HydrophobicContact CG1-CG2 3.76Å; V161-I170 HydrophobicContact CG2-CG2 3.92Å; I170-V172 HydrophobicContact CG2-CG2 4.3Å; I170-S183 VanDerWaalsContact CD1-O 3.3Å; I170-S183 WeakPolarHBondContact CD1-O 3.37Å; I170-L184 HydrophobicContact CD1-CD2 3.72Å; I170-P188 HydrophobicContact CB-CB 4.28Å; I170-P188 HydrophobicContact CD1-CB 4.29Å; I170-P188 HydrophobicContact CG1-CB 4.4Å
171S96.6Very high95.5Very high5 Ų521.5 Ų21.54%0.03511%0.112CC..EExtended strand (participates in β ladder)trans-77122.1170-179.20000109.8
172V96.9Very high95.4Very high4 Ų421.8 Ų21.82%0.02411%0.112CC..  trans-95.8104-177.6-177.80000109.9A139 A143 K148 P149 L151 I170 K174 W182A139-V172 HydrophobicContact CB-CB 4.46Å; A139-V172 HydrophobicContact CB-CG1 4.22Å; A139-V172 HydrophobicContact CB-CG2 4.24Å; A143-V172 HydrophobicContact CB-CG1 4.22Å; K148-V172 WeakPolarHBondContact CA-O 3.45Å; P149-V172 HydrophobicContact CG-CB 4.38Å; P149-V172 PolarHBondContact O-N 2.9Å; L151-V172 HydrophobicContact CB-CG2 3.62Å; L151-V172 HydrophobicContact CD2-CG2 4.41Å; I170-V172 HydrophobicContact CG2-CG2 4.3Å; V172-K174 VanDerWaalsContact CG1-O 3.26Å; V172-K174 WeakPolarHBondContact CG1-O 3.37Å; V172-W182 HydrophobicContact CG1-CE3 3.98Å; V172-W182 HydrophobicContact CG1-CZ3 3.61Å; V172-W182 HydrophobicContact CG2-CE3 4.13Å; V172-W182 HydrophobicContact CG2-CZ3 4.13Å
173T95.6Very high95Very high36 Ų3622.8 Ų22.822%0.22112%0.119CC..  trans-100.6-20.1-178.859.60000113.6K148 E186K148-T173 HydrophobicContact CD-CG2 4.01Å; K148-T173 HydrophobicContact CG-CG2 4.11Å; T173-E186 HydrophobicContact CG2-CG 3.9Å
174K96.2Very high94.3Very high99 Ų9927.8 Ų27.843%0.4315%0.145SC..SBendtrans-130152.7179-66.3171.9-174163.80109.4V172 E185V172-K174 VanDerWaalsContact CG1-O 3.26Å; V172-K174 WeakPolarHBondContact CG1-O 3.37Å; K174-E185 VanDerWaalsContact NZ-CD 3.3Å; K174-E185 IonicContact NZ-OE1 3.04Å; K174-E185 PolarHBondContact NZ-OE1 3.1Å; K174-E185 IonicContact NZ-OE2 3.5Å; K174-E185 PolarHBondContact NZ-OE2 3.28Å; K174-E185 VanDerWaalsContact NZ-OE2 3.12Å
175P96.8Very high93.5Very high46 Ų4633.8 Ų33.830%0.29917%0.173SC..PPolyproline II helixtrans-55.6154.7170.3-23.936000111.7T47 R144 D177T47-P175 HydrophobicContact CG2-CB 4.37Å; T47-P175 WeakPolarHBondContact OG1-CB 3.31Å; R144-P175 HydrophobicContact CG-CG 3.74Å; P175-D177 PolarHBondContact O-N 3.03Å
176Y96Very high92.8Very high31 Ų3136.3 Ų36.312%0.12219%0.185CC..PPolyproline II helixtrans-56.3122.9176.8-177.8-99.6000110.9F45 T47 R136 S140 L178 W182F45-Y176 HydrophobicContact CD2-CD1 4.26Å; F45-Y176 HydrophobicContact CD2-CE1 4.34Å; T47-Y176 WeakPolarHBondContact CB-O 3.5Å; T47-Y176 WeakPolarHBondContact CG2-O 3.35Å; T47-Y176 PolarHBondContact OG1-N 3.05Å; T47-Y176 PolarHBondContact OG1-O 3.38Å; R136-Y176 HydrophobicContact CG-CD1 4.35Å; R136-Y176 HydrophobicContact CG-CD2 4.1Å; R136-Y176 HydrophobicContact CG-CG 3.84Å; S140-Y176 PolarHBondContact OG-N 2.93Å; S140-Y176 VanDerWaalsContact OG-N 3.12Å; Y176-L178 HydrophobicContact CD1-CD2 4.15Å; Y176-W182 AromaticContact CD2-CD2 3.61Å; Y176-W182 HydrophobicContact CD2-CD2 3.61Å; Y176-W182 AromaticContact CD2-CE2 3.57Å; Y176-W182 AromaticContact CD2-CE3 3.92Å; Y176-W182 HydrophobicContact CD2-CE3 3.92Å; Y176-W182 HydrophobicContact CD2-CG 4.05Å; Y176-W182 HydrophobicContact CD2-CH2 4.15Å; Y176-W182 AromaticContact CD2-CZ2 3.88Å; Y176-W182 HydrophobicContact CD2-CZ2 3.88Å; Y176-W182 HydrophobicContact CD2-CZ3 4.17Å; Y176-W182 AromaticContact CD2-NE1 3.95Å; Y176-W182 HydrophobicContact CE2-CD2 4.32Å; Y176-W182 HydrophobicContact CE2-CG 4.34Å; Y176-W182 HydrophobicContact CG-CH2 4.47Å; Y176-W182 HydrophobicContact CG-CZ3 4.47Å
177D94.2Very high92.4Very high75 Ų7542.5 Ų42.540%0.40122%0.218SC..BIsolated β-bridgetrans-75.8128.1175.2-168.7-63.7000109.2P175 M179 E180 G181P175-D177 PolarHBondContact O-N 3.03Å; D177-M179 PolarHBondContact O-N 3.08Å; D177-M179 WeakPolarHBondContact OD1-CA 3.45Å; D177-M179 WeakPolarHBondContact OD1-CB 3.5Å; D177-M179 PolarHBondContact OD1-N 3.13Å; D177-E180 HydrophobicContact CB-CB 4.16Å; D177-E180 PolarHBondContact OD1-N 2.92Å; D177-G181 VanDerWaalsContact CB-O 3.3Å; D177-G181 WeakPolarHBondContact CB-O 3.46Å; D177-G181 PolarHBondContact N-O 3.33Å; D177-G181 VanDerWaalsContact O-CA 3.26Å; D177-G181 WeakPolarHBondContact O-CA 3.41Å; D177-G181 PolarHBondContact O-N 3.28Å
178L92.4Very high92.2Very high33 Ų3344.7 Ų44.717%0.17323%0.232CC..THydrogen-bonded Turntrans-74.3-11.4-175.2-59.6175.4000113.4V44 F45 T47 L49 L55 Y176V44-L178 HydrophobicContact CB-CD1 3.96Å; V44-L178 HydrophobicContact CB-CD2 3.85Å; V44-L178 HydrophobicContact CG1-CD2 3.74Å; V44-L178 HydrophobicContact CG2-CD1 4.42Å; F45-L178 HydrophobicContact CD2-CD2 4.15Å; T47-L178 HydrophobicContact CG2-CD1 4.49Å; T47-L178 HydrophobicContact CG2-CG 4.27Å; L49-L178 HydrophobicContact CD2-CD1 3.53Å; L55-L178 HydrophobicContact CD1-CB 3.62Å; L55-L178 HydrophobicContact CD1-CD1 4.17Å; L55-L178 HydrophobicContact CD2-CD1 4.06Å; Y176-L178 HydrophobicContact CD1-CD2 4.15Å
179M89.2Confident92.2Very high16 Ų1646.9 Ų46.98%0.07924%0.244CC..THydrogen-bonded Turntrans-109.8-38.5177.5-64.9-64.4-59.800112.8W53 L55 Q56 D177 E322 N323 L325W53-M179 HydrophobicContact CH2-CG 3.61Å; W53-M179 HydrophobicContact CH2-SD 4.06Å; W53-M179 HydrophobicContact CZ2-CG 4.26Å; L55-M179 HydrophobicContact CD1-SD 4.2Å; Q56-M179 HydrophobicContact CB-CE 4.1Å; Q56-M179 HydrophobicContact CB-SD 4.1Å; Q56-M179 HydrophobicContact CG-CE 4.33Å; D177-M179 PolarHBondContact O-N 3.08Å; D177-M179 WeakPolarHBondContact OD1-CA 3.45Å; D177-M179 WeakPolarHBondContact OD1-CB 3.5Å; D177-M179 PolarHBondContact OD1-N 3.13Å; M179-E322 CarbonylContact O-C 3.57Å; M179-E322 WeakPolarHBondContact O-CB 3.31Å; M179-N323 VanDerWaalsContact CE-OD1 3.31Å; M179-N323 WeakPolarHBondContact CE-OD1 3.33Å; M179-N323 PolarHBondContact O-N 3.12Å; M179-L325 HydrophobicContact CE-CD1 4.44Å
180E89.2Confident92.2Very high69 Ų6947.2 Ų47.232%0.32225%0.245SC..THydrogen-bonded Turntrans-108.4-14.3-172.6-59.2-71.2178.700113.6D177 N323D177-E180 HydrophobicContact CB-CB 4.16Å; D177-E180 PolarHBondContact OD1-N 2.92Å; E180-N323 HydrophobicContact CG-CB 4.38Å; E180-N323 WeakPolarHBondContact OE1-CB 3.44Å; E180-N323 PolarHBondContact OE1-ND2 2.84Å; E180-N323 WeakPolarHBondContact OE2-CB 3.34Å
181G92.4Very high92.2Very high1 Ų147 Ų471%0.0124%0.244CC..BIsolated β-bridgetrans86.1-140.7179.900000114.7D177 E322D177-G181 VanDerWaalsContact CB-O 3.3Å; D177-G181 WeakPolarHBondContact CB-O 3.46Å; D177-G181 PolarHBondContact N-O 3.33Å; D177-G181 VanDerWaalsContact O-CA 3.26Å; D177-G181 WeakPolarHBondContact O-CA 3.41Å; D177-G181 PolarHBondContact O-N 3.28Å; G181-E322 WeakPolarHBondContact CA-OE2 3.41Å; G181-E322 PolarHBondContact N-OE2 2.81Å
182W93.6Very high92.3Very high17 Ų1746.8 Ų46.86%0.06424%0.243CC..SBendtrans-76.1135.8176.8-64.1113.8000110.8R136 A139 L151 Q160 V172 Y176 L184R136-W182 HydrophobicContact CB-CH2 4.16Å; R136-W182 HydrophobicContact CB-CZ2 3.88Å; R136-W182 HydrophobicContact CG-CH2 3.65Å; R136-W182 HydrophobicContact CG-CZ2 3.53Å; A139-W182 HydrophobicContact CB-CH2 3.83Å; A139-W182 HydrophobicContact CB-CZ3 4.3Å; L151-W182 HydrophobicContact CD2-CD2 4.13Å; L151-W182 HydrophobicContact CD2-CH2 4.05Å; L151-W182 HydrophobicContact CD2-CZ2 3.3Å; Q160-W182 VanDerWaalsContact O-CD1 3.27Å; Q160-W182 PolarHBondContact O-NE1 2.96Å; V172-W182 HydrophobicContact CG1-CE3 3.98Å; V172-W182 HydrophobicContact CG1-CZ3 3.61Å; V172-W182 HydrophobicContact CG2-CE3 4.13Å; V172-W182 HydrophobicContact CG2-CZ3 4.13Å; Y176-W182 AromaticContact CD2-CD2 3.61Å; Y176-W182 HydrophobicContact CD2-CD2 3.61Å; Y176-W182 AromaticContact CD2-CE2 3.57Å; Y176-W182 AromaticContact CD2-CE3 3.92Å; Y176-W182 HydrophobicContact CD2-CE3 3.92Å; Y176-W182 HydrophobicContact CD2-CG 4.05Å; Y176-W182 HydrophobicContact CD2-CH2 4.15Å; Y176-W182 AromaticContact CD2-CZ2 3.88Å; Y176-W182 HydrophobicContact CD2-CZ2 3.88Å; Y176-W182 HydrophobicContact CD2-CZ3 4.17Å; Y176-W182 AromaticContact CD2-NE1 3.95Å; Y176-W182 HydrophobicContact CE2-CD2 4.32Å; Y176-W182 HydrophobicContact CE2-CG 4.34Å; Y176-W182 HydrophobicContact CG-CH2 4.47Å; Y176-W182 HydrophobicContact CG-CZ3 4.47Å; W182-L184 PolarHBondContact O-N 2.95Å
183S85.9Confident92.3Very high36 Ų3646.8 Ų46.825%0.25224%0.242SC..  trans-64.3123.7173.11800000110.5I170 E185I170-S183 VanDerWaalsContact CD1-O 3.3Å; I170-S183 WeakPolarHBondContact CD1-O 3.37Å; S183-E185 VanDerWaalsContact C-N 3.29Å; S183-E185 PolarHBondContact O-N 3.26Å; S183-E185 WeakPolarHBondContact OG-CG 3.47Å
184L81.5Confident92.3Very high106 Ų10645.2 Ų45.256%0.55523%0.233SC*.  trans-90.620.7-179.5-56.3-178.7000113.2I170 W182 E186 P188I170-L184 HydrophobicContact CD1-CD2 3.72Å; W182-L184 PolarHBondContact O-N 2.95Å; L184-E186 PolarHBondContact O-N 3.46Å; L184-P188 HydrophobicContact CD2-CG 4.26Å
185E79.4Confident92.2Very high126 Ų12642.6 Ų42.659%0.58922%0.223SC*.THydrogen-bonded Turntrans-66.1-22-178.9-73.1169.8-161.600113.7K174 S183K174-E185 VanDerWaalsContact NZ-CD 3.3Å; K174-E185 IonicContact NZ-OE1 3.04Å; K174-E185 PolarHBondContact NZ-OE1 3.1Å; K174-E185 IonicContact NZ-OE2 3.5Å; K174-E185 PolarHBondContact NZ-OE2 3.28Å; K174-E185 VanDerWaalsContact NZ-OE2 3.12Å; S183-E185 VanDerWaalsContact C-N 3.29Å; S183-E185 PolarHBondContact O-N 3.26Å; S183-E185 WeakPolarHBondContact OG-CG 3.47Å
186E82.9Confident92.1Very high53 Ų5342.1 Ų42.125%0.24822%0.219CC..THydrogen-bonded Turntrans-104.911.7-174-70-75.5-179.400114.1T173 L184 R219T173-E186 HydrophobicContact CG2-CG 3.9Å; L184-E186 PolarHBondContact O-N 3.46Å; E186-R219 PolarHBondContact O-NH1 2.97Å; E186-R219 IonicContact OE2-CZ 3.57Å; E186-R219 IonicContact OE2-NH2 2.99Å; E186-R219 PolarHBondContact OE2-NH2 2.99Å
187D89.7Confident91.9Very high130 Ų13044 Ų4470%0.69523%0.231SC*.  trans46.5112.9-173.9-70.5-36.6000114.9
188P95.6Very high91.8Very high45 Ų4540.8 Ų40.829%0.29222%0.215SC..  trans-68.1139.4178.128.9-34.1000111.6V161 A169 I170 L184 V190V161-P188 HydrophobicContact CG1-CB 4.12Å; A169-P188 CarbonylContact O-C 3.52Å; A169-P188 VanDerWaalsContact O-CA 3.29Å; A169-P188 WeakPolarHBondContact O-CA 3.34Å; I170-P188 HydrophobicContact CB-CB 4.28Å; I170-P188 HydrophobicContact CD1-CB 4.29Å; I170-P188 HydrophobicContact CG1-CB 4.4Å; L184-P188 HydrophobicContact CD2-CG 4.26Å; P188-V190 HydrophobicContact CB-CG2 4.05Å; P188-V190 HydrophobicContact CG-CG2 4.37Å
189L96.8Very high91.6Very high47 Ų4740.3 Ų40.325%0.24622%0.215CC..EExtended strand (participates in β ladder)trans-88.8118.7168.8176.359.9000108.8A168 A169 F191 L212 L215 P397A168-L189 CarbonylContact C-O 3.59Å; A168-L189 VanDerWaalsContact CA-O 3.28Å; A168-L189 WeakPolarHBondContact CA-O 3.3Å; A169-L189 PolarHBondContact N-O 3.36Å; A169-L189 PolarHBondContact O-N 3.49Å; L189-F191 HydrophobicContact CD1-CE2 4.28Å; L189-F191 HydrophobicContact CD1-CZ 4.45Å; L189-F191 HydrophobicContact CD2-CE2 4.32Å; L189-F191 HydrophobicContact CG-CE2 4.11Å; L189-L212 HydrophobicContact CB-CD1 4.37Å; L189-L212 HydrophobicContact CD2-CD1 3.57Å; L189-L212 HydrophobicContact CG-CD1 3.8Å; L189-L215 HydrophobicContact CD1-CD1 4.09Å; L189-L215 HydrophobicContact CD2-CB 3.56Å; L189-L215 HydrophobicContact CD2-CD1 3.64Å; L189-L215 HydrophobicContact CD2-CG 4.27Å; L189-L215 HydrophobicContact CG-CD1 4.45Å; L189-P397 HydrophobicContact CD1-CB 3.99Å; L189-P397 HydrophobicContact CD1-CG 3.9Å
190V98Very high91.7Very high11 Ų1142.6 Ų42.67%0.06723%0.233CC..EExtended strand (participates in β ladder)trans-129.9129.3-172-173.90000111C162 T166 A168 P188 P397 V398 F401C162-V190 HydrophobicContact CB-CG1 4.28Å; C162-V190 HydrophobicContact CB-CG2 4.21Å; T166-V190 HydrophobicContact CG2-CG1 3.99Å; A168-V190 HydrophobicContact CB-CG1 4.4Å; A168-V190 HydrophobicContact CB-CG2 3.99Å; P188-V190 HydrophobicContact CB-CG2 4.05Å; P188-V190 HydrophobicContact CG-CG2 4.37Å; V190-P397 CarbonylContact O-C 3.54Å; V190-P397 VanDerWaalsContact O-CA 3.23Å; V190-P397 WeakPolarHBondContact O-CA 3.33Å; V190-V398 HydrophobicContact CB-CG2 3.98Å; V190-V398 HydrophobicContact CG1-CG2 3.87Å; V190-V398 PolarHBondContact O-N 3.42Å; V190-F401 HydrophobicContact CG1-CE2 4.34Å; V190-F401 HydrophobicContact CG1-CZ 4.1Å
191F98.3Very high91.8Very high0 Ų040.1 Ų40.10%022%0.222CC..EExtended strand (participates in β ladder)trans-106.9138.2165.6-64-85.5000109.6T166 I167 L189 Q208 R211 L212 L215 E395 P397T166-F191 VanDerWaalsContact CA-O 3.28Å; T166-F191 WeakPolarHBondContact CA-O 3.4Å; T166-F191 WeakPolarHBondContact CB-O 3.18Å; I167-F191 HydrophobicContact CB-CB 4.49Å; I167-F191 PolarHBondContact N-O 2.92Å; I167-F191 PolarHBondContact O-N 3.45Å; L189-F191 HydrophobicContact CD1-CE2 4.28Å; L189-F191 HydrophobicContact CD1-CZ 4.45Å; L189-F191 HydrophobicContact CD2-CE2 4.32Å; L189-F191 HydrophobicContact CG-CE2 4.11Å; F191-Q208 HydrophobicContact CB-CB 4.37Å; F191-Q208 HydrophobicContact CB-CG 4.29Å; F191-R211 HydrophobicContact CE1-CG 4.04Å; F191-R211 HydrophobicContact CZ-CB 4.29Å; F191-R211 HydrophobicContact CZ-CG 3.76Å; F191-L212 HydrophobicContact CD2-CB 4.21Å; F191-L212 HydrophobicContact CD2-CD1 4.18Å; F191-L212 HydrophobicContact CE2-CB 3.9Å; F191-L212 HydrophobicContact CE2-CD1 3.86Å; F191-L215 HydrophobicContact CE2-CD1 4.33Å; F191-L215 HydrophobicContact CZ-CD1 3.74Å; F191-E395 WeakPolarHBondContact CE1-O 3.11Å; F191-P397 HydrophobicContact CE1-CB 4.42Å; F191-P397 HydrophobicContact CE1-CG 3.78Å; F191-P397 HydrophobicContact CZ-CG 3.98Å
192C97.8Very high91.8Very high2 Ų242 Ų421%0.01423%0.232CC..EExtended strand (participates in β ladder)trans-91.5110173.11800000109.2G194 Q208 A383 V398 F401 L430C192-G194 VanDerWaalsContact C-N 3.33Å; C192-Q208 PolarHBondContact O-NE2 2.94Å; C192-A383 HydrophobicContact CB-CB 3.66Å; C192-V398 HydrophobicContact CB-CG1 3.81Å; C192-F401 HydrophobicContact CB-CE1 4.26Å; C192-L430 HydrophobicContact CB-CD2 3.86Å; C192-L430 WeakPolarHBondContact O-CD2 3.26Å
193F97Very high91.7Very high3 Ų344.5 Ų44.51%0.01325%0.246CC..  trans-78.5-22.3174.3-179.9-116.7000111.7V156 A165 I167 H195 D197 N201 L204 F205V156-F193 HydrophobicContact CB-CD1 4.02Å; V156-F193 HydrophobicContact CG1-CB 3.97Å; V156-F193 HydrophobicContact CG1-CD1 3.76Å; V156-F193 HydrophobicContact CG1-CG 4.06Å; V156-F193 HydrophobicContact CG2-CD1 4.04Å; V156-F193 HydrophobicContact CG2-CE1 4.31Å; A165-F193 PolarHBondContact O-N 2.91Å; I167-F193 HydrophobicContact CD1-CB 4.49Å; F193-H195 HydrophobicContact CD1-CB 3.96Å; F193-H195 VanDerWaalsContact CD1-O 3.3Å; F193-H195 WeakPolarHBondContact CD1-O 3.28Å; F193-H195 HydrophobicContact CE1-CB 3.68Å; F193-H195 PolarHBondContact O-N 3.04Å; F193-H195 VanDerWaalsContact O-N 3.11Å; F193-D197 WeakPolarHBondContact CE1-O 3.41Å; F193-N201 HydrophobicContact CE2-CB 4.15Å; F193-N201 VanDerWaalsContact CE2-O 3.31Å; F193-N201 WeakPolarHBondContact CE2-O 3.14Å; F193-N201 HydrophobicContact CZ-CB 4.13Å; F193-L204 HydrophobicContact CD2-CD2 4.05Å; F193-L204 HydrophobicContact CD2-CG 4.17Å; F193-L204 HydrophobicContact CE2-CB 4.22Å; F193-L204 HydrophobicContact CE2-CD2 4.18Å; F193-L204 HydrophobicContact CE2-CG 4.24Å; F193-F205 HydrophobicContact CD2-CB 4.31Å; F193-F205 HydrophobicContact CE2-CB 3.67Å; F193-F205 HydrophobicContact CE2-CD2 4.48Å; F193-F205 HydrophobicContact CZ-CB 4.1Å
194G95.6Very high92.1Very high3 Ų342.9 Ų42.93%0.03124%0.235CC..  trans80.5-21.5176.200000114.8A165 C192 T432 S433A165-G194 PolarHBondContact O-N 3.46Å; A165-G194 VanDerWaalsContact O-N 3.09Å; C192-G194 VanDerWaalsContact C-N 3.33Å; G194-T432 WeakPolarHBondContact O-CA 3.3Å; G194-S433 WeakPolarHBondContact O-CB 3.38Å; G194-S433 PolarHBondContact O-N 3.49Å; G194-S433 PolarHBondContact O-OG 2.95Å
195H95Very high92.8Very high45 Ų4537.9 Ų37.921%0.20821%0.208CC..SBendtrans-117.4157.7-179.7-63.8-90.8000113.1A165 F193 S200 S433A165-H195 VanDerWaalsContact CA-O 3.28Å; A165-H195 WeakPolarHBondContact CA-O 3.4Å; F193-H195 HydrophobicContact CD1-CB 3.96Å; F193-H195 VanDerWaalsContact CD1-O 3.3Å; F193-H195 WeakPolarHBondContact CD1-O 3.28Å; F193-H195 HydrophobicContact CE1-CB 3.68Å; F193-H195 PolarHBondContact O-N 3.04Å; F193-H195 VanDerWaalsContact O-N 3.11Å; H195-S200 WeakPolarHBondContact CB-OG 3.43Å; H195-S200 VanDerWaalsContact CG-CB 3.46Å; H195-S433 WeakPolarHBondContact CA-OG 3.26Å
196T94Very high93.6Very high36 Ų3637 Ų3722%0.22120%0.199CC..SBendtrans-94.43.5179.854.20000114.3G157 P164 I434G157-T196 WeakPolarHBondContact CA-O 3.21Å; G157-T196 PolarHBondContact N-O 3.14Å; P164-T196 HydrophobicContact CB-CG2 4.42Å; T196-I434 HydrophobicContact CG2-CD1 3.46Å; T196-I434 VanDerWaalsContact CG2-CD1 3.46Å
197D91.5Very high94.2Very high69 Ų6937.4 Ų37.437%0.36920%0.201SC..SBendtrans-139.6122.4177.7-178.1-10.2000109F193 A199 S200F193-D197 WeakPolarHBondContact CE1-O 3.41Å; D197-A199 PolarHBondContact O-N 3.05Å; D197-A199 WeakPolarHBondContact OD1-CB 3.45Å; D197-A199 PolarHBondContact OD1-N 3.39Å; D197-S200 VanDerWaalsContact O-CB 3.27Å; D197-S200 WeakPolarHBondContact O-CB 3.27Å; D197-S200 PolarHBondContact O-N 2.73Å; D197-S200 PolarHBondContact O-OG 2.85Å
198P91.6Very high94.6Very high9 Ų931.2 Ų31.26%0.05817%0.169CC..G310 helixtrans-51-31.1176.2-26.636.5000113.5V156 S200 N201 L202 F205 A255V156-P198 VanDerWaalsContact CG2-CD 3.42Å; V156-P198 HydrophobicContact CG2-CG 3.76Å; P198-S200 PolarHBondContact O-N 3.27Å; P198-N201 CarbonylContact O-C 3.55Å; P198-N201 PolarHBondContact O-N 2.93Å; P198-N201 VanDerWaalsContact O-N 3.16Å; P198-L202 HydrophobicContact CB-CD2 4.14Å; P198-L202 WeakPolarHBondContact O-CD2 3.3Å; P198-L202 PolarHBondContact O-N 2.82Å; P198-F205 HydrophobicContact CB-CD1 4.42Å; P198-F205 HydrophobicContact CB-CD2 3.77Å; P198-F205 HydrophobicContact CB-CE2 4.01Å; P198-F205 HydrophobicContact CB-CG 3.99Å; P198-F205 HydrophobicContact CB-CZ 4.45Å; P198-F205 HydrophobicContact CG-CD2 4.06Å; P198-F205 HydrophobicContact CG-CE2 3.87Å; P198-F205 HydrophobicContact CG-CZ 4.37Å; P198-A255 HydrophobicContact CB-CB 4.38Å
199A88.9Confident94.7Very high23 Ų2329.1 Ų29.119%0.1916%0.155CC..G310 helixtrans-58.4-17.9177.600000114.4D197 N201 K251D197-A199 PolarHBondContact O-N 3.05Å; D197-A199 WeakPolarHBondContact OD1-CB 3.45Å; D197-A199 PolarHBondContact OD1-N 3.39Å; A199-N201 VanDerWaalsContact C-N 3.31Å; A199-K251 HydrophobicContact CB-CB 4.16Å; A199-K251 HydrophobicContact CB-CD 3.36Å; A199-K251 HydrophobicContact CB-CG 4.4Å
200S90.2Very high94.8Very high64 Ų6429.7 Ų29.745%0.44816%0.158SC..G310 helixtrans-67.9-30.9178.8-50.90000112.3H195 D197 P198H195-S200 WeakPolarHBondContact CB-OG 3.43Å; H195-S200 VanDerWaalsContact CG-CB 3.46Å; D197-S200 VanDerWaalsContact O-CB 3.27Å; D197-S200 WeakPolarHBondContact O-CB 3.27Å; D197-S200 PolarHBondContact O-N 2.73Å; D197-S200 PolarHBondContact O-OG 2.85Å; P198-S200 PolarHBondContact O-N 3.27Å
201N91.8Very high94.7Very high17 Ų1733.8 Ų33.89%0.09117%0.172CC..  trans-162.478.3178.2-168.3-19.4000110.3F193 P198 A199 N203 L204 F205 W365F193-N201 HydrophobicContact CE2-CB 4.15Å; F193-N201 VanDerWaalsContact CE2-O 3.31Å; F193-N201 WeakPolarHBondContact CE2-O 3.14Å; F193-N201 HydrophobicContact CZ-CB 4.13Å; P198-N201 CarbonylContact O-C 3.55Å; P198-N201 PolarHBondContact O-N 2.93Å; P198-N201 VanDerWaalsContact O-N 3.16Å; A199-N201 VanDerWaalsContact C-N 3.31Å; N201-N203 VanDerWaalsContact C-N 3.26Å; N201-N203 PolarHBondContact O-N 2.89Å; N201-L204 HydrophobicContact CB-CB 4.08Å; N201-L204 WeakPolarHBondContact ND2-CB 3.37Å; N201-L204 PolarHBondContact O-N 3.29Å; N201-L204 WeakPolarHBondContact OD1-CB 3.26Å; N201-L204 PolarHBondContact OD1-N 3.19Å; N201-L204 VanDerWaalsContact OD1-N 3.12Å; N201-F205 PolarHBondContact O-N 3.3Å; N201-W365 PolarHBondContact ND2-O 3.24Å
202L91.7Very high94.7Very high41 Ų4133.8 Ų33.822%0.21517%0.172CC..Hα-helixtrans-64-28.9-174.4-74.8174.5000113.7P198 R206 K251P198-L202 HydrophobicContact CB-CD2 4.14Å; P198-L202 WeakPolarHBondContact O-CD2 3.3Å; P198-L202 PolarHBondContact O-N 2.82Å; L202-R206 WeakPolarHBondContact O-CB 3.3Å; L202-R206 PolarHBondContact O-N 3.18Å; L202-K251 HydrophobicContact CD1-CB 4.03Å; L202-K251 HydrophobicContact CD1-CD 4.35Å; L202-K251 HydrophobicContact CD1-CG 3.91Å
