A0A087XEL5_POEFO Loading...

Hydroxymethylglutaryl-CoA synthase

Catalyzes the condensation of acetyl-CoA with acetoacetyl-CoA to form HMG-CoA.

AlphaFold DB (A0A3B3VAD6), UniProt , Accession A0A087XEL5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 519 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
1M36.8Very low41.7Very low234 Ų234123.5 Ų123.5100%1.15381%0.805SS**  085.10-72.5-79.3-9400108.5
2P31.8Very low44.9Very low131 Ų131123.5 Ų123.585%0.85181%0.805SS**  trans-79.1131.5167.53.815.8000108.4
3G34.2Very low48Very low75 Ų75126.4 Ų126.477%0.77379%0.79SS**  trans-60.5138.1-169.200000113.8A5G3-A5 PolarHBondContact O-N 2.91Å
4S46.8Very low51.4Low121 Ų121118.9 Ų118.985%0.84674%0.744SS**  trans-56.2101.3165.251.20000109.9
5A35.8Very low54.3Low94 Ų94120.5 Ų120.578%0.77774%0.736SS**  trans-60.1134.815800000107.9G3 N7G3-A5 PolarHBondContact O-N 2.91Å; A5-N7 PolarHBondContact O-N 2.75Å
6S37.1Very low57Low86 Ų86118.8 Ų118.860%0.60172%0.721SS**  trans-60137.9178.560.50000110.2T8S6-T8 PolarHBondContact O-N 3.02Å; S6-T8 PolarHBondContact OG-OG1 3.48Å
7N44.4Very low59.5Low170 Ų170111.9 Ų111.991%0.90968%0.679SS**THydrogen-bonded Turntrans-62.920.1-179.5-114.22000115A5A5-N7 PolarHBondContact O-N 2.75Å
8T40.9Very low61.7Low120 Ų120105.7 Ų105.774%0.73664%0.641SS**THydrogen-bonded Turntrans-11010.8-167.744.70000114.2S6S6-T8 PolarHBondContact O-N 3.02Å; S6-T8 PolarHBondContact OG-OG1 3.48Å
9C39.9Very low63.6Low124 Ų124100.2 Ų100.284%0.83861%0.608SS**SBendtrans-104.94.1-177.4-143.20000115.1
10L49.9Very low65.4Low142 Ų14297.2 Ų97.274%0.74359%0.588SS**SBendtrans-109.2119.5169.3-63.9170.3000107.2
11G61.3Low66.9Low61 Ų6192.8 Ų92.863%0.62956%0.562SS**PPolyproline II helixtrans-57.3165.3174.600000111.8
12P79.3Confident69.9Low124 Ų12481.6 Ų81.681%0.80551%0.507SS*.PPolyproline II helixtrans-58.7147.4174.627.2-33.9000110.2
13W86.1Confident73.1Confident161 Ų16175.4 Ų75.461%0.6147%0.466SS*.PPolyproline II helixtrans-53.9139.9176.7-70.547.9000109.5K15 E144W13-K15 PolarHBondContact O-N 3.29Å; W13-E144 HydrophobicContact CE3-CB 3.59Å; W13-E144 HydrophobicContact CE3-CG 3.93Å; W13-E144 HydrophobicContact CZ3-CB 3.59Å; W13-E144 HydrophobicContact CZ3-CG 4.22Å
14P94.6Very high76.1Confident22 Ų2271.9 Ų71.914%0.14343%0.43CS..PPolyproline II helixtrans-52.8135.3178.715.9-26.1000109.8V17 V143 E144 W148 P183 R191P14-V17 HydrophobicContact CB-CG2 3.9Å; P14-V17 HydrophobicContact CG-CG2 3.82Å; P14-V143 HydrophobicContact CB-CG1 4.47Å; P14-V143 HydrophobicContact CG-CG1 4.01Å; P14-V143 VanDerWaalsContact CG-O 3.28Å; P14-V143 WeakPolarHBondContact CG-O 3.43Å; P14-E144 HydrophobicContact CG-CG 4.44Å; P14-W148 HydrophobicContact CB-CE3 4.4Å; P14-W148 HydrophobicContact CB-CH2 4.33Å; P14-W148 HydrophobicContact CB-CZ3 3.91Å; P14-W148 HydrophobicContact CG-CE3 4.17Å; P14-W148 HydrophobicContact CG-CZ3 4.18Å; P14-P183 HydrophobicContact CB-CB 4Å; P14-R191 PolarHBondContact O-NH2 3.26Å
15K95.4Very high78.6Confident143 Ų14366.4 Ų66.462%0.62239%0.391SS*.SBendtrans-78.4148.2-176-67.4-174178-177.20111.2W13 V17 P183 N184W13-K15 PolarHBondContact O-N 3.29Å; K15-V17 VanDerWaalsContact C-N 3.28Å; K15-V17 PolarHBondContact O-N 3.26Å; K15-V17 VanDerWaalsContact O-N 3.17Å; K15-P183 WeakPolarHBondContact O-CA 3.49Å; K15-P183 WeakPolarHBondContact O-CB 3.32Å; K15-N184 PolarHBondContact O-N 3.07Å
16D97.8Very high81.6Confident93 Ų9362 Ų6250%0.49735%0.354SS..SBendtrans48.948.2167.7-53.6-32.9000113.4G18 N184 A185 A188D16-G18 PolarHBondContact O-N 3.33Å; D16-N184 PolarHBondContact O-N 2.8Å; D16-A185 WeakPolarHBondContact O-CB 3.42Å; D16-A185 PolarHBondContact O-N 2.87Å; D16-A188 HydrophobicContact CB-CB 3.86Å
17V98.8Very high84.5Confident2 Ų257.9 Ų57.91%0.01233%0.325CS..  trans-65129.3177.5179.30000109.3P14 K15 V140 V143 E144 I181 G182 F189P14-V17 HydrophobicContact CB-CG2 3.9Å; P14-V17 HydrophobicContact CG-CG2 3.82Å; K15-V17 VanDerWaalsContact C-N 3.28Å; K15-V17 PolarHBondContact O-N 3.26Å; K15-V17 VanDerWaalsContact O-N 3.17Å; V17-V140 HydrophobicContact CG1-CB 4.42Å; V17-V140 HydrophobicContact CG1-CG1 4.02Å; V17-V140 HydrophobicContact CG1-CG2 4.39Å; V17-V143 HydrophobicContact CB-CG1 4.42Å; V17-V143 HydrophobicContact CG1-CB 3.91Å; V17-V143 HydrophobicContact CG1-CG1 3.75Å; V17-V143 HydrophobicContact CG1-CG2 4.48Å; V17-V143 HydrophobicContact CG2-CG1 3.72Å; V17-E144 HydrophobicContact CB-CG 4.33Å; V17-E144 HydrophobicContact CG2-CG 3.87Å; V17-I181 HydrophobicContact CG1-CG2 4.25Å; V17-G182 WeakPolarHBondContact CA-O 3.44Å; V17-F189 WeakPolarHBondContact O-CD2 3.44Å; V17-F189 PolarHBondContact O-N 3.35Å
18G98.8Very high87.1Confident0 Ų050.1 Ų50.10%028%0.284CS..EExtended strand (participates in β ladder)trans174.6-154.417700000113.9D16 I20 I181 G182 A185 L187D16-G18 PolarHBondContact O-N 3.33Å; G18-I20 PolarHBondContact O-N 2.99Å; G18-I181 VanDerWaalsContact O-CA 3.31Å; G18-I181 WeakPolarHBondContact O-CA 3.21Å; G18-G182 PolarHBondContact N-O 3.32Å; G18-G182 PolarHBondContact O-N 2.77Å; G18-G182 VanDerWaalsContact O-N 3.11Å; G18-A185 WeakPolarHBondContact O-CB 3.47Å; G18-L187 CarbonylContact C-O 3.56Å; G18-L187 VanDerWaalsContact CA-O 3.29Å; G18-L187 WeakPolarHBondContact CA-O 3.24Å
19I98.9Very high89.9Confident0 Ų045 Ų450%025%0.252CS..EExtended strand (participates in β ladder)trans-82.2117.5-173.2-54.9167.9000109.6M22 M179 I181 A186 L187 L354 L387I19-M22 HydrophobicContact CG2-CB 4.41Å; I19-M179 HydrophobicContact CD1-SD 3.83Å; I19-M179 HydrophobicContact CG1-SD 4.39Å; I19-M179 HydrophobicContact CG2-CB 4.39Å; I19-I181 HydrophobicContact CB-CD1 4.37Å; I19-I181 HydrophobicContact CG1-CD1 3.76Å; I19-A186 PolarHBondContact O-N 3.15Å; I19-L187 HydrophobicContact CB-CB 4.22Å; I19-L187 HydrophobicContact CB-CD1 4.32Å; I19-L187 HydrophobicContact CD1-CD1 4.44Å; I19-L187 PolarHBondContact N-O 3.38Å; I19-L187 PolarHBondContact O-N 2.66Å; I19-L354 HydrophobicContact CD1-CD2 3.9Å; I19-L387 HydrophobicContact CD1-CD1 4.11Å
20I98.4Very high92.7Very high40 Ų4040 Ų4021%0.20522%0.216CC..EExtended strand (participates in β ladder)trans-90.3-48.6177.5-64.3174.3000110.3G18 Y152 L180 A185G18-I20 PolarHBondContact O-N 2.99Å; I20-Y152 HydrophobicContact CD1-CD1 3.79Å; I20-Y152 HydrophobicContact CD1-CE1 3.4Å; I20-L180 HydrophobicContact CB-CD2 4.4Å; I20-L180 HydrophobicContact CG2-CD2 4.29Å; I20-L180 PolarHBondContact N-O 2.85Å; I20-A185 HydrophobicContact CG1-CB 4.07Å
21A98.8Very high95Very high5 Ų533.3 Ų33.34%0.04118%0.18CC..EExtended strand (participates in β ladder)trans-137.9151.8-179.200000109.8M179 L180A21-M179 WeakPolarHBondContact O-CA 3.5Å; A21-L180 HydrophobicContact CB-CB 4.03Å; A21-L180 HydrophobicContact CB-CD2 4.49Å; A21-L180 PolarHBondContact O-N 2.95Å
22M98.7Very high96.8Very high0 Ų032 Ų320%016%0.159CC..EExtended strand (participates in β ladder)trans-139.7139.7177.4-173.4168.257.600109.8I19 R79 V177 A178 M179 L354 A355 I358 L402 L406I19-M22 HydrophobicContact CG2-CB 4.41Å; M22-R79 PolarHBondContact O-NH2 3.37Å; M22-V177 HydrophobicContact CG-CG1 3.78Å; M22-V177 HydrophobicContact SD-CG1 4Å; M22-A178 CarbonylContact C-O 3.58Å; M22-A178 WeakPolarHBondContact CA-O 3.3Å; M22-M179 HydrophobicContact CG-CG 4.02Å; M22-M179 HydrophobicContact SD-CG 4.23Å; M22-L354 HydrophobicContact CE-CG 4.39Å; M22-L354 HydrophobicContact SD-CD2 4.46Å; M22-A355 VanDerWaalsContact CE-CA 3.43Å; M22-A355 HydrophobicContact CE-CB 3.49Å; M22-A355 VanDerWaalsContact CE-CB 3.49Å; M22-A355 HydrophobicContact SD-CB 4.34Å; M22-I358 HydrophobicContact CE-CD1 3.74Å; M22-L402 HydrophobicContact CB-CD1 4.03Å; M22-L406 HydrophobicContact CE-CD1 3.48Å; M22-L406 VanDerWaalsContact CE-CD1 3.48Å
23E98.9Very high97.7Very high0 Ų026 Ų260%012%0.12CC..EExtended strand (participates in β ladder)trans-131.3146.8174.3-167.763.2-122.500109V72 R75 L76 R79 V177 A178 R412E23-V72 HydrophobicContact CB-CG2 3.99Å; E23-V72 HydrophobicContact CG-CG2 4Å; E23-V72 WeakPolarHBondContact O-CG2 3.22Å; E23-R75 HydrophobicContact CG-CB 4.01Å; E23-R75 HydrophobicContact CG-CG 3.8Å; E23-R75 WeakPolarHBondContact OE1-CD 3.46Å; E23-R75 IonicContact OE1-CZ 2.75Å; E23-R75 IonicContact OE1-NE 3.39Å; E23-R75 PolarHBondContact OE1-NE 3.15Å; E23-R75 IonicContact OE1-NH2 3.78Å; E23-L76 HydrophobicContact CB-CB 3.63Å; E23-L76 HydrophobicContact CB-CD1 3.93Å; E23-L76 HydrophobicContact CB-CG 4.1Å; E23-L76 HydrophobicContact CG-CB 4.24Å; E23-R79 WeakPolarHBondContact OE2-CD 3.26Å; E23-R79 IonicContact OE2-CZ 3.65Å; E23-R79 IonicContact OE2-NE 3.74Å; E23-R79 PolarHBondContact OE2-NE 2.69Å; E23-R79 IonicContact OE2-NH2 3.44Å; E23-R79 PolarHBondContact OE2-NH2 3.35Å; E23-R79 VanDerWaalsContact OE2-NH2 3.12Å; E23-V177 CarbonylContact O-C 3.3Å; E23-V177 VanDerWaalsContact O-CA 3.26Å; E23-V177 WeakPolarHBondContact O-CA 3.49Å; E23-V177 WeakPolarHBondContact O-CG1 3.45Å; E23-A178 PolarHBondContact N-O 3.25Å; E23-A178 PolarHBondContact O-N 2.92Å; E23-R412 IonicContact OE1-NH1 2.69Å
24L98.3Very high98.3Very high1 Ų120.2 Ų20.21%0.00511%0.107CC..EExtended strand (participates in β ladder)trans-128.5148.4178.162.2103.7000110.4F26 A176 V177 A355 L406 L409 R412L24-F26 HydrophobicContact CD1-CD1 3.53Å; L24-F26 HydrophobicContact CD1-CE1 3.24Å; L24-F26 HydrophobicContact CD1-CZ 4.33Å; L24-A176 CarbonylContact C-O 3.51Å; L24-A176 WeakPolarHBondContact CA-O 3.48Å; L24-V177 HydrophobicContact CB-CG2 4.19Å; L24-A355 HydrophobicContact CD2-CB 3.72Å; L24-L406 HydrophobicContact CD2-CD2 3.55Å; L24-L409 HydrophobicContact CD1-CD1 3.63Å; L24-L409 HydrophobicContact CD2-CD1 3.99Å; L24-L409 HydrophobicContact CG-CD1 4.48Å; L24-R412 PolarHBondContact O-NH2 3.39Å
25Y98.9Very high98.5Very high7 Ų722 Ų223%0.02711%0.113CC..EExtended strand (participates in β ladder)trans-132.7139.3171.6179.8-99.6000109.4E63 L68 T71 G175 A176 F450 T453Y25-E63 WeakPolarHBondContact CE1-OE1 3.37Å; Y25-E63 PolarHBondContact OH-OE1 2.9Å; Y25-L68 HydrophobicContact CD1-CD2 3.63Å; Y25-L68 HydrophobicContact CE1-CD2 3.34Å; Y25-T71 HydrophobicContact CD1-CG2 4.45Å; Y25-T71 HydrophobicContact CD2-CG2 3.39Å; Y25-T71 HydrophobicContact CE2-CG2 3.61Å; Y25-T71 HydrophobicContact CG-CG2 3.85Å; Y25-G175 CarbonylContact O-C 3.48Å; Y25-G175 WeakPolarHBondContact O-CA 3.38Å; Y25-A176 PolarHBondContact N-O 3.32Å; Y25-A176 PolarHBondContact O-N 2.84Å; Y25-F450 HydrophobicContact CE2-CD2 4.28Å; Y25-T453 HydrophobicContact CE2-CG2 4.32Å; Y25-T453 VanDerWaalsContact CE2-OG1 3.28Å; Y25-T453 WeakPolarHBondContact CE2-OG1 3.49Å; Y25-T453 WeakPolarHBondContact OH-CG2 3.29Å; Y25-T453 PolarHBondContact OH-OG1 3.19Å
26F98.8Very high98.6Very high0 Ų015.2 Ų15.20%08%0.083CC..  trans-142.4151.9169.745.2-107.3000108.3L24 L338 L409 R412 L413 R416 F450L24-F26 HydrophobicContact CD1-CD1 3.53Å; L24-F26 HydrophobicContact CD1-CE1 3.24Å; L24-F26 HydrophobicContact CD1-CZ 4.33Å; F26-L338 HydrophobicContact CD1-CD1 3.69Å; F26-L338 HydrophobicContact CE1-CD1 3.9Å; F26-L409 HydrophobicContact CE1-CD1 3.73Å; F26-L409 HydrophobicContact CZ-CD1 4.33Å; F26-R412 HydrophobicContact CE2-CB 4.37Å; F26-R412 HydrophobicContact CZ-CB 3.79Å; F26-L413 HydrophobicContact CD1-CD2 4.26Å; F26-L413 HydrophobicContact CD2-CD2 4.33Å; F26-L413 HydrophobicContact CE1-CD2 3.78Å; F26-L413 HydrophobicContact CE1-CG 4.02Å; F26-L413 HydrophobicContact CE2-CD2 3.88Å; F26-L413 HydrophobicContact CE2-CG 4.33Å; F26-L413 HydrophobicContact CZ-CB 4.44Å; F26-L413 HydrophobicContact CZ-CD2 3.58Å; F26-L413 HydrophobicContact CZ-CG 3.67Å; F26-R416 HydrophobicContact CD2-CG 4.44Å; F26-R416 HydrophobicContact CE2-CG 4.2Å; F26-F450 HydrophobicContact CD2-CE2 4.16Å; F26-F450 HydrophobicContact CE2-CE2 4.11Å; F26-F450 HydrophobicContact CE2-CZ 4.37Å; F26-F450 WeakPolarHBondContact O-CE2 3.45Å
27P98.6Very high98.7Very high0 Ų011.1 Ų11.10%06%0.061CC..  trans-58.5152.6179.8-26.136.3000112.8Q29 F58 C59 A174 R416P27-Q29 PolarHBondContact O-N 3.04Å; P27-F58 WeakPolarHBondContact CB-O 3.46Å; P27-C59 VanDerWaalsContact CG-SG 3.51Å; P27-A174 WeakPolarHBondContact CD-O 3.49Å; P27-A174 HydrophobicContact CG-CB 3.92Å; P27-R416 WeakPolarHBondContact O-CD 3.46Å
28S98.4Very high98.7Very high7 Ų718.7 Ų18.75%0.04910%0.097CC..SBendtrans-73.7-2.9-178.255.20000114.5R416 R417 D448 F450S28-R416 CarbonylContact O-C 3.45Å; S28-R416 WeakPolarHBondContact O-CA 3.44Å; S28-R416 WeakPolarHBondContact O-CB 3.27Å; S28-R417 PolarHBondContact O-N 3.3Å; S28-D448 VanDerWaalsContact CB-O 3.24Å; S28-D448 WeakPolarHBondContact CB-O 3.27Å; S28-D448 PolarHBondContact OG-O 2.94Å; S28-F450 VanDerWaalsContact CA-CE2 3.43Å
29Q98.4Very high98.6Very high12 Ų1223.7 Ų23.76%0.05612%0.118CC..EExtended strand (participates in β ladder)trans-127.3152-176.663.6-170.7-30.100112.3P27 G57 F58 R417 M419P27-Q29 PolarHBondContact O-N 3.04Å; Q29-G57 WeakPolarHBondContact O-CA 3.48Å; Q29-F58 HydrophobicContact CB-CZ 4.42Å; Q29-F58 VanDerWaalsContact CD-CE2 3.46Å; Q29-F58 HydrophobicContact CG-CD2 4.22Å; Q29-F58 HydrophobicContact CG-CE1 4.23Å; Q29-F58 HydrophobicContact CG-CE2 3.85Å; Q29-F58 HydrophobicContact CG-CZ 3.87Å; Q29-F58 WeakPolarHBondContact CG-O 3.21Å; Q29-F58 PolarHBondContact O-N 3.39Å; Q29-R417 VanDerWaalsContact CA-O 3.27Å; Q29-R417 WeakPolarHBondContact CA-O 3.49Å; Q29-M419 HydrophobicContact CB-CG 3.96Å
30Y98.8Very high98.6Very high21 Ų2126.4 Ų26.48%0.08213%0.133CC..EExtended strand (participates in β ladder)trans-146.1157.2176.270-92.5000112.1D32 R55 M56 R416 R417 K418 M419Y30-D32 HydrophobicContact CE2-CB 4.46Å; Y30-R55 HydrophobicContact CD2-CB 3.7Å; Y30-R55 HydrophobicContact CD2-CG 3.62Å; Y30-R55 HydrophobicContact CE2-CB 4.24Å; Y30-R55 VanDerWaalsContact CE2-CD 3.4Å; Y30-R55 HydrophobicContact CE2-CG 3.62Å; Y30-R55 HydrophobicContact CG-CB 4.18Å; Y30-R55 HydrophobicContact CG-CG 4.41Å; Y30-M56 CarbonylContact C-O 3.56Å; Y30-M56 WeakPolarHBondContact CA-O 3.36Å; Y30-M56 WeakPolarHBondContact CB-O 3.49Å; Y30-R416 HydrophobicContact CD1-CB 3.61Å; Y30-R416 HydrophobicContact CE1-CB 3.94Å; Y30-R417 PolarHBondContact N-O 3.03Å; Y30-K418 HydrophobicContact CD2-CG 4.41Å; Y30-K418 HydrophobicContact CE1-CB 4.21Å; Y30-K418 HydrophobicContact CE2-CB 3.86Å; Y30-K418 HydrophobicContact CE2-CD 4.16Å; Y30-K418 HydrophobicContact CE2-CG 3.68Å; Y30-M419 PolarHBondContact O-N 3.07Å
31V98.8Very high98.5Very high0 Ų027.9 Ų27.90%016%0.158CC..EExtended strand (participates in β ladder)trans-102.113716563.30000109.3L36 R55 M56 F58 P421 F424V31-L36 HydrophobicContact CG2-CB 4.48Å; V31-R55 WeakPolarHBondContact O-CA 3.32Å; V31-M56 HydrophobicContact CG1-CB 3.95Å; V31-M56 HydrophobicContact CG1-CE 3.73Å; V31-M56 PolarHBondContact N-O 3.07Å; V31-M56 PolarHBondContact O-N 3.15Å; V31-F58 HydrophobicContact CB-CE1 4.24Å; V31-P421 HydrophobicContact CG2-CB 4.36Å; V31-P421 HydrophobicContact CG2-CG 4.06Å; V31-F424 HydrophobicContact CB-CB 4.1Å; V31-F424 HydrophobicContact CB-CD1 4.48Å; V31-F424 HydrophobicContact CB-CD2 4.45Å; V31-F424 HydrophobicContact CB-CG 4.09Å; V31-F424 HydrophobicContact CG1-CD1 4.19Å; V31-F424 HydrophobicContact CG1-CD2 4.14Å; V31-F424 HydrophobicContact CG1-CE1 4.42Å; V31-F424 HydrophobicContact CG1-CE2 4.38Å; V31-F424 HydrophobicContact CG1-CG 4.04Å; V31-F424 HydrophobicContact CG2-CB 4.21Å; V31-F424 HydrophobicContact CG2-CD1 4.42Å; V31-F424 HydrophobicContact CG2-CG 4.37Å
32D98.8Very high98.5Very high33 Ų3329.3 Ų29.318%0.17617%0.166CC..EExtended strand (participates in β ladder)trans-78.9133.3178-168.7-79.6000110.4Y30 A34 E35 L36 K418Y30-D32 HydrophobicContact CE2-CB 4.46Å; D32-A34 WeakPolarHBondContact OD1-CB 3.35Å; D32-A34 PolarHBondContact OD1-N 3.06Å; D32-E35 HydrophobicContact CB-CB 4.23Å; D32-E35 HydrophobicContact CB-CG 4.1Å; D32-E35 PolarHBondContact O-N 3.36Å; D32-E35 PolarHBondContact OD1-N 3.47Å; D32-L36 WeakPolarHBondContact O-CB 3.29Å; D32-L36 PolarHBondContact O-N 3.1Å; D32-K418 HydrophobicContact CB-CD 4.07Å
33Q98.8Very high98.5Very high0 Ų033 Ų330%020%0.196CC..Hα-helixtrans-72-29.8-174-70.9-83.67.900112.6L36 E37 T48 Q53 A54 P170Q33-L36 PolarHBondContact O-N 3.14Å; Q33-E37 WeakPolarHBondContact O-CG 3.37Å; Q33-E37 PolarHBondContact O-N 3.31Å; Q33-T48 HydrophobicContact CB-CG2 3.98Å; Q33-Q53 VanDerWaalsContact CB-O 3.26Å; Q33-Q53 WeakPolarHBondContact CB-O 3.33Å; Q33-Q53 HydrophobicContact CG-CB 3.96Å; Q33-Q53 WeakPolarHBondContact CG-O 3.39Å; Q33-A54 VanDerWaalsContact CB-O 3.29Å; Q33-A54 WeakPolarHBondContact CB-O 3.48Å; Q33-A54 VanDerWaalsContact CG-C 3.44Å; Q33-A54 WeakPolarHBondContact CG-O 3.48Å; Q33-A54 PolarHBondContact N-O 3Å; Q33-P170 PolarHBondContact NE2-O 2.88Å
34A98.8Very high98.5Very high39 Ų3937.5 Ų37.532%0.32223%0.234SC..Hα-helixtrans-70.1-41.8175.300000110.6D32 L36 E37 E38 T48D32-A34 WeakPolarHBondContact OD1-CB 3.35Å; D32-A34 PolarHBondContact OD1-N 3.06Å; A34-L36 VanDerWaalsContact C-N 3.28Å; A34-L36 PolarHBondContact O-N 3.42Å; A34-E37 WeakPolarHBondContact O-CB 3.34Å; A34-E37 PolarHBondContact O-N 3.26Å; A34-E38 PolarHBondContact O-N 2.69Å; A34-T48 HydrophobicContact CB-CG2 4.21Å
35E98.8Very high98.5Very high58 Ų5838.3 Ų38.327%0.27124%0.243SC..Hα-helixtrans-64.5-34.9173.4-64.1-177.8-172.900111.5D32 E38 F39 K418 P421D32-E35 HydrophobicContact CB-CB 4.23Å; D32-E35 HydrophobicContact CB-CG 4.1Å; D32-E35 PolarHBondContact O-N 3.36Å; D32-E35 PolarHBondContact OD1-N 3.47Å; E35-E38 PolarHBondContact O-N 2.88Å; E35-F39 WeakPolarHBondContact O-CB 3.39Å; E35-F39 PolarHBondContact O-N 3.33Å; E35-K418 IonicContact OE1-NZ 3Å; E35-K418 PolarHBondContact OE1-NZ 2.85Å; E35-P421 HydrophobicContact CB-CG 3.78Å; E35-P421 WeakPolarHBondContact O-CG 3.26Å
36L98.5Very high98.4Very high1 Ų142.8 Ų42.81%0.00526%0.262CS..Hα-helixtrans-69.7-33.9175.4-167.563.4000112.5V31 D32 Q33 A34 E38 F39 D40 Y47 M56 P170 P421 F424V31-L36 HydrophobicContact CG2-CB 4.48Å; D32-L36 WeakPolarHBondContact O-CB 3.29Å; D32-L36 PolarHBondContact O-N 3.1Å; Q33-L36 PolarHBondContact O-N 3.14Å; A34-L36 VanDerWaalsContact C-N 3.28Å; A34-L36 PolarHBondContact O-N 3.42Å; L36-E38 VanDerWaalsContact C-N 3.34Å; L36-F39 HydrophobicContact CD1-CD1 4.28Å; L36-F39 PolarHBondContact O-N 2.99Å; L36-D40 WeakPolarHBondContact O-CB 3.28Å; L36-D40 PolarHBondContact O-N 3.36Å; L36-Y47 HydrophobicContact CB-CD2 4.45Å; L36-Y47 HydrophobicContact CB-CE2 4.42Å; L36-Y47 HydrophobicContact CD2-CE2 4.42Å; L36-Y47 HydrophobicContact CG-CE2 4.12Å; L36-M56 HydrophobicContact CD2-CE 4.25Å; L36-P170 HydrophobicContact CD2-CB 4.24Å; L36-P170 HydrophobicContact CD2-CG 4.37Å; L36-P421 HydrophobicContact CD1-CB 4.03Å; L36-F424 HydrophobicContact CD1-CD1 4.45Å
37E98.6Very high98.4Very high8 Ų843.1 Ų43.14%0.03726%0.263CS..Hα-helixtrans-59.1-46.1172.1-75170.1177.500111.2Q33 A34 G41 V42 A44 G45 K46 Y47 T48Q33-E37 WeakPolarHBondContact O-CG 3.37Å; Q33-E37 PolarHBondContact O-N 3.31Å; A34-E37 WeakPolarHBondContact O-CB 3.34Å; A34-E37 PolarHBondContact O-N 3.26Å; E37-G41 PolarHBondContact O-N 3.1Å; E37-V42 HydrophobicContact CB-CG2 3.81Å; E37-V42 HydrophobicContact CG-CG2 3.96Å; E37-V42 VanDerWaalsContact O-CG2 3.31Å; E37-V42 WeakPolarHBondContact O-CG2 3.48Å; E37-V42 PolarHBondContact O-N 3.03Å; E37-A44 WeakPolarHBondContact OE2-CA 3.46Å; E37-G45 VanDerWaalsContact CD-N 3.33Å; E37-G45 VanDerWaalsContact OE1-C 3.24Å; E37-G45 WeakPolarHBondContact OE1-CA 3.42Å; E37-G45 PolarHBondContact OE1-N 3.45Å; E37-G45 PolarHBondContact OE2-N 2.82Å; E37-K46 PolarHBondContact OE1-N 2.62Å; E37-K46 VanDerWaalsContact OE1-N 3.1Å; E37-Y47 HydrophobicContact CB-CD2 4.27Å; E37-Y47 HydrophobicContact CB-CE2 4.48Å; E37-Y47 HydrophobicContact CG-CD1 4.47Å; E37-Y47 HydrophobicContact CG-CD2 3.37Å; E37-Y47 HydrophobicContact CG-CE2 3.95Å; E37-Y47 HydrophobicContact CG-CG 3.66Å; E37-Y47 WeakPolarHBondContact OE1-CA 3.35Å; E37-Y47 WeakPolarHBondContact OE1-CB 3.19Å; E37-Y47 PolarHBondContact OE1-N 3.09Å; E37-T48 PolarHBondContact OE1-N 2.98Å; E37-T48 PolarHBondContact OE1-OG1 3.26Å
38E98.5Very high98.4Very high160 Ų16045.5 Ų45.575%0.74828%0.278SS*.Hα-helixtrans-63.6-45.9176.9-66.7179.1-175.800111.6A34 E35 L36 D40 G41A34-E38 PolarHBondContact O-N 2.69Å; E35-E38 PolarHBondContact O-N 2.88Å; L36-E38 VanDerWaalsContact C-N 3.34Å; E38-D40 PolarHBondContact O-N 2.99Å; E38-G41 PolarHBondContact O-N 3.28Å
39F98.1Very high98.4Very high105 Ų10549.9 Ų49.946%0.46130%0.304SS..Hα-helixtrans-63.1-41.2179.8-178.2-97.1000113E35 L36 G41 P421 A422 S425E35-F39 WeakPolarHBondContact O-CB 3.39Å; E35-F39 PolarHBondContact O-N 3.33Å; L36-F39 HydrophobicContact CD1-CD1 4.28Å; L36-F39 PolarHBondContact O-N 2.99Å; F39-G41 PolarHBondContact O-N 3.38Å; F39-P421 HydrophobicContact CB-CB 3.45Å; F39-P421 VanDerWaalsContact CB-CB 3.45Å; F39-P421 HydrophobicContact CB-CG 3.91Å; F39-P421 HydrophobicContact CD1-CB 3.84Å; F39-P421 HydrophobicContact CD2-CB 3.71Å; F39-P421 HydrophobicContact CE1-CB 4.5Å; F39-P421 HydrophobicContact CE2-CB 4.39Å; F39-P421 HydrophobicContact CG-CB 3.38Å; F39-P421 HydrophobicContact CG-CG 4.34Å; F39-A422 HydrophobicContact CE2-CB 4.12Å; F39-S425 WeakPolarHBondContact CE1-OG 3.42Å
40D97.6Very high98.3Very high58 Ų5851.1 Ų51.131%0.3132%0.32SS..THydrogen-bonded Turntrans-77.7-5.7178.6-72.5-14.2000113L36 E38 V42 Y47L36-D40 WeakPolarHBondContact O-CB 3.28Å; L36-D40 PolarHBondContact O-N 3.36Å; E38-D40 PolarHBondContact O-N 2.99Å; D40-V42 VanDerWaalsContact C-N 3.33Å; D40-V42 HydrophobicContact CB-CG1 4.17Å; D40-V42 HydrophobicContact CB-CG2 4.36Å; D40-V42 PolarHBondContact O-N 2.76Å; D40-Y47 WeakPolarHBondContact OD2-CE2 3.2Å; D40-Y47 PolarHBondContact OD2-OH 3.24Å
41G97.8Very high98.3Very high70 Ų7051.5 Ų51.572%0.72232%0.324SS*.THydrogen-bonded Turntrans6632.3-178.100000113.5E37 E38 F39E37-G41 PolarHBondContact O-N 3.1Å; E38-G41 PolarHBondContact O-N 3.28Å; F39-G41 PolarHBondContact O-N 3.38Å
42V98.2Very high98.3Very high36 Ų3652.4 Ų52.422%0.21833%0.333CS..PPolyproline II helixtrans-101163.3178.9-620000111.8E37 D40 K46 Y47E37-V42 HydrophobicContact CB-CG2 3.81Å; E37-V42 HydrophobicContact CG-CG2 3.96Å; E37-V42 VanDerWaalsContact O-CG2 3.31Å; E37-V42 WeakPolarHBondContact O-CG2 3.48Å; E37-V42 PolarHBondContact O-N 3.03Å; D40-V42 VanDerWaalsContact C-N 3.33Å; D40-V42 HydrophobicContact CB-CG1 4.17Å; D40-V42 HydrophobicContact CB-CG2 4.36Å; D40-V42 PolarHBondContact O-N 2.76Å; V42-K46 HydrophobicContact CB-CD 3.59Å; V42-K46 HydrophobicContact CG1-CD 3.83Å; V42-K46 HydrophobicContact CG2-CB 4.24Å; V42-K46 HydrophobicContact CG2-CD 3.92Å; V42-Y47 HydrophobicContact CG2-CE1 4.07Å; V42-Y47 HydrophobicContact CG2-CE2 3.95Å