203N92.9Very high94.8Very high68 Ų6833.8 Ų33.836%0.36417%0.172SC..Hα-helixtrans-69.5-46.9177.6-69.2-24.9000110.9N201 F205 R206 E207 W365N201-N203 VanDerWaalsContact C-N 3.26Å; N201-N203 PolarHBondContact O-N 2.89Å; N203-F205 VanDerWaalsContact C-N 3.33Å; N203-F205 PolarHBondContact O-N 2.93Å; N203-R206 WeakPolarHBondContact O-CB 3.4Å; N203-R206 PolarHBondContact O-N 2.89Å; N203-E207 PolarHBondContact O-N 2.87Å; N203-W365 HydrophobicContact CB-CD2 3.37Å; N203-W365 HydrophobicContact CB-CE3 3.47Å; N203-W365 VanDerWaalsContact CB-CE3 3.47Å; N203-W365 HydrophobicContact CB-CG 3.85Å; N203-W365 HydrophobicContact CB-CH2 4.18Å; N203-W365 HydrophobicContact CB-CZ2 4.09Å; N203-W365 HydrophobicContact CB-CZ3 3.88Å
204L94.8Very high94.8Very high3 Ų338.1 Ų38.12%0.01619%0.193CC..Hα-helixtrans-62.1-41.6173.1179.765.6000111.6F193 N201 R206 E207 Q208 V345 W365 P394F193-L204 HydrophobicContact CD2-CD2 4.05Å; F193-L204 HydrophobicContact CD2-CG 4.17Å; F193-L204 HydrophobicContact CE2-CB 4.22Å; F193-L204 HydrophobicContact CE2-CD2 4.18Å; F193-L204 HydrophobicContact CE2-CG 4.24Å; N201-L204 HydrophobicContact CB-CB 4.08Å; N201-L204 WeakPolarHBondContact ND2-CB 3.37Å; N201-L204 PolarHBondContact O-N 3.29Å; N201-L204 WeakPolarHBondContact OD1-CB 3.26Å; N201-L204 PolarHBondContact OD1-N 3.19Å; N201-L204 VanDerWaalsContact OD1-N 3.12Å; L204-R206 VanDerWaalsContact C-N 3.29Å; L204-R206 PolarHBondContact O-N 2.82Å; L204-E207 PolarHBondContact O-N 3.44Å; L204-Q208 HydrophobicContact CD1-CG 4.14Å; L204-Q208 HydrophobicContact CG-CG 4.37Å; L204-Q208 WeakPolarHBondContact O-CG 3.44Å; L204-Q208 PolarHBondContact O-N 2.67Å; L204-V345 HydrophobicContact CD1-CG1 4.42Å; L204-V345 HydrophobicContact CD2-CB 4.32Å; L204-V345 HydrophobicContact CD2-CG1 3.75Å; L204-W365 HydrophobicContact CB-CE3 4.25Å; L204-W365 HydrophobicContact CB-CZ3 4.4Å; L204-P394 HydrophobicContact CD1-CB 3.77Å
205F95.5Very high94.8Very high1 Ų140 Ų400%0.00420%0.202CC..Hα-helixtrans-57.2-46.3175.9179.5-93000110.5V154 V156 I167 F193 P198 N201 N203 Q208 V209 A255V154-F205 HydrophobicContact CB-CE2 4.37Å; V154-F205 HydrophobicContact CB-CZ 4.17Å; V154-F205 HydrophobicContact CG2-CZ 4.46Å; V156-F205 HydrophobicContact CG1-CE2 4.35Å; I167-F205 HydrophobicContact CD1-CD2 3.74Å; I167-F205 HydrophobicContact CD1-CE2 3.85Å; I167-F205 HydrophobicContact CG1-CE2 4.32Å; F193-F205 HydrophobicContact CD2-CB 4.31Å; F193-F205 HydrophobicContact CE2-CB 3.67Å; F193-F205 HydrophobicContact CE2-CD2 4.48Å; F193-F205 HydrophobicContact CZ-CB 4.1Å; P198-F205 HydrophobicContact CB-CD1 4.42Å; P198-F205 HydrophobicContact CB-CD2 3.77Å; P198-F205 HydrophobicContact CB-CE2 4.01Å; P198-F205 HydrophobicContact CB-CG 3.99Å; P198-F205 HydrophobicContact CB-CZ 4.45Å; P198-F205 HydrophobicContact CG-CD2 4.06Å; P198-F205 HydrophobicContact CG-CE2 3.87Å; P198-F205 HydrophobicContact CG-CZ 4.37Å; N201-F205 PolarHBondContact O-N 3.3Å; N203-F205 VanDerWaalsContact C-N 3.33Å; N203-F205 PolarHBondContact O-N 2.93Å; F205-Q208 PolarHBondContact O-N 3.43Å; F205-V209 HydrophobicContact CD1-CG2 4.08Å; F205-V209 HydrophobicContact CD2-CG2 4.47Å; F205-V209 HydrophobicContact CE1-CG2 3.68Å; F205-V209 HydrophobicContact CE2-CG2 4.1Å; F205-V209 HydrophobicContact CG-CG2 4.45Å; F205-V209 HydrophobicContact CZ-CG2 3.69Å; F205-V209 WeakPolarHBondContact O-CB 3.45Å; F205-V209 VanDerWaalsContact O-CG2 3.24Å; F205-V209 WeakPolarHBondContact O-CG2 3.38Å; F205-V209 PolarHBondContact O-N 2.98Å; F205-A255 HydrophobicContact CD1-CB 4.21Å; F205-A255 HydrophobicContact CE1-CB 3.65Å; F205-A255 HydrophobicContact CZ-CB 4.17Å
206R95.9Very high94.9Very high106 Ų10638 Ų3840%0.419%0.193SC..Hα-helixtrans-59.8-47.4177173.4-176.1-63.2156.1-0.3112.3L202 N203 L204 V209 N210 T258L202-R206 WeakPolarHBondContact O-CB 3.3Å; L202-R206 PolarHBondContact O-N 3.18Å; N203-R206 WeakPolarHBondContact O-CB 3.4Å; N203-R206 PolarHBondContact O-N 2.89Å; L204-R206 VanDerWaalsContact C-N 3.29Å; L204-R206 PolarHBondContact O-N 2.82Å; R206-V209 PolarHBondContact O-N 3.08Å; R206-N210 WeakPolarHBondContact O-CB 3.42Å; R206-N210 VanDerWaalsContact O-CG 3.29Å; R206-N210 PolarHBondContact O-N 3.49Å; R206-N210 PolarHBondContact O-ND2 3.17Å; R206-T258 HydrophobicContact CB-CG2 3.67Å; R206-T258 HydrophobicContact CG-CG2 3.59Å
207E95.5Very high95Very high62 Ų6238.5 Ų38.529%0.2919%0.194SC..Hα-helixtrans-61.2-48.9179.4-173.2168.6-152.900111.8N203 L204 V209 N210 R211 W365N203-E207 PolarHBondContact O-N 2.87Å; L204-E207 PolarHBondContact O-N 3.44Å; E207-V209 PolarHBondContact O-N 3.01Å; E207-N210 PolarHBondContact O-N 3.35Å; E207-R211 WeakPolarHBondContact O-CB 3.19Å; E207-R211 PolarHBondContact O-N 2.95Å; E207-W365 WeakPolarHBondContact OE2-CH2 3.45Å; E207-W365 WeakPolarHBondContact OE2-CZ3 3.24Å
208Q97.7Very high95.2Very high1 Ų139.2 Ų39.21%0.00520%0.197CC..Hα-helixtrans-64.4-38178.4-70.6-174.9-10.600112.7I167 F191 C192 L204 F205 R211 L212 P394I167-Q208 HydrophobicContact CD1-CB 3.9Å; F191-Q208 HydrophobicContact CB-CB 4.37Å; F191-Q208 HydrophobicContact CB-CG 4.29Å; C192-Q208 PolarHBondContact O-NE2 2.94Å; L204-Q208 HydrophobicContact CD1-CG 4.14Å; L204-Q208 HydrophobicContact CG-CG 4.37Å; L204-Q208 WeakPolarHBondContact O-CG 3.44Å; L204-Q208 PolarHBondContact O-N 2.67Å; F205-Q208 PolarHBondContact O-N 3.43Å; Q208-R211 PolarHBondContact O-N 2.65Å; Q208-L212 VanDerWaalsContact O-CB 3.31Å; Q208-L212 WeakPolarHBondContact O-CB 3.34Å; Q208-L212 PolarHBondContact O-N 2.97Å; Q208-P394 PolarHBondContact NE2-O 3.34Å
209V98.2Very high95.3Very high0 Ų043 Ų430%021%0.21CC..Hα-helixtrans-66.2-44.8175.9167.50000111.4V154 I167 F205 R206 E207 R211 L212 A213 T258 T259 A262 F263V154-V209 HydrophobicContact CG1-CG2 4.06Å; I167-V209 HydrophobicContact CD1-CG2 4.01Å; F205-V209 HydrophobicContact CD1-CG2 4.08Å; F205-V209 HydrophobicContact CD2-CG2 4.47Å; F205-V209 HydrophobicContact CE1-CG2 3.68Å; F205-V209 HydrophobicContact CE2-CG2 4.1Å; F205-V209 HydrophobicContact CG-CG2 4.45Å; F205-V209 HydrophobicContact CZ-CG2 3.69Å; F205-V209 WeakPolarHBondContact O-CB 3.45Å; F205-V209 VanDerWaalsContact O-CG2 3.24Å; F205-V209 WeakPolarHBondContact O-CG2 3.38Å; F205-V209 PolarHBondContact O-N 2.98Å; R206-V209 PolarHBondContact O-N 3.08Å; E207-V209 PolarHBondContact O-N 3.01Å; V209-R211 VanDerWaalsContact C-N 3.33Å; V209-L212 PolarHBondContact O-N 3.1Å; V209-A213 PolarHBondContact O-N 3.03Å; V209-T258 HydrophobicContact CG1-CG2 4.39Å; V209-T259 HydrophobicContact CG1-CG2 4.33Å; V209-A262 HydrophobicContact CG1-CB 3.78Å; V209-F263 HydrophobicContact CG1-CE2 4.19Å
210N97.9Very high95.5Very high59 Ų5942.1 Ų42.132%0.31620%0.203SC..Hα-helixtrans-60.3-46.5175.3-75.2-25.6000110.6R206 E207 L212 A213 E214 A262R206-N210 WeakPolarHBondContact O-CB 3.42Å; R206-N210 VanDerWaalsContact O-CG 3.29Å; R206-N210 PolarHBondContact O-N 3.49Å; R206-N210 PolarHBondContact O-ND2 3.17Å; E207-N210 PolarHBondContact O-N 3.35Å; N210-L212 VanDerWaalsContact C-N 3.33Å; N210-L212 PolarHBondContact O-N 3.11Å; N210-A213 PolarHBondContact O-N 3.43Å; N210-A213 VanDerWaalsContact O-N 3.15Å; N210-E214 WeakPolarHBondContact O-CG 3.25Å; N210-E214 PolarHBondContact O-N 3.16Å; N210-A262 WeakPolarHBondContact OD1-CB 3.47Å
211R97.6Very high95.5Very high97 Ų9746.1 Ų46.137%0.36622%0.215SC..Hα-helixtrans-63.1-40.1179.4-171.459.2179.3155.50.3112.6F191 E207 Q208 V209 E214 L215F191-R211 HydrophobicContact CE1-CG 4.04Å; F191-R211 HydrophobicContact CZ-CB 4.29Å; F191-R211 HydrophobicContact CZ-CG 3.76Å; E207-R211 WeakPolarHBondContact O-CB 3.19Å; E207-R211 PolarHBondContact O-N 2.95Å; Q208-R211 PolarHBondContact O-N 2.65Å; V209-R211 VanDerWaalsContact C-N 3.33Å; R211-E214 WeakPolarHBondContact CD-OE2 3.35Å; R211-E214 IonicContact CZ-OE2 3.85Å; R211-E214 IonicContact NH1-OE2 2.81Å; R211-E214 PolarHBondContact NH1-OE2 3.23Å; R211-E214 PolarHBondContact O-N 2.89Å; R211-L215 HydrophobicContact CG-CD1 4.42Å; R211-L215 WeakPolarHBondContact O-CG 3.31Å; R211-L215 PolarHBondContact O-N 2.89Å; R211-L215 VanDerWaalsContact O-N 3.1Å
212L98.2Very high95.6Very high0 Ų051.7 Ų51.70%024%0.244CC..Hα-helixtrans-61-45.3174-178.466.7000111.2V152 I167 A169 L189 F191 Q208 V209 N210 L215 I216 F263V152-L212 HydrophobicContact CG1-CD2 3.76Å; I167-L212 HydrophobicContact CG2-CD2 3.52Å; A169-L212 HydrophobicContact CB-CD1 3.88Å; A169-L212 HydrophobicContact CB-CD2 4.27Å; A169-L212 HydrophobicContact CB-CG 4.46Å; L189-L212 HydrophobicContact CB-CD1 4.37Å; L189-L212 HydrophobicContact CD2-CD1 3.57Å; L189-L212 HydrophobicContact CG-CD1 3.8Å; F191-L212 HydrophobicContact CD2-CB 4.21Å; F191-L212 HydrophobicContact CD2-CD1 4.18Å; F191-L212 HydrophobicContact CE2-CB 3.9Å; F191-L212 HydrophobicContact CE2-CD1 3.86Å; Q208-L212 VanDerWaalsContact O-CB 3.31Å; Q208-L212 WeakPolarHBondContact O-CB 3.34Å; Q208-L212 PolarHBondContact O-N 2.97Å; V209-L212 PolarHBondContact O-N 3.1Å; N210-L212 VanDerWaalsContact C-N 3.33Å; N210-L212 PolarHBondContact O-N 3.11Å; L212-L215 PolarHBondContact O-N 3.44Å; L212-I216 HydrophobicContact CD1-CD1 4.06Å; L212-I216 HydrophobicContact CD2-CD1 4.39Å; L212-I216 HydrophobicContact CG-CD1 3.81Å; L212-I216 WeakPolarHBondContact O-CB 3.31Å; L212-I216 VanDerWaalsContact O-CG1 3.3Å; L212-I216 WeakPolarHBondContact O-CG1 3.39Å; L212-I216 PolarHBondContact O-N 3.34Å; L212-F263 HydrophobicContact CD2-CZ 4.17Å; L212-F263 HydrophobicContact CG-CZ 4.22Å
213A98.2Very high95.7Very high2 Ų251.9 Ų51.92%0.01725%0.245CC..Hα-helixtrans-63.1-41.9178.900000112.2V209 N210 I216 N217 A262 F263V209-A213 PolarHBondContact O-N 3.03Å; N210-A213 PolarHBondContact O-N 3.43Å; N210-A213 VanDerWaalsContact O-N 3.15Å; A213-I216 PolarHBondContact O-N 2.88Å; A213-N217 VanDerWaalsContact O-CG 3.23Å; A213-N217 PolarHBondContact O-N 2.83Å; A213-N217 PolarHBondContact O-ND2 3.43Å; A213-N217 PolarHBondContact O-OD1 3.47Å; A213-A262 HydrophobicContact CB-CB 4.05Å; A213-A262 VanDerWaalsContact CB-O 3.26Å; A213-A262 WeakPolarHBondContact CB-O 3.46Å; A213-F263 HydrophobicContact CB-CD1 4.12Å; A213-F263 HydrophobicContact CB-CD2 4.1Å; A213-F263 HydrophobicContact CB-CE1 3.97Å; A213-F263 HydrophobicContact CB-CE2 3.96Å; A213-F263 HydrophobicContact CB-CG 4.19Å; A213-F263 HydrophobicContact CB-CZ 3.89Å
214E97.6Very high95.9Very high94 Ų9452.6 Ų52.644%0.43925%0.248SC..Hα-helixtrans-58.4-49.7174.5-73.1172.2-172.900112.3N210 R211 I216 N217 I218N210-E214 WeakPolarHBondContact O-CG 3.25Å; N210-E214 PolarHBondContact O-N 3.16Å; R211-E214 WeakPolarHBondContact CD-OE2 3.35Å; R211-E214 IonicContact CZ-OE2 3.85Å; R211-E214 IonicContact NH1-OE2 2.81Å; R211-E214 PolarHBondContact NH1-OE2 3.23Å; R211-E214 PolarHBondContact O-N 2.89Å; E214-I216 VanDerWaalsContact C-N 3.29Å; E214-I216 PolarHBondContact O-N 3.24Å; E214-N217 WeakPolarHBondContact O-CB 3.32Å; E214-N217 PolarHBondContact O-N 2.9Å; E214-N217 VanDerWaalsContact O-N 3.15Å; E214-I218 WeakPolarHBondContact O-CG1 3.34Å; E214-I218 PolarHBondContact O-N 2.96Å
215L96.7Very high95.9Very high42 Ų4254.5 Ų54.522%0.2226%0.261CS..Hα-helixtrans-66-33.9-179.8-68.4174000112L189 F191 R211 L212 I218 R219L189-L215 HydrophobicContact CD1-CD1 4.09Å; L189-L215 HydrophobicContact CD2-CB 3.56Å; L189-L215 HydrophobicContact CD2-CD1 3.64Å; L189-L215 HydrophobicContact CD2-CG 4.27Å; L189-L215 HydrophobicContact CG-CD1 4.45Å; F191-L215 HydrophobicContact CE2-CD1 4.33Å; F191-L215 HydrophobicContact CZ-CD1 3.74Å; R211-L215 HydrophobicContact CG-CD1 4.42Å; R211-L215 WeakPolarHBondContact O-CG 3.31Å; R211-L215 PolarHBondContact O-N 2.89Å; R211-L215 VanDerWaalsContact O-N 3.1Å; L212-L215 PolarHBondContact O-N 3.44Å; L215-I218 HydrophobicContact CD2-CD1 4.36Å; L215-I218 PolarHBondContact O-N 3.44Å; L215-R219 WeakPolarHBondContact O-CB 3.48Å; L215-R219 PolarHBondContact O-N 3.47Å
216I96.5Very high96Very high5 Ų554.5 Ų54.53%0.02626%0.261CS..Hα-helixtrans-66.1-40.8172.3-76.5167.9000111.4I150 V152 A169 L212 A213 E214 R219 S220 F263I150-I216 HydrophobicContact CD1-CB 4.37Å; I150-I216 HydrophobicContact CD1-CG1 4.28Å; I150-I216 HydrophobicContact CD1-CG2 3.57Å; I150-I216 HydrophobicContact CG2-CD1 4Å; I150-I216 HydrophobicContact CG2-CG1 4.33Å; V152-I216 HydrophobicContact CG2-CD1 3.62Å; A169-I216 HydrophobicContact CB-CD1 3.69Å; A169-I216 HydrophobicContact CB-CG1 4.37Å; L212-I216 HydrophobicContact CD1-CD1 4.06Å; L212-I216 HydrophobicContact CD2-CD1 4.39Å; L212-I216 HydrophobicContact CG-CD1 3.81Å; L212-I216 WeakPolarHBondContact O-CB 3.31Å; L212-I216 VanDerWaalsContact O-CG1 3.3Å; L212-I216 WeakPolarHBondContact O-CG1 3.39Å; L212-I216 PolarHBondContact O-N 3.34Å; A213-I216 PolarHBondContact O-N 2.88Å; E214-I216 VanDerWaalsContact C-N 3.29Å; E214-I216 PolarHBondContact O-N 3.24Å; I216-R219 PolarHBondContact O-N 2.98Å; I216-S220 WeakPolarHBondContact O-CB 3.35Å; I216-S220 PolarHBondContact O-N 3.49Å; I216-S220 PolarHBondContact O-OG 3.09Å; I216-F263 HydrophobicContact CD1-CE1 3.6Å; I216-F263 HydrophobicContact CD1-CZ 3.87Å; I216-F263 HydrophobicContact CG2-CE1 4.45Å
217N96.2Very high96.1Very high46 Ų4652 Ų5225%0.24625%0.253CS..Hα-helixtrans-59.9-49.5174.2-69.4-19000110.6R120 A213 E214 R219 S220 E221R120-N217 PolarHBondContact NH1-OD1 3.04Å; R120-N217 PolarHBondContact NH2-OD1 3.29Å; A213-N217 VanDerWaalsContact O-CG 3.23Å; A213-N217 PolarHBondContact O-N 2.83Å; A213-N217 PolarHBondContact O-ND2 3.43Å; A213-N217 PolarHBondContact O-OD1 3.47Å; E214-N217 WeakPolarHBondContact O-CB 3.32Å; E214-N217 PolarHBondContact O-N 2.9Å; E214-N217 VanDerWaalsContact O-N 3.15Å; N217-R219 VanDerWaalsContact C-N 3.33Å; N217-R219 PolarHBondContact O-N 2.91Å; N217-S220 WeakPolarHBondContact O-CB 3.28Å; N217-S220 PolarHBondContact O-N 2.93Å; N217-E221 WeakPolarHBondContact O-CG 3.17Å; N217-E221 PolarHBondContact O-N 2.83Å
218I95.6Very high96.2Very high84 Ų8449.4 Ų49.443%0.43124%0.242SC..Hα-helixtrans-57.6-45.9176.7-66.2165.1000110.7E214 L215 S220 E221 N222E214-I218 WeakPolarHBondContact O-CG1 3.34Å; E214-I218 PolarHBondContact O-N 2.96Å; L215-I218 HydrophobicContact CD2-CD1 4.36Å; L215-I218 PolarHBondContact O-N 3.44Å; I218-S220 VanDerWaalsContact C-N 3.3Å; I218-S220 PolarHBondContact O-N 3.49Å; I218-E221 PolarHBondContact O-N 2.79Å; I218-N222 PolarHBondContact O-N 2.83Å; I218-N222 PolarHBondContact O-ND2 3.32Å
219R93.4Very high96.2Very high87 Ų8749.4 Ų49.433%0.32824%0.242SC..Hα-helixtrans-61.8-40.4176.5-178.3169.4176.5133.46.2111.9E186 L215 I216 N217 N222 D223 I226E186-R219 PolarHBondContact O-NH1 2.97Å; E186-R219 IonicContact OE2-CZ 3.57Å; E186-R219 IonicContact OE2-NH2 2.99Å; E186-R219 PolarHBondContact OE2-NH2 2.99Å; L215-R219 WeakPolarHBondContact O-CB 3.48Å; L215-R219 PolarHBondContact O-N 3.47Å; I216-R219 PolarHBondContact O-N 2.98Å; N217-R219 VanDerWaalsContact C-N 3.33Å; N217-R219 PolarHBondContact O-N 2.91Å; R219-N222 PolarHBondContact O-N 2.9Å; R219-D223 PolarHBondContact O-N 3.42Å; R219-I226 HydrophobicContact CG-CD1 4.29Å
220S93.3Very high96.2Very high6 Ų649.6 Ų49.64%0.04224%0.244CC..Hα-helixtrans-66.8-42-179.5-56.30000111.5I216 N217 I218 N222 D223 F227I216-S220 WeakPolarHBondContact O-CB 3.35Å; I216-S220 PolarHBondContact O-N 3.49Å; I216-S220 PolarHBondContact O-OG 3.09Å; N217-S220 WeakPolarHBondContact O-CB 3.28Å; N217-S220 PolarHBondContact O-N 2.93Å; I218-S220 VanDerWaalsContact C-N 3.3Å; I218-S220 PolarHBondContact O-N 3.49Å; S220-N222 PolarHBondContact O-N 2.94Å; S220-N222 VanDerWaalsContact O-N 3.15Å; S220-D223 CarbonylContact O-C 3.5Å; S220-D223 PolarHBondContact O-N 2.89Å; S220-D223 VanDerWaalsContact O-N 3.13Å; S220-D223 VanDerWaalsContact O-O 3.07Å; S220-F227 WeakPolarHBondContact O-CB 3.43Å
221E90.2Very high96.2Very high148 Ų14846.9 Ų46.969%0.69223%0.23SC*.Hα-helixtrans-59.5-26.5176.1-72.2170.4-172.700113.1N217 I218N217-E221 WeakPolarHBondContact O-CG 3.17Å; N217-E221 PolarHBondContact O-N 2.83Å; I218-E221 PolarHBondContact O-N 2.79Å
222N93Very high96.3Very high134 Ų13442.3 Ų42.372%0.71721%0.212SC*.Hα-helixtrans-95.1-9.3179.8-69.3-64.3000114.2I218 R219 S220I218-N222 PolarHBondContact O-N 2.83Å; I218-N222 PolarHBondContact O-ND2 3.32Å; R219-N222 PolarHBondContact O-N 2.9Å; S220-N222 PolarHBondContact O-N 2.94Å; S220-N222 VanDerWaalsContact O-N 3.15Å
223D95.3Very high96.3Very high44 Ų4442.3 Ų42.324%0.23521%0.212CC..  trans-137.8101.6177.6-176.2-19.2000110.6R219 S220 S225 I226 F227R219-D223 PolarHBondContact O-N 3.42Å; S220-D223 CarbonylContact O-C 3.5Å; S220-D223 PolarHBondContact O-N 2.89Å; S220-D223 VanDerWaalsContact O-N 3.13Å; S220-D223 VanDerWaalsContact O-O 3.07Å; D223-S225 PolarHBondContact O-N 2.89Å; D223-S225 WeakPolarHBondContact OD1-CA 3.46Å; D223-S225 VanDerWaalsContact OD1-CB 3.25Å; D223-S225 WeakPolarHBondContact OD1-CB 3.37Å; D223-S225 PolarHBondContact OD1-N 3.37Å; D223-I226 HydrophobicContact CB-CB 4.04Å; D223-I226 HydrophobicContact CB-CD1 3.99Å; D223-I226 HydrophobicContact CB-CG1 4.14Å; D223-I226 WeakPolarHBondContact O-CB 3.11Å; D223-I226 PolarHBondContact O-N 3.25Å; D223-I226 PolarHBondContact OD1-N 3.1Å; D223-I226 WeakPolarHBondContact OD2-CD1 3.15Å; D223-I226 WeakPolarHBondContact OD2-CG1 3.46Å; D223-F227 PolarHBondContact O-N 3.37Å
224M95.9Very high96.3Very high84 Ų8442.2 Ų42.241%0.41421%0.211SC..Hα-helixtrans-58.7-31.6-179.8-173.258.767.200113.1Q115 F227 T228Q115-M224 HydrophobicContact CB-CE 4.36Å; Q115-M224 HydrophobicContact CB-SD 4.38Å; Q115-M224 VanDerWaalsContact OE1-CE 3.3Å; Q115-M224 PolarHBondContact OE1-SD 3.28Å; Q115-M224 VanDerWaalsContact OE1-SD 3.34Å; M224-F227 PolarHBondContact O-N 3.1Å; M224-F227 HydrophobicContact SD-CD1 3.91Å; M224-T228 HydrophobicContact CG-CG2 4.31Å; M224-T228 WeakPolarHBondContact O-CB 3.42Å; M224-T228 WeakPolarHBondContact O-CG2 3.47Å; M224-T228 PolarHBondContact O-N 2.75Å; M224-T228 VanDerWaalsContact O-N 3.08Å; M224-T228 PolarHBondContact O-OG1 2.97Å; M224-T228 HydrophobicContact SD-CG2 3.77Å
225S96Very high96.3Very high43 Ų4337.8 Ų37.830%0.30119%0.191SC..Hα-helixtrans-67.6-41177.6-177.60000110.6D223 T228 S229D223-S225 PolarHBondContact O-N 2.89Å; D223-S225 WeakPolarHBondContact OD1-CA 3.46Å; D223-S225 VanDerWaalsContact OD1-CB 3.25Å; D223-S225 WeakPolarHBondContact OD1-CB 3.37Å; D223-S225 PolarHBondContact OD1-N 3.37Å; S225-T228 PolarHBondContact O-OG1 2.85Å; S225-S229 VanDerWaalsContact O-CB 3.27Å; S225-S229 WeakPolarHBondContact O-CB 3.35Å; S225-S229 PolarHBondContact O-N 3Å; S225-S229 PolarHBondContact O-OG 3.38Å
226I96.4Very high96.2Very high1 Ų136.4 Ų36.41%0.00519%0.185CC..Hα-helixtrans-68.3-47.4174.5-71.6178.1000110.5K148 I150 R219 D223 T228 S229 G230K148-I226 HydrophobicContact CB-CG1 4.18Å; I150-I226 HydrophobicContact CD1-CG2 3.43Å; I150-I226 VanDerWaalsContact CD1-CG2 3.43Å; I150-I226 HydrophobicContact CG1-CG2 3.74Å; R219-I226 HydrophobicContact CG-CD1 4.29Å; D223-I226 HydrophobicContact CB-CB 4.04Å; D223-I226 HydrophobicContact CB-CD1 3.99Å; D223-I226 HydrophobicContact CB-CG1 4.14Å; D223-I226 WeakPolarHBondContact O-CB 3.11Å; D223-I226 PolarHBondContact O-N 3.25Å; D223-I226 PolarHBondContact OD1-N 3.1Å; D223-I226 WeakPolarHBondContact OD2-CD1 3.15Å; D223-I226 WeakPolarHBondContact OD2-CG1 3.46Å; I226-T228 VanDerWaalsContact C-N 3.34Å; I226-T228 PolarHBondContact O-N 3.02Å; I226-S229 PolarHBondContact O-N 3.29Å; I226-S229 VanDerWaalsContact O-N 3.08Å; I226-G230 PolarHBondContact O-N 3.31Å
227F97.8Very high95.9Very high53 Ų5337.1 Ų37.123%0.23219%0.193CC..Hα-helixtrans-54.1-49.2-178.3-174.1-128.3000112.6S116 R117 G118 S220 D223 M224 S229S116-F227 WeakPolarHBondContact O-CD1 3.48Å; R117-F227 HydrophobicContact CB-CD2 4.41Å; R117-F227 HydrophobicContact CB-CE2 3.72Å; R117-F227 HydrophobicContact CB-CZ 3.85Å; R117-F227 HydrophobicContact CG-CD2 4.43Å; R117-F227 HydrophobicContact CG-CE2 3.99Å; G118-F227 PolarHBondContact N-O 3.45Å; S220-F227 WeakPolarHBondContact O-CB 3.43Å; D223-F227 PolarHBondContact O-N 3.37Å; M224-F227 PolarHBondContact O-N 3.1Å; M224-F227 HydrophobicContact SD-CD1 3.91Å; F227-S229 VanDerWaalsContact C-N 3.33Å; F227-S229 PolarHBondContact O-N 3.06Å