43A98.1Very high98.3Very high76 Ų7650.9 Ų50.963%0.62832%0.324SS*.PPolyproline II helixtrans-63.6138.4178.100000111.8G45 K46A43-G45 PolarHBondContact O-N 2.81Å; A43-K46 VanDerWaalsContact O-CB 3.23Å; A43-K46 WeakPolarHBondContact O-CB 3.46Å; A43-K46 PolarHBondContact O-N 3.45Å
44A98.4Very high98.3Very high95 Ų9552.2 Ų52.279%0.78534%0.336SS*.THydrogen-bonded Turntrans-53.1134173.400000111E37E37-A44 WeakPolarHBondContact OE2-CA 3.46Å
45G98.1Very high98.3Very high19 Ų1952.7 Ų52.720%0.19633%0.329CS..THydrogen-bonded Turntrans90.3-8.6-176.400000114.8E37 A43 Y47 T48 V49 G50E37-G45 VanDerWaalsContact CD-N 3.33Å; E37-G45 VanDerWaalsContact OE1-C 3.24Å; E37-G45 WeakPolarHBondContact OE1-CA 3.42Å; E37-G45 PolarHBondContact OE1-N 3.45Å; E37-G45 PolarHBondContact OE2-N 2.82Å; A43-G45 PolarHBondContact O-N 2.81Å; G45-Y47 VanDerWaalsContact C-N 3.31Å; G45-Y47 PolarHBondContact O-N 3.26Å; G45-T48 WeakPolarHBondContact CA-OG1 3.27Å; G45-V49 CarbonylContact O-C 3.6Å; G45-V49 WeakPolarHBondContact O-CA 3.39Å; G45-V49 VanDerWaalsContact O-CB 3.3Å; G45-V49 WeakPolarHBondContact O-CB 3.46Å; G45-V49 PolarHBondContact O-N 3.5Å; G45-G50 PolarHBondContact O-N 3.46Å
46K98.1Very high98.3Very high100 Ų10050.1 Ų50.144%0.43532%0.317SS..THydrogen-bonded Turntrans-59-41.9-179.3-174.9-179.6178.6-173.90112.2E37 V42 A43 G50 L51E37-K46 PolarHBondContact OE1-N 2.62Å; E37-K46 VanDerWaalsContact OE1-N 3.1Å; V42-K46 HydrophobicContact CB-CD 3.59Å; V42-K46 HydrophobicContact CG1-CD 3.83Å; V42-K46 HydrophobicContact CG2-CB 4.24Å; V42-K46 HydrophobicContact CG2-CD 3.92Å; A43-K46 VanDerWaalsContact O-CB 3.23Å; A43-K46 WeakPolarHBondContact O-CB 3.46Å; A43-K46 PolarHBondContact O-N 3.45Å; K46-G50 CarbonylContact O-C 3.57Å; K46-G50 VanDerWaalsContact O-CA 3.23Å; K46-G50 WeakPolarHBondContact O-CA 3.42Å; K46-G50 PolarHBondContact O-N 3.27Å; K46-L51 PolarHBondContact O-N 3.41Å
47Y98.6Very high98.3Very high7 Ų750.1 Ų50.13%0.02732%0.317CS..THydrogen-bonded Turntrans-94.8-47.4179.3-51.8-22.2000110.6L36 E37 D40 V42 G45 V49 L51 G52 Q53 P170L36-Y47 HydrophobicContact CB-CD2 4.45Å; L36-Y47 HydrophobicContact CB-CE2 4.42Å; L36-Y47 HydrophobicContact CD2-CE2 4.42Å; L36-Y47 HydrophobicContact CG-CE2 4.12Å; E37-Y47 HydrophobicContact CB-CD2 4.27Å; E37-Y47 HydrophobicContact CB-CE2 4.48Å; E37-Y47 HydrophobicContact CG-CD1 4.47Å; E37-Y47 HydrophobicContact CG-CD2 3.37Å; E37-Y47 HydrophobicContact CG-CE2 3.95Å; E37-Y47 HydrophobicContact CG-CG 3.66Å; E37-Y47 WeakPolarHBondContact OE1-CA 3.35Å; E37-Y47 WeakPolarHBondContact OE1-CB 3.19Å; E37-Y47 PolarHBondContact OE1-N 3.09Å; D40-Y47 WeakPolarHBondContact OD2-CE2 3.2Å; D40-Y47 PolarHBondContact OD2-OH 3.24Å; V42-Y47 HydrophobicContact CG2-CE1 4.07Å; V42-Y47 HydrophobicContact CG2-CE2 3.95Å; G45-Y47 VanDerWaalsContact C-N 3.31Å; G45-Y47 PolarHBondContact O-N 3.26Å; Y47-V49 PolarHBondContact O-N 2.9Å; Y47-L51 HydrophobicContact CD1-CD1 3.91Å; Y47-L51 HydrophobicContact CG-CD1 4.39Å; Y47-L51 CarbonylContact O-C 3.56Å; Y47-L51 WeakPolarHBondContact O-CA 3.41Å; Y47-L51 VanDerWaalsContact O-CB 3.29Å; Y47-L51 WeakPolarHBondContact O-CB 3.46Å; Y47-L51 PolarHBondContact O-N 3.03Å; Y47-G52 PolarHBondContact O-N 3.41Å; Y47-Q53 PolarHBondContact O-N 3.12Å; Y47-Q53 VanDerWaalsContact O-N 3.1Å; Y47-P170 HydrophobicContact CD1-CB 4.03Å; Y47-P170 HydrophobicContact CD1-CG 4.02Å; Y47-P170 HydrophobicContact CD2-CB 3.91Å; Y47-P170 HydrophobicContact CD2-CG 4.02Å; Y47-P170 HydrophobicContact CE1-CB 4.13Å; Y47-P170 HydrophobicContact CE1-CG 3.59Å; Y47-P170 HydrophobicContact CE2-CB 4.01Å; Y47-P170 HydrophobicContact CE2-CG 3.58Å; Y47-P170 HydrophobicContact CG-CB 3.95Å; Y47-P170 HydrophobicContact CG-CG 4.24Å
48T98.5Very high98.3Very high50 Ų5050 Ų5031%0.30732%0.317SS..THydrogen-bonded Turntrans-68.5-32.9-175.254.70000113.9Q33 A34 E37 G45 G52 Q53Q33-T48 HydrophobicContact CB-CG2 3.98Å; A34-T48 HydrophobicContact CB-CG2 4.21Å; E37-T48 PolarHBondContact OE1-N 2.98Å; E37-T48 PolarHBondContact OE1-OG1 3.26Å; G45-T48 WeakPolarHBondContact CA-OG1 3.27Å; T48-G52 VanDerWaalsContact O-CA 3.31Å; T48-G52 WeakPolarHBondContact O-CA 3.34Å; T48-Q53 VanDerWaalsContact CA-O 3.29Å; T48-Q53 WeakPolarHBondContact CA-O 3.32Å
49V97.9Very high98.3Very high99 Ų9942.5 Ų42.560%0.628%0.282SS*.THydrogen-bonded Turntrans-110.3-44.8177.9-177.90000111.6G45 Y47 K269G45-V49 CarbonylContact O-C 3.6Å; G45-V49 WeakPolarHBondContact O-CA 3.39Å; G45-V49 VanDerWaalsContact O-CB 3.3Å; G45-V49 WeakPolarHBondContact O-CB 3.46Å; G45-V49 PolarHBondContact O-N 3.5Å; Y47-V49 PolarHBondContact O-N 2.9Å; V49-K269 VanDerWaalsContact O-CE 3.3Å; V49-K269 WeakPolarHBondContact O-CE 3.42Å
50G97.6Very high98.3Very high38 Ų3837.8 Ų37.839%0.39226%0.262SS..THydrogen-bonded Turntrans-65.8-45.1-177.700000112.4G45 K46 K269G45-G50 PolarHBondContact O-N 3.46Å; K46-G50 CarbonylContact O-C 3.57Å; K46-G50 VanDerWaalsContact O-CA 3.23Å; K46-G50 WeakPolarHBondContact O-CA 3.42Å; K46-G50 PolarHBondContact O-N 3.27Å; G50-K269 WeakPolarHBondContact O-CB 3.27Å; G50-K269 VanDerWaalsContact O-CG 3.29Å; G50-K269 WeakPolarHBondContact O-CG 3.23Å
51L98Very high98.3Very high30 Ų3035.7 Ų35.716%0.15725%0.251CS..THydrogen-bonded Turntrans-92.7-25.4172.4-54.5174.8000112.2K46 Y47 Q53 P170 T171 Y267 C268 K269K46-L51 PolarHBondContact O-N 3.41Å; Y47-L51 HydrophobicContact CD1-CD1 3.91Å; Y47-L51 HydrophobicContact CG-CD1 4.39Å; Y47-L51 CarbonylContact O-C 3.56Å; Y47-L51 WeakPolarHBondContact O-CA 3.41Å; Y47-L51 VanDerWaalsContact O-CB 3.29Å; Y47-L51 WeakPolarHBondContact O-CB 3.46Å; Y47-L51 PolarHBondContact O-N 3.03Å; L51-Q53 HydrophobicContact CB-CB 4.41Å; L51-Q53 HydrophobicContact CB-CG 3.91Å; L51-P170 HydrophobicContact CD1-CB 4.11Å; L51-T171 HydrophobicContact CD1-CG2 3.83Å; L51-T171 HydrophobicContact CD2-CG2 4.3Å; L51-Y267 HydrophobicContact CB-CD2 4.39Å; L51-Y267 HydrophobicContact CB-CG 4.45Å; L51-Y267 HydrophobicContact CD2-CD1 4.5Å; L51-Y267 HydrophobicContact CD2-CD2 4.07Å; L51-Y267 HydrophobicContact CD2-CE2 4.31Å; L51-Y267 HydrophobicContact CD2-CG 4.18Å; L51-C268 PolarHBondContact O-N 2.8Å; L51-K269 WeakPolarHBondContact O-CB 3.42Å; L51-K269 PolarHBondContact O-N 2.93Å
52G98.4Very high98.3Very high18 Ų1834 Ų3419%0.18622%0.223CC..  trans77.623.1-174.800000113.2Y47 T48 C268 S340Y47-G52 PolarHBondContact O-N 3.41Å; T48-G52 VanDerWaalsContact O-CA 3.31Å; T48-G52 WeakPolarHBondContact O-CA 3.34Å; G52-C268 WeakPolarHBondContact O-CB 3.07Å; G52-C268 PolarHBondContact O-SG 2.81Å; G52-S340 PolarHBondContact O-OG 3.4Å
53Q98.7Very high98.3Very high1 Ų132.5 Ų32.51%0.00521%0.213CC..  trans-102129.6-175.3-65.8-61.1107.800110.4Q33 Y47 T48 L51 C268 S339Q33-Q53 VanDerWaalsContact CB-O 3.26Å; Q33-Q53 WeakPolarHBondContact CB-O 3.33Å; Q33-Q53 HydrophobicContact CG-CB 3.96Å; Q33-Q53 WeakPolarHBondContact CG-O 3.39Å; Y47-Q53 PolarHBondContact O-N 3.12Å; Y47-Q53 VanDerWaalsContact O-N 3.1Å; T48-Q53 VanDerWaalsContact CA-O 3.29Å; T48-Q53 WeakPolarHBondContact CA-O 3.32Å; L51-Q53 HydrophobicContact CB-CB 4.41Å; L51-Q53 HydrophobicContact CB-CG 3.91Å; Q53-C268 PolarHBondContact OE1-SG 3.08Å; Q53-S339 PolarHBondContact NE2-O 3.26Å
54A98.8Very high98.3Very high29 Ų2929.1 Ų29.124%0.2418%0.184CC..  trans-98.8-42.8178.500000112.4Q33 S340Q33-A54 VanDerWaalsContact CB-O 3.29Å; Q33-A54 WeakPolarHBondContact CB-O 3.48Å; Q33-A54 VanDerWaalsContact CG-C 3.44Å; Q33-A54 WeakPolarHBondContact CG-O 3.48Å; Q33-A54 PolarHBondContact N-O 3Å; A54-S340 WeakPolarHBondContact CA-O 3.36Å; A54-S340 WeakPolarHBondContact CB-O 3.27Å; A54-S340 PolarHBondContact N-O 2.95Å
55R98.9Very high98.4Very high49 Ų4924.6 Ų24.619%0.18515%0.147CC..EExtended strand (participates in β ladder)trans-143.9149.4-175.7-62.9171.4-172.3154.6-13.2109.7Y30 V31 S340 Q341 N342 D414Y30-R55 HydrophobicContact CD2-CB 3.7Å; Y30-R55 HydrophobicContact CD2-CG 3.62Å; Y30-R55 HydrophobicContact CE2-CB 4.24Å; Y30-R55 VanDerWaalsContact CE2-CD 3.4Å; Y30-R55 HydrophobicContact CE2-CG 3.62Å; Y30-R55 HydrophobicContact CG-CB 4.18Å; Y30-R55 HydrophobicContact CG-CG 4.41Å; V31-R55 WeakPolarHBondContact O-CA 3.32Å; R55-S340 PolarHBondContact N-O 2.75Å; R55-Q341 VanDerWaalsContact CB-O 3.27Å; R55-Q341 WeakPolarHBondContact CB-O 3.44Å; R55-Q341 VanDerWaalsContact CD-OE1 3.3Å; R55-Q341 CarbonylContact O-C 3.52Å; R55-Q341 VanDerWaalsContact O-C 3.26Å; R55-N342 PolarHBondContact O-N 3.05Å; R55-D414 IonicContact CZ-OD1 3.72Å; R55-D414 IonicContact NH1-OD1 3.96Å; R55-D414 PolarHBondContact NH1-OD1 3.33Å
56M98.9Very high98.4Very high4 Ų424.2 Ų24.22%0.0214%0.14CC..EExtended strand (participates in β ladder)trans-124.8114.9178.7-176.3169.568.700109.8Y30 V31 L36 R169 G172 F424Y30-M56 CarbonylContact C-O 3.56Å; Y30-M56 WeakPolarHBondContact CA-O 3.36Å; Y30-M56 WeakPolarHBondContact CB-O 3.49Å; V31-M56 HydrophobicContact CG1-CB 3.95Å; V31-M56 HydrophobicContact CG1-CE 3.73Å; V31-M56 PolarHBondContact N-O 3.07Å; V31-M56 PolarHBondContact O-N 3.15Å; L36-M56 HydrophobicContact CD2-CE 4.25Å; M56-R169 WeakPolarHBondContact CE-O 3.25Å; M56-G172 WeakPolarHBondContact CG-O 3.48Å; M56-G172 VanDerWaalsContact SD-C 3.52Å; M56-G172 VanDerWaalsContact SD-CA 3.55Å; M56-G172 PolarHBondContact SD-N 3.21Å; M56-G172 VanDerWaalsContact SD-N 3.4Å; M56-F424 HydrophobicContact CE-CE1 3.94Å; M56-F424 HydrophobicContact CE-CE2 3.91Å; M56-F424 HydrophobicContact CE-CZ 3.38Å
57G98.8Very high98.4Very high0 Ų019.4 Ų19.40%012%0.12CC..EExtended strand (participates in β ladder)trans-77.5145.5175.300000110.8Q29 G173 A174 N342Q29-G57 WeakPolarHBondContact O-CA 3.48Å; G57-G173 CarbonylContact O-C 3.35Å; G57-G173 VanDerWaalsContact O-CA 3.29Å; G57-G173 WeakPolarHBondContact O-CA 3.46Å; G57-A174 PolarHBondContact O-N 2.81Å; G57-N342 WeakPolarHBondContact CA-OD1 3.34Å; G57-N342 PolarHBondContact N-O 3.43Å
58F98.8Very high98.5Very high7 Ų719.1 Ų19.13%0.03112%0.118CC..  trans-149.4152.2-178.764.8-90.4000111.6P27 Q29 V31 M419 F424 I427 M428P27-F58 WeakPolarHBondContact CB-O 3.46Å; Q29-F58 HydrophobicContact CB-CZ 4.42Å; Q29-F58 VanDerWaalsContact CD-CE2 3.46Å; Q29-F58 HydrophobicContact CG-CD2 4.22Å; Q29-F58 HydrophobicContact CG-CE1 4.23Å; Q29-F58 HydrophobicContact CG-CE2 3.85Å; Q29-F58 HydrophobicContact CG-CZ 3.87Å; Q29-F58 WeakPolarHBondContact CG-O 3.21Å; Q29-F58 PolarHBondContact O-N 3.39Å; V31-F58 HydrophobicContact CB-CE1 4.24Å; F58-M419 HydrophobicContact CE1-CB 4.17Å; F58-M419 HydrophobicContact CE1-CG 4.41Å; F58-M419 HydrophobicContact CZ-CB 3.86Å; F58-M419 HydrophobicContact CZ-CG 3.88Å; F58-F424 HydrophobicContact CB-CD2 4.34Å; F58-F424 HydrophobicContact CB-CE2 4.08Å; F58-F424 AromaticContact CD1-CD2 3.53Å; F58-F424 HydrophobicContact CD1-CD2 3.53Å; F58-F424 HydrophobicContact CD1-CE2 4.01Å; F58-F424 HydrophobicContact CD2-CD2 4.01Å; F58-F424 HydrophobicContact CD2-CE2 4.5Å; F58-F424 HydrophobicContact CE1-CB 4.2Å; F58-F424 AromaticContact CE1-CD2 3.7Å; F58-F424 HydrophobicContact CE1-CD2 3.7Å; F58-F424 HydrophobicContact CE1-CG 4.35Å; F58-F424 HydrophobicContact CE2-CD2 4.17Å; F58-F424 AromaticContact CG-CD2 3.69Å; F58-F424 HydrophobicContact CG-CD2 3.69Å; F58-F424 AromaticContact CG-CE2 3.94Å; F58-F424 HydrophobicContact CG-CE2 3.94Å; F58-F424 HydrophobicContact CZ-CB 4.18Å; F58-F424 HydrophobicContact CZ-CD2 4.02Å; F58-I427 HydrophobicContact CD2-CG2 4.18Å; F58-I427 HydrophobicContact CE2-CB 4.29Å; F58-I427 HydrophobicContact CE2-CD1 3.7Å; F58-I427 HydrophobicContact CE2-CG2 4.06Å; F58-I427 HydrophobicContact CZ-CD1 4.3Å; F58-M428 HydrophobicContact CB-CE 4.13Å; F58-M428 HydrophobicContact CD2-CE 3.92Å; F58-M428 HydrophobicContact CG-CE 4.33Å
59C98.6Very high98.5Very high2 Ų216.7 Ų16.71%0.01410%0.104CC..  trans-87.7143.9177.4-690000111P27 E63 I160P27-C59 VanDerWaalsContact CG-SG 3.51Å; C59-E63 HydrophobicContact CB-CB 3.84Å; C59-I160 HydrophobicContact CB-CD1 4.14Å
60S97.4Very high98.5Very high6 Ų612 Ų124%0.0428%0.075CC..  trans-84.1-171.4162.569.80000110.8R62 E63 S444S60-R62 PolarHBondContact O-N 3.24Å; S60-R62 PolarHBondContact OG-N 2.76Å; S60-E63 PolarHBondContact O-N 3.19Å; S60-S444 WeakPolarHBondContact CB-OG 3.46Å
61D97.5Very high98.6Very high14 Ų1410.4 Ų10.48%0.0756%0.058CC..THydrogen-bonded Turntrans-71.1-2.6174.369.9-22000113.8L430 Y440 P442 R443 S444D61-L430 HydrophobicContact CB-CD2 4.2Å; D61-Y440 HydrophobicContact CB-CE1 4.38Å; D61-Y440 PolarHBondContact OD2-OH 3.12Å; D61-P442 HydrophobicContact CB-CB 4.46Å; D61-P442 VanDerWaalsContact O-CB 3.3Å; D61-P442 WeakPolarHBondContact O-CB 3.33Å; D61-P442 WeakPolarHBondContact O-CG 3.01Å; D61-P442 VanDerWaalsContact OD2-CA 3.31Å; D61-P442 WeakPolarHBondContact OD2-CA 3.31Å; D61-R443 PolarHBondContact OD2-N 3.01Å; D61-S444 WeakPolarHBondContact OD1-CB 3.48Å; D61-S444 PolarHBondContact OD1-N 2.81Å; D61-S444 PolarHBondContact OD1-OG 3.01Å
62R98.1Very high98.6Very high35 Ų359 Ų913%0.1325%0.05CC..THydrogen-bonded Turntrans-83.4-17.5172.9-74.4-72.7-177.4-162.1-1.9114S60 P442 S444 L449 Y455 L456S60-R62 PolarHBondContact O-N 3.24Å; S60-R62 PolarHBondContact OG-N 2.76Å; R62-P442 HydrophobicContact CG-CB 4.37Å; R62-P442 PolarHBondContact NH2-O 2.93Å; R62-S444 PolarHBondContact NE-O 2.95Å; R62-S444 PolarHBondContact NH2-O 3.36Å; R62-L449 HydrophobicContact CB-CD1 4.41Å; R62-L449 HydrophobicContact CB-CD2 4.47Å; R62-Y455 CarbonylContact O-C 3.26Å; R62-Y455 VanDerWaalsContact O-CA 3.29Å; R62-Y455 WeakPolarHBondContact O-CA 3.46Å; R62-Y455 WeakPolarHBondContact O-CB 3.36Å; R62-L456 PolarHBondContact NH1-O 2.96Å; R62-L456 VanDerWaalsContact NH1-O 3.11Å; R62-L456 PolarHBondContact O-N 3.35Å
63E98.7Very high98.7Very high3 Ų38.1 Ų8.11%0.0144%0.042CC..  trans-120.6129.9-173.8-64.5172.9103.500111.2Y25 C59 S60 S67 L68 L449Y25-E63 WeakPolarHBondContact CE1-OE1 3.37Å; Y25-E63 PolarHBondContact OH-OE1 2.9Å; C59-E63 HydrophobicContact CB-CB 3.84Å; S60-E63 PolarHBondContact O-N 3.19Å; E63-S67 WeakPolarHBondContact CA-OG 3.37Å; E63-L68 HydrophobicContact CB-CD2 4.37Å; E63-L449 HydrophobicContact CG-CD2 3.86Å
64D98.8Very high98.7Very high6 Ų69.4 Ų9.43%0.0325%0.048CC..  trans-132.4175.4172.971.418.3000110.3N66 S67 L68 R465 Y467D64-N66 PolarHBondContact O-N 2.77Å; D64-N66 WeakPolarHBondContact OD1-CB 3.49Å; D64-N66 PolarHBondContact OD1-N 2.65Å; D64-S67 PolarHBondContact N-OG 3.17Å; D64-S67 VanDerWaalsContact N-OG 3.13Å; D64-S67 PolarHBondContact O-N 2.81Å; D64-S67 PolarHBondContact O-OG 3.4Å; D64-S67 PolarHBondContact OD1-N 2.97Å; D64-L68 WeakPolarHBondContact O-CG 3.04Å; D64-L68 PolarHBondContact O-N 3.32Å; D64-R465 WeakPolarHBondContact OD2-CD 3.4Å; D64-R465 IonicContact OD2-CZ 2.96Å; D64-R465 IonicContact OD2-NE 3.65Å; D64-R465 IonicContact OD2-NH1 3.74Å; D64-R465 PolarHBondContact OD2-NH1 3.34Å; D64-Y467 WeakPolarHBondContact OD1-CE1 3.43Å; D64-Y467 PolarHBondContact OD1-OH 3.49Å; D64-Y467 PolarHBondContact OD2-OH 2.93Å
65I98.9Very high98.7Very high0 Ų011.7 Ų11.70%05%0.05CC..Hα-helixtrans-53.6-39.7-177.9-178.257000113.1C69 T94 T96 I98 V104 G158I65-C69 WeakPolarHBondContact O-CB 3.33Å; I65-C69 PolarHBondContact O-N 2.96Å; I65-C69 PolarHBondContact O-SG 3.34Å; I65-T94 WeakPolarHBondContact CD1-OG1 3.38Å; I65-T94 HydrophobicContact CG1-CG2 4.45Å; I65-T96 HydrophobicContact CB-CG2 3.95Å; I65-T96 HydrophobicContact CG2-CG2 4.38Å; I65-I98 HydrophobicContact CG2-CD1 3.57Å; I65-I98 HydrophobicContact CG2-CG1 3.72Å; I65-I98 HydrophobicContact CG2-CG2 4.25Å; I65-V104 HydrophobicContact CG1-CG2 3.95Å; I65-V104 HydrophobicContact CG2-CG2 4.2Å; I65-G158 WeakPolarHBondContact CD1-O 3.35Å
66N98.9Very high98.7Very high10 Ų109.3 Ų9.35%0.0534%0.041CC..Hα-helixtrans-66.8-44.2179.5-67.8-26.9000110.6D64 C69 L70 I98 V107 Y467D64-N66 PolarHBondContact O-N 2.77Å; D64-N66 WeakPolarHBondContact OD1-CB 3.49Å; D64-N66 PolarHBondContact OD1-N 2.65Å; N66-C69 PolarHBondContact O-N 2.95Å; N66-L70 WeakPolarHBondContact O-CB 3.43Å; N66-L70 VanDerWaalsContact O-CG 3.26Å; N66-L70 WeakPolarHBondContact O-CG 3.35Å; N66-L70 PolarHBondContact O-N 3.21Å; N66-I98 WeakPolarHBondContact ND2-CD1 3.39Å; N66-V107 HydrophobicContact CB-CG1 3.92Å; N66-Y467 HydrophobicContact CB-CE1 4.06Å; N66-Y467 HydrophobicContact CB-CE2 4.1Å; N66-Y467 WeakPolarHBondContact CB-OH 3.33Å; N66-Y467 PolarHBondContact ND2-OH 2.94Å
67S98.9Very high98.7Very high0 Ų09.3 Ų9.30%04%0.041CC..Hα-helixtrans-68.1-36.6-178.790.70000111.9E63 D64 T71 W454E63-S67 WeakPolarHBondContact CA-OG 3.37Å; D64-S67 PolarHBondContact N-OG 3.17Å; D64-S67 VanDerWaalsContact N-OG 3.13Å; D64-S67 PolarHBondContact O-N 2.81Å; D64-S67 PolarHBondContact O-OG 3.4Å; D64-S67 PolarHBondContact OD1-N 2.97Å; S67-T71 WeakPolarHBondContact O-CB 3.32Å; S67-T71 PolarHBondContact O-N 2.87Å; S67-T71 PolarHBondContact O-OG1 3.02Å; S67-W454 VanDerWaalsContact CB-O 3.25Å; S67-W454 WeakPolarHBondContact CB-O 3.46Å; S67-W454 PolarHBondContact OG-O 3.31Å
68L98.9Very high98.7Very high0 Ų013.2 Ų13.20%06%0.059CC..Hα-helixtrans-59.6-47.9171-62.1-174.5000111.1Y25 E63 D64 T71 V72 I160 A176Y25-L68 HydrophobicContact CD1-CD2 3.63Å; Y25-L68 HydrophobicContact CE1-CD2 3.34Å; E63-L68 HydrophobicContact CB-CD2 4.37Å; D64-L68 WeakPolarHBondContact O-CG 3.04Å; D64-L68 PolarHBondContact O-N 3.32Å; L68-T71 PolarHBondContact O-N 3.4Å; L68-V72 PolarHBondContact O-N 3.4Å; L68-V72 VanDerWaalsContact O-N 3.1Å; L68-I160 HydrophobicContact CD1-CD1 4.13Å; L68-I160 HydrophobicContact CD1-CG1 3.65Å; L68-A176 HydrophobicContact CB-CB 4.09Å
69C98.9Very high98.6Very high0 Ų017 Ų170%07%0.073CC..Hα-helixtrans-68.6-42.5-179-68.30000112.7I65 N66 T71 V72 V73 V104 L108 V156I65-C69 WeakPolarHBondContact O-CB 3.33Å; I65-C69 PolarHBondContact O-N 2.96Å; I65-C69 PolarHBondContact O-SG 3.34Å; N66-C69 PolarHBondContact O-N 2.95Å; C69-T71 VanDerWaalsContact C-N 3.29Å; C69-T71 PolarHBondContact O-N 3.45Å; C69-V72 WeakPolarHBondContact O-CG1 3.31Å; C69-V72 PolarHBondContact O-N 2.95Å; C69-V73 WeakPolarHBondContact O-CB 3.3Å; C69-V73 VanDerWaalsContact O-CG2 3.28Å; C69-V73 WeakPolarHBondContact O-CG2 3.4Å; C69-V73 PolarHBondContact O-N 3.14Å; C69-V104 HydrophobicContact CB-CG1 3.95Å; C69-L108 HydrophobicContact CB-CD1 4.26Å; C69-L108 HydrophobicContact CB-CD2 3.77Å; C69-L108 HydrophobicContact CB-CG 4.42Å; C69-V156 HydrophobicContact CB-CG1 3.94Å
70L98.9Very high98.6Very high0 Ų019.8 Ų19.80%09%0.088CC..Hα-helixtrans-57.9-44.7174.3-75.8166.1000110.7N66 Q74 V107 L108 L111 W454 Y467N66-L70 WeakPolarHBondContact O-CB 3.43Å; N66-L70 VanDerWaalsContact O-CG 3.26Å; N66-L70 WeakPolarHBondContact O-CG 3.35Å; N66-L70 PolarHBondContact O-N 3.21Å; L70-Q74 WeakPolarHBondContact O-CB 3.23Å; L70-Q74 PolarHBondContact O-N 3.07Å; L70-V107 HydrophobicContact CD1-CG1 4.43Å; L70-L108 HydrophobicContact CB-CD2 4.4Å; L70-L108 HydrophobicContact CD2-CD2 3.83Å; L70-L108 HydrophobicContact CG-CD2 3.91Å; L70-L111 HydrophobicContact CD2-CD1 3.88Å; L70-L111 HydrophobicContact CD2-CD2 3.98Å; L70-L111 HydrophobicContact CD2-CG 3.69Å; L70-W454 HydrophobicContact CB-CB 3.87Å; L70-W454 HydrophobicContact CB-CD2 3.99Å; L70-W454 HydrophobicContact CB-CG 3.59Å; L70-W454 HydrophobicContact CD1-CB 4.45Å; L70-W454 HydrophobicContact CD1-CD2 4.14Å; L70-W454 HydrophobicContact CD1-CE3 4.06Å; L70-W454 HydrophobicContact CD1-CG 4.35Å; L70-Y467 HydrophobicContact CD1-CD1 4.45Å; L70-Y467 HydrophobicContact CD1-CD2 4.22Å; L70-Y467 HydrophobicContact CD1-CG 4.03Å
71T98.9Very high98.6Very high5 Ų524.9 Ų24.93%0.03112%0.123CC..Hα-helixtrans-60.8-53.5179.7-57.70000112.2Y25 S67 L68 C69 V73 R75 W454Y25-T71 HydrophobicContact CD1-CG2 4.45Å; Y25-T71 HydrophobicContact CD2-CG2 3.39Å; Y25-T71 HydrophobicContact CE2-CG2 3.61Å; Y25-T71 HydrophobicContact CG-CG2 3.85Å; S67-T71 WeakPolarHBondContact O-CB 3.32Å; S67-T71 PolarHBondContact O-N 2.87Å; S67-T71 PolarHBondContact O-OG1 3.02Å; L68-T71 PolarHBondContact O-N 3.4Å; C69-T71 VanDerWaalsContact C-N 3.29Å; C69-T71 PolarHBondContact O-N 3.45Å; T71-V73 VanDerWaalsContact C-N 3.34Å; T71-V73 PolarHBondContact O-N 3.1Å; T71-R75 VanDerWaalsContact O-CB 3.27Å; T71-R75 WeakPolarHBondContact O-CB 3.43Å; T71-R75 PolarHBondContact O-N 2.79Å; T71-W454 WeakPolarHBondContact OG1-CB 3.38Å; T71-W454 PolarHBondContact OG1-N 3.06Å
72V98.9Very high98.6Very high0 Ų026 Ų260%013%0.129CC..Hα-helixtrans-69.3-34-17572.20000112.1E23 L68 C69 L76 V156 A176 A178E23-V72 HydrophobicContact CB-CG2 3.99Å; E23-V72 HydrophobicContact CG-CG2 4Å; E23-V72 WeakPolarHBondContact O-CG2 3.22Å; L68-V72 PolarHBondContact O-N 3.4Å; L68-V72 VanDerWaalsContact O-N 3.1Å; C69-V72 WeakPolarHBondContact O-CG1 3.31Å; C69-V72 PolarHBondContact O-N 2.95Å; V72-L76 WeakPolarHBondContact O-CB 3.34Å; V72-L76 PolarHBondContact O-N 2.65Å; V72-V156 HydrophobicContact CG1-CG1 4.01Å; V72-A176 HydrophobicContact CB-CB 4.19Å; V72-A176 HydrophobicContact CG1-CB 3.69Å; V72-A178 HydrophobicContact CB-CB 4.46Å; V72-A178 HydrophobicContact CG1-CB 4.01Å; V72-A178 HydrophobicContact CG2-CB 3.9Å
73V98.9Very high98.7Very high0 Ų027.3 Ų27.30%014%0.144CC..Hα-helixtrans-66.6-53.9176.1168.10000110.7C69 T71 R75 L76 M77 L108 L111 L154 V156C69-V73 WeakPolarHBondContact O-CB 3.3Å; C69-V73 VanDerWaalsContact O-CG2 3.28Å; C69-V73 WeakPolarHBondContact O-CG2 3.4Å; C69-V73 PolarHBondContact O-N 3.14Å; T71-V73 VanDerWaalsContact C-N 3.34Å; T71-V73 PolarHBondContact O-N 3.1Å; V73-R75 VanDerWaalsContact C-N 3.29Å; V73-R75 PolarHBondContact O-N 2.82Å; V73-L76 WeakPolarHBondContact O-CB 3.43Å; V73-L76 PolarHBondContact O-N 3.46Å; V73-L76 VanDerWaalsContact O-N 3.13Å; V73-M77 HydrophobicContact CG1-CG 4.32Å; V73-M77 VanDerWaalsContact O-CG 3.31Å; V73-M77 WeakPolarHBondContact O-CG 3.44Å; V73-M77 PolarHBondContact O-N 3.38Å; V73-L108 HydrophobicContact CG2-CD1 4.27Å; V73-L111 HydrophobicContact CB-CD1 3.97Å; V73-L111 HydrophobicContact CG1-CD1 3.57Å; V73-L154 HydrophobicContact CG1-CD2 3.83Å; V73-L154 HydrophobicContact CG2-CD2 4.22Å; V73-V156 HydrophobicContact CG2-CG1 4.47Å; V73-V156 HydrophobicContact CG2-CG2 3.41Å; V73-V156 VanDerWaalsContact CG2-CG2 3.41Å