228T98.2Very high95.4Very high7 Ų735.2 Ų35.24%0.04318%0.183CC..Hα-helixtrans-76.6-18.5-178.656.30000113.4A111 V112 S116 G118 M224 S225 I226A111-T228 HydrophobicContact CB-CG2 4.42Å; V112-T228 HydrophobicContact CG2-CG2 4.25Å; S116-T228 WeakPolarHBondContact O-CG2 3.36Å; G118-T228 VanDerWaalsContact CA-O 3.22Å; G118-T228 WeakPolarHBondContact CA-O 3.45Å; M224-T228 HydrophobicContact CG-CG2 4.31Å; M224-T228 WeakPolarHBondContact O-CB 3.42Å; M224-T228 WeakPolarHBondContact O-CG2 3.47Å; M224-T228 PolarHBondContact O-N 2.75Å; M224-T228 VanDerWaalsContact O-N 3.08Å; M224-T228 PolarHBondContact O-OG1 2.97Å; M224-T228 HydrophobicContact SD-CG2 3.77Å; S225-T228 PolarHBondContact O-OG1 2.85Å; I226-T228 VanDerWaalsContact C-N 3.34Å; I226-T228 PolarHBondContact O-N 3.02Å
229S98.2Very high94.6Very high1 Ų136.9 Ų36.91%0.00718%0.183CC..Hα-helixtrans-80.1-27.7178.6-660000113.7R108 H147 K148 S225 I226 F227R108-S229 PolarHBondContact NE-O 2.73Å; H147-S229 WeakPolarHBondContact CB-OG 3.31Å; K148-S229 PolarHBondContact N-OG 3.46Å; K148-S229 WeakPolarHBondContact O-CB 3.4Å; S225-S229 VanDerWaalsContact O-CB 3.27Å; S225-S229 WeakPolarHBondContact O-CB 3.35Å; S225-S229 PolarHBondContact O-N 3Å; S225-S229 PolarHBondContact O-OG 3.38Å; I226-S229 PolarHBondContact O-N 3.29Å; I226-S229 VanDerWaalsContact O-N 3.08Å; F227-S229 VanDerWaalsContact C-N 3.33Å; F227-S229 PolarHBondContact O-N 3.06Å
230G98.1Very high93.4Very high4 Ų439.1 Ų39.14%0.04120%0.195CC..  trans78.5-159.9176.600000114.5P119 P149 I150 I226P119-G230 CarbonylContact O-C 3.55Å; P119-G230 VanDerWaalsContact O-CA 3.31Å; P119-G230 WeakPolarHBondContact O-CA 3.26Å; P149-G230 WeakPolarHBondContact CA-O 3.47Å; I150-G230 PolarHBondContact N-O 2.93Å; I226-G230 PolarHBondContact O-N 3.31Å
231C98.5Very high92.1Very high3 Ų343.8 Ų43.82%0.0222%0.22CC..EExtended strand (participates in β ladder)trans-128.8144.4-173.9-57.70000112P119 R120 V121 I150 I233P119-C231 PolarHBondContact O-N 2.87Å; R120-C231 HydrophobicContact CB-CB 4.46Å; R120-C231 HydrophobicContact CG-CB 4.1Å; V121-C231 PolarHBondContact N-O 3.38Å; I150-C231 CarbonylContact O-C 3.59Å; I150-C231 WeakPolarHBondContact O-CA 3.41Å; C231-I233 HydrophobicContact CB-CD1 4.42Å; C231-I233 HydrophobicContact CB-CG1 4.17Å
232I98.8Very high90.5Very high0 Ų042.3 Ų42.30%022%0.217CC..EExtended strand (participates in β ladder)trans-119.6116169.4-61.2167.1000106.8C135 L138 A139 P149 I150 L151 V152C135-I232 HydrophobicContact CB-CG2 3.81Å; L138-I232 HydrophobicContact CB-CD1 3.85Å; A139-I232 HydrophobicContact CB-CD1 3.91Å; P149-I232 HydrophobicContact CB-CD1 4.24Å; P149-I232 HydrophobicContact CG-CD1 4.32Å; I150-I232 PolarHBondContact O-N 3.46Å; L151-I232 WeakPolarHBondContact CA-O 3.35Å; L151-I232 HydrophobicContact CD1-CB 4.36Å; L151-I232 HydrophobicContact CD1-CG2 4.18Å; V152-I232 PolarHBondContact N-O 2.9Å
233I98.8Very high89Confident0 Ų039.9 Ų39.90%021%0.211CC..EExtended strand (participates in β ladder)trans-116.2118.4-168.3-50.7160.2000109.5V121 L122 V123 V152 V154 C231 T259 F263 V265V121-I233 PolarHBondContact O-N 2.81Å; L122-I233 HydrophobicContact CD1-CB 3.62Å; L122-I233 HydrophobicContact CD1-CD1 4.48Å; L122-I233 HydrophobicContact CD1-CG2 3.36Å; V123-I233 PolarHBondContact N-O 2.92Å; V152-I233 HydrophobicContact CB-CB 4.25Å; V152-I233 HydrophobicContact CB-CG1 3.95Å; V152-I233 HydrophobicContact CB-CG2 4.06Å; V152-I233 HydrophobicContact CG1-CG1 4.5Å; V152-I233 HydrophobicContact CG1-CG2 3.91Å; V152-I233 HydrophobicContact CG2-CG1 4.25Å; V152-I233 CarbonylContact O-C 3.56Å; V152-I233 VanDerWaalsContact O-CA 3.32Å; V152-I233 WeakPolarHBondContact O-CA 3.3Å; V154-I233 HydrophobicContact CG2-CG2 4.45Å; C231-I233 HydrophobicContact CB-CD1 4.42Å; C231-I233 HydrophobicContact CB-CG1 4.17Å; I233-T259 HydrophobicContact CG2-CG2 3.75Å; I233-F263 HydrophobicContact CD1-CB 3.55Å; I233-F263 HydrophobicContact CD1-CD1 3.85Å; I233-F263 HydrophobicContact CD1-CD2 4.04Å; I233-F263 HydrophobicContact CD1-CG 3.53Å; I233-F263 HydrophobicContact CG1-CG 4.49Å; I233-V265 HydrophobicContact CD1-CG1 3.88Å
234N98.6Very high87.5Confident0 Ų042 Ų420%022%0.222CC..EExtended strand (participates in β ladder)trans-96116.7177.2-179.545.3000110.9K131 S132 C135 V152 D153 V154 N155 Q160K131-N234 VanDerWaalsContact CB-OD1 3.3Å; K131-N234 WeakPolarHBondContact CB-OD1 3.41Å; S132-N234 PolarHBondContact OG-ND2 3.43Å; S132-N234 VanDerWaalsContact OG-ND2 3.12Å; C135-N234 HydrophobicContact CB-CB 4.33Å; V152-N234 PolarHBondContact O-N 3.27Å; D153-N234 PolarHBondContact OD1-ND2 3.3Å; D153-N234 PolarHBondContact OD2-ND2 2.99Å; V154-N234 VanDerWaalsContact CG2-O 3.25Å; V154-N234 WeakPolarHBondContact CG2-O 3.24Å; V154-N234 PolarHBondContact N-O 3.05Å; N155-N234 PolarHBondContact N-O 3.49Å; Q160-N234 PolarHBondContact NE2-ND2 3.14Å
235M97.6Very high86Confident2 Ų241.6 Ų41.61%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-80.1155.7174.5-74.7-62.1-59.300113.6L122 V123 C124 K131 V154 A255 I256 T259L122-M235 HydrophobicContact CD1-CG 3.51Å; L122-M235 HydrophobicContact CD1-SD 3.86Å; L122-M235 HydrophobicContact CD2-CG 4.36Å; L122-M235 HydrophobicContact CG-CG 4.01Å; V123-M235 WeakPolarHBondContact O-CB 3.25Å; V123-M235 PolarHBondContact O-N 3.17Å; C124-M235 HydrophobicContact CB-CB 4.02Å; C124-M235 HydrophobicContact CB-CG 3.95Å; K131-M235 WeakPolarHBondContact CE-O 3.44Å; V154-M235 HydrophobicContact CG2-CE 4.26Å; V154-M235 HydrophobicContact CG2-CG 4.46Å; V154-M235 HydrophobicContact CG2-SD 3.35Å; V154-M235 WeakPolarHBondContact CG2-SD 3.36Å; M235-A255 HydrophobicContact CE-CB 3.86Å; M235-I256 HydrophobicContact CE-CB 4.45Å; M235-I256 HydrophobicContact CE-CG1 3.82Å; M235-I256 HydrophobicContact CG-CG1 4.24Å; M235-T259 HydrophobicContact SD-CG2 3.86Å; M235-T259 PolarHBondContact SD-OG1 3.14Å
236S93.9Very high84.7Confident13 Ų1340.6 Ų40.69%0.09124%0.236CC..PPolyproline II helixtrans-55.1146.7157.6-65.80000110.8V154 N155 V156V154-S236 PolarHBondContact O-OG 3.31Å; N155-S236 WeakPolarHBondContact CA-OG 3.07Å; V156-S236 PolarHBondContact N-OG 3.22Å
237G90.3Very high83.8Confident19 Ų1943 Ų4320%0.19625%0.252CS..PPolyproline II helixtrans-86.3147.316800000111.3G125G125-G237 WeakPolarHBondContact O-CA 3.31Å
238F85.5Confident82.9Confident7 Ų741.3 Ų41.33%0.03125%0.248CC..PPolyproline II helixtrans-92.9152.2164.547.6-90.7000110.1Q126 E127 K249 I256 D273 L276Q126-F238 WeakPolarHBondContact CA-O 3.41Å; Q126-F238 HydrophobicContact CB-CE2 4.36Å; Q126-F238 HydrophobicContact CG-CD2 3.87Å; Q126-F238 HydrophobicContact CG-CE2 3.35Å; Q126-F238 HydrophobicContact CG-CZ 3.98Å; E127-F238 PolarHBondContact N-O 2.79Å; F238-K249 HydrophobicContact CD2-CG 4.18Å; F238-K249 HydrophobicContact CE2-CG 4.31Å; F238-I256 HydrophobicContact CE1-CD1 4.42Å; F238-D273 WeakPolarHBondContact CE2-OD2 3.27Å; F238-D273 WeakPolarHBondContact CZ-OD2 3.38Å; F238-L276 HydrophobicContact CE1-CD2 3.71Å; F238-L276 HydrophobicContact CZ-CD2 3.77Å
239R78.9Confident82.3Confident118 Ų11843.3 Ų43.345%0.44526%0.256SS..PPolyproline II helixtrans-67.4150.2179.4-67.5174.666.3135.3-1.1110.5
240K68.6Low81.8Confident134 Ų13447.4 Ų47.458%0.58327%0.274SS*.SBendtrans-79-30.3-179.9-164.3173.1-172179.30112.6
241D64.6Low81.3Confident104 Ų10451.2 Ų51.256%0.55629%0.29SS*.  trans-83.2124-173.8-57-30.9000110.2S243D241-S243 PolarHBondContact O-N 2.68Å
242D57.3Low81Confident117 Ų11752 Ų5263%0.62630%0.298SS*.G310 helixtrans-7324.6168.1-72.2-36.6000112D244 G245D242-D244 PolarHBondContact O-N 2.9Å; D242-G245 PolarHBondContact O-N 3.12Å
243S62.4Low80.7Confident84 Ų8452.1 Ų52.159%0.58730%0.299SS*.G310 helixtrans-53.5-29.2177.359.30000112D241D241-S243 PolarHBondContact O-N 2.68Å
244D63.2Low80.4Confident88 Ų8854.7 Ų54.747%0.47131%0.311SS..G310 helixtrans-100.323.3-177.4-50.6-9.7000111.5D242 G246 S247D242-D244 PolarHBondContact O-N 2.9Å; D244-G246 VanDerWaalsContact C-N 3.31Å; D244-G246 PolarHBondContact O-N 2.74Å; D244-S247 WeakPolarHBondContact CB-OG 3.45Å; D244-S247 WeakPolarHBondContact O-CB 3.46Å; D244-S247 PolarHBondContact O-N 2.85Å; D244-S247 PolarHBondContact O-OG 2.66Å
245G64.5Low80.2Confident75 Ų7554.8 Ų54.877%0.77331%0.312SS*.THydrogen-bonded Turntrans65.527178.100000114.6D242 S247D242-G245 PolarHBondContact O-N 3.12Å; G245-S247 VanDerWaalsContact C-N 3.29Å; G245-S247 PolarHBondContact O-N 2.99Å
246G68.3Low80.2Confident23 Ų2354.9 Ų54.924%0.23731%0.312CS..THydrogen-bonded Turntrans80.60.9-177.500000115.2D244 S248 K249 E250D244-G246 VanDerWaalsContact C-N 3.31Å; D244-G246 PolarHBondContact O-N 2.74Å; G246-S248 PolarHBondContact O-N 3.41Å; G246-K249 PolarHBondContact O-N 2.68Å; G246-K249 VanDerWaalsContact O-N 3.14Å; G246-E250 PolarHBondContact O-N 3.44Å; G246-E250 VanDerWaalsContact O-N 3.15Å
247S77.2Confident80.2Confident50 Ų5057.1 Ų57.135%0.3532%0.318SS..Hα-helixtrans-60.3-39.9-177.862.20000113.7D244 G245 K249 E250 K251D244-S247 WeakPolarHBondContact CB-OG 3.45Å; D244-S247 WeakPolarHBondContact O-CB 3.46Å; D244-S247 PolarHBondContact O-N 2.85Å; D244-S247 PolarHBondContact O-OG 2.66Å; G245-S247 VanDerWaalsContact C-N 3.29Å; G245-S247 PolarHBondContact O-N 2.99Å; S247-K249 VanDerWaalsContact C-N 3.32Å; S247-K249 PolarHBondContact O-N 3.25Å; S247-E250 PolarHBondContact O-N 3.04Å; S247-K251 VanDerWaalsContact O-CG 3.3Å; S247-K251 WeakPolarHBondContact O-CG 3.37Å; S247-K251 PolarHBondContact O-N 3.36Å
248S80.1Confident80.5Confident19 Ų1956.9 Ų56.913%0.13331%0.313CS..Hα-helixtrans-61.7-39.2176-179.10000112.1G246 G252G246-S248 PolarHBondContact O-N 3.41Å; S248-G252 PolarHBondContact O-N 3.47Å
249K84Confident81.1Confident49 Ų4956.5 Ų56.521%0.21331%0.312CS..Hα-helixtrans-67-46179-170.4177.9-173.3176.90111.4F238 G246 S247 G252 I253F238-K249 HydrophobicContact CD2-CG 4.18Å; F238-K249 HydrophobicContact CE2-CG 4.31Å; G246-K249 PolarHBondContact O-N 2.68Å; G246-K249 VanDerWaalsContact O-N 3.14Å; S247-K249 VanDerWaalsContact C-N 3.32Å; S247-K249 PolarHBondContact O-N 3.25Å; K249-G252 PolarHBondContact O-N 3.31Å; K249-I253 HydrophobicContact CG-CD1 4.26Å; K249-I253 WeakPolarHBondContact O-CG1 3.37Å; K249-I253 PolarHBondContact O-N 2.93Å
250E88.2Confident82Confident86 Ų8651.2 Ų51.240%0.40229%0.293SS..Hα-helixtrans-60.8-47.7176.5179.655.4-146.900111.4G246 S247 G252 I253 Q254 R257G246-E250 PolarHBondContact O-N 3.44Å; G246-E250 VanDerWaalsContact O-N 3.15Å; S247-E250 PolarHBondContact O-N 3.04Å; E250-G252 VanDerWaalsContact C-N 3.28Å; E250-G252 PolarHBondContact O-N 2.82Å; E250-I253 WeakPolarHBondContact O-CB 3.36Å; E250-I253 PolarHBondContact O-N 3.02Å; E250-I253 VanDerWaalsContact O-N 3.11Å; E250-Q254 WeakPolarHBondContact O-CG 3.47Å; E250-Q254 PolarHBondContact O-N 3.49Å; E250-Q254 PolarHBondContact OE1-NE2 3.43Å; E250-R257 IonicContact OE1-NH1 3.29Å
251K88.2Confident83.4Confident85 Ų8548.2 Ų48.237%0.3729%0.293SS..Hα-helixtrans-61.3-37.7176.2-67.2-176.4-174.8-176.70112.2A199 L202 S247 Q254 A255A199-K251 HydrophobicContact CB-CB 4.16Å; A199-K251 HydrophobicContact CB-CD 3.36Å; A199-K251 HydrophobicContact CB-CG 4.4Å; L202-K251 HydrophobicContact CD1-CB 4.03Å; L202-K251 HydrophobicContact CD1-CD 4.35Å; L202-K251 HydrophobicContact CD1-CG 3.91Å; S247-K251 VanDerWaalsContact O-CG 3.3Å; S247-K251 WeakPolarHBondContact O-CG 3.37Å; S247-K251 PolarHBondContact O-N 3.36Å; K251-Q254 PolarHBondContact O-N 3.02Å; K251-A255 PolarHBondContact O-N 2.95Å
252G91.1Very high85Confident18 Ų1844 Ų4419%0.18627%0.273CS..Hα-helixtrans-62.4-41.9172.800000112.9S248 K249 E250 A255 I256S248-G252 PolarHBondContact O-N 3.47Å; K249-G252 PolarHBondContact O-N 3.31Å; E250-G252 VanDerWaalsContact C-N 3.28Å; E250-G252 PolarHBondContact O-N 2.82Å; G252-A255 PolarHBondContact O-N 2.81Å; G252-I256 VanDerWaalsContact O-CG1 3.31Å; G252-I256 WeakPolarHBondContact O-CG1 3.27Å; G252-I256 PolarHBondContact O-N 3.34Å
253I92.9Very high86.9Confident4 Ų438.4 Ų38.42%0.02124%0.243CC..Hα-helixtrans-62.2-43.1174.2-72.1167.5000110.8K249 E250 A255 I256 R257 L276 F279K249-I253 HydrophobicContact CG-CD1 4.26Å; K249-I253 WeakPolarHBondContact O-CG1 3.37Å; K249-I253 PolarHBondContact O-N 2.93Å; E250-I253 WeakPolarHBondContact O-CB 3.36Å; E250-I253 PolarHBondContact O-N 3.02Å; E250-I253 VanDerWaalsContact O-N 3.11Å; I253-A255 VanDerWaalsContact C-N 3.33Å; I253-A255 PolarHBondContact O-N 3.31Å; I253-I256 WeakPolarHBondContact O-CB 3.39Å; I253-I256 PolarHBondContact O-N 2.81Å; I253-I256 VanDerWaalsContact O-N 3.16Å; I253-R257 WeakPolarHBondContact O-CG 3.36Å; I253-R257 PolarHBondContact O-N 3.48Å; I253-L276 HydrophobicContact CD1-CD1 4.26Å; I253-L276 HydrophobicContact CG1-CD1 3.72Å; I253-F279 HydrophobicContact CD1-CD1 4.24Å; I253-F279 HydrophobicContact CD1-CE1 4.2Å; I253-F279 HydrophobicContact CG2-CD1 4.09Å; I253-F279 HydrophobicContact CG2-CE1 3.37Å; I253-F279 HydrophobicContact CG2-CZ 4.05Å
254Q93.1Very high88.6Confident54 Ų5440 Ų4025%0.25224%0.241SC..Hα-helixtrans-61.6-39.3176-65.8-64.5-23.600112.7E250 K251 R257 T258E250-Q254 WeakPolarHBondContact O-CG 3.47Å; E250-Q254 PolarHBondContact O-N 3.49Å; E250-Q254 PolarHBondContact OE1-NE2 3.43Å; K251-Q254 PolarHBondContact O-N 3.02Å; Q254-R257 PolarHBondContact O-N 3.11Å; Q254-T258 WeakPolarHBondContact O-CB 3.22Å; Q254-T258 PolarHBondContact O-N 2.94Å; Q254-T258 PolarHBondContact O-OG1 3.39Å
255A95.2Very high90.2Very high2 Ų236.1 Ų36.12%0.01722%0.221CC..Hα-helixtrans-64-43.1173.200000111.3P198 F205 M235 K251 G252 I253 T258 T259P198-A255 HydrophobicContact CB-CB 4.38Å; F205-A255 HydrophobicContact CD1-CB 4.21Å; F205-A255 HydrophobicContact CE1-CB 3.65Å; F205-A255 HydrophobicContact CZ-CB 4.17Å; M235-A255 HydrophobicContact CE-CB 3.86Å; K251-A255 PolarHBondContact O-N 2.95Å; G252-A255 PolarHBondContact O-N 2.81Å; I253-A255 VanDerWaalsContact C-N 3.33Å; I253-A255 PolarHBondContact O-N 3.31Å; A255-T258 PolarHBondContact O-N 3.18Å; A255-T259 PolarHBondContact O-N 3.14Å; A255-T259 PolarHBondContact O-OG1 3.04Å; A255-T259 VanDerWaalsContact O-OG1 3.09Å
256I96.5Very high91.8Very high3 Ų335.3 Ų35.32%0.01520%0.199CC..Hα-helixtrans-60.1-48.3175.8-67.7165.3000110.9L122 C124 M235 F238 G252 I253 T258 T259 A260 L268 L276 L280L122-I256 HydrophobicContact CD2-CG2 4.07Å; C124-I256 HydrophobicContact CB-CD1 3.79Å; C124-I256 HydrophobicContact CB-CG1 4.05Å; M235-I256 HydrophobicContact CE-CB 4.45Å; M235-I256 HydrophobicContact CE-CG1 3.82Å; M235-I256 HydrophobicContact CG-CG1 4.24Å; F238-I256 HydrophobicContact CE1-CD1 4.42Å; G252-I256 VanDerWaalsContact O-CG1 3.31Å; G252-I256 WeakPolarHBondContact O-CG1 3.27Å; G252-I256 PolarHBondContact O-N 3.34Å; I253-I256 WeakPolarHBondContact O-CB 3.39Å; I253-I256 PolarHBondContact O-N 2.81Å; I253-I256 VanDerWaalsContact O-N 3.16Å; I256-T258 VanDerWaalsContact C-N 3.32Å; I256-T258 PolarHBondContact O-N 2.89Å; I256-T259 PolarHBondContact O-N 3.07Å; I256-A260 VanDerWaalsContact O-CB 3.22Å; I256-A260 WeakPolarHBondContact O-CB 3.42Å; I256-A260 PolarHBondContact O-N 2.91Å; I256-L268 HydrophobicContact CG2-CD1 4.22Å; I256-L276 HydrophobicContact CD1-CD1 4.18Å; I256-L276 HydrophobicContact CD1-CD2 4.05Å; I256-L280 HydrophobicContact CG2-CD1 4.09Å; I256-L280 HydrophobicContact CG2-CD2 3.97Å
257R95.1Very high93.3Very high60 Ų6035.5 Ų35.523%0.22620%0.195CC..Hα-helixtrans-55.3-49.5177.1-76.2172.9167.5157-5.5111.5E250 I253 Q254 T259 A260 A261 D283E250-R257 IonicContact OE1-NH1 3.29Å; I253-R257 WeakPolarHBondContact O-CG 3.36Å; I253-R257 PolarHBondContact O-N 3.48Å; Q254-R257 PolarHBondContact O-N 3.11Å; R257-T259 PolarHBondContact O-N 3.09Å; R257-A260 PolarHBondContact O-N 2.97Å; R257-A261 WeakPolarHBondContact O-CB 3.17Å; R257-A261 PolarHBondContact O-N 3.05Å; R257-D283 WeakPolarHBondContact CG-OD2 3.49Å; R257-D283 IonicContact CZ-OD1 3.96Å; R257-D283 VanDerWaalsContact CZ-OD1 3.29Å; R257-D283 IonicContact CZ-OD2 2.74Å; R257-D283 VanDerWaalsContact NE-CG 3.29Å; R257-D283 IonicContact NE-OD1 2.66Å; R257-D283 PolarHBondContact NE-OD1 3.33Å; R257-D283 IonicContact NE-OD2 3.84Å; R257-D283 PolarHBondContact NE-OD2 2.69Å; R257-D283 IonicContact NH2-OD1 2.7Å; R257-D283 PolarHBondContact NH2-OD1 2.76Å; R257-D283 IonicContact NH2-OD2 3.36Å; R257-D283 PolarHBondContact NH2-OD2 3.5Å
258T95.9Very high94.3Very high14 Ų1433.1 Ų33.19%0.08618%0.179CC..Hα-helixtrans-58.6-49.4179.9-630000111.2R206 V209 Q254 A255 I256 A262R206-T258 HydrophobicContact CB-CG2 3.67Å; R206-T258 HydrophobicContact CG-CG2 3.59Å; V209-T258 HydrophobicContact CG1-CG2 4.39Å; Q254-T258 WeakPolarHBondContact O-CB 3.22Å; Q254-T258 PolarHBondContact O-N 2.94Å; Q254-T258 PolarHBondContact O-OG1 3.39Å; A255-T258 PolarHBondContact O-N 3.18Å; I256-T258 VanDerWaalsContact C-N 3.32Å; I256-T258 PolarHBondContact O-N 2.89Å; T258-A262 VanDerWaalsContact O-CB 3.24Å; T258-A262 WeakPolarHBondContact O-CB 2.97Å; T258-A262 PolarHBondContact O-N 3.42Å
259T98.1Very high95.1Very high0 Ų032.4 Ų32.40%017%0.173CC..Hα-helixtrans-67.6-40.1178.8-550000112.5L122 V154 V209 I233 M235 A255 I256 R257 A261 F263L122-T259 HydrophobicContact CD1-CG2 3.8Å; V154-T259 HydrophobicContact CG2-CG2 4.27Å; V209-T259 HydrophobicContact CG1-CG2 4.33Å; I233-T259 HydrophobicContact CG2-CG2 3.75Å; M235-T259 HydrophobicContact SD-CG2 3.86Å; M235-T259 PolarHBondContact SD-OG1 3.14Å; A255-T259 PolarHBondContact O-N 3.14Å; A255-T259 PolarHBondContact O-OG1 3.04Å; A255-T259 VanDerWaalsContact O-OG1 3.09Å; I256-T259 PolarHBondContact O-N 3.07Å; R257-T259 PolarHBondContact O-N 3.09Å; T259-A261 VanDerWaalsContact C-N 3.35Å; T259-A261 PolarHBondContact O-N 2.91Å; T259-F263 HydrophobicContact CG2-CD2 3.85Å; T259-F263 HydrophobicContact CG2-CE2 4.25Å; T259-F263 WeakPolarHBondContact O-CB 3.47Å; T259-F263 WeakPolarHBondContact O-CD2 3.44Å; T259-F263 PolarHBondContact O-N 2.83Å
260A97.8Very high95.8Very high6 Ų630 Ų305%0.0516%0.163CC..Hα-helixtrans-61.5-42.9177.900000112L122 I256 R257 E264 V265 L284L122-A260 HydrophobicContact CD2-CB 3.97Å; I256-A260 VanDerWaalsContact O-CB 3.22Å; I256-A260 WeakPolarHBondContact O-CB 3.42Å; I256-A260 PolarHBondContact O-N 2.91Å; R257-A260 PolarHBondContact O-N 2.97Å; A260-E264 WeakPolarHBondContact O-CA 3.43Å; A260-E264 PolarHBondContact O-N 2.97Å; A260-V265 HydrophobicContact CB-CG2 3.64Å; A260-V265 PolarHBondContact O-N 3.16Å; A260-V265 VanDerWaalsContact O-N 3.11Å; A260-L284 HydrophobicContact CB-CD2 4.29Å
261A97.1Very high96.2Very high71 Ų7126.1 Ų26.159%0.58715%0.145SC*.Hα-helixtrans-69.8-49.8176.600000111.8R257 T259 F263 E264R257-A261 WeakPolarHBondContact O-CB 3.17Å; R257-A261 PolarHBondContact O-N 3.05Å; T259-A261 VanDerWaalsContact C-N 3.35Å; T259-A261 PolarHBondContact O-N 2.91Å; A261-F263 VanDerWaalsContact C-N 3.26Å; A261-F263 PolarHBondContact O-N 3.01Å; A261-E264 PolarHBondContact O-N 3.25Å
262A98Very high96.5Very high16 Ų1625.5 Ų25.513%0.13214%0.143CC..Hα-helixtrans-56.3-41.5-178.800000112.6V209 N210 A213 T258V209-A262 HydrophobicContact CG1-CB 3.78Å; N210-A262 WeakPolarHBondContact OD1-CB 3.47Å; A213-A262 HydrophobicContact CB-CB 4.05Å; A213-A262 VanDerWaalsContact CB-O 3.26Å; A213-A262 WeakPolarHBondContact CB-O 3.46Å; T258-A262 VanDerWaalsContact O-CB 3.24Å; T258-A262 WeakPolarHBondContact O-CB 2.97Å; T258-A262 PolarHBondContact O-N 3.42Å
263F98.1Very high96.7Very high0 Ų025.3 Ų25.30%014%0.138CC..THydrogen-bonded Turntrans-91.8-3.2179.1-77-86.1000113.6R120 V152 V209 L212 A213 I216 I233 T259 A261 V265R120-F263 WeakPolarHBondContact CD-O 3.48Å; R120-F263 PolarHBondContact NH1-O 3.49Å; V152-F263 HydrophobicContact CB-CZ 4.44Å; V152-F263 HydrophobicContact CG1-CE1 4.47Å; V152-F263 HydrophobicContact CG1-CE2 4.19Å; V152-F263 HydrophobicContact CG1-CZ 3.79Å; V152-F263 HydrophobicContact CG2-CE1 3.83Å; V152-F263 HydrophobicContact CG2-CZ 3.96Å; V209-F263 HydrophobicContact CG1-CE2 4.19Å; L212-F263 HydrophobicContact CD2-CZ 4.17Å; L212-F263 HydrophobicContact CG-CZ 4.22Å; A213-F263 HydrophobicContact CB-CD1 4.12Å; A213-F263 HydrophobicContact CB-CD2 4.1Å; A213-F263 HydrophobicContact CB-CE1 3.97Å; A213-F263 HydrophobicContact CB-CE2 3.96Å; A213-F263 HydrophobicContact CB-CG 4.19Å; A213-F263 HydrophobicContact CB-CZ 3.89Å; I216-F263 HydrophobicContact CD1-CE1 3.6Å; I216-F263 HydrophobicContact CD1-CZ 3.87Å; I216-F263 HydrophobicContact CG2-CE1 4.45Å; I233-F263 HydrophobicContact CD1-CB 3.55Å; I233-F263 HydrophobicContact CD1-CD1 3.85Å; I233-F263 HydrophobicContact CD1-CD2 4.04Å; I233-F263 HydrophobicContact CD1-CG 3.53Å; I233-F263 HydrophobicContact CG1-CG 4.49Å; T259-F263 HydrophobicContact CG2-CD2 3.85Å; T259-F263 HydrophobicContact CG2-CE2 4.25Å; T259-F263 WeakPolarHBondContact O-CB 3.47Å; T259-F263 WeakPolarHBondContact O-CD2 3.44Å; T259-F263 PolarHBondContact O-N 2.83Å; A261-F263 VanDerWaalsContact C-N 3.26Å; A261-F263 PolarHBondContact O-N 3.01Å; F263-V265 HydrophobicContact CB-CG1 3.86Å; F263-V265 PolarHBondContact O-N 2.77Å