74Q98.9Very high98.7Very high28 Ų2829.2 Ų29.213%0.13115%0.151CC..Hα-helixtrans-62.3-39.9-177.8-176.116411.800111.6L70 L76 M77 E78 L111 W454 R469L70-Q74 WeakPolarHBondContact O-CB 3.23Å; L70-Q74 PolarHBondContact O-N 3.07Å; Q74-L76 VanDerWaalsContact C-N 3.34Å; Q74-L76 PolarHBondContact O-N 2.91Å; Q74-M77 PolarHBondContact O-N 3.26Å; Q74-E78 HydrophobicContact CG-CG 4.23Å; Q74-E78 WeakPolarHBondContact CG-OE1 3.46Å; Q74-E78 PolarHBondContact NE2-OE1 2.72Å; Q74-E78 WeakPolarHBondContact O-CB 3.46Å; Q74-E78 WeakPolarHBondContact O-CG 3.32Å; Q74-E78 PolarHBondContact O-N 3.48Å; Q74-L111 HydrophobicContact CB-CD1 4.3Å; Q74-L111 HydrophobicContact CB-CD2 4.42Å; Q74-W454 VanDerWaalsContact OE1-CE2 3.29Å; Q74-R469 VanDerWaalsContact CD-CZ 3.44Å; Q74-R469 VanDerWaalsContact CD-NH1 3.32Å
75R98.7Very high98.7Very high76 Ų7633 Ų3329%0.28717%0.171SC..Hα-helixtrans-60.6-41.9175-174.2179.5170.3106.33.3112E23 T71 V73 R79E23-R75 HydrophobicContact CG-CB 4.01Å; E23-R75 HydrophobicContact CG-CG 3.8Å; E23-R75 WeakPolarHBondContact OE1-CD 3.46Å; E23-R75 IonicContact OE1-CZ 2.75Å; E23-R75 IonicContact OE1-NE 3.39Å; E23-R75 PolarHBondContact OE1-NE 3.15Å; E23-R75 IonicContact OE1-NH2 3.78Å; T71-R75 VanDerWaalsContact O-CB 3.27Å; T71-R75 WeakPolarHBondContact O-CB 3.43Å; T71-R75 PolarHBondContact O-N 2.79Å; V73-R75 VanDerWaalsContact C-N 3.29Å; V73-R75 PolarHBondContact O-N 2.82Å; R75-R79 WeakPolarHBondContact O-CB 3.49Å; R75-R79 PolarHBondContact O-N 2.76Å
76L98.8Very high98.6Very high0 Ų034.5 Ų34.50%018%0.181CC..Hα-helixtrans-61.3-48175.7-173.8148.4000111E23 V72 V73 Q74 N80 L82 L154 A178 L180E23-L76 HydrophobicContact CB-CB 3.63Å; E23-L76 HydrophobicContact CB-CD1 3.93Å; E23-L76 HydrophobicContact CB-CG 4.1Å; E23-L76 HydrophobicContact CG-CB 4.24Å; V72-L76 WeakPolarHBondContact O-CB 3.34Å; V72-L76 PolarHBondContact O-N 2.65Å; V73-L76 WeakPolarHBondContact O-CB 3.43Å; V73-L76 PolarHBondContact O-N 3.46Å; V73-L76 VanDerWaalsContact O-N 3.13Å; Q74-L76 VanDerWaalsContact C-N 3.34Å; Q74-L76 PolarHBondContact O-N 2.91Å; L76-N80 WeakPolarHBondContact O-CB 3.49Å; L76-N80 PolarHBondContact O-N 3.09Å; L76-N80 VanDerWaalsContact O-N 3.15Å; L76-N80 PolarHBondContact O-ND2 3.16Å; L76-L82 HydrophobicContact CD2-CD1 3.91Å; L76-L154 HydrophobicContact CD1-CD1 4.25Å; L76-L154 HydrophobicContact CD2-CD1 4.21Å; L76-A178 HydrophobicContact CB-CB 4.31Å; L76-A178 HydrophobicContact CD1-CB 3.66Å; L76-A178 WeakPolarHBondContact CD1-O 3.5Å; L76-L180 HydrophobicContact CD2-CB 4.4Å
77M98.8Very high98.6Very high3 Ų334 Ų342%0.01518%0.179CC..Hα-helixtrans-62.5-48.4-177.5-63.7-61-72.800111.4V73 Q74 N80 S81 L82 S83 Y84 I87 L154V73-M77 HydrophobicContact CG1-CG 4.32Å; V73-M77 VanDerWaalsContact O-CG 3.31Å; V73-M77 WeakPolarHBondContact O-CG 3.44Å; V73-M77 PolarHBondContact O-N 3.38Å; Q74-M77 PolarHBondContact O-N 3.26Å; M77-N80 PolarHBondContact O-N 2.9Å; M77-S81 PolarHBondContact O-N 2.96Å; M77-L82 HydrophobicContact CE-CB 3.62Å; M77-L82 PolarHBondContact O-N 3.4Å; M77-L82 HydrophobicContact SD-CB 3.96Å; M77-L82 HydrophobicContact SD-CD1 4Å; M77-S83 WeakPolarHBondContact CE-O 3.36Å; M77-Y84 HydrophobicContact CB-CE1 4.48Å; M77-Y84 HydrophobicContact CE-CD1 3.88Å; M77-Y84 HydrophobicContact CE-CE1 4.19Å; M77-Y84 HydrophobicContact CE-CG 4.08Å; M77-Y84 HydrophobicContact CG-CD1 4.49Å; M77-Y84 HydrophobicContact CG-CE1 3.89Å; M77-I87 HydrophobicContact CE-CD1 4.32Å; M77-I87 HydrophobicContact CE-CG1 4.03Å; M77-I87 HydrophobicContact SD-CD1 4.26Å; M77-I87 HydrophobicContact SD-CG1 4.38Å; M77-L154 HydrophobicContact SD-CD2 4.49Å
78E98.4Very high98.6Very high82 Ų8234.1 Ų34.138%0.38318%0.18SC..Hα-helixtrans-61.9-48.8179.6-73.4171.1172.500111.7Q74 N80 S81 R469Q74-E78 HydrophobicContact CG-CG 4.23Å; Q74-E78 WeakPolarHBondContact CG-OE1 3.46Å; Q74-E78 PolarHBondContact NE2-OE1 2.72Å; Q74-E78 WeakPolarHBondContact O-CB 3.46Å; Q74-E78 WeakPolarHBondContact O-CG 3.32Å; Q74-E78 PolarHBondContact O-N 3.48Å; E78-N80 VanDerWaalsContact C-N 3.26Å; E78-N80 PolarHBondContact O-N 3.18Å; E78-S81 PolarHBondContact O-N 2.9Å; E78-R469 IonicContact OE1-CZ 2.97Å; E78-R469 IonicContact OE1-NH1 3.79Å; E78-R469 PolarHBondContact OE1-NH1 2.57Å; E78-R469 IonicContact OE1-NH2 2.66Å; E78-R469 PolarHBondContact OE1-NH2 3.23Å; E78-R469 IonicContact OE2-CZ 3.93Å; E78-R469 IonicContact OE2-NH1 3.42Å; E78-R469 IonicContact OE2-NH2 3.48Å; E78-R469 PolarHBondContact OE2-NH2 2.58Å
79R97.6Very high98.6Very high88 Ų8835.6 Ų35.633%0.33219%0.185SC..Hα-helixtrans-66.6-30.2-175.4-164.9168.579118-9.8113.8M22 E23 R75 S405M22-R79 PolarHBondContact O-NH2 3.37Å; E23-R79 WeakPolarHBondContact OE2-CD 3.26Å; E23-R79 IonicContact OE2-CZ 3.65Å; E23-R79 IonicContact OE2-NE 3.74Å; E23-R79 PolarHBondContact OE2-NE 2.69Å; E23-R79 IonicContact OE2-NH2 3.44Å; E23-R79 PolarHBondContact OE2-NH2 3.35Å; E23-R79 VanDerWaalsContact OE2-NH2 3.12Å; R75-R79 WeakPolarHBondContact O-CB 3.49Å; R75-R79 PolarHBondContact O-N 2.76Å; R79-S405 PolarHBondContact NH1-O 3.24Å; R79-S405 PolarHBondContact NH2-O 2.7Å; R79-S405 PolarHBondContact NH2-OG 3.39Å
80N97.9Very high98.6Very high60 Ų6035.6 Ų35.632%0.32119%0.185SC..THydrogen-bonded Turntrans-95.94176.5-66.1-86.9000112.4L76 M77 E78 L82L76-N80 WeakPolarHBondContact O-CB 3.49Å; L76-N80 PolarHBondContact O-N 3.09Å; L76-N80 VanDerWaalsContact O-N 3.15Å; L76-N80 PolarHBondContact O-ND2 3.16Å; M77-N80 PolarHBondContact O-N 2.9Å; E78-N80 VanDerWaalsContact C-N 3.26Å; E78-N80 PolarHBondContact O-N 3.18Å; N80-L82 HydrophobicContact CB-CD1 3.81Å; N80-L82 HydrophobicContact CB-CD2 4.39Å; N80-L82 HydrophobicContact CB-CG 3.7Å; N80-L82 PolarHBondContact O-N 3.08Å
81S98.2Very high98.6Very high112 Ų11235.9 Ų35.978%0.78319%0.187SC*.THydrogen-bonded Turntrans50.343.9-178.3-58.90000112.8M77 E78M77-S81 PolarHBondContact O-N 2.96Å; E78-S81 PolarHBondContact O-N 2.9Å
82L98.3Very high98.6Very high38 Ų3835.6 Ų35.620%0.19919%0.185CC..  trans-89.4137.1-176.8-63.1172.6000111.1L76 M77 N80 L180L76-L82 HydrophobicContact CD2-CD1 3.91Å; M77-L82 HydrophobicContact CE-CB 3.62Å; M77-L82 PolarHBondContact O-N 3.4Å; M77-L82 HydrophobicContact SD-CB 3.96Å; M77-L82 HydrophobicContact SD-CD1 4Å; N80-L82 HydrophobicContact CB-CD1 3.81Å; N80-L82 HydrophobicContact CB-CD2 4.39Å; N80-L82 HydrophobicContact CB-CG 3.7Å; N80-L82 PolarHBondContact O-N 3.08Å; L82-L180 HydrophobicContact CD1-CD1 4.16Å; L82-L180 HydrophobicContact CD1-CD2 3.73Å
83S98.5Very high98.6Very high62 Ų6235.6 Ų35.643%0.43419%0.185SC..  trans-73.4140.5164.9177.10000109.9M77 D85 C86M77-S83 WeakPolarHBondContact CE-O 3.36Å; S83-D85 PolarHBondContact O-N 2.9Å; S83-D85 WeakPolarHBondContact OG-CB 3.29Å; S83-D85 PolarHBondContact OG-N 3.44Å; S83-D85 VanDerWaalsContact OG-N 3.13Å; S83-D85 PolarHBondContact OG-OD2 3.35Å; S83-C86 PolarHBondContact O-N 2.9Å; S83-C86 VanDerWaalsContact O-N 3.11Å; S83-C86 PolarHBondContact O-SG 3.37Å
84Y98.7Very high98.6Very high44 Ų4435.7 Ų35.717%0.17319%0.185CC..G310 helixtrans-59.8-23.4170.8-72.8-83.8000112.6M77 C86 I87 L111 F112 N117M77-Y84 HydrophobicContact CB-CE1 4.48Å; M77-Y84 HydrophobicContact CE-CD1 3.88Å; M77-Y84 HydrophobicContact CE-CE1 4.19Å; M77-Y84 HydrophobicContact CE-CG 4.08Å; M77-Y84 HydrophobicContact CG-CD1 4.49Å; M77-Y84 HydrophobicContact CG-CE1 3.89Å; Y84-C86 PolarHBondContact O-N 3.47Å; Y84-I87 PolarHBondContact O-N 2.98Å; Y84-L111 HydrophobicContact CD1-CB 4.4Å; Y84-L111 WeakPolarHBondContact CD1-O 3.2Å; Y84-L111 HydrophobicContact CE1-CB 3.61Å; Y84-L111 WeakPolarHBondContact CE1-O 3.25Å; Y84-F112 AromaticContact CD1-CD1 3.75Å; Y84-F112 HydrophobicContact CD1-CD1 3.75Å; Y84-F112 HydrophobicContact CD1-CD2 4.04Å; Y84-F112 AromaticContact CD1-CE1 3.65Å; Y84-F112 HydrophobicContact CD1-CE1 3.65Å; Y84-F112 AromaticContact CD1-CE2 3.96Å; Y84-F112 HydrophobicContact CD1-CE2 3.96Å; Y84-F112 AromaticContact CD1-CG 3.93Å; Y84-F112 HydrophobicContact CD1-CG 3.93Å; Y84-F112 AromaticContact CD1-CZ 3.77Å; Y84-F112 HydrophobicContact CD1-CZ 3.77Å; Y84-F112 HydrophobicContact CE1-CD2 4.49Å; Y84-F112 HydrophobicContact CE1-CE2 4.29Å; Y84-F112 HydrophobicContact CE1-CZ 4.38Å; Y84-F112 HydrophobicContact CG-CD1 4.22Å; Y84-F112 HydrophobicContact CG-CE1 4.36Å; Y84-F112 WeakPolarHBondContact O-CE1 3.31Å; Y84-N117 PolarHBondContact O-ND2 3.42Å
85D98.6Very high98.6Very high84 Ų8434.8 Ų34.845%0.44918%0.181SC..G310 helixtrans-66.7-21.8175.9-60.3-38.2000113.8S83 I87 R151S83-D85 PolarHBondContact O-N 2.9Å; S83-D85 WeakPolarHBondContact OG-CB 3.29Å; S83-D85 PolarHBondContact OG-N 3.44Å; S83-D85 VanDerWaalsContact OG-N 3.13Å; S83-D85 PolarHBondContact OG-OD2 3.35Å; D85-I87 PolarHBondContact O-N 3.31Å; D85-R151 WeakPolarHBondContact O-CD 3.29Å
86C98.7Very high98.6Very high32 Ų3231.4 Ų31.422%0.21617%0.169CC..G310 helixtrans-82.14.5-177.578.60000113.7S83 Y84 R151 Y152S83-C86 PolarHBondContact O-N 2.9Å; S83-C86 VanDerWaalsContact O-N 3.11Å; S83-C86 PolarHBondContact O-SG 3.37Å; Y84-C86 PolarHBondContact O-N 3.47Å; C86-R151 WeakPolarHBondContact O-CB 3.49Å; C86-Y152 HydrophobicContact CB-CD2 4.22Å; C86-Y152 PolarHBondContact O-N 2.68Å
87I98.9Very high98.6Very high0 Ų035.5 Ų35.50%019%0.19CC..EExtended strand (participates in β ladder)trans-104.8121.8178.3-49.3-56.8000109.2M77 Y84 D85 R89 F112 N117 V120 R151 Y152 L154 L180M77-I87 HydrophobicContact CE-CD1 4.32Å; M77-I87 HydrophobicContact CE-CG1 4.03Å; M77-I87 HydrophobicContact SD-CD1 4.26Å; M77-I87 HydrophobicContact SD-CG1 4.38Å; Y84-I87 PolarHBondContact O-N 2.98Å; D85-I87 PolarHBondContact O-N 3.31Å; I87-R89 VanDerWaalsContact CG2-O 3.26Å; I87-R89 WeakPolarHBondContact CG2-O 3.26Å; I87-F112 HydrophobicContact CB-CE1 3.8Å; I87-F112 HydrophobicContact CB-CZ 4.26Å; I87-F112 HydrophobicContact CG1-CE1 3.92Å; I87-F112 HydrophobicContact CG1-CZ 4.21Å; I87-F112 HydrophobicContact CG2-CE1 4.22Å; I87-F112 HydrophobicContact CG2-CZ 4.27Å; I87-N117 PolarHBondContact O-ND2 2.73Å; I87-V120 HydrophobicContact CG2-CG1 4.27Å; I87-R151 PolarHBondContact O-NH1 3.38Å; I87-Y152 WeakPolarHBondContact CA-O 3.49Å; I87-L154 HydrophobicContact CD1-CB 4.45Å; I87-L154 HydrophobicContact CG2-CB 3.96Å; I87-L180 HydrophobicContact CD1-CD1 3.7Å
88G98.8Very high98.5Very high2 Ų237.6 Ų37.62%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-106.9-14.8176.700000113.9V120 E121 R151 Y152G88-V120 WeakPolarHBondContact O-CA 3.42Å; G88-E121 PolarHBondContact O-N 3.23Å; G88-R151 VanDerWaalsContact CA-CZ 3.45Å; G88-Y152 PolarHBondContact N-O 3.25Å
89R98.9Very high98.5Very high31 Ų3137.8 Ų37.812%0.11720%0.204CC..EExtended strand (participates in β ladder)trans-140.7137.6173.4-175.5179.3-171.388.11.9110.8I87 E91 E121 W142 Y152 A153 L154I87-R89 VanDerWaalsContact CG2-O 3.26Å; I87-R89 WeakPolarHBondContact CG2-O 3.26Å; R89-E91 IonicContact CZ-OE2 3.55Å; R89-E91 IonicContact NE-OE2 2.79Å; R89-E91 IonicContact NH2-OE2 3.07Å; R89-E91 PolarHBondContact NH2-OE2 3.09Å; R89-E121 CarbonylContact C-O 3.51Å; R89-E121 WeakPolarHBondContact CA-O 3.35Å; R89-E121 HydrophobicContact CB-CB 4.39Å; R89-E121 HydrophobicContact CG-CB 4.2Å; R89-E121 IonicContact NH1-OE2 2.67Å; R89-E121 PolarHBondContact NH1-OE2 3.4Å; R89-W142 HydrophobicContact CB-CD2 3.94Å; R89-W142 HydrophobicContact CB-CE3 3.92Å; R89-W142 HydrophobicContact CB-CH2 4.21Å; R89-W142 HydrophobicContact CB-CZ2 4.24Å; R89-W142 HydrophobicContact CB-CZ3 4.05Å; R89-Y152 PolarHBondContact N-O 3.4Å; R89-A153 HydrophobicContact CB-CB 3.93Å; R89-A153 HydrophobicContact CG-CB 4.47Å; R89-A153 CarbonylContact O-C 3.21Å; R89-A153 WeakPolarHBondContact O-CA 3.34Å; R89-L154 PolarHBondContact O-N 3.25Å
90L98.9Very high98.5Very high0 Ų042.2 Ų42.20%023%0.226CC..EExtended strand (participates in β ladder)trans-135.6121.4173.2172.759.3000109.1K105 L108 F112 V120 E121 G122 L154 V156L90-K105 HydrophobicContact CG-CG 4.22Å; L90-K105 WeakPolarHBondContact O-CG 3.32Å; L90-L108 HydrophobicContact CD1-CD1 4.23Å; L90-L108 HydrophobicContact CD2-CB 3.82Å; L90-L108 HydrophobicContact CD2-CD1 4.11Å; L90-L108 HydrophobicContact CG-CD1 4.45Å; L90-F112 HydrophobicContact CD2-CE2 3.76Å; L90-F112 HydrophobicContact CD2-CZ 4.21Å; L90-V120 HydrophobicContact CB-CG1 3.72Å; L90-E121 PolarHBondContact N-O 2.93Å; L90-G122 CarbonylContact O-C 3.53Å; L90-G122 VanDerWaalsContact O-CA 3.32Å; L90-G122 WeakPolarHBondContact O-CA 3.35Å; L90-L154 VanDerWaalsContact CA-O 3.29Å; L90-L154 WeakPolarHBondContact CA-O 3.35Å; L90-L154 HydrophobicContact CD1-CB 3.93Å; L90-L154 HydrophobicContact CD1-CD2 3.91Å; L90-L154 HydrophobicContact CD1-CG 3.8Å; L90-L154 WeakPolarHBondContact CD1-O 3.44Å; L90-V156 HydrophobicContact CD1-CG2 3.88Å
91E98.9Very high98.5Very high6 Ų644.9 Ų44.93%0.02825%0.25CC..EExtended strand (participates in β ladder)trans-136.3137.6-178.7-169.7159.4124.300112R89 I123 T125 A135 N138 L154 V156R89-E91 IonicContact CZ-OE2 3.55Å; R89-E91 IonicContact NE-OE2 2.79Å; R89-E91 IonicContact NH2-OE2 3.07Å; R89-E91 PolarHBondContact NH2-OE2 3.09Å; E91-I123 WeakPolarHBondContact CA-O 3.36Å; E91-I123 WeakPolarHBondContact CG-O 3.36Å; E91-T125 HydrophobicContact CG-CG2 4.18Å; E91-A135 HydrophobicContact CB-CB 4.22Å; E91-A135 HydrophobicContact CG-CB 3.81Å; E91-A135 WeakPolarHBondContact OE1-CA 3.08Å; E91-N138 WeakPolarHBondContact OE1-CB 3.44Å; E91-N138 PolarHBondContact OE1-ND2 3.25Å; E91-L154 PolarHBondContact N-O 3.34Å; E91-V156 PolarHBondContact O-N 3.16Å
92V98.9Very high98.5Very high0 Ų044.8 Ų44.80%024%0.235CC..EExtended strand (participates in β ladder)trans-110126.5-178.2-172.20000110.8T94 V104 K105 L108 I123 D124 T125 V156V92-T94 HydrophobicContact CG1-CG2 4.34Å; V92-V104 HydrophobicContact CB-CB 4.38Å; V92-V104 HydrophobicContact CG1-CB 4.11Å; V92-V104 HydrophobicContact CG1-CG1 4.08Å; V92-V104 HydrophobicContact CG2-CB 4.24Å; V92-V104 HydrophobicContact CG2-CG1 4.13Å; V92-K105 HydrophobicContact CG2-CB 4.15Å; V92-L108 HydrophobicContact CG2-CD1 3.63Å; V92-I123 PolarHBondContact N-O 3.4Å; V92-D124 WeakPolarHBondContact CB-OD1 3.43Å; V92-D124 CarbonylContact O-C 3.48Å; V92-D124 WeakPolarHBondContact O-CA 3.45Å; V92-T125 PolarHBondContact O-N 3.09Å; V92-V156 CarbonylContact C-O 3.54Å; V92-V156 VanDerWaalsContact CA-O 3.25Å; V92-V156 WeakPolarHBondContact CA-O 3.23Å; V92-V156 HydrophobicContact CG1-CB 4.48Å; V92-V156 HydrophobicContact CG2-CB 4.26Å
93G98.9Very high98.6Very high0 Ų043.8 Ų43.80%023%0.231CC..EExtended strand (participates in β ladder)trans-97.3120.8164.300000110.4T125 G131 V156 A157 G158 T347G93-T125 WeakPolarHBondContact CA-O 3.35Å; G93-G131 VanDerWaalsContact CA-C 3.45Å; G93-V156 PolarHBondContact N-O 3.19Å; G93-A157 WeakPolarHBondContact O-CA 3.44Å; G93-G158 PolarHBondContact O-N 3.01Å; G93-T347 PolarHBondContact O-OG1 2.99Å; G93-T347 VanDerWaalsContact O-OG1 3.1Å
94T98.9Very high98.6Very high1 Ų141.2 Ų41.21%0.00621%0.213CC..  trans-155.2154176.5-172.50000111.1I65 V92 T96 V104 T126 G158 D159I65-T94 WeakPolarHBondContact CD1-OG1 3.38Å; I65-T94 HydrophobicContact CG1-CG2 4.45Å; V92-T94 HydrophobicContact CG1-CG2 4.34Å; T94-T96 PolarHBondContact OG1-N 2.91Å; T94-T96 VanDerWaalsContact OG1-N 3.08Å; T94-V104 HydrophobicContact CG2-CG2 4.26Å; T94-T126 WeakPolarHBondContact O-CB 3.36Å; T94-T126 VanDerWaalsContact O-CG2 3.25Å; T94-T126 WeakPolarHBondContact O-CG2 3.45Å; T94-T126 PolarHBondContact O-OG1 2.78Å; T94-G158 WeakPolarHBondContact CB-O 3.38Å; T94-G158 PolarHBondContact OG1-O 3.31Å; T94-D159 PolarHBondContact OG1-OD1 3.44Å
95E98.5Very high98.6Very high9 Ų940.1 Ų40.14%0.04221%0.209CC..SBendtrans-117.811165.562.8159.693.900112.7T126 A128 C129 D159 K206 Y346E95-T126 HydrophobicContact CB-CG2 4.46Å; E95-A128 WeakPolarHBondContact OE1-CA 3.43Å; E95-C129 PolarHBondContact OE1-N 2.87Å; E95-C129 PolarHBondContact OE1-SG 2.99Å; E95-D159 VanDerWaalsContact CG-OD1 3.31Å; E95-D159 WeakPolarHBondContact CG-OD1 3.44Å; E95-D159 PolarHBondContact N-OD1 3.31Å; E95-K206 PolarHBondContact O-NZ 3.11Å; E95-K206 WeakPolarHBondContact OE2-CE 3.33Å; E95-K206 IonicContact OE2-NZ 3.96Å; E95-K206 PolarHBondContact OE2-NZ 3.33Å; E95-Y346 HydrophobicContact CG-CD2 3.53Å; E95-Y346 HydrophobicContact CG-CE2 4.18Å; E95-Y346 HydrophobicContact CG-CG 4.04Å; E95-Y346 WeakPolarHBondContact OE2-CD2 3.21Å; E95-Y346 VanDerWaalsContact OE2-CE2 3.27Å; E95-Y346 WeakPolarHBondContact OE2-CE2 3.43Å
96T98.4Very high98.6Very high5 Ų538.9 Ų38.93%0.03120%0.204CC..  trans-97.387.9176.8-560000109I65 T94 D159 I160I65-T96 HydrophobicContact CB-CG2 3.95Å; I65-T96 HydrophobicContact CG2-CG2 4.38Å; T94-T96 PolarHBondContact OG1-N 2.91Å; T94-T96 VanDerWaalsContact OG1-N 3.08Å; T96-D159 WeakPolarHBondContact CB-OD1 3.37Å; T96-D159 PolarHBondContact N-OD1 2.92Å; T96-D159 VanDerWaalsContact OG1-CA 3.32Å; T96-D159 WeakPolarHBondContact OG1-CA 3.48Å; T96-D159 PolarHBondContact OG1-OD1 3.31Å; T96-I160 HydrophobicContact CG2-CB 4.26Å; T96-I160 PolarHBondContact OG1-N 3.49Å
97I97.9Very high98.6Very high87 Ų8737.8 Ų37.845%0.44620%0.197SC..  trans-93.6118.4-171.3-50.9-55.3000110.5D99I97-D99 VanDerWaalsContact CG2-O 3.29Å; I97-D99 WeakPolarHBondContact CG2-O 3.23Å
98I97.3Very high98.6Very high47 Ų4737.8 Ų37.824%0.24120%0.197CC..SBendtrans-114.4-8.4175.158.7169.6000113.5I65 N66I65-I98 HydrophobicContact CG2-CD1 3.57Å; I65-I98 HydrophobicContact CG2-CG1 3.72Å; I65-I98 HydrophobicContact CG2-CG2 4.25Å; N66-I98 WeakPolarHBondContact ND2-CD1 3.39Å
99D98.2Very high98.6Very high85 Ų8539.1 Ų39.146%0.45520%0.203SC..  trans-145.5137169.4-169.6-58.1000108.5I97 S101 K102I97-D99 VanDerWaalsContact CG2-O 3.29Å; I97-D99 WeakPolarHBondContact CG2-O 3.23Å; D99-S101 VanDerWaalsContact C-N 3.35Å; D99-S101 PolarHBondContact OD1-N 3.27Å; D99-K102 HydrophobicContact CB-CB 4.14Å; D99-K102 PolarHBondContact OD1-N 2.9Å
100K97.6Very high98.6Very high181 Ų18141.5 Ų41.579%0.78722%0.215SC*.SBendtrans-84.4-9.3-174-66.6178.8-67.3-170.40113.8
101S98.2Very high98.6Very high117 Ų11742.3 Ų42.382%0.81822%0.22SC*.SBendtrans-129.3-40.4-178.1-175.40000112.4D99 S103D99-S101 VanDerWaalsContact C-N 3.35Å; D99-S101 PolarHBondContact OD1-N 3.27Å; S101-S103 PolarHBondContact O-N 3.05Å
102K98.8Very high98.6Very high110 Ų11042.1 Ų42.148%0.47822%0.219SC..SBendtrans-84.8108.6-177.8-177.3176.5165.4590110.4D99 T106D99-K102 HydrophobicContact CB-CB 4.14Å; D99-K102 PolarHBondContact OD1-N 2.9Å; K102-T106 WeakPolarHBondContact CG-OG1 3.42Å; K102-T106 PolarHBondContact NZ-OG1 2.91Å
103S98.9Very high98.5Very high17 Ų1748.1 Ų48.112%0.11925%0.247CC..  trans-60.1146.1174.661.40000113.9S101 K105 T106 D124S101-S103 PolarHBondContact O-N 3.05Å; S103-K105 PolarHBondContact O-N 2.77Å; S103-T106 PolarHBondContact O-N 3.11Å; S103-T106 VanDerWaalsContact O-N 3.12Å; S103-T106 PolarHBondContact O-OG1 3.44Å; S103-T106 VanDerWaalsContact OG-CG2 3.25Å; S103-T106 WeakPolarHBondContact OG-CG2 3.32Å; S103-T106 PolarHBondContact OG-N 2.94Å; S103-D124 VanDerWaalsContact CA-OD2 3.25Å; S103-D124 WeakPolarHBondContact CA-OD2 3.49Å; S103-D124 VanDerWaalsContact CB-CG 3.4Å; S103-D124 WeakPolarHBondContact CB-OD1 3.23Å
104V98.9Very high98.5Very high7 Ų756.2 Ų56.24%0.04229%0.29CS..Hα-helixtrans-54.5-39.7166.1178.80000110I65 C69 V92 T94 T106 V107 L108 D124I65-V104 HydrophobicContact CG1-CG2 3.95Å; I65-V104 HydrophobicContact CG2-CG2 4.2Å; C69-V104 HydrophobicContact CB-CG1 3.95Å; V92-V104 HydrophobicContact CB-CB 4.38Å; V92-V104 HydrophobicContact CG1-CB 4.11Å; V92-V104 HydrophobicContact CG1-CG1 4.08Å; V92-V104 HydrophobicContact CG2-CB 4.24Å; V92-V104 HydrophobicContact CG2-CG1 4.13Å; T94-V104 HydrophobicContact CG2-CG2 4.26Å; V104-T106 PolarHBondContact O-N 3.47Å; V104-V107 WeakPolarHBondContact O-CA 3.44Å; V104-V107 WeakPolarHBondContact O-CB 3.32Å; V104-V107 PolarHBondContact O-N 3.31Å; V104-L108 HydrophobicContact CG1-CG 4.41Å; V104-L108 PolarHBondContact O-N 3.24Å; V104-D124 PolarHBondContact N-OD1 2.88Å; V104-D124 PolarHBondContact N-OD2 3.02Å
105K98.9Very high98.4Very high22 Ų2258.3 Ų58.310%0.09631%0.305CS..Hα-helixtrans-49.4-43.9174.8-173.3-88.5-177.6170.80112.8L90 V92 S103 V107 L108 M109 V120 G122 D124L90-K105 HydrophobicContact CG-CG 4.22Å; L90-K105 WeakPolarHBondContact O-CG 3.32Å; V92-K105 HydrophobicContact CG2-CB 4.15Å; S103-K105 PolarHBondContact O-N 2.77Å; K105-V107 VanDerWaalsContact C-N 3.26Å; K105-V107 PolarHBondContact O-N 3.44Å; K105-L108 WeakPolarHBondContact O-CB 3.4Å; K105-L108 PolarHBondContact O-N 2.88Å; K105-M109 HydrophobicContact CD-CG 4.44Å; K105-M109 HydrophobicContact CD-SD 4.37Å; K105-M109 PolarHBondContact O-N 2.76Å; K105-V120 PolarHBondContact NZ-O 3.24Å; K105-G122 VanDerWaalsContact CD-O 3.22Å; K105-G122 WeakPolarHBondContact CD-O 3.36Å; K105-G122 WeakPolarHBondContact CE-O 3.48Å; K105-G122 PolarHBondContact NZ-O 3.02Å; K105-D124 WeakPolarHBondContact CB-OD1 3.4Å; K105-D124 PolarHBondContact N-OD1 2.79Å
106T98.9Very high98.4Very high57 Ų5760.2 Ų60.235%0.3533%0.327SS..Hα-helixtrans-70.2-20.9178.761.80000113.8K102 S103 V104K102-T106 WeakPolarHBondContact CG-OG1 3.42Å; K102-T106 PolarHBondContact NZ-OG1 2.91Å; S103-T106 PolarHBondContact O-N 3.11Å; S103-T106 VanDerWaalsContact O-N 3.12Å; S103-T106 PolarHBondContact O-OG1 3.44Å; S103-T106 VanDerWaalsContact OG-CG2 3.25Å; S103-T106 WeakPolarHBondContact OG-CG2 3.32Å; S103-T106 PolarHBondContact OG-N 2.94Å; V104-T106 PolarHBondContact O-N 3.47Å
107V98.9Very high98.5Very high10 Ų1060.6 Ų60.66%0.06133%0.329CS..Hα-helixtrans-76.6-39171.4-176.50000109.9N66 L70 V104 K105 M109 Q110 Y467N66-V107 HydrophobicContact CB-CG1 3.92Å; L70-V107 HydrophobicContact CD1-CG1 4.43Å; V104-V107 WeakPolarHBondContact O-CA 3.44Å; V104-V107 WeakPolarHBondContact O-CB 3.32Å; V104-V107 PolarHBondContact O-N 3.31Å; K105-V107 VanDerWaalsContact C-N 3.26Å; K105-V107 PolarHBondContact O-N 3.44Å; V107-M109 PolarHBondContact O-N 2.95Å; V107-Q110 WeakPolarHBondContact O-CB 3.45Å; V107-Q110 WeakPolarHBondContact O-CG 3.44Å; V107-Q110 PolarHBondContact O-N 2.81Å; V107-Q110 PolarHBondContact O-NE2 2.92Å; V107-Y467 HydrophobicContact CG1-CD2 4.48Å; V107-Y467 HydrophobicContact CG1-CE2 4.07Å