264E97.2Very high96.7Very high118 Ų11826 Ų2655%0.55115%0.147SC*.THydrogen-bonded Turntrans4856.2-176.8-58.3176175.200112.1R117 A260 A261R117-E264 IonicContact CZ-OE2 2.79Å; R117-E264 IonicContact NH1-OE2 3.46Å; R117-E264 PolarHBondContact NH1-OE2 3.08Å; R117-E264 PolarHBondContact NH2-O 3.28Å; A260-E264 WeakPolarHBondContact O-CA 3.43Å; A260-E264 PolarHBondContact O-N 2.97Å; A261-E264 PolarHBondContact O-N 3.25Å
265V98.2Very high96.7Very high6 Ų629.3 Ų29.34%0.03616%0.16CC..  trans-67134.1-168.4-60.40000112.2L122 I233 A260 F263 V288L122-V265 HydrophobicContact CB-CB 4.38Å; L122-V265 HydrophobicContact CB-CG1 4Å; I233-V265 HydrophobicContact CD1-CG1 3.88Å; A260-V265 HydrophobicContact CB-CG2 3.64Å; A260-V265 PolarHBondContact O-N 3.16Å; A260-V265 VanDerWaalsContact O-N 3.11Å; F263-V265 HydrophobicContact CB-CG1 3.86Å; F263-V265 PolarHBondContact O-N 2.77Å; V265-V288 HydrophobicContact CG2-CG1 4.28Å
266D98.2Very high96.6Very high58 Ų5829.2 Ų29.231%0.3116%0.159SC..SBendtrans-85.7-30.8178.2-46.9-66.8000111.3R117 P119 R120 T289R117-D266 IonicContact CZ-OD1 3.29Å; R117-D266 IonicContact NH2-OD1 3.58Å; R117-D266 PolarHBondContact NH2-OD1 2.77Å; R117-D266 IonicContact NH2-OD2 3.53Å; P119-D266 WeakPolarHBondContact CA-OD2 2.82Å; R120-D266 PolarHBondContact N-OD2 3.5Å; R120-D266 PolarHBondContact O-N 3.41Å; D266-T289 PolarHBondContact O-N 3.02Å
267T98.4Very high96.6Very high27 Ų2729.2 Ų29.217%0.16616%0.16CC..EExtended strand (participates in β ladder)trans-138.6134.1-175.7-59.50000111.2R120 V121 L122 L269 T289R120-T267 PolarHBondContact O-N 3.47Å; V121-T267 CarbonylContact C-O 3.59Å; V121-T267 VanDerWaalsContact CA-O 3.31Å; V121-T267 WeakPolarHBondContact CA-O 3.43Å; V121-T267 HydrophobicContact CG1-CG2 4.44Å; L122-T267 PolarHBondContact N-O 2.85Å; T267-L269 HydrophobicContact CG2-CD2 3.83Å; T267-L269 HydrophobicContact CG2-CG 4.34Å; T267-T289 CarbonylContact C-O 3.58Å; T267-T289 VanDerWaalsContact CA-O 3.31Å; T267-T289 WeakPolarHBondContact CA-O 3.44Å
268L98.4Very high96.6Very high0 Ų029.1 Ų29.10%017%0.168CC..EExtended strand (participates in β ladder)trans-120.8119.2177.9-162.6156.7000109.7L122 C124 I256 V270 L280 L284 V288 T289 I290 V291L122-L268 HydrophobicContact CB-CG 4.31Å; L122-L268 HydrophobicContact CD2-CD1 4.02Å; L122-L268 HydrophobicContact CD2-CG 4.37Å; L122-L268 CarbonylContact O-C 3.59Å; L122-L268 WeakPolarHBondContact O-CA 3.46Å; C124-L268 WeakPolarHBondContact SG-CD2 3.44Å; I256-L268 HydrophobicContact CG2-CD1 4.22Å; L268-V270 HydrophobicContact CD2-CG2 3.26Å; L268-L280 HydrophobicContact CD1-CD1 3.94Å; L268-L280 HydrophobicContact CD2-CD1 3.67Å; L268-L280 HydrophobicContact CG-CD1 4.49Å; L268-L284 HydrophobicContact CD1-CD1 3.55Å; L268-V288 HydrophobicContact CB-CG1 4.36Å; L268-T289 PolarHBondContact N-O 3.48Å; L268-I290 HydrophobicContact CB-CG1 4.31Å; L268-I290 HydrophobicContact CD2-CG2 4.49Å; L268-I290 WeakPolarHBondContact O-CA 3.35Å; L268-V291 PolarHBondContact O-N 3.03Å
269L98.5Very high96.6Very high3 Ų330.9 Ų30.92%0.01618%0.175CC..EExtended strand (participates in β ladder)trans-101.9106.4-178.8-57.6-177.6000109.2I100 V121 L122 V123 C124 L134 L138 T267 V291 L293I100-L269 HydrophobicContact CD1-CD1 4.22Å; I100-L269 HydrophobicContact CG2-CD1 3.91Å; V121-L269 HydrophobicContact CG1-CD1 3.57Å; V121-L269 HydrophobicContact CG1-CG 3.76Å; L122-L269 PolarHBondContact O-N 3.49Å; V123-L269 WeakPolarHBondContact CA-O 3.49Å; V123-L269 HydrophobicContact CG2-CB 4.3Å; V123-L269 HydrophobicContact CG2-CD1 4.18Å; C124-L269 PolarHBondContact N-O 3.04Å; L134-L269 HydrophobicContact CD2-CD1 4.14Å; L138-L269 HydrophobicContact CD1-CD1 4.47Å; T267-L269 HydrophobicContact CG2-CD2 3.83Å; T267-L269 HydrophobicContact CG2-CG 4.34Å; L269-V291 WeakPolarHBondContact CA-O 3.39Å; L269-V291 HydrophobicContact CD2-CB 3.9Å; L269-V291 HydrophobicContact CD2-CG2 4.3Å; L269-L293 HydrophobicContact CB-CD1 3.87Å; L269-L293 HydrophobicContact CB-CG 4.46Å; L269-L293 HydrophobicContact CD1-CD1 4.2Å; L269-L293 HydrophobicContact CD2-CD1 4.34Å; L269-L293 HydrophobicContact CG-CD1 4.36Å
270V98Very high96.5Very high0 Ų030.9 Ų30.90%018%0.175CC..EExtended strand (participates in β ladder)trans-96.5115.4178.8-177.90000109.8L268 D273 L276 A277 L280 I290 V291 R292 L293L268-V270 HydrophobicContact CD2-CG2 3.26Å; V270-D273 HydrophobicContact CG1-CB 4.15Å; V270-D273 VanDerWaalsContact CG1-O 3.25Å; V270-D273 WeakPolarHBondContact CG1-O 3.44Å; V270-L276 HydrophobicContact CG1-CB 4.18Å; V270-L276 HydrophobicContact CG1-CD2 3.92Å; V270-L276 HydrophobicContact CG1-CG 4.25Å; V270-A277 HydrophobicContact CB-CB 4.02Å; V270-A277 HydrophobicContact CG1-CB 4.06Å; V270-A277 HydrophobicContact CG2-CB 4.05Å; V270-L280 HydrophobicContact CG2-CD1 4.16Å; V270-I290 HydrophobicContact CG2-CG2 4.16Å; V270-V291 PolarHBondContact N-O 2.71Å; V270-R292 CarbonylContact O-C 3.39Å; V270-R292 WeakPolarHBondContact O-CA 3.42Å; V270-L293 PolarHBondContact O-N 3.12Å
271I97.2Very high96.3Very high4 Ų436.9 Ų36.92%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-84.5123178.2-54.6-171.7000110.3V123 C124 V129 K131 L134 D273 L293 K295V123-I271 HydrophobicContact CG1-CD1 4.07Å; V123-I271 HydrophobicContact CG1-CG1 4.34Å; C124-I271 PolarHBondContact O-N 3.11Å; V129-I271 HydrophobicContact CB-CB 4.34Å; V129-I271 HydrophobicContact CB-CG2 3.77Å; V129-I271 HydrophobicContact CG2-CB 3.7Å; V129-I271 HydrophobicContact CG2-CD1 4.18Å; V129-I271 HydrophobicContact CG2-CG1 4.44Å; V129-I271 HydrophobicContact CG2-CG2 3.68Å; K131-I271 HydrophobicContact CB-CD1 4.42Å; K131-I271 HydrophobicContact CG-CD1 3.85Å; L134-I271 HydrophobicContact CD2-CD1 4.37Å; I271-D273 PolarHBondContact O-N 2.94Å; I271-L293 HydrophobicContact CG1-CB 4.5Å; I271-K295 HydrophobicContact CG2-CB 4.18Å
272E94.6Very high96.2Very high71 Ų7141.6 Ų41.633%0.33221%0.206SC..SBendtrans64.8-41.4174.3-163.1-179.3-171.800116.1G274 R292 L293 K295E272-G274 PolarHBondContact O-N 2.9Å; E272-G274 VanDerWaalsContact O-N 3.07Å; E272-R292 VanDerWaalsContact O-CZ 3.23Å; E272-R292 PolarHBondContact O-NE 2.8Å; E272-R292 PolarHBondContact O-NH2 3.38Å; E272-L293 PolarHBondContact N-O 3.33Å; E272-K295 HydrophobicContact CB-CB 3.99Å; E272-K295 HydrophobicContact CG-CB 4.18Å; E272-K295 WeakPolarHBondContact OE2-CD 3.44Å
273D93.4Very high96Very high14 Ų1443.7 Ų43.78%0.07522%0.215CC..  trans-75.796-167.4-164.2-31.5000112.9F238 V270 I271 F275 L276 A277F238-D273 WeakPolarHBondContact CE2-OD2 3.27Å; F238-D273 WeakPolarHBondContact CZ-OD2 3.38Å; V270-D273 HydrophobicContact CG1-CB 4.15Å; V270-D273 VanDerWaalsContact CG1-O 3.25Å; V270-D273 WeakPolarHBondContact CG1-O 3.44Å; I271-D273 PolarHBondContact O-N 2.94Å; D273-F275 VanDerWaalsContact C-N 3.33Å; D273-F275 PolarHBondContact O-N 3.01Å; D273-F275 WeakPolarHBondContact OD1-CB 3.33Å; D273-F275 PolarHBondContact OD1-N 2.88Å; D273-F275 VanDerWaalsContact OD1-N 3.12Å; D273-L276 HydrophobicContact CB-CB 3.87Å; D273-L276 VanDerWaalsContact CG-CB 3.5Å; D273-L276 PolarHBondContact OD1-N 3.44Å; D273-A277 WeakPolarHBondContact O-CB 3.22Å; D273-A277 PolarHBondContact O-N 2.87Å
274G93.4Very high95.8Very high20 Ų2044.9 Ų44.921%0.20622%0.221CC..Hα-helixtrans-69.1-28.4178.900000114E272 S278E272-G274 PolarHBondContact O-N 2.9Å; E272-G274 VanDerWaalsContact O-N 3.07Å; G274-S278 WeakPolarHBondContact O-CB 3.48Å; G274-S278 PolarHBondContact O-N 2.95Å; G274-S278 VanDerWaalsContact O-N 3.1Å; G274-S278 PolarHBondContact O-OG 2.84Å
275F92.7Very high95.7Very high123 Ų12342.8 Ų42.854%0.53922%0.218SC..Hα-helixtrans-68.8-50.3175.3175-88.1000109.8D273 A277 S278 F279D273-F275 VanDerWaalsContact C-N 3.33Å; D273-F275 PolarHBondContact O-N 3.01Å; D273-F275 WeakPolarHBondContact OD1-CB 3.33Å; D273-F275 PolarHBondContact OD1-N 2.88Å; D273-F275 VanDerWaalsContact OD1-N 3.12Å; F275-A277 VanDerWaalsContact C-N 3.29Å; F275-A277 PolarHBondContact O-N 2.8Å; F275-S278 PolarHBondContact O-N 2.97Å; F275-S278 VanDerWaalsContact O-N 3.11Å; F275-F279 HydrophobicContact CE1-CB 4.45Å; F275-F279 WeakPolarHBondContact O-CB 3.3Å; F275-F279 PolarHBondContact O-N 3.37Å
276L94.4Very high95.6Very high0 Ų048.3 Ų48.30%025%0.254CS..Hα-helixtrans-57.8-43.8177-178.269000111.1F238 I253 I256 V270 D273 S278 F279 L280F238-L276 HydrophobicContact CE1-CD2 3.71Å; F238-L276 HydrophobicContact CZ-CD2 3.77Å; I253-L276 HydrophobicContact CD1-CD1 4.26Å; I253-L276 HydrophobicContact CG1-CD1 3.72Å; I256-L276 HydrophobicContact CD1-CD1 4.18Å; I256-L276 HydrophobicContact CD1-CD2 4.05Å; V270-L276 HydrophobicContact CG1-CB 4.18Å; V270-L276 HydrophobicContact CG1-CD2 3.92Å; V270-L276 HydrophobicContact CG1-CG 4.25Å; D273-L276 HydrophobicContact CB-CB 3.87Å; D273-L276 VanDerWaalsContact CG-CB 3.5Å; D273-L276 PolarHBondContact OD1-N 3.44Å; L276-S278 VanDerWaalsContact C-N 3.29Å; L276-S278 PolarHBondContact O-N 2.85Å; L276-F279 PolarHBondContact O-N 3.34Å; L276-L280 HydrophobicContact CD1-CD1 3.87Å; L276-L280 HydrophobicContact CD1-CD2 4.45Å; L276-L280 HydrophobicContact CD1-CG 3.94Å; L276-L280 HydrophobicContact CD2-CD1 4.26Å; L276-L280 HydrophobicContact CG-CD1 3.71Å; L276-L280 HydrophobicContact CG-CG 4.16Å; L276-L280 WeakPolarHBondContact O-CB 3.46Å; L276-L280 VanDerWaalsContact O-CG 3.26Å; L276-L280 WeakPolarHBondContact O-CG 3.31Å; L276-L280 PolarHBondContact O-N 3.26Å
277A96.3Very high95.5Very high3 Ų352.5 Ų52.53%0.02527%0.272CS..Hα-helixtrans-63.6-32.7178.600000113.5V270 D273 F275 R281 I290 R292V270-A277 HydrophobicContact CB-CB 4.02Å; V270-A277 HydrophobicContact CG1-CB 4.06Å; V270-A277 HydrophobicContact CG2-CB 4.05Å; D273-A277 WeakPolarHBondContact O-CB 3.22Å; D273-A277 PolarHBondContact O-N 2.87Å; F275-A277 VanDerWaalsContact C-N 3.29Å; F275-A277 PolarHBondContact O-N 2.8Å; A277-R281 WeakPolarHBondContact O-CB 3.3Å; A277-R281 PolarHBondContact O-N 2.86Å; A277-R281 PolarHBondContact O-NH1 2.89Å; A277-I290 HydrophobicContact CB-CG2 4.46Å; A277-R292 HydrophobicContact CB-CB 4.31Å
278S95.5Very high95.5Very high57 Ų5752.4 Ų52.440%0.39927%0.271SS..Hα-helixtrans-77.1-46.3177.4-54.10000110.7G274 F275 L276 L280 R281 E282G274-S278 WeakPolarHBondContact O-CB 3.48Å; G274-S278 PolarHBondContact O-N 2.95Å; G274-S278 VanDerWaalsContact O-N 3.1Å; G274-S278 PolarHBondContact O-OG 2.84Å; F275-S278 PolarHBondContact O-N 2.97Å; F275-S278 VanDerWaalsContact O-N 3.11Å; L276-S278 VanDerWaalsContact C-N 3.29Å; L276-S278 PolarHBondContact O-N 2.85Å; S278-L280 PolarHBondContact O-N 3.46Å; S278-R281 WeakPolarHBondContact O-CB 3.35Å; S278-R281 PolarHBondContact O-N 2.94Å; S278-R281 VanDerWaalsContact O-N 3.12Å; S278-E282 PolarHBondContact O-N 2.59Å
279F94.4Very high95.4Very high51 Ų5156.2 Ų56.222%0.22429%0.294CS..Hα-helixtrans-56.2-50.6175.8-178.3-86.1000112.1I253 F275 L276 R281 E282 D283I253-F279 HydrophobicContact CD1-CD1 4.24Å; I253-F279 HydrophobicContact CD1-CE1 4.2Å; I253-F279 HydrophobicContact CG2-CD1 4.09Å; I253-F279 HydrophobicContact CG2-CE1 3.37Å; I253-F279 HydrophobicContact CG2-CZ 4.05Å; F275-F279 HydrophobicContact CE1-CB 4.45Å; F275-F279 WeakPolarHBondContact O-CB 3.3Å; F275-F279 PolarHBondContact O-N 3.37Å; L276-F279 PolarHBondContact O-N 3.34Å; F279-R281 PolarHBondContact O-N 2.63Å; F279-E282 PolarHBondContact O-N 3.34Å; F279-D283 HydrophobicContact CE1-CB 4.3Å; F279-D283 VanDerWaalsContact O-CB 3.3Å; F279-D283 WeakPolarHBondContact O-CB 3.28Å; F279-D283 PolarHBondContact O-N 3.44Å; F279-D283 VanDerWaalsContact O-N 3.08Å
280L95.7Very high95.4Very high0 Ų057.1 Ų57.10%030%0.299CS..Hα-helixtrans-64.8-24.7179.9-68.5175.4000112.8I256 L268 V270 L276 S278 D283 L284 I290I256-L280 HydrophobicContact CG2-CD1 4.09Å; I256-L280 HydrophobicContact CG2-CD2 3.97Å; L268-L280 HydrophobicContact CD1-CD1 3.94Å; L268-L280 HydrophobicContact CD2-CD1 3.67Å; L268-L280 HydrophobicContact CG-CD1 4.49Å; V270-L280 HydrophobicContact CG2-CD1 4.16Å; L276-L280 HydrophobicContact CD1-CD1 3.87Å; L276-L280 HydrophobicContact CD1-CD2 4.45Å; L276-L280 HydrophobicContact CD1-CG 3.94Å; L276-L280 HydrophobicContact CD2-CD1 4.26Å; L276-L280 HydrophobicContact CG-CD1 3.71Å; L276-L280 HydrophobicContact CG-CG 4.16Å; L276-L280 WeakPolarHBondContact O-CB 3.46Å; L276-L280 VanDerWaalsContact O-CG 3.26Å; L276-L280 WeakPolarHBondContact O-CG 3.31Å; L276-L280 PolarHBondContact O-N 3.26Å; S278-L280 PolarHBondContact O-N 3.46Å; L280-D283 PolarHBondContact O-N 3.11Å; L280-L284 HydrophobicContact CB-CD1 4.25Å; L280-L284 HydrophobicContact CD2-CD1 4.42Å; L280-L284 VanDerWaalsContact O-CB 3.26Å; L280-L284 WeakPolarHBondContact O-CB 3.5Å; L280-L284 WeakPolarHBondContact O-CG 3.47Å; L280-L284 PolarHBondContact O-N 3.25Å; L280-I290 HydrophobicContact CB-CD1 3.86Å; L280-I290 VanDerWaalsContact O-CD1 3.28Å; L280-I290 WeakPolarHBondContact O-CD1 3.27Å
281R95.4Very high95.4Very high132 Ų13259.8 Ų59.850%0.49832%0.315SS..Hα-helixtrans-73.9-32.4176.8-171.5178.5-62.198.96.8112.7A277 S278 F279 I290A277-R281 WeakPolarHBondContact O-CB 3.3Å; A277-R281 PolarHBondContact O-N 2.86Å; A277-R281 PolarHBondContact O-NH1 2.89Å; S278-R281 WeakPolarHBondContact O-CB 3.35Å; S278-R281 PolarHBondContact O-N 2.94Å; S278-R281 VanDerWaalsContact O-N 3.12Å; F279-R281 PolarHBondContact O-N 2.63Å; R281-I290 VanDerWaalsContact CA-CD1 3.45Å; R281-I290 HydrophobicContact CB-CD1 3.97Å
282E94.5Very high95.4Very high170 Ų17066.8 Ų66.879%0.79434%0.341SS*.Hα-helixtrans-78.2-27.8174.2-66.9174.8-175.800111.5S278 F279S278-E282 PolarHBondContact O-N 2.59Å; F279-E282 PolarHBondContact O-N 3.34Å
283D92.5Very high95.5Very high60 Ų6064 Ų6432%0.32133%0.328SS..Hα-helixtrans-93.2-31.6-171.1-17569.2000115.1R257 F279 L280R257-D283 WeakPolarHBondContact CG-OD2 3.49Å; R257-D283 IonicContact CZ-OD1 3.96Å; R257-D283 VanDerWaalsContact CZ-OD1 3.29Å; R257-D283 IonicContact CZ-OD2 2.74Å; R257-D283 VanDerWaalsContact NE-CG 3.29Å; R257-D283 IonicContact NE-OD1 2.66Å; R257-D283 PolarHBondContact NE-OD1 3.33Å; R257-D283 IonicContact NE-OD2 3.84Å; R257-D283 PolarHBondContact NE-OD2 2.69Å; R257-D283 IonicContact NH2-OD1 2.7Å; R257-D283 PolarHBondContact NH2-OD1 2.76Å; R257-D283 IonicContact NH2-OD2 3.36Å; R257-D283 PolarHBondContact NH2-OD2 3.5Å; F279-D283 HydrophobicContact CE1-CB 4.3Å; F279-D283 VanDerWaalsContact O-CB 3.3Å; F279-D283 WeakPolarHBondContact O-CB 3.28Å; F279-D283 PolarHBondContact O-N 3.44Å; F279-D283 VanDerWaalsContact O-N 3.08Å; L280-D283 PolarHBondContact O-N 3.11Å
284L94.7Very high95.7Very high26 Ų2664.7 Ų64.714%0.13633%0.334CS..SBendtrans-95159.4-178-64.8176.5000112.1A260 L268 L280 V288 I290A260-L284 HydrophobicContact CB-CD2 4.29Å; L268-L284 HydrophobicContact CD1-CD1 3.55Å; L280-L284 HydrophobicContact CB-CD1 4.25Å; L280-L284 HydrophobicContact CD2-CD1 4.42Å; L280-L284 VanDerWaalsContact O-CB 3.26Å; L280-L284 WeakPolarHBondContact O-CB 3.5Å; L280-L284 WeakPolarHBondContact O-CG 3.47Å; L280-L284 PolarHBondContact O-N 3.25Å; L284-V288 HydrophobicContact CD1-CG1 4.39Å; L284-I290 HydrophobicContact CD1-CD1 4.3Å
285P95.6Very high95.7Very high73 Ų7365.7 Ų65.747%0.47433%0.333SS..  trans-55.2144.1175.9-24.534000112.6E287 V288P285-E287 VanDerWaalsContact CB-OE2 3.27Å; P285-E287 WeakPolarHBondContact CB-OE2 3.28Å; P285-E287 PolarHBondContact O-N 2.94Å; P285-E287 VanDerWaalsContact O-N 3.1Å; P285-V288 HydrophobicContact CB-CG2 4.36Å; P285-V288 WeakPolarHBondContact O-CB 3.26Å; P285-V288 PolarHBondContact O-N 2.98Å
286P95.5Very high95.5Very high123 Ų12360.7 Ų60.780%0.79931%0.313SS*.THydrogen-bonded Turntrans-64.2-17.3-175.326.6-35000114V288P286-V288 VanDerWaalsContact C-N 3.29Å
287E96.3Very high95.1Very high146 Ų14663.8 Ų63.868%0.68233%0.334SS*.THydrogen-bonded Turntrans-72.2-22.7175.1-59.475.6-163.500112.6P285 T289P285-E287 VanDerWaalsContact CB-OE2 3.27Å; P285-E287 WeakPolarHBondContact CB-OE2 3.28Å; P285-E287 PolarHBondContact O-N 2.94Å; P285-E287 VanDerWaalsContact O-N 3.1Å; E287-T289 PolarHBondContact O-N 2.78Å
288V97.7Very high94.6Very high25 Ų2565 Ų6515%0.15235%0.347CS..SBendtrans-74.7118.2-179.8-176.70000109.7V265 L268 L284 P285 P286 I290V265-V288 HydrophobicContact CG2-CG1 4.28Å; L268-V288 HydrophobicContact CB-CG1 4.36Å; L284-V288 HydrophobicContact CD1-CG1 4.39Å; P285-V288 HydrophobicContact CB-CG2 4.36Å; P285-V288 WeakPolarHBondContact O-CB 3.26Å; P285-V288 PolarHBondContact O-N 2.98Å; P286-V288 VanDerWaalsContact C-N 3.29Å; V288-I290 HydrophobicContact CG1-CG1 4.42Å; V288-I290 PolarHBondContact O-N 3.26Å
289T97.8Very high94.3Very high79 Ų7963.2 Ų63.249%0.48534%0.336SS..EExtended strand (participates in β ladder)trans-79113.8179.5-61.90000110.7D266 T267 L268 E287 V291D266-T289 PolarHBondContact O-N 3.02Å; T267-T289 CarbonylContact C-O 3.58Å; T267-T289 VanDerWaalsContact CA-O 3.31Å; T267-T289 WeakPolarHBondContact CA-O 3.44Å; L268-T289 PolarHBondContact N-O 3.48Å; E287-T289 PolarHBondContact O-N 2.78Å; T289-V291 HydrophobicContact CG2-CG2 3.99Å
290I97.9Very high93.9Very high22 Ų2264.3 Ų64.311%0.11334%0.343CS..EExtended strand (participates in β ladder)trans-104.5116.5179.5-55.2-177000111L268 V270 A277 L280 R281 L284 V288L268-I290 HydrophobicContact CB-CG1 4.31Å; L268-I290 HydrophobicContact CD2-CG2 4.49Å; L268-I290 WeakPolarHBondContact O-CA 3.35Å; V270-I290 HydrophobicContact CG2-CG2 4.16Å; A277-I290 HydrophobicContact CB-CG2 4.46Å; L280-I290 HydrophobicContact CB-CD1 3.86Å; L280-I290 VanDerWaalsContact O-CD1 3.28Å; L280-I290 WeakPolarHBondContact O-CD1 3.27Å; R281-I290 VanDerWaalsContact CA-CD1 3.45Å; R281-I290 HydrophobicContact CB-CD1 3.97Å; L284-I290 HydrophobicContact CD1-CD1 4.3Å; V288-I290 HydrophobicContact CG1-CG1 4.42Å; V288-I290 PolarHBondContact O-N 3.26Å
291V97.6Very high93.5Very high56 Ų5669.1 Ų69.134%0.33937%0.373SS..EExtended strand (participates in β ladder)trans-116.5126.4-179.3-171.20000110L268 L269 V270 T289 L293L268-V291 PolarHBondContact O-N 3.03Å; L269-V291 WeakPolarHBondContact CA-O 3.39Å; L269-V291 HydrophobicContact CD2-CB 3.9Å; L269-V291 HydrophobicContact CD2-CG2 4.3Å; V270-V291 PolarHBondContact N-O 2.71Å; T289-V291 HydrophobicContact CG2-CG2 3.99Å; V291-L293 HydrophobicContact CG1-CD2 3.77Å
292R97.3Very high93.1Very high152 Ų15266.8 Ų66.857%0.57436%0.364SS*.EExtended strand (participates in β ladder)trans-87129.3170.6-175.4-176.7176-158.2-3.3109.7V270 E272 A277V270-R292 CarbonylContact O-C 3.39Å; V270-R292 WeakPolarHBondContact O-CA 3.42Å; E272-R292 VanDerWaalsContact O-CZ 3.23Å; E272-R292 PolarHBondContact O-NE 2.8Å; E272-R292 PolarHBondContact O-NH2 3.38Å; A277-R292 HydrophobicContact CB-CB 4.31Å
293L97.5Very high92.8Very high11 Ų1161 Ų616%0.05834%0.342CS..EExtended strand (participates in β ladder)trans-110.8150.4-179.6-56.4-175.4000111.4V96 I100 L134 L269 V270 I271 E272 V291V96-L293 HydrophobicContact CG1-CD2 3.82Å; I100-L293 HydrophobicContact CD1-CD1 3.59Å; I100-L293 HydrophobicContact CD1-CD2 3.83Å; I100-L293 HydrophobicContact CD1-CG 4.39Å; L134-L293 HydrophobicContact CD2-CD1 3.67Å; L269-L293 HydrophobicContact CB-CD1 3.87Å; L269-L293 HydrophobicContact CB-CG 4.46Å; L269-L293 HydrophobicContact CD1-CD1 4.2Å; L269-L293 HydrophobicContact CD2-CD1 4.34Å; L269-L293 HydrophobicContact CG-CD1 4.36Å; V270-L293 PolarHBondContact O-N 3.12Å; I271-L293 HydrophobicContact CG1-CB 4.5Å; E272-L293 PolarHBondContact N-O 3.33Å; V291-L293 HydrophobicContact CG1-CD2 3.77Å
294P96Very high92.6Very high30 Ų3062.8 Ų62.820%0.19536%0.357CS..PPolyproline II helixtrans-65.9152.3168.828.9-34.4000111.3Q91 I93 V96Q91-P294 HydrophobicContact CB-CB 3.8Å; Q91-P294 HydrophobicContact CB-CG 4.3Å; Q91-P294 HydrophobicContact CG-CB 4.47Å; I93-P294 HydrophobicContact CD1-CG 3.91Å; V96-P294 HydrophobicContact CG2-CG 4.03Å
295K93.9Very high92.5Very high41 Ų4166.7 Ų66.718%0.17838%0.378CS..PPolyproline II helixtrans-82.8132.2167.7168.9173.6175.8-175.80109V129 I271 E272 S297 A299V129-K295 HydrophobicContact CB-CD 4.2Å; V129-K295 HydrophobicContact CB-CG 4.38Å; V129-K295 HydrophobicContact CG1-CD 4.06Å; I271-K295 HydrophobicContact CG2-CB 4.18Å; E272-K295 HydrophobicContact CB-CB 3.99Å; E272-K295 HydrophobicContact CG-CB 4.18Å; E272-K295 WeakPolarHBondContact OE2-CD 3.44Å; K295-S297 PolarHBondContact O-N 2.93Å; K295-A299 HydrophobicContact CD-CB 4.48Å; K295-A299 WeakPolarHBondContact CE-O 3.33Å; K295-A299 HydrophobicContact CG-CB 4.14Å
296S87.9Confident92.2Very high17 Ų1766.4 Ų66.412%0.11937%0.37CS..PPolyproline II helixtrans-61.8132.1169.5175.30000110R26 G298 A299R26-S296 PolarHBondContact NH2-OG 2.93Å; R26-S296 VanDerWaalsContact NH2-OG 3.16Å; S296-G298 PolarHBondContact O-N 3.29Å; S296-G298 PolarHBondContact OG-N 3.22Å; S296-A299 VanDerWaalsContact O-CB 3.27Å; S296-A299 WeakPolarHBondContact O-CB 3.49Å; S296-A299 PolarHBondContact O-N 3.38Å
297S87.6Confident91.9Very high65 Ų6561.7 Ų61.746%0.45534%0.337SS..THydrogen-bonded Turntrans-62.8-7.2174.859.30000113.6R26 D90 K295 A299R26-S297 PolarHBondContact NH1-O 3.31Å; R26-S297 PolarHBondContact NH1-OG 2.95Å; R26-S297 PolarHBondContact NH2-OG 3.42Å; D90-S297 VanDerWaalsContact CG-OG 3.23Å; D90-S297 WeakPolarHBondContact OD1-CB 3.29Å; D90-S297 PolarHBondContact OD1-N 3.4Å; D90-S297 PolarHBondContact OD1-OG 2.79Å; K295-S297 PolarHBondContact O-N 2.93Å; S297-A299 VanDerWaalsContact C-N 3.34Å
298G85.8Confident91.7Very high29 Ų2958 Ų5830%0.29932%0.324SS..THydrogen-bonded Turntrans-88.6-10.7178.500000112.2R26 S296 I300R26-G298 VanDerWaalsContact CZ-N 3.26Å; S296-G298 PolarHBondContact O-N 3.29Å; S296-G298 PolarHBondContact OG-N 3.22Å; G298-I300 PolarHBondContact O-N 3.38Å
299A88.2Confident91.5Very high19 Ų1965.1 Ų65.116%0.15735%0.348CS..  trans-80.7112.3177.500000109.6S128 K295 S296 S297S128-A299 WeakPolarHBondContact O-CB 3.5Å; K295-A299 HydrophobicContact CD-CB 4.48Å; K295-A299 WeakPolarHBondContact CE-O 3.33Å; K295-A299 HydrophobicContact CG-CB 4.14Å; S296-A299 VanDerWaalsContact O-CB 3.27Å; S296-A299 WeakPolarHBondContact O-CB 3.49Å; S296-A299 PolarHBondContact O-N 3.38Å; S297-A299 VanDerWaalsContact C-N 3.34Å
300I86.7Confident91.2Very high75 Ų7564.3 Ų64.339%0.38534%0.339SS..  trans-112.8134.8-172.9-64.7161.7000109.2R62 S128 G298 R302R62-I300 VanDerWaalsContact NH1-CB 3.3Å; R62-I300 VanDerWaalsContact NH1-CG2 3.27Å; S128-I300 VanDerWaalsContact CB-O 3.23Å; S128-I300 WeakPolarHBondContact CB-O 3.3Å; G298-I300 PolarHBondContact O-N 3.38Å; I300-R302 PolarHBondContact O-N 3.34Å
301T86.8Confident91Very high101 Ų10165.9 Ų65.962%0.6234%0.344SS*.PPolyproline II helixtrans-61.3130.1172.8-52.30000109.8
302R87.5Confident90.8Very high83 Ų8365.8 Ų65.831%0.31334%0.341SS..PPolyproline II helixtrans-97.4140.1-177.5-64176-167.3126-5.6110.8S128 I300 Q306 W307S128-R302 PolarHBondContact OG-NH1 2.83Å; I300-R302 PolarHBondContact O-N 3.34Å; R302-Q306 VanDerWaalsContact CA-OE1 3.26Å; R302-Q306 HydrophobicContact CB-CB 4.11Å; R302-W307 HydrophobicContact CB-CD2 4.43Å; R302-W307 HydrophobicContact CB-CG 4.34Å; R302-W307 PolarHBondContact O-NE1 2.95Å
303S88.7Confident90.6Very high48 Ų4861.3 Ų61.334%0.33634%0.337SS..PPolyproline II helixtrans-71.9160.3169.571.90000111.1D305 Q306 W307S303-D305 PolarHBondContact O-N 3.49Å; S303-Q306 WeakPolarHBondContact O-CB 3.19Å; S303-Q306 PolarHBondContact O-N 3.41Å; S303-Q306 WeakPolarHBondContact OG-CG 3.3Å; S303-Q306 PolarHBondContact OG-N 2.95Å; S303-W307 PolarHBondContact O-N 2.77Å
304P88.2Confident90.4Very high98 Ų9863.3 Ų63.364%0.63634%0.344SS*.Hα-helixtrans-52.2-40.9173.6-28.336.4000113.3Q306 W307 T308P304-Q306 PolarHBondContact O-N 3.48Å; P304-W307 WeakPolarHBondContact O-CB 3.45Å; P304-W307 PolarHBondContact O-N 2.95Å; P304-T308 PolarHBondContact O-N 2.91Å; P304-T308 PolarHBondContact O-OG1 3.33Å
305D90.9Very high90.4Very high108 Ų10861.9 Ų61.958%0.57833%0.334SS*.Hα-helixtrans-64.7-38.5177.5-63.1-24.9000112.6S303 W307 T308 R309S303-D305 PolarHBondContact O-N 3.49Å; D305-W307 VanDerWaalsContact C-N 3.33Å; D305-T308 PolarHBondContact O-N 3.37Å; D305-R309 VanDerWaalsContact O-CG 3.31Å; D305-R309 WeakPolarHBondContact O-CG 3.24Å; D305-R309 PolarHBondContact O-N 2.99Å
306Q89.5Confident90.4Very high66 Ų6661 Ų6131%0.30833%0.333SS..Hα-helixtrans-66.4-37.6175.8-73.4173.1-28.800111.3R302 S303 P304 Q310R302-Q306 VanDerWaalsContact CA-OE1 3.26Å; R302-Q306 HydrophobicContact CB-CB 4.11Å; S303-Q306 WeakPolarHBondContact O-CB 3.19Å; S303-Q306 PolarHBondContact O-N 3.41Å; S303-Q306 WeakPolarHBondContact OG-CG 3.3Å; S303-Q306 PolarHBondContact OG-N 2.95Å; P304-Q306 PolarHBondContact O-N 3.48Å; Q306-Q310 WeakPolarHBondContact O-CG 3.26Å; Q306-Q310 PolarHBondContact O-N 3.43Å
307W90.5Very high90.6Very high25 Ų2561.1 Ų61.110%0.09534%0.335CS..Hα-helixtrans-61.8-47.8172.7-77.6109.8000111.8E127 S128 L158 R302 S303 P304 D305 Q310 R311E127-W307 HydrophobicContact CB-CZ2 4.04Å; E127-W307 HydrophobicContact CG-CH2 4.45Å; E127-W307 HydrophobicContact CG-CZ2 4.12Å; S128-W307 WeakPolarHBondContact OG-CZ2 3.45Å; L158-W307 HydrophobicContact CB-CZ3 4.12Å; L158-W307 HydrophobicContact CD1-CE3 3.35Å; L158-W307 HydrophobicContact CD1-CH2 4.22Å; L158-W307 HydrophobicContact CD1-CZ3 3.17Å; L158-W307 HydrophobicContact CG-CE3 3.66Å; L158-W307 HydrophobicContact CG-CZ3 3.5Å; L158-W307 VanDerWaalsContact CG-CZ3 3.5Å; R302-W307 HydrophobicContact CB-CD2 4.43Å; R302-W307 HydrophobicContact CB-CG 4.34Å; R302-W307 PolarHBondContact O-NE1 2.95Å; S303-W307 PolarHBondContact O-N 2.77Å; P304-W307 WeakPolarHBondContact O-CB 3.45Å; P304-W307 PolarHBondContact O-N 2.95Å; D305-W307 VanDerWaalsContact C-N 3.33Å; W307-Q310 PolarHBondContact O-N 3.48Å; W307-R311 WeakPolarHBondContact O-CG 3.3Å; W307-R311 PolarHBondContact O-N 3.15Å
308T92.4Very high91Very high68 Ų6861.2 Ų61.242%0.41733%0.326SS..Hα-helixtrans-58.4-49.5176.8-57.80000111.2P304 D305 Q310 R311 D312P304-T308 PolarHBondContact O-N 2.91Å; P304-T308 PolarHBondContact O-OG1 3.33Å; D305-T308 PolarHBondContact O-N 3.37Å; T308-Q310 VanDerWaalsContact C-N 3.3Å; T308-Q310 PolarHBondContact O-N 2.89Å; T308-R311 WeakPolarHBondContact O-CB 3.41Å; T308-R311 PolarHBondContact O-N 3.41Å; T308-R311 VanDerWaalsContact O-N 3.08Å; T308-D312 PolarHBondContact O-N 3.47Å
309R91.8Very high91.4Very high175 Ų17560 Ų6066%0.6631%0.312SS*.Hα-helixtrans-59.2-38.3177.9-71.5176.1-168.8174.25113.3D305 D312 A313D305-R309 VanDerWaalsContact O-CG 3.31Å; D305-R309 WeakPolarHBondContact O-CG 3.24Å; D305-R309 PolarHBondContact O-N 2.99Å; R309-D312 PolarHBondContact O-N 2.7Å; R309-A313 WeakPolarHBondContact O-CB 3.38Å; R309-A313 PolarHBondContact O-N 3.33Å
310Q91.8Very high91.7Very high62 Ų6259.1 Ų59.129%0.2931%0.305SS..Hα-helixtrans-69.4-35.8177.2-75.8-178.30.400112.2L158 Q306 W307 T308 A313 R314L158-Q310 HydrophobicContact CD1-CB 3.99Å; L158-Q310 HydrophobicContact CD2-CB 3.9Å; Q306-Q310 WeakPolarHBondContact O-CG 3.26Å; Q306-Q310 PolarHBondContact O-N 3.43Å; W307-Q310 PolarHBondContact O-N 3.48Å; T308-Q310 VanDerWaalsContact C-N 3.3Å; T308-Q310 PolarHBondContact O-N 2.89Å; Q310-A313 PolarHBondContact O-N 3.34Å; Q310-R314 WeakPolarHBondContact O-CG 3.24Å; Q310-R314 PolarHBondContact O-N 2.95Å
311R94.6Very high91.9Very high55 Ų5556 Ų5621%0.20829%0.292CS..Hα-helixtrans-63.8-47.3173.8-69.2169.7-179.3158.1-1.1110.5G157 L158 P164 W307 T308 A313 R314 V315G157-R311 PolarHBondContact O-NE 3.02Å; G157-R311 VanDerWaalsContact O-NE 3.1Å; L158-R311 HydrophobicContact CD2-CB 4.45Å; L158-R311 HydrophobicContact CD2-CG 3.62Å; P164-R311 HydrophobicContact CB-CB 4.42Å; P164-R311 HydrophobicContact CB-CG 4.04Å; P164-R311 HydrophobicContact CG-CB 3.75Å; P164-R311 HydrophobicContact CG-CG 3.67Å; W307-R311 WeakPolarHBondContact O-CG 3.3Å; W307-R311 PolarHBondContact O-N 3.15Å; T308-R311 WeakPolarHBondContact O-CB 3.41Å; T308-R311 PolarHBondContact O-N 3.41Å; T308-R311 VanDerWaalsContact O-N 3.08Å; R311-A313 VanDerWaalsContact C-N 3.32Å; R311-A313 PolarHBondContact O-N 2.81Å; R311-R314 PolarHBondContact O-N 2.99Å; R311-R314 VanDerWaalsContact O-N 3.14Å; R311-V315 WeakPolarHBondContact O-CG2 3.46Å; R311-V315 PolarHBondContact O-N 2.66Å
312D94.3Very high91.9Very high54 Ų5453.9 Ų53.929%0.28928%0.275SS..Hα-helixtrans-60.5-42.8177.1-62.9-19.7000111.3T308 R309 R314 V315 C316 Y436T308-D312 PolarHBondContact O-N 3.47Å; R309-D312 PolarHBondContact O-N 2.7Å; D312-R314 VanDerWaalsContact C-N 3.31Å; D312-R314 PolarHBondContact O-N 2.79Å; D312-V315 PolarHBondContact O-N 2.88Å; D312-C316 VanDerWaalsContact O-CB 3.26Å; D312-C316 WeakPolarHBondContact O-CB 3.37Å; D312-C316 PolarHBondContact O-N 3.08Å; D312-Y436 HydrophobicContact CB-CD2 4.43Å
313A92.1Very high91.9Very high58 Ų5850.9 Ų50.948%0.47927%0.265SS..Hα-helixtrans-61.5-37.3176.400000112.6R309 Q310 R311 A317R309-A313 WeakPolarHBondContact O-CB 3.38Å; R309-A313 PolarHBondContact O-N 3.33Å; Q310-A313 PolarHBondContact O-N 3.34Å; R311-A313 VanDerWaalsContact C-N 3.32Å; R311-A313 PolarHBondContact O-N 2.81Å; A313-A317 VanDerWaalsContact O-CB 3.28Å; A313-A317 WeakPolarHBondContact O-CB 3.44Å; A313-A317 PolarHBondContact O-N 3.09Å
314R93.7Very high91.4Very high53 Ų5350.9 Ų50.920%0.226%0.264CS..Hα-helixtrans-69.8-39.4175.8-71.3-58.2-61.8163.61.8112.5C162 P164 Q310 R311 D312 A317 Y318 E322C162-R314 PolarHBondContact O-NH2 2.95Å; P164-R314 HydrophobicContact CG-CB 4.4Å; Q310-R314 WeakPolarHBondContact O-CG 3.24Å; Q310-R314 PolarHBondContact O-N 2.95Å; R311-R314 PolarHBondContact O-N 2.99Å; R311-R314 VanDerWaalsContact O-N 3.14Å; D312-R314 VanDerWaalsContact C-N 3.31Å; D312-R314 PolarHBondContact O-N 2.79Å; R314-A317 PolarHBondContact O-N 2.86Å; R314-Y318 PolarHBondContact O-N 2.84Å; R314-E322 IonicContact CZ-OE1 2.68Å; R314-E322 IonicContact NH1-OE1 3.28Å; R314-E322 PolarHBondContact NH1-OE1 3.49Å; R314-E322 IonicContact NH1-OE2 2.71Å; R314-E322 IonicContact NH2-OE1 3.25Å; R314-E322 PolarHBondContact NH2-OE1 2.66Å
315V95.9Very high91.2Very high0 Ų052.7 Ų52.70%027%0.267CS..Hα-helixtrans-67.6-41.6175178.80000110.6R311 D312 Y318 L319 L381 V403 I434 Y436R311-V315 WeakPolarHBondContact O-CG2 3.46Å; R311-V315 PolarHBondContact O-N 2.66Å; D312-V315 PolarHBondContact O-N 2.88Å; V315-Y318 WeakPolarHBondContact O-CB 3.38Å; V315-Y318 PolarHBondContact O-N 3.21Å; V315-L319 HydrophobicContact CG1-CD1 4.26Å; V315-L319 PolarHBondContact O-N 3.08Å; V315-L319 VanDerWaalsContact O-N 3.14Å; V315-L381 HydrophobicContact CG1-CD1 4.29Å; V315-V403 HydrophobicContact CG1-CG2 4.45Å; V315-I434 HydrophobicContact CG2-CG2 4.27Å; V315-Y436 HydrophobicContact CB-CD2 3.75Å; V315-Y436 HydrophobicContact CB-CE2 4.05Å; V315-Y436 HydrophobicContact CB-CG 4.17Å; V315-Y436 HydrophobicContact CG1-CD1 3.88Å; V315-Y436 HydrophobicContact CG1-CD2 3.63Å; V315-Y436 HydrophobicContact CG1-CE1 4.23Å; V315-Y436 HydrophobicContact CG1-CE2 4Å; V315-Y436 HydrophobicContact CG1-CG 3.55Å
316C94.3Very high90.9Very high22 Ų2256 Ų5615%0.14927%0.272CS..Hα-helixtrans-59.9-47.7174.1-178.50000111.2D312 Y318 L319 H320 Y436D312-C316 VanDerWaalsContact O-CB 3.26Å; D312-C316 WeakPolarHBondContact O-CB 3.37Å; D312-C316 PolarHBondContact O-N 3.08Å; C316-Y318 VanDerWaalsContact C-N 3.26Å; C316-Y318 PolarHBondContact O-N 2.87Å; C316-L319 PolarHBondContact O-N 2.78Å; C316-L319 VanDerWaalsContact O-N 3.14Å; C316-H320 WeakPolarHBondContact O-CB 3.43Å; C316-H320 PolarHBondContact O-N 3.06Å; C316-Y436 WeakPolarHBondContact CA-OH 3.22Å; C316-Y436 HydrophobicContact CB-CE2 3.99Å; C316-Y436 WeakPolarHBondContact CB-OH 3.22Å
317A92.3Very high90.8Very high20 Ų2057.1 Ų57.117%0.16527%0.273CS..Hα-helixtrans-60.3-34.6176.300000113.3A313 R314 G321 E322A313-A317 VanDerWaalsContact O-CB 3.28Å; A313-A317 WeakPolarHBondContact O-CB 3.44Å; A313-A317 PolarHBondContact O-N 3.09Å; R314-A317 PolarHBondContact O-N 2.86Å; A317-G321 CarbonylContact O-C 3.55Å; A317-G321 WeakPolarHBondContact O-CA 3.26Å; A317-G321 PolarHBondContact O-N 3.26Å; A317-E322 HydrophobicContact CB-CG 3.91Å
318Y94.4Very high90.9Very high67 Ų6760.3 Ų60.326%0.26329%0.291SS..Hα-helixtrans-65.6-40.6174.7174.6-95.5000112.5I163 R314 V315 C316 G400 F401 P419I163-Y318 HydrophobicContact CG2-CD2 4.09Å; I163-Y318 HydrophobicContact CG2-CG 3.81Å; R314-Y318 PolarHBondContact O-N 2.84Å; V315-Y318 WeakPolarHBondContact O-CB 3.38Å; V315-Y318 PolarHBondContact O-N 3.21Å; C316-Y318 VanDerWaalsContact C-N 3.26Å; C316-Y318 PolarHBondContact O-N 2.87Å; Y318-G400 VanDerWaalsContact OH-CA 3.29Å; Y318-G400 WeakPolarHBondContact OH-CA 3.43Å; Y318-F401 HydrophobicContact CE1-CB 3.86Å; Y318-F401 HydrophobicContact CE1-CD2 4.38Å; Y318-F401 WeakPolarHBondContact CE1-O 3.49Å; Y318-F401 HydrophobicContact CE2-CD2 4.24Å; Y318-F401 AromaticContact CZ-CD2 3.98Å; Y318-F401 PolarHBondContact OH-N 3.13Å; Y318-P419 HydrophobicContact CE1-CG 3.99Å
319L95.4Very high90.9Very high2 Ų263.5 Ų63.51%0.0130%0.302CS..Hα-helixtrans-83.7-37.8-177.6-67.7170.6000113.3V315 C316 P330 V403 L417 Y436V315-L319 HydrophobicContact CG1-CD1 4.26Å; V315-L319 PolarHBondContact O-N 3.08Å; V315-L319 VanDerWaalsContact O-N 3.14Å; C316-L319 PolarHBondContact O-N 2.78Å; C316-L319 VanDerWaalsContact O-N 3.14Å; L319-P330 HydrophobicContact CB-CB 4.37Å; L319-P330 HydrophobicContact CB-CG 4.28Å; L319-P330 HydrophobicContact CD2-CB 4.46Å; L319-P330 WeakPolarHBondContact O-CD 3.31Å; L319-V403 HydrophobicContact CD1-CG2 4.08Å; L319-L417 HydrophobicContact CD1-CD2 3.88Å; L319-L417 HydrophobicContact CD1-CG 4.45Å; L319-Y436 HydrophobicContact CD1-CD1 4.29Å; L319-Y436 HydrophobicContact CD1-CE1 3.73Å
320H93.7Very high91.1Very high1 Ų156.3 Ų56.31%0.00528%0.277CS..Hα-helixtrans-111.41.5-170.6-66.1-76.4000113.6C316 R327 L328 P330 D438 E440C316-H320 WeakPolarHBondContact O-CB 3.43Å; C316-H320 PolarHBondContact O-N 3.06Å; H320-R327 WeakPolarHBondContact O-CA 3.44Å; H320-R327 WeakPolarHBondContact O-CD 3.36Å; H320-L328 PolarHBondContact O-N 3Å; H320-P330 VanDerWaalsContact CE1-CG 3.45Å; H320-P330 WeakPolarHBondContact CE1-CG 3.36Å; H320-P330 WeakPolarHBondContact ND1-CD 3.24Å; H320-D438 IonicContact CD2-OD1 2.71Å; H320-D438 IonicContact CE1-OD1 3.92Å; H320-D438 IonicContact CE1-OD2 3.93Å; H320-D438 IonicContact NE2-OD1 3.8Å; H320-D438 PolarHBondContact NE2-OD1 2.95Å; H320-D438 IonicContact NE2-OD2 2.81Å; H320-E440 IonicContact CE1-OE2 3.92Å; H320-E440 PolarHBondContact CE1-OE2 3.05Å; H320-E440 IonicContact ND1-OE1 2.81Å; H320-E440 IonicContact ND1-OE2 3.15Å
321G91.3Very high91.3Very high10 Ų1057.1 Ų57.110%0.10328%0.281CS..  trans83.7152.8-175.600000113.4A317A317-G321 CarbonylContact O-C 3.55Å; A317-G321 WeakPolarHBondContact O-CA 3.26Å; A317-G321 PolarHBondContact O-N 3.26Å
322E87.5Confident91.4Very high56 Ų5660.8 Ų60.826%0.26230%0.3SS..SBendtrans-72.2-36.9175.2-73.8-165.1-170.100111.5M179 G181 R314 A317 P324M179-E322 CarbonylContact O-C 3.57Å; M179-E322 WeakPolarHBondContact O-CB 3.31Å; G181-E322 WeakPolarHBondContact CA-OE2 3.41Å; G181-E322 PolarHBondContact N-OE2 2.81Å; R314-E322 IonicContact CZ-OE1 2.68Å; R314-E322 IonicContact NH1-OE1 3.28Å; R314-E322 PolarHBondContact NH1-OE1 3.49Å; R314-E322 IonicContact NH1-OE2 2.71Å; R314-E322 IonicContact NH2-OE1 3.25Å; R314-E322 PolarHBondContact NH2-OE1 2.66Å; A317-E322 HydrophobicContact CB-CG 3.91Å; E322-P324 WeakPolarHBondContact O-CD 3.3Å
323N86.6Confident91.6Very high20 Ų2059.2 Ų59.211%0.10729%0.292CS..  trans-87113-177.3-176.1-8.4000112.3M179 E180 L325 R326 R327M179-N323 VanDerWaalsContact CE-OD1 3.31Å; M179-N323 WeakPolarHBondContact CE-OD1 3.33Å; M179-N323 PolarHBondContact O-N 3.12Å; E180-N323 HydrophobicContact CG-CB 4.38Å; E180-N323 WeakPolarHBondContact OE1-CB 3.44Å; E180-N323 PolarHBondContact OE1-ND2 2.84Å; E180-N323 WeakPolarHBondContact OE2-CB 3.34Å; N323-L325 PolarHBondContact O-N 3.18Å; N323-L325 VanDerWaalsContact OD1-CB 3.27Å; N323-L325 WeakPolarHBondContact OD1-CB 3.49Å; N323-L325 PolarHBondContact OD1-N 2.91Å; N323-R326 HydrophobicContact CB-CB 4.32Å; N323-R326 CarbonylContact O-C 3.6Å; N323-R326 PolarHBondContact O-N 3.1Å; N323-R327 PolarHBondContact O-N 3.33Å
324P78.8Confident91.9Very high49 Ų4960.8 Ų60.832%0.31830%0.295SS..THydrogen-bonded Turntrans-68.8-15.9179.6-24.941.1000114.5Y58 E322 R326Y58-P324 HydrophobicContact CD1-CG 4.35Å; Y58-P324 HydrophobicContact CD2-CG 4.46Å; Y58-P324 HydrophobicContact CE1-CB 4.1Å; Y58-P324 HydrophobicContact CE1-CG 3.65Å; Y58-P324 HydrophobicContact CE2-CG 3.77Å; Y58-P324 VanDerWaalsContact OH-CD 3.25Å; Y58-P324 WeakPolarHBondContact OH-CD 3.48Å; Y58-P324 WeakPolarHBondContact OH-CG 3.42Å; E322-P324 WeakPolarHBondContact O-CD 3.3Å; P324-R326 VanDerWaalsContact C-N 3.33Å
325L83Confident92.1Very high136 Ų13658.6 Ų58.671%0.71229%0.288SS*.THydrogen-bonded Turntrans-81.1-18.4172.7-55.5177.5000112.2Q56 M179 N323Q56-L325 HydrophobicContact CG-CD1 4.49Å; M179-L325 HydrophobicContact CE-CD1 4.44Å; N323-L325 PolarHBondContact O-N 3.18Å; N323-L325 VanDerWaalsContact OD1-CB 3.27Å; N323-L325 WeakPolarHBondContact OD1-CB 3.49Å; N323-L325 PolarHBondContact OD1-N 2.91Å
326R86Confident92.2Very high176 Ų17664.1 Ų64.166%0.66431%0.312SS*.SBendtrans-129.659.9179.2-165-173.9179.2-176.6-1.5109.9N323 P324 L328N323-R326 HydrophobicContact CB-CB 4.32Å; N323-R326 CarbonylContact O-C 3.6Å; N323-R326 PolarHBondContact O-N 3.1Å; P324-R326 VanDerWaalsContact C-N 3.33Å; R326-L328 PolarHBondContact O-N 2.84Å
327R87.4Confident92.3Very high91 Ų9164.2 Ų64.234%0.34331%0.313SS..  trans-59.3133.9178.2-69.9-75.3-94.8-146.6-5.1110.5H320 N323 E440H320-R327 WeakPolarHBondContact O-CA 3.44Å; H320-R327 WeakPolarHBondContact O-CD 3.36Å; N323-R327 PolarHBondContact O-N 3.33Å; R327-E440 IonicContact CZ-OE1 3.87Å; R327-E440 IonicContact NE-OE1 3.28Å; R327-E440 IonicContact NH2-OE1 3.71Å; R327-E440 PolarHBondContact NH2-OE1 2.81Å
328L91.9Very high92.6Very high91 Ų9168.6 Ų68.648%0.47634%0.342SS..  trans-81.9154.6162.9-55.5179.4000108.5H320 R326H320-L328 PolarHBondContact O-N 3Å; R326-L328 PolarHBondContact O-N 2.84Å
329H92.7Very high92.7Very high136 Ų13669.6 Ų69.663%0.6335%0.349SS*.  trans-119.7100-179.5-66.7-62.3000109H331H329-H331 PolarHBondContact O-NE2 3.3Å
330P95.9Very high92.9Very high23 Ų2370.8 Ų70.815%0.14935%0.354CS..  trans-68.1157.5176.729.9-34.8000110.9L319 H320 L417 S418L319-P330 HydrophobicContact CB-CB 4.37Å; L319-P330 HydrophobicContact CB-CG 4.28Å; L319-P330 HydrophobicContact CD2-CB 4.46Å; L319-P330 WeakPolarHBondContact O-CD 3.31Å; H320-P330 VanDerWaalsContact CE1-CG 3.45Å; H320-P330 WeakPolarHBondContact CE1-CG 3.36Å; H320-P330 WeakPolarHBondContact ND1-CD 3.24Å; P330-L417 HydrophobicContact CB-CD1 3.73Å; P330-L417 HydrophobicContact CB-CG 3.85Å; P330-L417 HydrophobicContact CG-CD1 3.81Å; P330-L417 HydrophobicContact CG-CD2 4.25Å; P330-L417 HydrophobicContact CG-CG 4.06Å; P330-S418 CarbonylContact C-O 3.59Å; P330-S418 VanDerWaalsContact CA-O 3.31Å; P330-S418 WeakPolarHBondContact CA-O 3.36Å; P330-S418 WeakPolarHBondContact CB-O 3.39Å
331H96.2Very high93.1Very high79 Ų7972 Ų7237%0.36636%0.362SS..EExtended strand (participates in β ladder)trans-110.8141.1-173.8-63.4-84.2000111.4H329 I333 L417 S418H329-H331 PolarHBondContact O-NE2 3.3Å; H331-I333 HydrophobicContact CB-CG1 4.38Å; H331-L417 CarbonylContact O-C 3.59Å; H331-L417 WeakPolarHBondContact O-CA 3.47Å; H331-S418 PolarHBondContact N-O 3.13Å; H331-S418 PolarHBondContact O-N 3.07Å
332Q96.9Very high93.4Very high132 Ų13271.6 Ų71.662%0.61736%0.357SS*.EExtended strand (participates in β ladder)trans-88.5122.2168.9-67.7-17132.700110.3T415 I416 L417Q332-T415 HydrophobicContact CB-CG2 3.97Å; Q332-I416 CarbonylContact C-O 3.54Å; Q332-I416 VanDerWaalsContact CA-O 3.26Å; Q332-I416 WeakPolarHBondContact CA-O 3.19Å; Q332-L417 HydrophobicContact CG-CD1 4.13Å