108L98.9Very high98.5Very high0 Ų061.6 Ų61.60%034%0.339CS..Hα-helixtrans-63.4-23.9176.1-62.4-179.9000113.6C69 L70 V73 L90 V92 V104 K105 Q110 L111 V156C69-L108 HydrophobicContact CB-CD1 4.26Å; C69-L108 HydrophobicContact CB-CD2 3.77Å; C69-L108 HydrophobicContact CB-CG 4.42Å; L70-L108 HydrophobicContact CB-CD2 4.4Å; L70-L108 HydrophobicContact CD2-CD2 3.83Å; L70-L108 HydrophobicContact CG-CD2 3.91Å; V73-L108 HydrophobicContact CG2-CD1 4.27Å; L90-L108 HydrophobicContact CD1-CD1 4.23Å; L90-L108 HydrophobicContact CD2-CB 3.82Å; L90-L108 HydrophobicContact CD2-CD1 4.11Å; L90-L108 HydrophobicContact CG-CD1 4.45Å; V92-L108 HydrophobicContact CG2-CD1 3.63Å; V104-L108 HydrophobicContact CG1-CG 4.41Å; V104-L108 PolarHBondContact O-N 3.24Å; K105-L108 WeakPolarHBondContact O-CB 3.4Å; K105-L108 PolarHBondContact O-N 2.88Å; L108-Q110 PolarHBondContact O-N 3.32Å; L108-Q110 VanDerWaalsContact O-N 3.11Å; L108-L111 WeakPolarHBondContact O-CB 3.3Å; L108-L111 PolarHBondContact O-N 3.33Å; L108-V156 HydrophobicContact CD1-CG2 4.15Å
109M98.9Very high98.6Very high30 Ų3065 Ų6515%0.14836%0.358CS..G310 helixtrans-59.2-20.9175.6-66.2-51.7-55.500113.3K105 V107 L111 F112 E113 V120K105-M109 HydrophobicContact CD-CG 4.44Å; K105-M109 HydrophobicContact CD-SD 4.37Å; K105-M109 PolarHBondContact O-N 2.76Å; V107-M109 PolarHBondContact O-N 2.95Å; M109-L111 PolarHBondContact O-N 3.14Å; M109-F112 HydrophobicContact CE-CB 3.92Å; M109-F112 HydrophobicContact CE-CD2 4.43Å; M109-F112 HydrophobicContact CE-CG 4.15Å; M109-F112 WeakPolarHBondContact O-CA 3.47Å; M109-F112 WeakPolarHBondContact O-CB 3.23Å; M109-F112 PolarHBondContact O-N 3.14Å; M109-F112 HydrophobicContact SD-CD2 4.45Å; M109-E113 PolarHBondContact O-N 2.91Å; M109-V120 HydrophobicContact CE-CB 4.29Å; M109-V120 HydrophobicContact CE-CG2 4.24Å; M109-V120 HydrophobicContact SD-CB 4.48Å
110Q98.8Very high98.6Very high80 Ų8061.4 Ų61.437%0.37434%0.339SS..G310 helixtrans-54.6-33.3171.2-73.4170.293.400112.5V107 L108 F112V107-Q110 WeakPolarHBondContact O-CB 3.45Å; V107-Q110 WeakPolarHBondContact O-CG 3.44Å; V107-Q110 PolarHBondContact O-N 2.81Å; V107-Q110 PolarHBondContact O-NE2 2.92Å; L108-Q110 PolarHBondContact O-N 3.32Å; L108-Q110 VanDerWaalsContact O-N 3.11Å; Q110-F112 PolarHBondContact O-N 2.78Å
111L98.8Very high98.7Very high18 Ų1856.9 Ų56.99%0.09432%0.32CS..G310 helixtrans-70.6-18.2177.5-59.6178000113L70 V73 Q74 Y84 L108 M109 W454L70-L111 HydrophobicContact CD2-CD1 3.88Å; L70-L111 HydrophobicContact CD2-CD2 3.98Å; L70-L111 HydrophobicContact CD2-CG 3.69Å; V73-L111 HydrophobicContact CB-CD1 3.97Å; V73-L111 HydrophobicContact CG1-CD1 3.57Å; Q74-L111 HydrophobicContact CB-CD1 4.3Å; Q74-L111 HydrophobicContact CB-CD2 4.42Å; Y84-L111 HydrophobicContact CD1-CB 4.4Å; Y84-L111 WeakPolarHBondContact CD1-O 3.2Å; Y84-L111 HydrophobicContact CE1-CB 3.61Å; Y84-L111 WeakPolarHBondContact CE1-O 3.25Å; L108-L111 WeakPolarHBondContact O-CB 3.3Å; L108-L111 PolarHBondContact O-N 3.33Å; M109-L111 PolarHBondContact O-N 3.14Å; L111-W454 HydrophobicContact CD2-CH2 4.47Å; L111-W454 HydrophobicContact CD2-CZ2 3.64Å
112F98.8Very high98.7Very high1 Ų152 Ų520%0.00429%0.288CS..THydrogen-bonded Turntrans-100.7-13.7-177-67.2-101.3000112.6Y84 I87 L90 M109 Q110 D114 S115 G116 N117Y84-F112 AromaticContact CD1-CD1 3.75Å; Y84-F112 HydrophobicContact CD1-CD1 3.75Å; Y84-F112 HydrophobicContact CD1-CD2 4.04Å; Y84-F112 AromaticContact CD1-CE1 3.65Å; Y84-F112 HydrophobicContact CD1-CE1 3.65Å; Y84-F112 AromaticContact CD1-CE2 3.96Å; Y84-F112 HydrophobicContact CD1-CE2 3.96Å; Y84-F112 AromaticContact CD1-CG 3.93Å; Y84-F112 HydrophobicContact CD1-CG 3.93Å; Y84-F112 AromaticContact CD1-CZ 3.77Å; Y84-F112 HydrophobicContact CD1-CZ 3.77Å; Y84-F112 HydrophobicContact CE1-CD2 4.49Å; Y84-F112 HydrophobicContact CE1-CE2 4.29Å; Y84-F112 HydrophobicContact CE1-CZ 4.38Å; Y84-F112 HydrophobicContact CG-CD1 4.22Å; Y84-F112 HydrophobicContact CG-CE1 4.36Å; Y84-F112 WeakPolarHBondContact O-CE1 3.31Å; I87-F112 HydrophobicContact CB-CE1 3.8Å; I87-F112 HydrophobicContact CB-CZ 4.26Å; I87-F112 HydrophobicContact CG1-CE1 3.92Å; I87-F112 HydrophobicContact CG1-CZ 4.21Å; I87-F112 HydrophobicContact CG2-CE1 4.22Å; I87-F112 HydrophobicContact CG2-CZ 4.27Å; L90-F112 HydrophobicContact CD2-CE2 3.76Å; L90-F112 HydrophobicContact CD2-CZ 4.21Å; M109-F112 HydrophobicContact CE-CB 3.92Å; M109-F112 HydrophobicContact CE-CD2 4.43Å; M109-F112 HydrophobicContact CE-CG 4.15Å; M109-F112 WeakPolarHBondContact O-CA 3.47Å; M109-F112 WeakPolarHBondContact O-CB 3.23Å; M109-F112 PolarHBondContact O-N 3.14Å; M109-F112 HydrophobicContact SD-CD2 4.45Å; Q110-F112 PolarHBondContact O-N 2.78Å; F112-D114 PolarHBondContact O-N 2.8Å; F112-S115 PolarHBondContact O-N 2.73Å; F112-S115 VanDerWaalsContact O-N 3.13Å; F112-S115 PolarHBondContact O-OG 2.78Å; F112-G116 PolarHBondContact O-N 3.38Å; F112-N117 WeakPolarHBondContact CB-O 3.35Å; F112-N117 HydrophobicContact CD1-CB 4.45Å
113E97.9Very high98.7Very high126 Ų12651.9 Ų51.959%0.58929%0.292SS*.G310 helixtrans-55.2-48.1-173-75175.5-166.700112.5M109 S115 G116M109-E113 PolarHBondContact O-N 2.91Å; E113-S115 VanDerWaalsContact C-N 3.28Å; E113-S115 PolarHBondContact O-N 3.13Å; E113-G116 PolarHBondContact O-N 3.36Å
114D97.6Very high98.7Very high171 Ų17152.8 Ų52.891%0.91430%0.296SS*.G310 helixtrans-65.6-28.6-178.1-72.5-15.3000113.4F112 G116F112-D114 PolarHBondContact O-N 2.8Å; D114-G116 VanDerWaalsContact C-N 3.29Å
115S98.3Very high98.7Very high44 Ų4454 Ų5431%0.30830%0.303SS..G310 helixtrans-75.4-20.9174.669.60000112.8F112 E113 N117F112-S115 PolarHBondContact O-N 2.73Å; F112-S115 VanDerWaalsContact O-N 3.13Å; F112-S115 PolarHBondContact O-OG 2.78Å; E113-S115 VanDerWaalsContact C-N 3.28Å; E113-S115 PolarHBondContact O-N 3.13Å; S115-N117 PolarHBondContact O-N 2.93Å; S115-N117 WeakPolarHBondContact OG-CB 3.21Å; S115-N117 PolarHBondContact OG-N 2.97Å
116G98.5Very high98.7Very high50 Ų5056.4 Ų56.452%0.51532%0.32SS..THydrogen-bonded Turntrans75.3-1.5-169.800000114.4F112 E113 D114 T118F112-G116 PolarHBondContact O-N 3.38Å; E113-G116 PolarHBondContact O-N 3.36Å; D114-G116 VanDerWaalsContact C-N 3.29Å; G116-T118 PolarHBondContact O-N 2.9Å
117N98.7Very high98.7Very high13 Ų1356.5 Ų56.57%0.0732%0.318CS..  trans-72.794.4177.9-175.321.1000111.6Y84 I87 F112 S115 R151Y84-N117 PolarHBondContact O-ND2 3.42Å; I87-N117 PolarHBondContact O-ND2 2.73Å; F112-N117 WeakPolarHBondContact CB-O 3.35Å; F112-N117 HydrophobicContact CD1-CB 4.45Å; S115-N117 PolarHBondContact O-N 2.93Å; S115-N117 WeakPolarHBondContact OG-CB 3.21Å; S115-N117 PolarHBondContact OG-N 2.97Å; N117-R151 PolarHBondContact OD1-NH1 3.13Å
118T98.6Very high98.6Very high107 Ų10756.8 Ų56.866%0.65632%0.321SS*.  trans-111.3-13.5-179.652.20000113.3G116 V120G116-T118 PolarHBondContact O-N 2.9Å; T118-V120 VanDerWaalsContact C-N 3.27Å; T118-V120 PolarHBondContact O-N 2.94Å
119D98.8Very high98.6Very high120 Ų12057.2 Ų57.264%0.64233%0.325SS*.  trans-82.873.5174.5-17219.2000109.8R151D119-R151 PolarHBondContact O-NH1 3.38Å; D119-R151 VanDerWaalsContact O-NH1 3.12Å; D119-R151 PolarHBondContact O-NH2 3.18Å
120V98.8Very high98.6Very high8 Ų856.5 Ų56.55%0.04832%0.32CS..  trans-130.8109.3-176.9-175.60000109.2I87 G88 L90 K105 M109 T118I87-V120 HydrophobicContact CG2-CG1 4.27Å; G88-V120 WeakPolarHBondContact O-CA 3.42Å; L90-V120 HydrophobicContact CB-CG1 3.72Å; K105-V120 PolarHBondContact NZ-O 3.24Å; M109-V120 HydrophobicContact CE-CB 4.29Å; M109-V120 HydrophobicContact CE-CG2 4.24Å; M109-V120 HydrophobicContact SD-CB 4.48Å; T118-V120 VanDerWaalsContact C-N 3.27Å; T118-V120 PolarHBondContact O-N 2.94Å
121E98.9Very high98.6Very high86 Ų8652.7 Ų52.740%0.40230%0.302SS..BIsolated β-bridgetrans-66.3167.9178.5-79.9-169.6-159.600112.8G88 R89 L90 W142G88-E121 PolarHBondContact O-N 3.23Å; R89-E121 CarbonylContact C-O 3.51Å; R89-E121 WeakPolarHBondContact CA-O 3.35Å; R89-E121 HydrophobicContact CB-CB 4.39Å; R89-E121 HydrophobicContact CG-CB 4.2Å; R89-E121 IonicContact NH1-OE2 2.67Å; R89-E121 PolarHBondContact NH1-OE2 3.4Å; L90-E121 PolarHBondContact N-O 2.93Å; E121-W142 VanDerWaalsContact OE2-CD1 3.24Å; E121-W142 PolarHBondContact OE2-NE1 2.93Å
122G98.6Very high98.6Very high14 Ų1451.8 Ų51.814%0.14430%0.298CS..  trans96.6158.2177.300000113.7L90 K105L90-G122 CarbonylContact O-C 3.53Å; L90-G122 VanDerWaalsContact O-CA 3.32Å; L90-G122 WeakPolarHBondContact O-CA 3.35Å; K105-G122 VanDerWaalsContact CD-O 3.22Å; K105-G122 WeakPolarHBondContact CD-O 3.36Å; K105-G122 WeakPolarHBondContact CE-O 3.48Å; K105-G122 PolarHBondContact NZ-O 3.02Å
123I98.8Very high98.6Very high108 Ų10851.8 Ų51.855%0.55430%0.298SS*.  trans-144.3-142.6-178.551.7167.6000109.2E91 V92E91-I123 WeakPolarHBondContact CA-O 3.36Å; E91-I123 WeakPolarHBondContact CG-O 3.36Å; V92-I123 PolarHBondContact N-O 3.4Å
124D98.9Very high98.7Very high37 Ų3746.6 Ų46.620%0.19828%0.276CS..EExtended strand (participates in β ladder)trans-102.4150.7169-67.47.1000110.3V92 S103 V104 K105V92-D124 WeakPolarHBondContact CB-OD1 3.43Å; V92-D124 CarbonylContact O-C 3.48Å; V92-D124 WeakPolarHBondContact O-CA 3.45Å; S103-D124 VanDerWaalsContact CA-OD2 3.25Å; S103-D124 WeakPolarHBondContact CA-OD2 3.49Å; S103-D124 VanDerWaalsContact CB-CG 3.4Å; S103-D124 WeakPolarHBondContact CB-OD1 3.23Å; V104-D124 PolarHBondContact N-OD1 2.88Å; V104-D124 PolarHBondContact N-OD2 3.02Å; K105-D124 WeakPolarHBondContact CB-OD1 3.4Å; K105-D124 PolarHBondContact N-OD1 2.79Å
125T98.8Very high98.7Very high32 Ų3238.4 Ų38.420%0.19623%0.233CC..EExtended strand (participates in β ladder)trans-135131.7172.8174.40000110.7E91 V92 G93 G131 A134 A135E91-T125 HydrophobicContact CG-CG2 4.18Å; V92-T125 PolarHBondContact O-N 3.09Å; G93-T125 WeakPolarHBondContact CA-O 3.35Å; T125-G131 WeakPolarHBondContact CG2-O 3.16Å; T125-G131 WeakPolarHBondContact O-CA 3.43Å; T125-A134 HydrophobicContact CG2-CB 4.01Å; T125-A135 HydrophobicContact CG2-CB 3.7Å
126T98.8Very high98.8Very high73 Ų7336.3 Ų36.345%0.44822%0.218SC..  trans-134.9125.6-169.6-59.60000111.9T94 E95T94-T126 WeakPolarHBondContact O-CB 3.36Å; T94-T126 VanDerWaalsContact O-CG2 3.25Å; T94-T126 WeakPolarHBondContact O-CG2 3.45Å; T94-T126 PolarHBondContact O-OG1 2.78Å; E95-T126 HydrophobicContact CB-CG2 4.46Å
127N98.7Very high98.8Very high58 Ų5834.6 Ų34.631%0.3120%0.196SC..SBendtrans-153.990.9153-178102.9000107.3C129 Y130 G377 S378N127-C129 PolarHBondContact O-N 2.92Å; N127-Y130 VanDerWaalsContact O-CB 3.27Å; N127-Y130 WeakPolarHBondContact O-CB 3.5Å; N127-Y130 PolarHBondContact O-N 3.45Å; N127-G377 PolarHBondContact ND2-O 3.27Å; N127-S378 PolarHBondContact ND2-O 3.45Å
128A98.4Very high98.8Very high16 Ų1636.9 Ų36.913%0.13221%0.208CC..G310 helixtrans44.5-139.6-17600000111.5E95 Y130 G131 T347E95-A128 WeakPolarHBondContact OE1-CA 3.43Å; A128-Y130 PolarHBondContact O-N 3.02Å; A128-G131 PolarHBondContact O-N 3.09Å; A128-T347 VanDerWaalsContact O-CG2 3.24Å; A128-T347 WeakPolarHBondContact O-CG2 3.28Å
129C98.6Very high98.8Very high10 Ų1031.8 Ų31.87%0.06818%0.178CC..G310 helixtrans-67.3-0.7179.9-51.70000114.9E95 N127 Y346 T347 Y376E95-C129 PolarHBondContact OE1-N 2.87Å; E95-C129 PolarHBondContact OE1-SG 2.99Å; N127-C129 PolarHBondContact O-N 2.92Å; C129-Y346 VanDerWaalsContact SG-CA 3.57Å; C129-Y346 WeakPolarHBondContact SG-CD1 3.4Å; C129-T347 WeakPolarHBondContact O-CA 3.39Å; C129-Y376 CarbonylContact C-O 3.49Å; C129-Y376 VanDerWaalsContact CB-O 3.27Å; C129-Y376 WeakPolarHBondContact CB-O 3.43Å