333I97.7Very high93.9Very high22 Ų2269.8 Ų69.811%0.11335%0.348CS..EExtended strand (participates in β ladder)trans-127.2125.7-178.3-53.2177.4000108.6H331 L335 T415 I416 S420 H422H331-I333 HydrophobicContact CB-CG1 4.38Å; I333-L335 HydrophobicContact CG2-CD2 3.79Å; I333-T415 CarbonylContact O-C 3.57Å; I333-T415 WeakPolarHBondContact O-CA 3.5Å; I333-I416 HydrophobicContact CB-CD1 4.49Å; I333-I416 HydrophobicContact CB-CG1 4.04Å; I333-I416 PolarHBondContact N-O 3.02Å; I333-I416 VanDerWaalsContact O-CG1 3.32Å; I333-I416 WeakPolarHBondContact O-CG1 3.36Å; I333-I416 PolarHBondContact O-N 3.39Å; I333-S420 WeakPolarHBondContact CD1-O 3.48Å; I333-H422 WeakPolarHBondContact CD1-O 3.36Å
334T98Very high94.2Very high90 Ų9073.2 Ų73.255%0.55236%0.363SS*.EExtended strand (participates in β ladder)trans-90.6123.4175.1-61.10000110.1F414 T415T334-F414 WeakPolarHBondContact CA-O 3.48Å; T334-T415 PolarHBondContact OG1-OG1 2.83Å
335L98.2Very high94.9Very high7 Ų771.4 Ų71.44%0.03735%0.35CS..EExtended strand (participates in β ladder)trans-110.2146-179.3-57.1-177000110I333 Y340 S413 F414 I416 P424 F429I333-L335 HydrophobicContact CG2-CD2 3.79Å; L335-Y340 HydrophobicContact CB-CD2 3.84Å; L335-Y340 HydrophobicContact CB-CE2 3.79Å; L335-Y340 HydrophobicContact CD1-CD1 4.07Å; L335-Y340 HydrophobicContact CD1-CD2 4.22Å; L335-Y340 HydrophobicContact CD1-CE1 3.88Å; L335-Y340 HydrophobicContact CD1-CE2 4.06Å; L335-Y340 HydrophobicContact CD1-CG 4.24Å; L335-Y340 HydrophobicContact CD2-CE2 3.85Å; L335-Y340 HydrophobicContact CG-CD2 4.46Å; L335-Y340 HydrophobicContact CG-CE2 4.1Å; L335-S413 CarbonylContact O-C 3.57Å; L335-S413 WeakPolarHBondContact O-CA 3.49Å; L335-S413 WeakPolarHBondContact O-CB 3.21Å; L335-F414 HydrophobicContact CB-CE1 4.11Å; L335-F414 HydrophobicContact CB-CE2 4.21Å; L335-F414 HydrophobicContact CB-CZ 3.91Å; L335-F414 HydrophobicContact CD1-CE2 3.91Å; L335-F414 HydrophobicContact CD1-CZ 3.95Å; L335-F414 PolarHBondContact N-O 3.46Å; L335-F414 PolarHBondContact O-N 3.32Å; L335-I416 HydrophobicContact CD1-CD1 3.72Å; L335-I416 HydrophobicContact CD1-CG1 4.07Å; L335-I416 HydrophobicContact CD1-CG2 4.31Å; L335-I416 HydrophobicContact CG-CD1 4.32Å; L335-I416 HydrophobicContact CG-CG1 4.28Å; L335-P424 HydrophobicContact CD1-CG 4.38Å; L335-F429 HydrophobicContact CD1-CE2 3.98Å; L335-F429 HydrophobicContact CD1-CZ 4.07Å
336K98.1Very high95Very high117 Ų11765.2 Ų65.251%0.50932%0.319SS..EExtended strand (participates in β ladder)trans-81.4128.4174.1-59.6-168.7-153.3133.90109.9S338 E339 Y340K336-S338 PolarHBondContact O-N 3.08Å; K336-S338 VanDerWaalsContact O-N 3.09Å; K336-E339 HydrophobicContact CB-CB 4.47Å; K336-E339 HydrophobicContact CB-CG 4.18Å; K336-E339 WeakPolarHBondContact CD-OE1 3.45Å; K336-E339 IonicContact NZ-OE1 2.77Å; K336-E339 PolarHBondContact NZ-OE1 2.96Å; K336-E339 PolarHBondContact O-N 3.27Å; K336-Y340 WeakPolarHBondContact O-CD2 3.47Å
337S97.4Very high94.3Very high24 Ų2460.1 Ų60.117%0.16831%0.308CS..THydrogen-bonded Turntrans-58.4-26.1179.4-56.80000113.2E339 Y340 K411 S412 S413S337-E339 VanDerWaalsContact C-N 3.32Å; S337-Y340 VanDerWaalsContact O-O 3.09Å; S337-K411 VanDerWaalsContact CB-O 3.3Å; S337-K411 WeakPolarHBondContact CB-O 3.43Å; S337-K411 PolarHBondContact OG-O 3.34Å; S337-S412 WeakPolarHBondContact CB-O 3.28Å; S337-S412 PolarHBondContact N-O 3.38Å; S337-S412 VanDerWaalsContact OG-C 3.24Å; S337-S412 PolarHBondContact OG-O 3.06Å; S337-S413 PolarHBondContact OG-N 2.93Å
338S97.2Very high93.1Very high111 Ų11164.6 Ų64.678%0.77633%0.333SS*.THydrogen-bonded Turntrans-74.5-18.6177.8590000114.2K336K336-S338 PolarHBondContact O-N 3.08Å; K336-S338 VanDerWaalsContact O-N 3.09Å
339E97.5Very high91.6Very high89 Ų8962.3 Ų62.342%0.41633%0.327SS..THydrogen-bonded Turntrans-96.6-17.9-175.7-68.6171.7-167.400112.1K336 S337 N427K336-E339 HydrophobicContact CB-CB 4.47Å; K336-E339 HydrophobicContact CB-CG 4.18Å; K336-E339 WeakPolarHBondContact CD-OE1 3.45Å; K336-E339 IonicContact NZ-OE1 2.77Å; K336-E339 PolarHBondContact NZ-OE1 2.96Å; K336-E339 PolarHBondContact O-N 3.27Å; S337-E339 VanDerWaalsContact C-N 3.32Å; E339-N427 VanDerWaalsContact O-CB 3.24Å; E339-N427 WeakPolarHBondContact O-CB 3.32Å; E339-N427 PolarHBondContact O-ND2 2.73Å
340Y98Very high90.1Very high27 Ų2760.7 Ų60.711%0.10632%0.322CS..  trans-123.8139.9-172.9-66.4-96.1000111.6L335 K336 S337 F414 N427 F429L335-Y340 HydrophobicContact CB-CD2 3.84Å; L335-Y340 HydrophobicContact CB-CE2 3.79Å; L335-Y340 HydrophobicContact CD1-CD1 4.07Å; L335-Y340 HydrophobicContact CD1-CD2 4.22Å; L335-Y340 HydrophobicContact CD1-CE1 3.88Å; L335-Y340 HydrophobicContact CD1-CE2 4.06Å; L335-Y340 HydrophobicContact CD1-CG 4.24Å; L335-Y340 HydrophobicContact CD2-CE2 3.85Å; L335-Y340 HydrophobicContact CG-CD2 4.46Å; L335-Y340 HydrophobicContact CG-CE2 4.1Å; K336-Y340 WeakPolarHBondContact O-CD2 3.47Å; S337-Y340 VanDerWaalsContact O-O 3.09Å; Y340-F414 HydrophobicContact CG-CZ 4.35Å; Y340-N427 WeakPolarHBondContact CA-O 3.27Å; Y340-N427 HydrophobicContact CD1-CB 3.83Å; Y340-N427 HydrophobicContact CE1-CB 4.09Å; Y340-N427 HydrophobicContact CG-CB 4.33Å; Y340-F429 HydrophobicContact CD1-CD2 4.42Å; Y340-F429 HydrophobicContact CD1-CE1 4.05Å; Y340-F429 AromaticContact CD1-CE2 3.52Å; Y340-F429 HydrophobicContact CD1-CE2 3.52Å; Y340-F429 AromaticContact CD1-CZ 3.29Å; Y340-F429 HydrophobicContact CD1-CZ 3.29Å; Y340-F429 HydrophobicContact CE1-CE1 4.35Å; Y340-F429 HydrophobicContact CE1-CE2 4.24Å; Y340-F429 AromaticContact CE1-CZ 3.62Å; Y340-F429 HydrophobicContact CE1-CZ 3.62Å; Y340-F429 HydrophobicContact CG-CE2 4.16Å; Y340-F429 HydrophobicContact CG-CZ 4.33Å
341S98Very high88.7Confident26 Ų2663.3 Ų63.318%0.18234%0.339CS..EExtended strand (participates in β ladder)trans-118.3127.2177.7-66.60000110.4Y343 Q370 N427 F429S341-Y343 VanDerWaalsContact CB-CE2 3.45Å; S341-Q370 PolarHBondContact OG-NE2 3.16Å; S341-N427 PolarHBondContact N-O 2.83Å; S341-F429 PolarHBondContact O-N 3.33Å
342I98.1Very high87.3Confident1 Ų165.3 Ų65.31%0.00535%0.352CS..EExtended strand (participates in β ladder)trans-105.2130.4178.8-60170.2000107.8Q370 V371 V373 L377 L382 F429 L431I342-Q370 CarbonylContact O-C 3.43Å; I342-Q370 WeakPolarHBondContact O-CA 3.25Å; I342-V371 HydrophobicContact CG2-CB 4.27Å; I342-V371 PolarHBondContact O-N 3.09Å; I342-V373 HydrophobicContact CD1-CG2 4.35Å; I342-L377 HydrophobicContact CD1-CD1 3.47Å; I342-L377 VanDerWaalsContact CD1-CD1 3.47Å; I342-L382 HydrophobicContact CD1-CD1 3.91Å; I342-L382 HydrophobicContact CG1-CD1 4.22Å; I342-L382 HydrophobicContact CG2-CD2 4.03Å; I342-F429 CarbonylContact C-O 3.57Å; I342-F429 HydrophobicContact CG1-CB 4.15Å; I342-F429 HydrophobicContact CG1-CD2 4.13Å; I342-L431 HydrophobicContact CG2-CB 3.96Å
343Y97.3Very high86.4Confident18 Ų1863.6 Ų63.67%0.07136%0.361CS..EExtended strand (participates in β ladder)trans-118.9146.9179.5-63.6-85.9000110.9S341 P368 I369 Q370 P390 V393 L428 F429 L430 L431S341-Y343 VanDerWaalsContact CB-CE2 3.45Å; Y343-P368 HydrophobicContact CD1-CB 3.81Å; Y343-P368 HydrophobicContact CG-CB 4.24Å; Y343-I369 CarbonylContact C-O 3.24Å; Y343-I369 VanDerWaalsContact CA-O 3.3Å; Y343-I369 WeakPolarHBondContact CA-O 3.38Å; Y343-Q370 HydrophobicContact CD1-CB 4.1Å; Y343-Q370 HydrophobicContact CE1-CB 3.79Å; Y343-Q370 HydrophobicContact CE1-CG 4.11Å; Y343-P390 HydrophobicContact CE1-CB 3.94Å; Y343-P390 HydrophobicContact CE2-CB 4.32Å; Y343-P390 VanDerWaalsContact OH-CG 3.31Å; Y343-P390 WeakPolarHBondContact OH-CG 3.23Å; Y343-V393 HydrophobicContact CD2-CG2 4.34Å; Y343-L428 HydrophobicContact CE2-CD2 3.92Å; Y343-F429 PolarHBondContact N-O 3.33Å; Y343-L430 CarbonylContact O-C 3.55Å; Y343-L430 WeakPolarHBondContact O-CA 3.44Å; Y343-L430 WeakPolarHBondContact O-CD1 3.46Å; Y343-L431 WeakPolarHBondContact O-CB 3.3Å; Y343-L431 PolarHBondContact O-N 2.79Å
344K94.6Very high85.5Confident93 Ų9368.7 Ų68.740%0.40439%0.388SS..EExtended strand (participates in β ladder)trans-107.3145.9158.6178.1-176.1171.2-169.90107.6I369 V371K344-I369 PolarHBondContact N-O 3.5Å; K344-I369 PolarHBondContact O-N 2.85Å; K344-V371 HydrophobicContact CB-CG2 3.98Å
345V92.7Very high84.5Confident10 Ų1066.2 Ų66.26%0.06137%0.371CS..EExtended strand (participates in β ladder)trans-102.1130.7176.4179.30000110.2L204 P394 L430L204-V345 HydrophobicContact CD1-CG1 4.42Å; L204-V345 HydrophobicContact CD2-CB 4.32Å; L204-V345 HydrophobicContact CD2-CG1 3.75Å; V345-P394 HydrophobicContact CG1-CB 3.9Å; V345-P394 HydrophobicContact CG1-CG 3.97Å; V345-P394 HydrophobicContact CG2-CB 4.02Å; V345-P394 HydrophobicContact CG2-CG 3.8Å; V345-L430 HydrophobicContact CB-CD1 4.46Å; V345-L430 HydrophobicContact CG2-CD1 3.64Å; V345-L430 HydrophobicContact CG2-CD2 4.46Å
346G85.2Confident83.5Confident6 Ų670.3 Ų70.36%0.06240%0.398CS..  trans79.7146.5174.200000114.8T364 N367G346-T364 WeakPolarHBondContact CA-O 3.29Å; G346-N367 PolarHBondContact N-O 2.82Å; G346-N367 VanDerWaalsContact N-O 3.08Å
347T70.8Confident82.3Confident69 Ų6974.3 Ų74.342%0.42342%0.418SS..  trans-121.4162.6165.738.80000110.4A349 T364 I369T347-A349 PolarHBondContact O-N 2.9Å; T347-T364 WeakPolarHBondContact OG1-CB 3.27Å; T347-T364 PolarHBondContact OG1-OG1 2.82Å; T347-I369 HydrophobicContact CG2-CD1 3.18Å
348E62.4Low81.2Confident186 Ų18677.2 Ų77.287%0.86945%0.452SS*.PPolyproline II helixtrans-57.4132.1159.8-70180174.800108.5
349A60.6Low80Confident43 Ų4374.2 Ų74.236%0.35543%0.434SS..PPolyproline II helixtrans-59.1140.917300000109.7T347 P351 E361T347-A349 PolarHBondContact O-N 2.9Å; A349-P351 VanDerWaalsContact O-CD 3.3Å; A349-P351 WeakPolarHBondContact O-CD 3.32Å; A349-E361 WeakPolarHBondContact CB-OE1 3.35Å
350I62.2Low78.6Confident101 Ų10178.4 Ų78.452%0.51845%0.453SS..PPolyproline II helixtrans-68.8120.5170.9-60.9174.6000106.4L354 L355I350-L354 HydrophobicContact CG2-CB 3.62Å; I350-L354 HydrophobicContact CG2-CD1 4.46Å; I350-L355 HydrophobicContact CB-CD2 4.27Å; I350-L355 HydrophobicContact CG2-CD2 4.12Å
351P65.3Low76.9Confident79 Ų7982.7 Ų82.751%0.51347%0.474SS..PPolyproline II helixtrans-55.2143177.7-24.532.8000111.3A349 A353 L354A349-P351 VanDerWaalsContact O-CD 3.3Å; A349-P351 WeakPolarHBondContact O-CD 3.32Å; P351-A353 PolarHBondContact O-N 3.12Å; P351-L354 PolarHBondContact O-N 3.3Å
352D68.1Low75.5Confident120 Ų12088.6 Ų88.664%0.64250%0.499SS*.G310 helixtrans-48-35.1179.1-76.4-16.1000113.5L354 L355D352-L354 PolarHBondContact O-N 2.77Å; D352-L354 VanDerWaalsContact O-N 3.14Å; D352-L355 PolarHBondContact O-N 3.36Å; D352-L355 VanDerWaalsContact O-N 3.09Å
353A77.3Confident74.3Confident97 Ų9793.5 Ų93.580%0.80252%0.522SS*.G310 helixtrans-61.5-19.9178.400000114.4P351P351-A353 PolarHBondContact O-N 3.12Å
354L78.4Confident73.6Confident128 Ų12894 Ų9467%0.6753%0.527SS*.G310 helixtrans-103.1-3.6178.6-60-177.3000112.8I350 P351 D352I350-L354 HydrophobicContact CG2-CB 3.62Å; I350-L354 HydrophobicContact CG2-CD1 4.46Å; P351-L354 PolarHBondContact O-N 3.3Å; D352-L354 PolarHBondContact O-N 2.77Å; D352-L354 VanDerWaalsContact O-N 3.14Å
355L76.2Confident73.3Confident38 Ų3891.9 Ų91.920%0.19952%0.516CS..SBendtrans-77.5140.5177.9-67176.1000111I350 D352 A359 E361I350-L355 HydrophobicContact CB-CD2 4.27Å; I350-L355 HydrophobicContact CG2-CD2 4.12Å; D352-L355 PolarHBondContact O-N 3.36Å; D352-L355 VanDerWaalsContact O-N 3.09Å; L355-A359 HydrophobicContact CB-CB 4.47Å; L355-E361 HydrophobicContact CD1-CB 4.46Å
356P79.3Confident73.1Confident94 Ų9496.8 Ų96.861%0.6153%0.534SS*.PPolyproline II helixtrans-56.5152.2169.5-2332.7000112.1G358 A359P356-G358 PolarHBondContact O-N 2.75Å; P356-G358 VanDerWaalsContact O-N 3.07Å; P356-A359 HydrophobicContact CB-CB 4.35Å; P356-A359 HydrophobicContact CG-CB 4.48Å; P356-A359 WeakPolarHBondContact O-CB 3.4Å; P356-A359 PolarHBondContact O-N 3Å
357H72Confident73.4Confident201 Ų20199.4 Ų99.493%0.93155%0.546SS*.THydrogen-bonded Turntrans-59.9117.2-179.9-68.746000110.3
358G74.5Confident74.5Confident85 Ų8597.8 Ų97.888%0.87654%0.537SS*.THydrogen-bonded Turntrans91.6-1.1-179.900000115.6P356P356-G358 PolarHBondContact O-N 2.75Å; P356-G358 VanDerWaalsContact O-N 3.07Å
359A71.9Confident76Confident48 Ų4892.1 Ų92.140%0.39751%0.512SS..  trans-77.6137.416900000110.3L355 P356L355-A359 HydrophobicContact CB-CB 4.47Å; P356-A359 HydrophobicContact CB-CB 4.35Å; P356-A359 HydrophobicContact CG-CB 4.48Å; P356-A359 WeakPolarHBondContact O-CB 3.4Å; P356-A359 PolarHBondContact O-N 3Å
360Q66.9Low77.6Confident177 Ų17795.9 Ų95.983%0.82752%0.522SS*.  trans-92.1152.7168.6-71.5-174.1-34.700109.7E362Q360-E362 PolarHBondContact O-N 2.97Å; Q360-E362 VanDerWaalsContact O-N 3.13Å
361E64.1Low79.2Confident117 Ų11793 Ų9355%0.54751%0.509SS..  trans-56.9114.5171.2-169.4-176.6175.700109.4A349 L355A349-E361 WeakPolarHBondContact CB-OE1 3.35Å; L355-E361 HydrophobicContact CD1-CB 4.46Å
362E67.1Low80.6Confident150 Ų15093.6 Ų93.670%0.70152%0.515SS*.  trans-71.3138.5170.1-75.6-171.8167.500109.5Q360 T364Q360-E362 PolarHBondContact O-N 2.97Å; Q360-E362 VanDerWaalsContact O-N 3.13Å; E362-T364 VanDerWaalsContact C-N 3.26Å; E362-T364 HydrophobicContact CB-CG2 4.41Å; E362-T364 WeakPolarHBondContact O-CG2 3.45Å; E362-T364 PolarHBondContact O-N 3.09Å
363E72.5Confident82Confident104 Ų10488.9 Ų88.949%0.48649%0.491SS..  trans-6682174.4-71-174.8150.300111W365 R366E363-W365 VanDerWaalsContact C-N 3.32Å; E363-R366 IonicContact OE2-CZ 2.73Å; E363-R366 VanDerWaalsContact OE2-CZ 3.29Å; E363-R366 IonicContact OE2-NH1 3.53Å; E363-R366 PolarHBondContact OE2-NH1 2.97Å; E363-R366 IonicContact OE2-NH2 3.98Å; E363-R366 PolarHBondContact OE2-NH2 3.27Å
364T84.3Confident82.8Confident28 Ų2885 Ų8517%0.17246%0.458CS..G310 helixtrans-82.9-11-178.1600000113.4G346 T347 E362 R366 N367G346-T364 WeakPolarHBondContact CA-O 3.29Å; T347-T364 WeakPolarHBondContact OG1-CB 3.27Å; T347-T364 PolarHBondContact OG1-OG1 2.82Å; E362-T364 VanDerWaalsContact C-N 3.26Å; E362-T364 HydrophobicContact CB-CG2 4.41Å; E362-T364 WeakPolarHBondContact O-CG2 3.45Å; E362-T364 PolarHBondContact O-N 3.09Å; T364-R366 PolarHBondContact O-N 3.39Å; T364-R366 VanDerWaalsContact O-N 3.16Å; T364-N367 PolarHBondContact O-N 3.14Å; T364-N367 VanDerWaalsContact O-N 3.09Å
365W87Confident83.6Confident48 Ų4886.6 Ų86.618%0.18246%0.455CS..G310 helixtrans-61.8-25.3-174.962.9-98.3000113.8N201 N203 L204 E207 E363N201-W365 PolarHBondContact ND2-O 3.24Å; N203-W365 HydrophobicContact CB-CD2 3.37Å; N203-W365 HydrophobicContact CB-CE3 3.47Å; N203-W365 VanDerWaalsContact CB-CE3 3.47Å; N203-W365 HydrophobicContact CB-CG 3.85Å; N203-W365 HydrophobicContact CB-CH2 4.18Å; N203-W365 HydrophobicContact CB-CZ2 4.09Å; N203-W365 HydrophobicContact CB-CZ3 3.88Å; L204-W365 HydrophobicContact CB-CE3 4.25Å; L204-W365 HydrophobicContact CB-CZ3 4.4Å; E207-W365 WeakPolarHBondContact OE2-CH2 3.45Å; E207-W365 WeakPolarHBondContact OE2-CZ3 3.24Å; E363-W365 VanDerWaalsContact C-N 3.32Å
366R89.3Confident84.5Confident113 Ų11391 Ų9143%0.42648%0.479SS..G310 helixtrans-98.8-10.5176.965.1177.2173.1-140.4-19.1114.3E363 T364 P368 P394E363-R366 IonicContact OE2-CZ 2.73Å; E363-R366 VanDerWaalsContact OE2-CZ 3.29Å; E363-R366 IonicContact OE2-NH1 3.53Å; E363-R366 PolarHBondContact OE2-NH1 2.97Å; E363-R366 IonicContact OE2-NH2 3.98Å; E363-R366 PolarHBondContact OE2-NH2 3.27Å; T364-R366 PolarHBondContact O-N 3.39Å; T364-R366 VanDerWaalsContact O-N 3.16Å; R366-P368 WeakPolarHBondContact O-CD 3.23Å; R366-P394 WeakPolarHBondContact O-CG 3.49Å
367N91.1Very high85.3Confident61 Ų6186.7 Ų86.733%0.32645%0.451SS..  trans-68125-168.7-71.7-8.2000110.4G346 T364 I369G346-N367 PolarHBondContact N-O 2.82Å; G346-N367 VanDerWaalsContact N-O 3.08Å; T364-N367 PolarHBondContact O-N 3.14Å; T364-N367 VanDerWaalsContact O-N 3.09Å; N367-I369 PolarHBondContact O-N 3.46Å
368P93.4Very high86.5Confident36 Ų3682.3 Ų82.323%0.23443%0.429CS..EExtended strand (participates in β ladder)trans-75.1125169.133.2-36.3000109Y343 R366 P390Y343-P368 HydrophobicContact CD1-CB 3.81Å; Y343-P368 HydrophobicContact CG-CB 4.24Å; R366-P368 WeakPolarHBondContact O-CD 3.23Å; P368-P390 WeakPolarHBondContact CG-O 3.33Å
369I93.6Very high87.6Confident66 Ų6680 Ų8034%0.33840%0.397SS..EExtended strand (participates in β ladder)trans-111.9117.6179.2-62.5165.5000107.7Y343 K344 T347 N367 V371Y343-I369 CarbonylContact C-O 3.24Å; Y343-I369 VanDerWaalsContact CA-O 3.3Å; Y343-I369 WeakPolarHBondContact CA-O 3.38Å; K344-I369 PolarHBondContact N-O 3.5Å; K344-I369 PolarHBondContact O-N 2.85Å; T347-I369 HydrophobicContact CG2-CD1 3.18Å; N367-I369 PolarHBondContact O-N 3.46Å; I369-V371 PolarHBondContact O-N 3.08Å
370Q95.7Very high88.8Confident123 Ų12381.9 Ų81.958%0.57539%0.393SS*.EExtended strand (participates in β ladder)trans-67.2128.1179.1-163.8177.311.900110.1S341 I342 Y343S341-Q370 PolarHBondContact OG-NE2 3.16Å; I342-Q370 CarbonylContact O-C 3.43Å; I342-Q370 WeakPolarHBondContact O-CA 3.25Å; Y343-Q370 HydrophobicContact CD1-CB 4.1Å; Y343-Q370 HydrophobicContact CE1-CB 3.79Å; Y343-Q370 HydrophobicContact CE1-CG 4.11Å
371V95.4Very high90.3Very high39 Ų3973.6 Ų73.624%0.23636%0.355CS..EExtended strand (participates in β ladder)trans-100.4123.4178.7-178.10000108.3I342 K344 I369 L377 L431I342-V371 HydrophobicContact CG2-CB 4.27Å; I342-V371 PolarHBondContact O-N 3.09Å; K344-V371 HydrophobicContact CB-CG2 3.98Å; I369-V371 PolarHBondContact O-N 3.08Å; V371-L377 HydrophobicContact CG1-CD2 4.27Å; V371-L431 HydrophobicContact CG1-CD2 4.49Å; V371-L431 HydrophobicContact CG2-CD2 4.28Å
372S95Very high91.9Very high92 Ų9268 Ų6864%0.64333%0.329SS*.PPolyproline II helixtrans-64.6139.3174.6600000111S374S372-S374 PolarHBondContact O-N 2.89Å; S372-S374 VanDerWaalsContact O-N 3.11Å
373V96.4Very high93.4Very high21 Ų2160.9 Ų60.913%0.12730%0.295CS..  trans-63.7114.4173.51790000109.9I342 L377 V407 F414I342-V373 HydrophobicContact CD1-CG2 4.35Å; V373-L377 HydrophobicContact CB-CD1 4.34Å; V373-L377 HydrophobicContact CG1-CD1 4.28Å; V373-L377 HydrophobicContact CG2-CD1 4.34Å; V373-V407 HydrophobicContact CG1-CG1 3.69Å; V373-F414 HydrophobicContact CG1-CB 4.33Å; V373-F414 HydrophobicContact CG1-CD1 4.11Å; V373-F414 HydrophobicContact CG2-CD1 4.2Å; V373-F414 HydrophobicContact CG2-CE1 4.31Å
374S95.1Very high94.6Very high17 Ų1756.1 Ų56.112%0.11927%0.274CS..  trans-139.6169.8179.582.20000110.8S372 D376 L377 V407S372-S374 PolarHBondContact O-N 2.89Å; S372-S374 VanDerWaalsContact O-N 3.11Å; S374-D376 PolarHBondContact O-N 2.94Å; S374-D376 VanDerWaalsContact O-N 3.08Å; S374-D376 WeakPolarHBondContact OG-CB 3.32Å; S374-D376 PolarHBondContact OG-N 3.1Å; S374-D376 PolarHBondContact OG-OD2 3.41Å; S374-L377 WeakPolarHBondContact O-CB 3.48Å; S374-L377 PolarHBondContact O-N 2.98Å; S374-L377 VanDerWaalsContact O-N 3.1Å; S374-V407 WeakPolarHBondContact O-CG2 3.35Å
375R95.1Very high95.3Very high161 Ų16154.9 Ų54.961%0.60827%0.266SS*.G310 helixtrans-59.6-18.6175.5-66.5-171.8178.7-151.7-1.3113.1L377 K378 E409R375-L377 PolarHBondContact O-N 3.49Å; R375-K378 VanDerWaalsContact O-CB 3.24Å; R375-K378 WeakPolarHBondContact O-CB 3.38Å; R375-K378 PolarHBondContact O-N 3.45Å; R375-K378 VanDerWaalsContact O-N 3.11Å; R375-E409 IonicContact NH2-OE1 3.21Å
376D94.5Very high95.8Very high130 Ų13056.4 Ų56.470%0.69528%0.275SS*.G310 helixtrans-71-16.7178.4-48.7-51.3000113.1S374 R380S374-D376 PolarHBondContact O-N 2.94Å; S374-D376 VanDerWaalsContact O-N 3.08Å; S374-D376 WeakPolarHBondContact OG-CB 3.32Å; S374-D376 PolarHBondContact OG-N 3.1Å; S374-D376 PolarHBondContact OG-OD2 3.41Å; D376-R380 WeakPolarHBondContact O-CG 3.03Å
377L96.6Very high96.2Very high4 Ų451.2 Ų51.22%0.02126%0.256CS..G310 helixtrans-74.5-14.4172-66.8178.8000112.5I342 V371 V373 S374 R375 N379 R380 V404 V407 L431I342-L377 HydrophobicContact CD1-CD1 3.47Å; I342-L377 VanDerWaalsContact CD1-CD1 3.47Å; V371-L377 HydrophobicContact CG1-CD2 4.27Å; V373-L377 HydrophobicContact CB-CD1 4.34Å; V373-L377 HydrophobicContact CG1-CD1 4.28Å; V373-L377 HydrophobicContact CG2-CD1 4.34Å; S374-L377 WeakPolarHBondContact O-CB 3.48Å; S374-L377 PolarHBondContact O-N 2.98Å; S374-L377 VanDerWaalsContact O-N 3.1Å; R375-L377 PolarHBondContact O-N 3.49Å; L377-N379 PolarHBondContact O-N 2.89Å; L377-R380 WeakPolarHBondContact O-CB 3.42Å; L377-R380 WeakPolarHBondContact O-CG 3.4Å; L377-R380 PolarHBondContact O-N 2.84Å; L377-V404 HydrophobicContact CB-CG1 4.19Å; L377-V404 HydrophobicContact CB-CG2 4.5Å; L377-V404 VanDerWaalsContact O-CB 3.24Å; L377-V404 WeakPolarHBondContact O-CB 3.26Å; L377-V407 HydrophobicContact CB-CG2 4.39Å; L377-L431 HydrophobicContact CD2-CD1 4.12Å; L377-L431 HydrophobicContact CD2-CD2 4.28Å
378K96.8Very high96.5Very high108 Ų10853 Ų5347%0.4727%0.274SS..THydrogen-bonded Turntrans-56134.7178.1-174.9173.6-178.4178.90110.6R375 R380 V405R375-K378 VanDerWaalsContact O-CB 3.24Å; R375-K378 WeakPolarHBondContact O-CB 3.38Å; R375-K378 PolarHBondContact O-N 3.45Å; R375-K378 VanDerWaalsContact O-N 3.11Å; K378-R380 PolarHBondContact O-N 3.15Å; K378-V405 WeakPolarHBondContact CE-O 3.26Å
379N96.9Very high96.7Very high37 Ų3756.1 Ų56.120%0.19829%0.285CS..THydrogen-bonded Turntrans63.412.4-176.8-54.9-26.8000114.3L377 V404 C435 Y436 V437L377-N379 PolarHBondContact O-N 2.89Å; N379-V404 VanDerWaalsContact CA-O 3.26Å; N379-V404 WeakPolarHBondContact CA-O 3.35Å; N379-V404 PolarHBondContact N-O 3.35Å; N379-C435 CarbonylContact O-C 3.43Å; N379-C435 WeakPolarHBondContact O-CA 3.24Å; N379-Y436 VanDerWaalsContact CB-O 3.3Å; N379-Y436 WeakPolarHBondContact CB-O 3.36Å; N379-Y436 PolarHBondContact O-N 2.85Å; N379-V437 HydrophobicContact CB-CG2 4.33Å
380R97.6Very high96.8Very high87 Ų8754.9 Ų54.933%0.32828%0.281SS..EExtended strand (participates in β ladder)trans-84.9136.9177.1-62.9-61.9-173169.4-0.7111.2D376 L377 K378 V403 V404 L431 S433D376-R380 WeakPolarHBondContact O-CG 3.03Å; L377-R380 WeakPolarHBondContact O-CB 3.42Å; L377-R380 WeakPolarHBondContact O-CG 3.4Å; L377-R380 PolarHBondContact O-N 2.84Å; K378-R380 PolarHBondContact O-N 3.15Å; R380-V403 WeakPolarHBondContact O-CA 3.31Å; R380-V404 PolarHBondContact O-N 3.4Å; R380-L431 HydrophobicContact CB-CD1 3.67Å; R380-L431 HydrophobicContact CG-CD1 4.03Å; R380-S433 PolarHBondContact NH1-O 3.33Å
381L98Very high96.8Very high3 Ų356.3 Ų56.32%0.01628%0.282CS..EExtended strand (participates in β ladder)trans-82.5128.4172.317781.4000109.5I163 V315 F401 V403 T432 I434I163-L381 HydrophobicContact CD1-CD1 4.05Å; I163-L381 HydrophobicContact CD1-CD2 3.53Å; I163-L381 HydrophobicContact CD1-CG 4.29Å; V315-L381 HydrophobicContact CG1-CD1 4.29Å; L381-F401 HydrophobicContact CD1-CB 3.88Å; L381-V403 HydrophobicContact CD1-CG2 3.78Å; L381-T432 WeakPolarHBondContact CB-OG1 3.45Å; L381-T432 HydrophobicContact CD2-CG2 4.16Å; L381-T432 HydrophobicContact CG-CG2 4.41Å; L381-T432 PolarHBondContact O-N 3.09Å; L381-T432 VanDerWaalsContact O-N 3.08Å; L381-T432 PolarHBondContact O-OG1 3.09Å; L381-I434 HydrophobicContact CB-CB 4.06Å; L381-I434 HydrophobicContact CB-CG2 4.25Å; L381-I434 HydrophobicContact CD2-CB 3.91Å; L381-I434 HydrophobicContact CD2-CG1 4.1Å; L381-I434 HydrophobicContact CD2-CG2 4.14Å; L381-I434 PolarHBondContact N-O 3.31Å
382L98.4Very high96.8Very high0 Ų057 Ų570%028%0.283CS..EExtended strand (participates in β ladder)trans-115.2139.5176.5-55-177.2000109.7I342 F401 V402 V404 F429 L430 L431I342-L382 HydrophobicContact CD1-CD1 3.91Å; I342-L382 HydrophobicContact CG1-CD1 4.22Å; I342-L382 HydrophobicContact CG2-CD2 4.03Å; L382-F401 CarbonylContact O-C 3.35Å; L382-F401 VanDerWaalsContact O-CA 3.27Å; L382-F401 WeakPolarHBondContact O-CA 3.13Å; L382-V402 HydrophobicContact CB-CG2 3.93Å; L382-V402 PolarHBondContact N-O 2.88Å; L382-V402 PolarHBondContact O-N 3.43Å; L382-V404 HydrophobicContact CD1-CG2 3.54Å; L382-V404 HydrophobicContact CG-CG2 4Å; L382-F429 HydrophobicContact CB-CB 4.33Å; L382-F429 HydrophobicContact CD1-CB 4.31Å; L382-F429 HydrophobicContact CD1-CD2 3.72Å; L382-F429 HydrophobicContact CD1-CE2 4.46Å; L382-F429 HydrophobicContact CD1-CG 4.32Å; L382-L430 CarbonylContact C-O 3.57Å; L382-L430 WeakPolarHBondContact CA-O 3.49Å; L382-L431 HydrophobicContact CD2-CB 4.11Å; L382-L431 HydrophobicContact CD2-CD1 3.62Å; L382-L431 HydrophobicContact CD2-CG 4.5Å
383A98.4Very high96.8Very high0 Ų052.8 Ų52.80%025%0.253CS..EExtended strand (participates in β ladder)trans-95.1135168.800000110.2C192 S385 V398 F401 F429 L430C192-A383 HydrophobicContact CB-CB 3.66Å; A383-S385 PolarHBondContact O-N 3.06Å; A383-V398 HydrophobicContact CB-CB 4.39Å; A383-V398 HydrophobicContact CB-CG1 3.84Å; A383-F401 HydrophobicContact CB-CD1 3.54Å; A383-F401 HydrophobicContact CB-CE1 3.42Å; A383-F401 VanDerWaalsContact CB-CE1 3.42Å; A383-F401 HydrophobicContact CB-CZ 4.42Å; A383-F429 CarbonylContact O-C 3.5Å; A383-F429 VanDerWaalsContact O-CA 3.28Å; A383-F429 WeakPolarHBondContact O-CA 3.46Å; A383-L430 HydrophobicContact CB-CB 4.28Å; A383-L430 PolarHBondContact N-O 2.77Å; A383-L430 PolarHBondContact O-N 2.87Å
384V98.5Very high96.7Very high5 Ų552 Ų523%0.0325%0.249CC..EExtended strand (participates in β ladder)trans-85.5104.2175.9-1760000108V398 Y399 G400 V402 P424 P425 N426 F429V384-V398 CarbonylContact O-C 3.53Å; V384-V398 VanDerWaalsContact O-CA 3.26Å; V384-V398 WeakPolarHBondContact O-CA 3.2Å; V384-V398 WeakPolarHBondContact O-CB 3.47Å; V384-Y399 HydrophobicContact CG1-CD2 4.16Å; V384-Y399 PolarHBondContact O-N 3.37Å; V384-G400 PolarHBondContact N-O 2.78Å; V384-V402 HydrophobicContact CG2-CG1 4.15Å; V384-V402 HydrophobicContact CG2-CG2 4.47Å; V384-P424 HydrophobicContact CG1-CB 3.96Å; V384-P424 HydrophobicContact CG2-CB 4.05Å; V384-P425 HydrophobicContact CG1-CG 4.35Å; V384-N426 HydrophobicContact CG1-CB 4.32Å; V384-F429 HydrophobicContact CB-CD1 4.4Å; V384-F429 HydrophobicContact CB-CE1 4.31Å; V384-F429 HydrophobicContact CG1-CD1 4.39Å; V384-F429 HydrophobicContact CG1-CE1 4.03Å; V384-F429 HydrophobicContact CG2-CD1 4.16Å; V384-F429 HydrophobicContact CG2-CE1 3.85Å
385S98.4Very high96.5Very high1 Ų154.6 Ų54.61%0.00726%0.259CS..EExtended strand (participates in β ladder)trans-72.6150.1-174.2-171.80000111.9A383 A387 N426 L428A383-S385 PolarHBondContact O-N 3.06Å; S385-A387 VanDerWaalsContact C-N 3.31Å; S385-A387 VanDerWaalsContact OG-CB 3.27Å; S385-A387 WeakPolarHBondContact OG-CB 3.38Å; S385-A387 PolarHBondContact OG-N 2.79Å; S385-A387 VanDerWaalsContact OG-N 3.1Å; S385-N426 WeakPolarHBondContact O-CB 3.29Å; S385-N426 PolarHBondContact O-ND2 3.02Å; S385-L428 WeakPolarHBondContact CB-O 3.43Å; S385-L428 PolarHBondContact N-O 3.49Å
386Q98.1Very high96.6Very high81 Ų8147.5 Ų47.538%0.37924%0.235SC..  trans-88.51.5167.2-58.3-172.415.300112.7P397 V398 Y399Q386-P397 VanDerWaalsContact CB-O 3.31Å; Q386-P397 WeakPolarHBondContact CB-O 3.3Å; Q386-P397 HydrophobicContact CG-CB 4.41Å; Q386-P397 WeakPolarHBondContact CG-O 3.37Å; Q386-P397 PolarHBondContact N-O 3.43Å; Q386-V398 PolarHBondContact NE2-O 3.2Å; Q386-V398 VanDerWaalsContact NE2-O 3.15Å; Q386-Y399 HydrophobicContact CB-CD2 4.49Å; Q386-Y399 HydrophobicContact CB-CE2 4.09Å; Q386-Y399 HydrophobicContact CG-CD1 3.93Å; Q386-Y399 HydrophobicContact CG-CD2 3.71Å; Q386-Y399 HydrophobicContact CG-CE1 3.84Å; Q386-Y399 HydrophobicContact CG-CE2 3.65Å; Q386-Y399 HydrophobicContact CG-CG 3.86Å
387A97.9Very high96.8Very high3 Ų342.5 Ų42.53%0.02521%0.21CC..  trans-61.3141.6177.500000112.1S385 Q392 V393 A396 N426 L428S385-A387 VanDerWaalsContact C-N 3.31Å; S385-A387 VanDerWaalsContact OG-CB 3.27Å; S385-A387 WeakPolarHBondContact OG-CB 3.38Å; S385-A387 PolarHBondContact OG-N 2.79Å; S385-A387 VanDerWaalsContact OG-N 3.1Å; A387-Q392 HydrophobicContact CB-CB 3.81Å; A387-V393 HydrophobicContact CB-CB 4.5Å; A387-V393 HydrophobicContact CB-CG2 3.86Å; A387-A396 HydrophobicContact CB-CB 3.73Å; A387-N426 PolarHBondContact O-ND2 3.1Å; A387-L428 HydrophobicContact CB-CD1 4.21Å
388S97.3Very high96.8Very high100 Ų10043 Ų4370%0.69921%0.213SC*.SBendtrans-85.9-30.4170.5-58.60000111.6
389E97.2Very high96.9Very high100 Ų10044.1 Ų44.147%0.46722%0.215SC..SBendtrans-126.3150.1-176.1-66.2-66.7164.200111.6Y391 Q392E389-Y391 VanDerWaalsContact C-N 3.28Å; E389-Y391 HydrophobicContact CB-CD1 3.65Å; E389-Y391 HydrophobicContact CB-CE1 3.29Å; E389-Y391 HydrophobicContact CG-CE1 3.75Å; E389-Y391 PolarHBondContact O-N 2.93Å; E389-Y391 VanDerWaalsContact O-N 3.17Å; E389-Q392 HydrophobicContact CB-CG 4.37Å; E389-Q392 WeakPolarHBondContact O-CB 3.4Å; E389-Q392 PolarHBondContact O-N 3.39Å
390P95.9Very high96.9Very high40 Ų4042.9 Ų42.926%0.2621%0.211SC..G310 helixtrans-53.4-39.6-177.9-30.137000114.8Y343 P368 Q392 V393Y343-P390 HydrophobicContact CE1-CB 3.94Å; Y343-P390 HydrophobicContact CE2-CB 4.32Å; Y343-P390 VanDerWaalsContact OH-CG 3.31Å; Y343-P390 WeakPolarHBondContact OH-CG 3.23Å; P368-P390 WeakPolarHBondContact CG-O 3.33Å; P390-Q392 PolarHBondContact O-N 3.09Å; P390-V393 WeakPolarHBondContact O-CB 3.42Å; P390-V393 WeakPolarHBondContact O-CG2 3.39Å; P390-V393 PolarHBondContact O-N 2.91Å
391Y94.2Very high96.9Very high154 Ų15439 Ų3960%0.60420%0.196SC*.G310 helixtrans-67.8-16.6-178.770.5-92.6000113.9E389 P394E389-Y391 VanDerWaalsContact C-N 3.28Å; E389-Y391 HydrophobicContact CB-CD1 3.65Å; E389-Y391 HydrophobicContact CB-CE1 3.29Å; E389-Y391 HydrophobicContact CG-CE1 3.75Å; E389-Y391 PolarHBondContact O-N 2.93Å; E389-Y391 VanDerWaalsContact O-N 3.17Å; Y391-P394 WeakPolarHBondContact O-CD 3.4Å
392Q96.1Very high96.9Very high54 Ų5439 Ų3925%0.25220%0.196SC..G310 helixtrans-90.8-13177.6-58.8178-49.300112.6A387 E389 P390 P394 E395 A396A387-Q392 HydrophobicContact CB-CB 3.81Å; E389-Q392 HydrophobicContact CB-CG 4.37Å; E389-Q392 WeakPolarHBondContact O-CB 3.4Å; E389-Q392 PolarHBondContact O-N 3.39Å; P390-Q392 PolarHBondContact O-N 3.09Å; Q392-P394 VanDerWaalsContact C-N 3.33Å; Q392-E395 VanDerWaalsContact O-CG 3.29Å; Q392-E395 WeakPolarHBondContact O-CG 3.44Å; Q392-E395 PolarHBondContact O-N 3.28Å; Q392-E395 VanDerWaalsContact O-N 3.09Å; Q392-A396 VanDerWaalsContact O-CB 3.32Å; Q392-A396 WeakPolarHBondContact O-CB 3.4Å; Q392-A396 PolarHBondContact O-N 3.15Å
393V96.2Very high96.9Very high3 Ų339.1 Ų39.12%0.01820%0.197CC..THydrogen-bonded Turntrans-52.5-40.7-178.5173.40000113.8Y343 A387 P390 E395 L428 L430Y343-V393 HydrophobicContact CD2-CG2 4.34Å; A387-V393 HydrophobicContact CB-CB 4.5Å; A387-V393 HydrophobicContact CB-CG2 3.86Å; P390-V393 WeakPolarHBondContact O-CB 3.42Å; P390-V393 WeakPolarHBondContact O-CG2 3.39Å; P390-V393 PolarHBondContact O-N 2.91Å; V393-E395 VanDerWaalsContact C-N 3.3Å; V393-E395 PolarHBondContact O-N 3.38Å; V393-L428 HydrophobicContact CG2-CB 4.09Å; V393-L428 HydrophobicContact CG2-CD1 4.12Å; V393-L430 HydrophobicContact CG1-CB 4.01Å; V393-L430 HydrophobicContact CG1-CD1 4.5Å
394P93Very high96.9Very high4 Ų439.1 Ų39.13%0.02620%0.197CC..THydrogen-bonded Turntrans-61.5-33177.5-21.230.9000114.7L204 Q208 V345 R366 Y391 Q392L204-P394 HydrophobicContact CD1-CB 3.77Å; Q208-P394 PolarHBondContact NE2-O 3.34Å; V345-P394 HydrophobicContact CG1-CB 3.9Å; V345-P394 HydrophobicContact CG1-CG 3.97Å; V345-P394 HydrophobicContact CG2-CB 4.02Å; V345-P394 HydrophobicContact CG2-CG 3.8Å; R366-P394 WeakPolarHBondContact O-CG 3.49Å; Y391-P394 WeakPolarHBondContact O-CD 3.4Å; Q392-P394 VanDerWaalsContact C-N 3.33Å
395E92Very high96.8Very high71 Ų7140.3 Ų40.333%0.33220%0.204SC..THydrogen-bonded Turntrans-108.1-8.5-17161.7169.5178.600113.4F191 Q392 V393F191-E395 WeakPolarHBondContact CE1-O 3.11Å; Q392-E395 VanDerWaalsContact O-CG 3.29Å; Q392-E395 WeakPolarHBondContact O-CG 3.44Å; Q392-E395 PolarHBondContact O-N 3.28Å; Q392-E395 VanDerWaalsContact O-N 3.09Å; V393-E395 VanDerWaalsContact C-N 3.3Å; V393-E395 PolarHBondContact O-N 3.38Å
396A96.7Very high96.7Very high12 Ų1244.1 Ų44.110%0.09923%0.225CC..SBendtrans-79.4144.1-17900000111.4A387 Q392A387-A396 HydrophobicContact CB-CB 3.73Å; Q392-A396 VanDerWaalsContact O-CB 3.32Å; Q392-A396 WeakPolarHBondContact O-CB 3.4Å; Q392-A396 PolarHBondContact O-N 3.15Å
397P97.8Very high96.7Very high26 Ų2640.7 Ų40.717%0.16921%0.209CC..BIsolated β-bridgetrans-59.2170.6164-20.132.5000111.5L189 V190 F191 Q386L189-P397 HydrophobicContact CD1-CB 3.99Å; L189-P397 HydrophobicContact CD1-CG 3.9Å; V190-P397 CarbonylContact O-C 3.54Å; V190-P397 VanDerWaalsContact O-CA 3.23Å; V190-P397 WeakPolarHBondContact O-CA 3.33Å; F191-P397 HydrophobicContact CE1-CB 4.42Å; F191-P397 HydrophobicContact CE1-CG 3.78Å; F191-P397 HydrophobicContact CZ-CG 3.98Å; Q386-P397 VanDerWaalsContact CB-O 3.31Å; Q386-P397 WeakPolarHBondContact CB-O 3.3Å; Q386-P397 HydrophobicContact CG-CB 4.41Å; Q386-P397 WeakPolarHBondContact CG-O 3.37Å; Q386-P397 PolarHBondContact N-O 3.43Å
398V98.2Very high96.6Very high14 Ų1441.7 Ų41.79%0.08522%0.216CC..EExtended strand (participates in β ladder)trans-118.5148.2178.9-58.70000111.3V190 C192 A383 V384 Q386 F401V190-V398 HydrophobicContact CB-CG2 3.98Å; V190-V398 HydrophobicContact CG1-CG2 3.87Å; V190-V398 PolarHBondContact O-N 3.42Å; C192-V398 HydrophobicContact CB-CG1 3.81Å; A383-V398 HydrophobicContact CB-CB 4.39Å; A383-V398 HydrophobicContact CB-CG1 3.84Å; V384-V398 CarbonylContact O-C 3.53Å; V384-V398 VanDerWaalsContact O-CA 3.26Å; V384-V398 WeakPolarHBondContact O-CA 3.2Å; V384-V398 WeakPolarHBondContact O-CB 3.47Å; Q386-V398 PolarHBondContact NE2-O 3.2Å; Q386-V398 VanDerWaalsContact NE2-O 3.15Å; V398-F401 HydrophobicContact CG2-CE1 4.34Å; V398-F401 HydrophobicContact CG2-CE2 4.01Å; V398-F401 HydrophobicContact CG2-CZ 3.66Å
399Y97.1Very high96.5Very high132 Ų13244.6 Ų44.652%0.51822%0.219SC..EExtended strand (participates in β ladder)trans-76.3-28.2171.1-71.6-64.6000112.1V384 Q386 P425 N426V384-Y399 HydrophobicContact CG1-CD2 4.16Å; V384-Y399 PolarHBondContact O-N 3.37Å; Q386-Y399 HydrophobicContact CB-CD2 4.49Å; Q386-Y399 HydrophobicContact CB-CE2 4.09Å; Q386-Y399 HydrophobicContact CG-CD1 3.93Å; Q386-Y399 HydrophobicContact CG-CD2 3.71Å; Q386-Y399 HydrophobicContact CG-CE1 3.84Å; Q386-Y399 HydrophobicContact CG-CE2 3.65Å; Q386-Y399 HydrophobicContact CG-CG 3.86Å; Y399-P425 HydrophobicContact CD1-CG 4.3Å; Y399-P425 HydrophobicContact CD2-CB 4.41Å; Y399-P425 HydrophobicContact CD2-CG 3.6Å; Y399-P425 HydrophobicContact CE2-CB 4.43Å; Y399-P425 HydrophobicContact CE2-CG 4.09Å; Y399-P425 HydrophobicContact CG-CG 3.7Å; Y399-N426 HydrophobicContact CD2-CB 4.38Å; Y399-N426 HydrophobicContact CE2-CB 4.16Å
400G97.1Very high96.5Very high11 Ų1145.1 Ų45.111%0.11323%0.225CC..EExtended strand (participates in β ladder)trans161.5-162.7-175.400000111.6Y318 V384Y318-G400 VanDerWaalsContact OH-CA 3.29Å; Y318-G400 WeakPolarHBondContact OH-CA 3.43Å; V384-G400 PolarHBondContact N-O 2.78Å
401F98.2Very high96.5Very high5 Ų549 Ų492%0.02224%0.237CC..EExtended strand (participates in β ladder)trans-136.3150-172.6-55.1-92.3000111.9C162 I163 T166 V190 C192 Y318 L381 L382 A383 V398 P419C162-F401 VanDerWaalsContact SG-CE2 3.59Å; I163-F401 HydrophobicContact CD1-CB 3.8Å; I163-F401 HydrophobicContact CD1-CD1 3.45Å; I163-F401 VanDerWaalsContact CD1-CD1 3.45Å; I163-F401 HydrophobicContact CD1-CD2 3.43Å; I163-F401 VanDerWaalsContact CD1-CD2 3.43Å; I163-F401 HydrophobicContact CD1-CE1 3.79Å; I163-F401 HydrophobicContact CD1-CE2 3.82Å; I163-F401 HydrophobicContact CD1-CG 3.25Å; I163-F401 HydrophobicContact CD1-CZ 3.98Å; I163-F401 HydrophobicContact CG1-CD1 4.35Å; I163-F401 HydrophobicContact CG1-CD2 3.98Å; I163-F401 HydrophobicContact CG1-CE1 4.22Å; I163-F401 HydrophobicContact CG1-CE2 3.89Å; I163-F401 HydrophobicContact CG1-CG 4.23Å; I163-F401 HydrophobicContact CG1-CZ 4.01Å; T166-F401 HydrophobicContact CG2-CE1 3.89Å; T166-F401 HydrophobicContact CG2-CE2 4.23Å; T166-F401 HydrophobicContact CG2-CZ 3.37Å; V190-F401 HydrophobicContact CG1-CE2 4.34Å; V190-F401 HydrophobicContact CG1-CZ 4.1Å; C192-F401 HydrophobicContact CB-CE1 4.26Å; Y318-F401 HydrophobicContact CE1-CB 3.86Å; Y318-F401 HydrophobicContact CE1-CD2 4.38Å; Y318-F401 WeakPolarHBondContact CE1-O 3.49Å; Y318-F401 HydrophobicContact CE2-CD2 4.24Å; Y318-F401 AromaticContact CZ-CD2 3.98Å; Y318-F401 PolarHBondContact OH-N 3.13Å; L381-F401 HydrophobicContact CD1-CB 3.88Å; L382-F401 CarbonylContact O-C 3.35Å; L382-F401 VanDerWaalsContact O-CA 3.27Å; L382-F401 WeakPolarHBondContact O-CA 3.13Å; A383-F401 HydrophobicContact CB-CD1 3.54Å; A383-F401 HydrophobicContact CB-CE1 3.42Å; A383-F401 VanDerWaalsContact CB-CE1 3.42Å; A383-F401 HydrophobicContact CB-CZ 4.42Å; V398-F401 HydrophobicContact CG2-CE1 4.34Å; V398-F401 HydrophobicContact CG2-CE2 4.01Å; V398-F401 HydrophobicContact CG2-CZ 3.66Å; F401-P419 WeakPolarHBondContact O-CD 3.35Å
402V98.3Very high96.6Very high3 Ų344.5 Ų44.52%0.01823%0.228CC..EExtended strand (participates in β ladder)trans-138.1155.3178.4-58.80000109.2L382 V384 I416 L417L382-V402 HydrophobicContact CB-CG2 3.93Å; L382-V402 PolarHBondContact N-O 2.88Å; L382-V402 PolarHBondContact O-N 3.43Å; V384-V402 HydrophobicContact CG2-CG1 4.15Å; V384-V402 HydrophobicContact CG2-CG2 4.47Å; V402-I416 HydrophobicContact CB-CB 4.22Å; V402-I416 HydrophobicContact CB-CD1 3.99Å; V402-I416 HydrophobicContact CG1-CD1 3.88Å; V402-I416 HydrophobicContact CG2-CB 4.34Å; V402-I416 HydrophobicContact CG2-CD1 4.13Å; V402-I416 HydrophobicContact CG2-CG2 4.16Å; V402-L417 WeakPolarHBondContact CA-O 3.31Å; V402-L417 WeakPolarHBondContact CB-O 3.32Å
403V98Very high96.7Very high3 Ų343.2 Ų43.22%0.01823%0.225CC..EExtended strand (participates in β ladder)trans-116.3128177.7179.80000109.5V315 L319 R380 L381 V405 I416 L417 Y436V315-V403 HydrophobicContact CG1-CG2 4.45Å; L319-V403 HydrophobicContact CD1-CG2 4.08Å; R380-V403 WeakPolarHBondContact O-CA 3.31Å; L381-V403 HydrophobicContact CD1-CG2 3.78Å; V403-V405 PolarHBondContact O-N 2.77Å; V403-I416 CarbonylContact O-C 3.16Å; V403-I416 VanDerWaalsContact O-CA 3.23Å; V403-I416 WeakPolarHBondContact O-CA 3.28Å; V403-L417 HydrophobicContact CB-CB 4.36Å; V403-L417 PolarHBondContact N-O 3.38Å; V403-L417 PolarHBondContact O-N 2.88Å; V403-Y436 HydrophobicContact CB-CD1 4.49Å; V403-Y436 HydrophobicContact CG1-CD1 4.2Å; V403-Y436 HydrophobicContact CG2-CD1 3.89Å
404V98Very high96.8Very high0 Ų043.1 Ų43.10%022%0.224CC..EExtended strand (participates in β ladder)trans-72.2116.9174.1177.70000108.9L377 N379 R380 L382 V407 F414 T415 I416L377-V404 HydrophobicContact CB-CG1 4.19Å; L377-V404 HydrophobicContact CB-CG2 4.5Å; L377-V404 VanDerWaalsContact O-CB 3.24Å; L377-V404 WeakPolarHBondContact O-CB 3.26Å; N379-V404 VanDerWaalsContact CA-O 3.26Å; N379-V404 WeakPolarHBondContact CA-O 3.35Å; N379-V404 PolarHBondContact N-O 3.35Å; R380-V404 PolarHBondContact O-N 3.4Å; L382-V404 HydrophobicContact CD1-CG2 3.54Å; L382-V404 HydrophobicContact CG-CG2 4Å; V404-V407 HydrophobicContact CG1-CG2 3.88Å; V404-F414 HydrophobicContact CG1-CB 4.48Å; V404-F414 HydrophobicContact CG2-CD2 4.21Å; V404-T415 CarbonylContact C-O 3.58Å; V404-I416 HydrophobicContact CG2-CG2 4.26Å
405V96.6Very high97Very high29 Ų2943.9 Ų43.918%0.17623%0.229CC..EExtended strand (participates in β ladder)trans-91.3-36.9-179.3-1780000111.2K378 V403 T415 L417K378-V405 WeakPolarHBondContact CE-O 3.26Å; V403-V405 PolarHBondContact O-N 2.77Å; V405-T415 PolarHBondContact N-O 2.8Å; V405-L417 HydrophobicContact CG2-CB 3.65Å
406N96.4Very high97.3Very high82 Ų8240.5 Ų40.544%0.43921%0.214SC..EExtended strand (participates in β ladder)trans-151155.4-176.6-16734.9000111.8F414 T415N406-F414 CarbonylContact O-C 3.58Å; N406-F414 WeakPolarHBondContact O-CA 3.37Å; N406-F414 WeakPolarHBondContact O-CB 3.24Å; N406-T415 PolarHBondContact N-O 2.85Å; N406-T415 PolarHBondContact O-N 3.11Å
407V97.9Very high97.3Very high8 Ų840.2 Ų40.25%0.04821%0.21CC..EExtended strand (participates in β ladder)trans-129.3131.7173.7-179.70000107.7V373 S374 L377 V404 F414V373-V407 HydrophobicContact CG1-CG1 3.69Å; S374-V407 WeakPolarHBondContact O-CG2 3.35Å; L377-V407 HydrophobicContact CB-CG2 4.39Å; V404-V407 HydrophobicContact CG1-CG2 3.88Å; V407-F414 HydrophobicContact CG2-CB 4.05Å
408S97Very high97.3Very high24 Ų2439.2 Ų39.217%0.16820%0.204CC..  trans-62.8154.5-179.168.90000111.4D410 K411 S412 S413S408-D410 VanDerWaalsContact C-N 3.28Å; S408-D410 VanDerWaalsContact CB-OD1 3.24Å; S408-D410 WeakPolarHBondContact CB-OD1 3.18Å; S408-D410 PolarHBondContact O-N 3.5Å; S408-D410 PolarHBondContact OG-OD1 3.35Å; S408-K411 PolarHBondContact O-N 3.2Å; S408-K411 PolarHBondContact OG-N 2.92Å; S408-S412 PolarHBondContact OG-N 2.85Å; S408-S413 WeakPolarHBondContact CB-O 3.45Å; S408-S413 WeakPolarHBondContact CB-OG 3.47Å; S408-S413 PolarHBondContact N-O 2.9Å; S408-S413 PolarHBondContact OG-N 3.41Å; S408-S413 VanDerWaalsContact OG-N 3.08Å; S408-S413 PolarHBondContact OG-O 3.04Å; S408-S413 VanDerWaalsContact OG-O 3.06Å; S408-S413 PolarHBondContact OG-OG 2.82Å
409E95.7Very high97.2Very high162 Ų16241.3 Ų41.376%0.75722%0.218SC*.THydrogen-bonded Turntrans-63-36.5-176.1-58.6-160.5136.500112.9R375 K411R375-E409 IonicContact NH2-OE1 3.21Å; E409-K411 VanDerWaalsContact C-N 3.27Å; E409-K411 PolarHBondContact O-N 3.15Å
410D95.8Very high97Very high111 Ų11137.4 Ų37.459%0.59421%0.21SC*.THydrogen-bonded Turntrans-81.5-1.917668.7-17.5000113.4S408 S412S408-D410 VanDerWaalsContact C-N 3.28Å; S408-D410 VanDerWaalsContact CB-OD1 3.24Å; S408-D410 WeakPolarHBondContact CB-OD1 3.18Å; S408-D410 PolarHBondContact O-N 3.5Å; S408-D410 PolarHBondContact OG-OD1 3.35Å; D410-S412 PolarHBondContact O-N 3.19Å; D410-S412 VanDerWaalsContact O-N 3.1Å; D410-S412 PolarHBondContact OD1-N 3.01Å; D410-S412 PolarHBondContact OD1-OG 2.54Å; D410-S412 WeakPolarHBondContact OD2-CB 3.15Å; D410-S412 PolarHBondContact OD2-OG 3.08Å
411K96Very high96.9Very high121 Ų12140.3 Ų40.353%0.52623%0.226SC..SBendtrans60.711.8-178.4-49.5170.8-177.3178.70114.5S337 S408 E409 S413S337-K411 VanDerWaalsContact CB-O 3.3Å; S337-K411 WeakPolarHBondContact CB-O 3.43Å; S337-K411 PolarHBondContact OG-O 3.34Å; S408-K411 PolarHBondContact O-N 3.2Å; S408-K411 PolarHBondContact OG-N 2.92Å; E409-K411 VanDerWaalsContact C-N 3.27Å; E409-K411 PolarHBondContact O-N 3.15Å; K411-S413 VanDerWaalsContact C-N 3.27Å; K411-S413 PolarHBondContact O-N 2.98Å
412S96.7Very high96.8Very high59 Ų5946 Ų4641%0.41325%0.253SS..SBendtrans-74.3-19.2179.768.60000113.1S337 S408 D410S337-S412 WeakPolarHBondContact CB-O 3.28Å; S337-S412 PolarHBondContact N-O 3.38Å; S337-S412 VanDerWaalsContact OG-C 3.24Å; S337-S412 PolarHBondContact OG-O 3.06Å; S408-S412 PolarHBondContact OG-N 2.85Å; D410-S412 PolarHBondContact O-N 3.19Å; D410-S412 VanDerWaalsContact O-N 3.1Å; D410-S412 PolarHBondContact OD1-N 3.01Å; D410-S412 PolarHBondContact OD1-OG 2.54Å; D410-S412 WeakPolarHBondContact OD2-CB 3.15Å; D410-S412 PolarHBondContact OD2-OG 3.08Å
413S97.8Very high96.7Very high27 Ų2749.6 Ų49.619%0.18928%0.276CS..EExtended strand (participates in β ladder)trans-148.9162178.859.50000112.7L335 S337 S408 K411L335-S413 CarbonylContact O-C 3.57Å; L335-S413 WeakPolarHBondContact O-CA 3.49Å; L335-S413 WeakPolarHBondContact O-CB 3.21Å; S337-S413 PolarHBondContact OG-N 2.93Å; S408-S413 WeakPolarHBondContact CB-O 3.45Å; S408-S413 WeakPolarHBondContact CB-OG 3.47Å; S408-S413 PolarHBondContact N-O 2.9Å; S408-S413 PolarHBondContact OG-N 3.41Å; S408-S413 VanDerWaalsContact OG-N 3.08Å; S408-S413 PolarHBondContact OG-O 3.04Å; S408-S413 VanDerWaalsContact OG-O 3.06Å; S408-S413 PolarHBondContact OG-OG 2.82Å; K411-S413 VanDerWaalsContact C-N 3.27Å; K411-S413 PolarHBondContact O-N 2.98Å
414F98.1Very high96.7Very high1 Ų150.1 Ų50.10%0.00428%0.28CS..EExtended strand (participates in β ladder)trans-142.9147173.661.6-81.4000109.9T334 L335 Y340 V373 V404 N406 V407 I416 F429T334-F414 WeakPolarHBondContact CA-O 3.48Å; L335-F414 HydrophobicContact CB-CE1 4.11Å; L335-F414 HydrophobicContact CB-CE2 4.21Å; L335-F414 HydrophobicContact CB-CZ 3.91Å; L335-F414 HydrophobicContact CD1-CE2 3.91Å; L335-F414 HydrophobicContact CD1-CZ 3.95Å; L335-F414 PolarHBondContact N-O 3.46Å; L335-F414 PolarHBondContact O-N 3.32Å; Y340-F414 HydrophobicContact CG-CZ 4.35Å; V373-F414 HydrophobicContact CG1-CB 4.33Å; V373-F414 HydrophobicContact CG1-CD1 4.11Å; V373-F414 HydrophobicContact CG2-CD1 4.2Å; V373-F414 HydrophobicContact CG2-CE1 4.31Å; V404-F414 HydrophobicContact CG1-CB 4.48Å; V404-F414 HydrophobicContact CG2-CD2 4.21Å; N406-F414 CarbonylContact O-C 3.58Å; N406-F414 WeakPolarHBondContact O-CA 3.37Å; N406-F414 WeakPolarHBondContact O-CB 3.24Å; V407-F414 HydrophobicContact CG2-CB 4.05Å; F414-I416 HydrophobicContact CD2-CG2 3.74Å; F414-I416 HydrophobicContact CE2-CG2 3.65Å; F414-F429 HydrophobicContact CE2-CE2 4.23Å; F414-F429 HydrophobicContact CZ-CE2 4.09Å
415T97.8Very high96.6Very high21 Ų2154.9 Ų54.913%0.12931%0.311CS..EExtended strand (participates in β ladder)trans-101.9127.8179.8-550000109.2Q332 I333 T334 V404 V405 N406Q332-T415 HydrophobicContact CB-CG2 3.97Å; I333-T415 CarbonylContact O-C 3.57Å; I333-T415 WeakPolarHBondContact O-CA 3.5Å; T334-T415 PolarHBondContact OG1-OG1 2.83Å; V404-T415 CarbonylContact C-O 3.58Å; V405-T415 PolarHBondContact N-O 2.8Å; N406-T415 PolarHBondContact N-O 2.85Å; N406-T415 PolarHBondContact O-N 3.11Å
416I98.1Very high96.7Very high0 Ų055.1 Ų55.10%031%0.311CS..EExtended strand (participates in β ladder)trans-107.1150.8175.558.3161.7000111.2Q332 I333 L335 V402 V403 V404 F414 P424Q332-I416 CarbonylContact C-O 3.54Å; Q332-I416 VanDerWaalsContact CA-O 3.26Å; Q332-I416 WeakPolarHBondContact CA-O 3.19Å; I333-I416 HydrophobicContact CB-CD1 4.49Å; I333-I416 HydrophobicContact CB-CG1 4.04Å; I333-I416 PolarHBondContact N-O 3.02Å; I333-I416 VanDerWaalsContact O-CG1 3.32Å; I333-I416 WeakPolarHBondContact O-CG1 3.36Å; I333-I416 PolarHBondContact O-N 3.39Å; L335-I416 HydrophobicContact CD1-CD1 3.72Å; L335-I416 HydrophobicContact CD1-CG1 4.07Å; L335-I416 HydrophobicContact CD1-CG2 4.31Å; L335-I416 HydrophobicContact CG-CD1 4.32Å; L335-I416 HydrophobicContact CG-CG1 4.28Å; V402-I416 HydrophobicContact CB-CB 4.22Å; V402-I416 HydrophobicContact CB-CD1 3.99Å; V402-I416 HydrophobicContact CG1-CD1 3.88Å; V402-I416 HydrophobicContact CG2-CB 4.34Å; V402-I416 HydrophobicContact CG2-CD1 4.13Å; V402-I416 HydrophobicContact CG2-CG2 4.16Å; V403-I416 CarbonylContact O-C 3.16Å; V403-I416 VanDerWaalsContact O-CA 3.23Å; V403-I416 WeakPolarHBondContact O-CA 3.28Å; V404-I416 HydrophobicContact CG2-CG2 4.26Å; F414-I416 HydrophobicContact CD2-CG2 3.74Å; F414-I416 HydrophobicContact CE2-CG2 3.65Å; I416-P424 HydrophobicContact CD1-CG 3.73Å
417L97.7Very high96.8Very high6 Ų654.5 Ų54.53%0.03131%0.307CS..EExtended strand (participates in β ladder)trans-93.7118.5162.5-168.462.6000107.8L319 P330 H331 Q332 V402 V403 V405 D438L319-L417 HydrophobicContact CD1-CD2 3.88Å; L319-L417 HydrophobicContact CD1-CG 4.45Å; P330-L417 HydrophobicContact CB-CD1 3.73Å; P330-L417 HydrophobicContact CB-CG 3.85Å; P330-L417 HydrophobicContact CG-CD1 3.81Å; P330-L417 HydrophobicContact CG-CD2 4.25Å; P330-L417 HydrophobicContact CG-CG 4.06Å; H331-L417 CarbonylContact O-C 3.59Å; H331-L417 WeakPolarHBondContact O-CA 3.47Å; Q332-L417 HydrophobicContact CG-CD1 4.13Å; V402-L417 WeakPolarHBondContact CA-O 3.31Å; V402-L417 WeakPolarHBondContact CB-O 3.32Å; V403-L417 HydrophobicContact CB-CB 4.36Å; V403-L417 PolarHBondContact N-O 3.38Å; V403-L417 PolarHBondContact O-N 2.88Å; V405-L417 HydrophobicContact CG2-CB 3.65Å; L417-D438 HydrophobicContact CD2-CB 3.94Å
418S97.6Very high96.8Very high5 Ų554.7 Ų54.74%0.03531%0.308CS..EExtended strand (participates in β ladder)trans-124.5137.9-172.2172.80000110.8P330 H331 S420P330-S418 CarbonylContact C-O 3.59Å; P330-S418 VanDerWaalsContact CA-O 3.31Å; P330-S418 WeakPolarHBondContact CA-O 3.36Å; P330-S418 WeakPolarHBondContact CB-O 3.39Å; H331-S418 PolarHBondContact N-O 3.13Å; H331-S418 PolarHBondContact O-N 3.07Å; S418-S420 WeakPolarHBondContact CB-O 3.33Å; S418-S420 PolarHBondContact O-N 2.76Å; S418-S420 PolarHBondContact OG-N 2.79Å; S418-S420 VanDerWaalsContact OG-N 3.12Å; S418-S420 PolarHBondContact OG-O 3.46Å
419P94.9Very high96.9Very high57 Ų5753.5 Ų53.537%0.3730%0.3SS..SBendtrans-67.1-18.5171.728.8-34.6000112.9Y318 F401Y318-P419 HydrophobicContact CE1-CG 3.99Å; F401-P419 WeakPolarHBondContact O-CD 3.35Å
420S94Very high97Very high50 Ų5046.1 Ų46.135%0.3527%0.266SS..SBendtrans-106.6142.7177.8176.30000111.2I333 S418 H422I333-S420 WeakPolarHBondContact CD1-O 3.48Å; S418-S420 WeakPolarHBondContact CB-O 3.33Å; S418-S420 PolarHBondContact O-N 2.76Å; S418-S420 PolarHBondContact OG-N 2.79Å; S418-S420 VanDerWaalsContact OG-N 3.12Å; S418-S420 PolarHBondContact OG-O 3.46Å; S420-H422 PolarHBondContact O-N 2.81Å; S420-H422 PolarHBondContact OG-N 3.2Å
421P95.1Very high97Very high72 Ų7242.3 Ų42.347%0.46825%0.245SC..SBendtrans-73.2-11.3176.529.4-35.4000114
422H96.3Very high97.1Very high126 Ų12636.9 Ų36.958%0.58322%0.222SC*.SBendtrans-96.3155.3-178.7-53.7109.4000111.1I333 S420I333-H422 WeakPolarHBondContact CD1-O 3.36Å; S420-H422 PolarHBondContact O-N 2.81Å; S420-H422 PolarHBondContact OG-N 3.2Å
423P96.1Very high97Very high78 Ų7836.4 Ų36.451%0.50622%0.219SC..PPolyproline II helixtrans-51.3146.2168.7-2534.5000111.2
424P97.3Very high96.9Very high14 Ų1435.7 Ų35.79%0.09121%0.213CC..PPolyproline II helixtrans-53.1142.4177.8-30.239.6000111.9L335 V384 I416 N426 F429L335-P424 HydrophobicContact CD1-CG 4.38Å; V384-P424 HydrophobicContact CG1-CB 3.96Å; V384-P424 HydrophobicContact CG2-CB 4.05Å; I416-P424 HydrophobicContact CD1-CG 3.73Å; P424-N426 PolarHBondContact O-N 3.24Å; P424-N426 VanDerWaalsContact O-N 3.09Å; P424-F429 HydrophobicContact CB-CE1 3.87Å; P424-F429 HydrophobicContact CB-CZ 3.93Å; P424-F429 HydrophobicContact CG-CE1 4.21Å; P424-F429 HydrophobicContact CG-CZ 3.8Å
425P96.8Very high96.7Very high100 Ų10038.7 Ų38.765%0.64923%0.233SC*.SBendtrans-66.6-12.5-175.227.1-37.2000114.1V384 Y399V384-P425 HydrophobicContact CG1-CG 4.35Å; Y399-P425 HydrophobicContact CD1-CG 4.3Å; Y399-P425 HydrophobicContact CD2-CB 4.41Å; Y399-P425 HydrophobicContact CD2-CG 3.6Å; Y399-P425 HydrophobicContact CE2-CB 4.43Å; Y399-P425 HydrophobicContact CE2-CG 4.09Å; Y399-P425 HydrophobicContact CG-CG 3.7Å
426N97.6Very high96.6Very high33 Ų3337.9 Ų37.918%0.17623%0.228CC..  trans-139.1157.8177.3-161.74.1000110.3V384 S385 A387 Y399 P424 F429V384-N426 HydrophobicContact CG1-CB 4.32Å; S385-N426 WeakPolarHBondContact O-CB 3.29Å; S385-N426 PolarHBondContact O-ND2 3.02Å; A387-N426 PolarHBondContact O-ND2 3.1Å; Y399-N426 HydrophobicContact CD2-CB 4.38Å; Y399-N426 HydrophobicContact CE2-CB 4.16Å; P424-N426 PolarHBondContact O-N 3.24Å; P424-N426 VanDerWaalsContact O-N 3.09Å; N426-F429 WeakPolarHBondContact O-CE1 3.35Å
427N97.6Very high96.5Very high69 Ų6941 Ų4137%0.36925%0.247SC..SBendtrans-1050.4-175.673.9-19.5000114.5E339 Y340 S341E339-N427 VanDerWaalsContact O-CB 3.24Å; E339-N427 WeakPolarHBondContact O-CB 3.32Å; E339-N427 PolarHBondContact O-ND2 2.73Å; Y340-N427 WeakPolarHBondContact CA-O 3.27Å; Y340-N427 HydrophobicContact CD1-CB 3.83Å; Y340-N427 HydrophobicContact CE1-CB 4.09Å; Y340-N427 HydrophobicContact CG-CB 4.33Å; S341-N427 PolarHBondContact N-O 2.83Å
428L98.5Very high96.1Very high12 Ų1241.6 Ų41.66%0.06325%0.25CS..EExtended strand (participates in β ladder)trans-95.1114.9173.3-53.3-176.3000110Y343 S385 A387 V393Y343-L428 HydrophobicContact CE2-CD2 3.92Å; S385-L428 WeakPolarHBondContact CB-O 3.43Å; S385-L428 PolarHBondContact N-O 3.49Å; A387-L428 HydrophobicContact CB-CD1 4.21Å; V393-L428 HydrophobicContact CG2-CB 4.09Å; V393-L428 HydrophobicContact CG2-CD1 4.12Å
429F98.4Very high95.6Very high0 Ų044.7 Ų44.70%027%0.27CS..EExtended strand (participates in β ladder)trans-111.1145.7179.2-63.1-21.9000111.9L335 Y340 S341 I342 Y343 L382 A383 V384 F414 P424 N426L335-F429 HydrophobicContact CD1-CE2 3.98Å; L335-F429 HydrophobicContact CD1-CZ 4.07Å; Y340-F429 HydrophobicContact CD1-CD2 4.42Å; Y340-F429 HydrophobicContact CD1-CE1 4.05Å; Y340-F429 AromaticContact CD1-CE2 3.52Å; Y340-F429 HydrophobicContact CD1-CE2 3.52Å; Y340-F429 AromaticContact CD1-CZ 3.29Å; Y340-F429 HydrophobicContact CD1-CZ 3.29Å; Y340-F429 HydrophobicContact CE1-CE1 4.35Å; Y340-F429 HydrophobicContact CE1-CE2 4.24Å; Y340-F429 AromaticContact CE1-CZ 3.62Å; Y340-F429 HydrophobicContact CE1-CZ 3.62Å; Y340-F429 HydrophobicContact CG-CE2 4.16Å; Y340-F429 HydrophobicContact CG-CZ 4.33Å; S341-F429 PolarHBondContact O-N 3.33Å; I342-F429 CarbonylContact C-O 3.57Å; I342-F429 HydrophobicContact CG1-CB 4.15Å; I342-F429 HydrophobicContact CG1-CD2 4.13Å; Y343-F429 PolarHBondContact N-O 3.33Å; L382-F429 HydrophobicContact CB-CB 4.33Å; L382-F429 HydrophobicContact CD1-CB 4.31Å; L382-F429 HydrophobicContact CD1-CD2 3.72Å; L382-F429 HydrophobicContact CD1-CE2 4.46Å; L382-F429 HydrophobicContact CD1-CG 4.32Å; A383-F429 CarbonylContact O-C 3.5Å; A383-F429 VanDerWaalsContact O-CA 3.28Å; A383-F429 WeakPolarHBondContact O-CA 3.46Å; V384-F429 HydrophobicContact CB-CD1 4.4Å; V384-F429 HydrophobicContact CB-CE1 4.31Å; V384-F429 HydrophobicContact CG1-CD1 4.39Å; V384-F429 HydrophobicContact CG1-CE1 4.03Å; V384-F429 HydrophobicContact CG2-CD1 4.16Å; V384-F429 HydrophobicContact CG2-CE1 3.85Å; F414-F429 HydrophobicContact CE2-CE2 4.23Å; F414-F429 HydrophobicContact CZ-CE2 4.09Å; P424-F429 HydrophobicContact CB-CE1 3.87Å; P424-F429 HydrophobicContact CB-CZ 3.93Å; P424-F429 HydrophobicContact CG-CE1 4.21Å; P424-F429 HydrophobicContact CG-CZ 3.8Å; N426-F429 WeakPolarHBondContact O-CE1 3.35Å
430L97.7Very high94.8Very high6 Ų646.7 Ų46.73%0.03128%0.275CS..EExtended strand (participates in β ladder)trans-107.7120.7170.9175.954.1000110.2C192 Y343 V345 L382 A383 V393C192-L430 HydrophobicContact CB-CD2 3.86Å; C192-L430 WeakPolarHBondContact O-CD2 3.26Å; Y343-L430 CarbonylContact O-C 3.55Å; Y343-L430 WeakPolarHBondContact O-CA 3.44Å; Y343-L430 WeakPolarHBondContact O-CD1 3.46Å; V345-L430 HydrophobicContact CB-CD1 4.46Å; V345-L430 HydrophobicContact CG2-CD1 3.64Å; V345-L430 HydrophobicContact CG2-CD2 4.46Å; L382-L430 CarbonylContact C-O 3.57Å; L382-L430 WeakPolarHBondContact CA-O 3.49Å; A383-L430 HydrophobicContact CB-CB 4.28Å; A383-L430 PolarHBondContact N-O 2.77Å; A383-L430 PolarHBondContact O-N 2.87Å; V393-L430 HydrophobicContact CG1-CB 4.01Å; V393-L430 HydrophobicContact CG1-CD1 4.5Å
431L97.4Very high93.6Very high32 Ų3247.3 Ų47.317%0.16828%0.279CS..EExtended strand (participates in β ladder)trans-73.3128.7174.6177.763000110.8I342 Y343 V371 L377 R380 L382I342-L431 HydrophobicContact CG2-CB 3.96Å; Y343-L431 WeakPolarHBondContact O-CB 3.3Å; Y343-L431 PolarHBondContact O-N 2.79Å; V371-L431 HydrophobicContact CG1-CD2 4.49Å; V371-L431 HydrophobicContact CG2-CD2 4.28Å; L377-L431 HydrophobicContact CD2-CD1 4.12Å; L377-L431 HydrophobicContact CD2-CD2 4.28Å; R380-L431 HydrophobicContact CB-CD1 3.67Å; R380-L431 HydrophobicContact CG-CD1 4.03Å; L382-L431 HydrophobicContact CD2-CB 4.11Å; L382-L431 HydrophobicContact CD2-CD1 3.62Å; L382-L431 HydrophobicContact CD2-CG 4.5Å
432T96.6Very high91.8Very high6 Ų652.9 Ų52.94%0.03730%0.303CS..EExtended strand (participates in β ladder)trans-99.4163.5173.675.70000111.8G194 L381 I434G194-T432 WeakPolarHBondContact O-CA 3.3Å; L381-T432 WeakPolarHBondContact CB-OG1 3.45Å; L381-T432 HydrophobicContact CD2-CG2 4.16Å; L381-T432 HydrophobicContact CG-CG2 4.41Å; L381-T432 PolarHBondContact O-N 3.09Å; L381-T432 VanDerWaalsContact O-N 3.08Å; L381-T432 PolarHBondContact O-OG1 3.09Å; T432-I434 PolarHBondContact O-N 3.1Å; T432-I434 PolarHBondContact OG1-N 2.71Å
433S94.7Very high91.5Very high50 Ų5049.2 Ų49.235%0.3529%0.289SS..EExtended strand (participates in β ladder)trans-70.2-10.4170.956.10000113.9G194 H195 R380G194-S433 WeakPolarHBondContact O-CB 3.38Å; G194-S433 PolarHBondContact O-N 3.49Å; G194-S433 PolarHBondContact O-OG 2.95Å; H195-S433 WeakPolarHBondContact CA-OG 3.26Å; R380-S433 PolarHBondContact NH1-O 3.33Å
434I95.8Very high91.3Very high11 Ų1147.7 Ų47.76%0.05628%0.278CS..EExtended strand (participates in β ladder)trans-75.3133.1-176.8-56.5-62.3000110.6P164 A165 T196 V315 L381 T432P164-I434 HydrophobicContact CB-CD1 3.99Å; A165-I434 HydrophobicContact CB-CG1 4.29Å; T196-I434 HydrophobicContact CG2-CD1 3.46Å; T196-I434 VanDerWaalsContact CG2-CD1 3.46Å; V315-I434 HydrophobicContact CG2-CG2 4.27Å; L381-I434 HydrophobicContact CB-CB 4.06Å; L381-I434 HydrophobicContact CB-CG2 4.25Å; L381-I434 HydrophobicContact CD2-CB 3.91Å; L381-I434 HydrophobicContact CD2-CG1 4.1Å; L381-I434 HydrophobicContact CD2-CG2 4.14Å; L381-I434 PolarHBondContact N-O 3.31Å; T432-I434 PolarHBondContact O-N 3.1Å; T432-I434 PolarHBondContact OG1-N 2.71Å
435C95.5Very high91Very high65 Ų6549.6 Ų49.644%0.43929%0.288SS..EExtended strand (participates in β ladder)trans-112.1123.4167.7-174.20000107.4N379N379-C435 CarbonylContact O-C 3.43Å; N379-C435 WeakPolarHBondContact O-CA 3.24Å
436Y95.7Very high90.6Very high3 Ų346.6 Ų46.61%0.01227%0.267CS..  trans-129.5124.6-178.1173.6-99000109.6D312 V315 C316 L319 N379 V403 D438 P439D312-Y436 HydrophobicContact CB-CD2 4.43Å; V315-Y436 HydrophobicContact CB-CD2 3.75Å; V315-Y436 HydrophobicContact CB-CE2 4.05Å; V315-Y436 HydrophobicContact CB-CG 4.17Å; V315-Y436 HydrophobicContact CG1-CD1 3.88Å; V315-Y436 HydrophobicContact CG1-CD2 3.63Å; V315-Y436 HydrophobicContact CG1-CE1 4.23Å; V315-Y436 HydrophobicContact CG1-CE2 4Å; V315-Y436 HydrophobicContact CG1-CG 3.55Å; C316-Y436 WeakPolarHBondContact CA-OH 3.22Å; C316-Y436 HydrophobicContact CB-CE2 3.99Å; C316-Y436 WeakPolarHBondContact CB-OH 3.22Å; L319-Y436 HydrophobicContact CD1-CD1 4.29Å; L319-Y436 HydrophobicContact CD1-CE1 3.73Å; N379-Y436 VanDerWaalsContact CB-O 3.3Å; N379-Y436 WeakPolarHBondContact CB-O 3.36Å; N379-Y436 PolarHBondContact O-N 2.85Å; V403-Y436 HydrophobicContact CB-CD1 4.49Å; V403-Y436 HydrophobicContact CG1-CD1 4.2Å; V403-Y436 HydrophobicContact CG2-CD1 3.89Å; Y436-D438 HydrophobicContact CE1-CB 3.82Å; Y436-D438 PolarHBondContact OH-OD1 2.66Å; Y436-P439 VanDerWaalsContact OH-CD 3.24Å; Y436-P439 WeakPolarHBondContact OH-CD 3.48Å
437V94.3Very high90.2Very high67 Ų6747.4 Ų47.441%0.40627%0.273SS..  trans-104.6121172-176.20000107.4N379 P439 L442N379-V437 HydrophobicContact CB-CG2 4.33Å; V437-P439 WeakPolarHBondContact O-CD 3.31Å; V437-L442 HydrophobicContact CG1-CD1 4.29Å; V437-L442 HydrophobicContact CG1-CD2 4.35Å; V437-L442 HydrophobicContact CG1-CG 4.31Å
438D90.9Very high89.7Confident17 Ų1746 Ų469%0.09127%0.267CS..  trans-69.5119-178.4-170.335.7000110.5H320 L417 Y436 E440 S441H320-D438 IonicContact CD2-OD1 2.71Å; H320-D438 IonicContact CE1-OD1 3.92Å; H320-D438 IonicContact CE1-OD2 3.93Å; H320-D438 IonicContact NE2-OD1 3.8Å; H320-D438 PolarHBondContact NE2-OD1 2.95Å; H320-D438 IonicContact NE2-OD2 2.81Å; L417-D438 HydrophobicContact CD2-CB 3.94Å; Y436-D438 HydrophobicContact CE1-CB 3.82Å; Y436-D438 PolarHBondContact OH-OD1 2.66Å; D438-E440 PolarHBondContact O-N 2.99Å; D438-S441 WeakPolarHBondContact O-CB 3.37Å; D438-S441 PolarHBondContact O-N 3.17Å; D438-S441 PolarHBondContact O-OG 2.77Å
439P85.6Confident89.1Confident70 Ų7048.4 Ų48.446%0.45528%0.281SS..THydrogen-bonded Turntrans-66.1-19.3-176.226-34.5000113.3Y436 V437 S441Y436-P439 VanDerWaalsContact OH-CD 3.24Å; Y436-P439 WeakPolarHBondContact OH-CD 3.48Å; V437-P439 WeakPolarHBondContact O-CD 3.31Å; P439-S441 VanDerWaalsContact C-N 3.34Å
440E78.9Confident88.3Confident100 Ų10052.2 Ų52.247%0.46730%0.303SS..THydrogen-bonded Turntrans-84.5-8.5174.2-60.9-167.5176.900113.3H320 R327 D438H320-E440 IonicContact CE1-OE2 3.92Å; H320-E440 PolarHBondContact CE1-OE2 3.05Å; H320-E440 IonicContact ND1-OE1 2.81Å; H320-E440 IonicContact ND1-OE2 3.15Å; R327-E440 IonicContact CZ-OE1 3.87Å; R327-E440 IonicContact NE-OE1 3.28Å; R327-E440 IonicContact NH2-OE1 3.71Å; R327-E440 PolarHBondContact NH2-OE1 2.81Å; D438-E440 PolarHBondContact O-N 2.99Å
441S69.1Low87.6Confident62 Ų6256 Ų5643%0.43433%0.325SS..  trans-91.6-6.5176.673.50000114.1D438 P439D438-S441 WeakPolarHBondContact O-CB 3.37Å; D438-S441 PolarHBondContact O-N 3.17Å; D438-S441 PolarHBondContact O-OG 2.77Å; P439-S441 VanDerWaalsContact C-N 3.34Å
442L56.3Low86.7Confident189 Ų18958.2 Ų58.299%0.9934%0.34SS*.  trans-930175.2-66.2171.4000110.2V437V437-L442 HydrophobicContact CG1-CD1 4.29Å; V437-L442 HydrophobicContact CG1-CD2 4.35Å; V437-L442 HydrophobicContact CG1-CG 4.31Å

Retrieved 442 of 442 residues in 242.3 ms (Link to these results)

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