130Y98.9Very high98.8Very high14 Ų1426.1 Ų26.16%0.05515%0.147CC..G310 helixtrans-88.5-15.9179.7-173.1-101.3000113.6N127 A128 G132 T133 A134 M198 A381 T383N127-Y130 VanDerWaalsContact O-CB 3.27Å; N127-Y130 WeakPolarHBondContact O-CB 3.5Å; N127-Y130 PolarHBondContact O-N 3.45Å; A128-Y130 PolarHBondContact O-N 3.02Å; Y130-G132 VanDerWaalsContact C-N 3.29Å; Y130-G132 PolarHBondContact O-N 2.92Å; Y130-G132 VanDerWaalsContact O-N 3.16Å; Y130-T133 HydrophobicContact CD2-CG2 4.37Å; Y130-T133 HydrophobicContact CE2-CG2 3.73Å; Y130-T133 WeakPolarHBondContact O-CB 3.35Å; Y130-T133 PolarHBondContact O-N 3.12Å; Y130-A134 HydrophobicContact CD1-CB 4.24Å; Y130-A134 HydrophobicContact CE1-CB 4.09Å; Y130-A134 PolarHBondContact O-N 3.18Å; Y130-A134 VanDerWaalsContact O-N 3.09Å; Y130-M198 HydrophobicContact CE1-CE 4.41Å; Y130-A381 HydrophobicContact CD1-CB 3.85Å; Y130-A381 HydrophobicContact CE1-CB 4.3Å; Y130-A381 HydrophobicContact CG-CB 3.99Å; Y130-T383 PolarHBondContact OH-OG1 3.36Å
131G98.8Very high98.8Very high0 Ų029.1 Ų29.10%016%0.163CC..Hα-helixtrans-51.7-41.8-17400000114.2G93 T125 A128 T133 A134 A135G93-G131 VanDerWaalsContact CA-C 3.45Å; T125-G131 WeakPolarHBondContact CG2-O 3.16Å; T125-G131 WeakPolarHBondContact O-CA 3.43Å; A128-G131 PolarHBondContact O-N 3.09Å; G131-T133 VanDerWaalsContact C-N 3.32Å; G131-T133 PolarHBondContact O-N 3.25Å; G131-A134 WeakPolarHBondContact O-CB 3.46Å; G131-A134 PolarHBondContact O-N 2.78Å; G131-A135 PolarHBondContact O-N 3.44Å
132G98.9Very high98.8Very high0 Ų025.6 Ų25.60%015%0.146CC..Hα-helixtrans-61.6-37.317700000113.6Y130 A135 L136 Y351Y130-G132 VanDerWaalsContact C-N 3.29Å; Y130-G132 PolarHBondContact O-N 2.92Å; Y130-G132 VanDerWaalsContact O-N 3.16Å; G132-A135 PolarHBondContact O-N 2.78Å; G132-L136 WeakPolarHBondContact O-CB 3.42Å; G132-L136 PolarHBondContact O-N 2.87Å; G132-Y351 PolarHBondContact O-OH 2.82Å
133T98.9Very high98.8Very high0 Ų025 Ų250%014%0.139CC..Hα-helixtrans-71.6-37.6175.9-59.90000112.4Y130 G131 L136 F137 Y351 S375 Y385Y130-T133 HydrophobicContact CD2-CG2 4.37Å; Y130-T133 HydrophobicContact CE2-CG2 3.73Å; Y130-T133 WeakPolarHBondContact O-CB 3.35Å; Y130-T133 PolarHBondContact O-N 3.12Å; G131-T133 VanDerWaalsContact C-N 3.32Å; G131-T133 PolarHBondContact O-N 3.25Å; T133-L136 PolarHBondContact O-N 2.98Å; T133-F137 HydrophobicContact CG2-CD1 4.49Å; T133-F137 HydrophobicContact CG2-CD2 4.01Å; T133-F137 HydrophobicContact CG2-CE1 4.02Å; T133-F137 HydrophobicContact CG2-CE2 3.49Å; T133-F137 VanDerWaalsContact CG2-CE2 3.49Å; T133-F137 HydrophobicContact CG2-CG 4.48Å; T133-F137 HydrophobicContact CG2-CZ 3.5Å; T133-F137 VanDerWaalsContact O-CG 3.32Å; T133-F137 WeakPolarHBondContact O-CG 3.49Å; T133-F137 PolarHBondContact O-N 3.27Å; T133-Y351 WeakPolarHBondContact CA-OH 3.12Å; T133-Y351 PolarHBondContact N-OH 2.84Å; T133-Y351 PolarHBondContact OG1-OH 3.29Å; T133-Y351 VanDerWaalsContact OG1-OH 3.07Å; T133-S375 WeakPolarHBondContact CB-OG 3.37Å; T133-S375 WeakPolarHBondContact OG1-CB 3.15Å; T133-S375 PolarHBondContact OG1-OG 3.29Å; T133-Y385 HydrophobicContact CG2-CE1 4.05Å
134A98.9Very high98.8Very high17 Ų1721.1 Ų21.114%0.1412%0.119CC..Hα-helixtrans-59.6-48.4171.300000110.8T125 Y130 G131 L136 F137 N138T125-A134 HydrophobicContact CG2-CB 4.01Å; Y130-A134 HydrophobicContact CD1-CB 4.24Å; Y130-A134 HydrophobicContact CE1-CB 4.09Å; Y130-A134 PolarHBondContact O-N 3.18Å; Y130-A134 VanDerWaalsContact O-N 3.09Å; G131-A134 WeakPolarHBondContact O-CB 3.46Å; G131-A134 PolarHBondContact O-N 2.78Å; A134-L136 VanDerWaalsContact C-N 3.33Å; A134-L136 PolarHBondContact O-N 2.9Å; A134-F137 PolarHBondContact O-N 3.1Å; A134-N138 WeakPolarHBondContact O-CB 3.44Å; A134-N138 PolarHBondContact O-N 3.46Å; A134-N138 PolarHBondContact O-ND2 3.27Å
135A98.9Very high98.7Very high0 Ų021.5 Ų21.50%013%0.125CC..Hα-helixtrans-59.8-42.9177.800000112.4E91 T125 G131 G132 N138 A139 V155E91-A135 HydrophobicContact CB-CB 4.22Å; E91-A135 HydrophobicContact CG-CB 3.81Å; E91-A135 WeakPolarHBondContact OE1-CA 3.08Å; T125-A135 HydrophobicContact CG2-CB 3.7Å; G131-A135 PolarHBondContact O-N 3.44Å; G132-A135 PolarHBondContact O-N 2.78Å; A135-N138 PolarHBondContact O-N 2.64Å; A135-A139 WeakPolarHBondContact O-CB 3.39Å; A135-A139 PolarHBondContact O-N 2.86Å; A135-V155 HydrophobicContact CB-CG1 3.79Å
136L98.9Very high98.7Very high0 Ų025.3 Ų25.30%015%0.152CC..Hα-helixtrans-62.5-44.6176.6-178.357.3000112.6G132 T133 A134 A139 V140 V155 M179 I181 F189 Y351G132-L136 WeakPolarHBondContact O-CB 3.42Å; G132-L136 PolarHBondContact O-N 2.87Å; T133-L136 PolarHBondContact O-N 2.98Å; A134-L136 VanDerWaalsContact C-N 3.33Å; A134-L136 PolarHBondContact O-N 2.9Å; L136-A139 PolarHBondContact O-N 3.39Å; L136-V140 WeakPolarHBondContact O-CG2 3.33Å; L136-V140 PolarHBondContact O-N 3.4Å; L136-V155 HydrophobicContact CB-CG1 4.29Å; L136-V155 HydrophobicContact CD1-CG2 4.36Å; L136-M179 HydrophobicContact CD1-CE 4.48Å; L136-M179 HydrophobicContact CD2-CE 4.31Å; L136-M179 HydrophobicContact CD2-SD 4.41Å; L136-I181 HydrophobicContact CD1-CD1 3.37Å; L136-I181 HydrophobicContact CD1-CG1 3.92Å; L136-F189 HydrophobicContact CD1-CE2 4.2Å; L136-F189 HydrophobicContact CD1-CZ 3.95Å; L136-F189 HydrophobicContact CD2-CZ 3.7Å; L136-F189 HydrophobicContact CG-CE2 4.38Å; L136-F189 HydrophobicContact CG-CZ 3.64Å; L136-Y351 HydrophobicContact CD2-CE1 3.48Å; L136-Y351 VanDerWaalsContact CD2-CE1 3.48Å; L136-Y351 VanDerWaalsContact CD2-OH 3.25Å; L136-Y351 WeakPolarHBondContact CD2-OH 3.38Å
137F98.9Very high98.6Very high13 Ų1325.2 Ų25.26%0.05716%0.155CC..Hα-helixtrans-66.6-39.7176.6-68.8-16.3000112.2T133 A134 A139 V140 N141 F189 R194 T383 Y385T133-F137 HydrophobicContact CG2-CD1 4.49Å; T133-F137 HydrophobicContact CG2-CD2 4.01Å; T133-F137 HydrophobicContact CG2-CE1 4.02Å; T133-F137 HydrophobicContact CG2-CE2 3.49Å; T133-F137 VanDerWaalsContact CG2-CE2 3.49Å; T133-F137 HydrophobicContact CG2-CG 4.48Å; T133-F137 HydrophobicContact CG2-CZ 3.5Å; T133-F137 VanDerWaalsContact O-CG 3.32Å; T133-F137 WeakPolarHBondContact O-CG 3.49Å; T133-F137 PolarHBondContact O-N 3.27Å; A134-F137 PolarHBondContact O-N 3.1Å; F137-A139 VanDerWaalsContact C-N 3.32Å; F137-A139 PolarHBondContact O-N 2.88Å; F137-V140 PolarHBondContact O-N 3.09Å; F137-N141 WeakPolarHBondContact O-CB 3.47Å; F137-N141 PolarHBondContact O-N 3.38Å; F137-N141 PolarHBondContact O-ND2 2.95Å; F137-N141 PolarHBondContact O-OD1 3.32Å; F137-F189 HydrophobicContact CD1-CE1 4.17Å; F137-F189 AromaticContact CE1-CE1 3.93Å; F137-F189 HydrophobicContact CE1-CE1 3.93Å; F137-R194 HydrophobicContact CE1-CG 4.39Å; F137-R194 HydrophobicContact CZ-CG 4.15Å; F137-T383 HydrophobicContact CE2-CG2 3.74Å; F137-T383 HydrophobicContact CZ-CG2 3.7Å; F137-Y385 AromaticContact CE1-CD1 3.99Å; F137-Y385 HydrophobicContact CE1-CD1 3.99Å; F137-Y385 HydrophobicContact CE1-CD2 4.17Å; F137-Y385 HydrophobicContact CE1-CE1 4.2Å; F137-Y385 HydrophobicContact CE1-CE2 4.36Å; F137-Y385 AromaticContact CE1-CG 3.96Å; F137-Y385 HydrophobicContact CE1-CG 3.96Å; F137-Y385 AromaticContact CZ-CD1 3.64Å; F137-Y385 HydrophobicContact CZ-CD1 3.64Å; F137-Y385 HydrophobicContact CZ-CE1 4.05Å; F137-Y385 AromaticContact CZ-CG 3.9Å; F137-Y385 HydrophobicContact CZ-CG 3.9Å
138N98.9Very high98.6Very high61 Ų6126 Ų2633%0.32615%0.154SC..Hα-helixtrans-61.4-41.9175.4-69.2-17.5000111.2E91 A134 A135 N141 W142E91-N138 WeakPolarHBondContact OE1-CB 3.44Å; E91-N138 PolarHBondContact OE1-ND2 3.25Å; A134-N138 WeakPolarHBondContact O-CB 3.44Å; A134-N138 PolarHBondContact O-N 3.46Å; A134-N138 PolarHBondContact O-ND2 3.27Å; A135-N138 PolarHBondContact O-N 2.64Å; N138-N141 PolarHBondContact O-N 3.3Å; N138-W142 WeakPolarHBondContact O-CB 3.43Å; N138-W142 PolarHBondContact O-N 2.87Å
139A98.9Very high98.6Very high1 Ų128.9 Ų28.91%0.00817%0.167CC..Hα-helixtrans-62.5-49175.200000112.8A135 L136 F137 N141 W142 V143 A153 V155 I181A135-A139 WeakPolarHBondContact O-CB 3.39Å; A135-A139 PolarHBondContact O-N 2.86Å; L136-A139 PolarHBondContact O-N 3.39Å; F137-A139 VanDerWaalsContact C-N 3.32Å; F137-A139 PolarHBondContact O-N 2.88Å; A139-N141 VanDerWaalsContact C-N 3.34Å; A139-N141 PolarHBondContact O-N 3.33Å; A139-W142 PolarHBondContact O-N 3.35Å; A139-V143 WeakPolarHBondContact O-CG2 3.48Å; A139-V143 PolarHBondContact O-N 3.3Å; A139-A153 HydrophobicContact CB-CB 3.7Å; A139-V155 HydrophobicContact CB-CG2 3.43Å; A139-V155 VanDerWaalsContact CB-CG2 3.43Å; A139-I181 HydrophobicContact CB-CB 4.43Å; A139-I181 HydrophobicContact CB-CG1 4.19Å; A139-I181 HydrophobicContact CB-CG2 4.5Å
140V98.8Very high98.5Very high1 Ų130.8 Ų30.81%0.00619%0.188CC..Hα-helixtrans-59.6-46.5176.8172.20000110.8V17 L136 F137 W142 V143 E144 I181 F189V17-V140 HydrophobicContact CG1-CB 4.42Å; V17-V140 HydrophobicContact CG1-CG1 4.02Å; V17-V140 HydrophobicContact CG1-CG2 4.39Å; L136-V140 WeakPolarHBondContact O-CG2 3.33Å; L136-V140 PolarHBondContact O-N 3.4Å; F137-V140 PolarHBondContact O-N 3.09Å; V140-W142 VanDerWaalsContact C-N 3.3Å; V140-W142 PolarHBondContact O-N 3.17Å; V140-V143 PolarHBondContact O-N 2.94Å; V140-E144 WeakPolarHBondContact O-CB 3.16Å; V140-E144 WeakPolarHBondContact O-CG 3.1Å; V140-E144 PolarHBondContact O-N 3.32Å; V140-I181 HydrophobicContact CG2-CG2 4.03Å; V140-F189 HydrophobicContact CG1-CD2 4.41Å; V140-F189 HydrophobicContact CG1-CG 4.44Å; V140-F189 HydrophobicContact CG2-CD2 3.56Å; V140-F189 HydrophobicContact CG2-CE1 4.4Å; V140-F189 HydrophobicContact CG2-CE2 3.36Å; V140-F189 HydrophobicContact CG2-CG 4.19Å; V140-F189 HydrophobicContact CG2-CZ 3.82Å
141N98.8Very high98.5Very high71 Ų7132.5 Ų32.538%0.3819%0.194SC..Hα-helixtrans-62.6-38178.6-62.4-10.7000111.4F137 N138 A139 E144 S145 R194F137-N141 WeakPolarHBondContact O-CB 3.47Å; F137-N141 PolarHBondContact O-N 3.38Å; F137-N141 PolarHBondContact O-ND2 2.95Å; F137-N141 PolarHBondContact O-OD1 3.32Å; N138-N141 PolarHBondContact O-N 3.3Å; A139-N141 VanDerWaalsContact C-N 3.34Å; A139-N141 PolarHBondContact O-N 3.33Å; N141-E144 CarbonylContact O-C 3.33Å; N141-E144 PolarHBondContact O-N 2.97Å; N141-S145 WeakPolarHBondContact O-CB 3.25Å; N141-S145 PolarHBondContact O-N 3.48Å; N141-S145 VanDerWaalsContact O-N 3.1Å; N141-R194 PolarHBondContact OD1-NH1 3.07Å; N141-R194 PolarHBondContact OD1-NH2 3.39Å
142W98.8Very high98.5Very high12 Ų1236.2 Ų36.25%0.04521%0.209CC..Hα-helixtrans-65.2-47.1176.7173.486.4000111.7R89 E121 N138 A139 V140 E144 S145 W148 D149 A153R89-W142 HydrophobicContact CB-CD2 3.94Å; R89-W142 HydrophobicContact CB-CE3 3.92Å; R89-W142 HydrophobicContact CB-CH2 4.21Å; R89-W142 HydrophobicContact CB-CZ2 4.24Å; R89-W142 HydrophobicContact CB-CZ3 4.05Å; E121-W142 VanDerWaalsContact OE2-CD1 3.24Å; E121-W142 PolarHBondContact OE2-NE1 2.93Å; N138-W142 WeakPolarHBondContact O-CB 3.43Å; N138-W142 PolarHBondContact O-N 2.87Å; A139-W142 PolarHBondContact O-N 3.35Å; V140-W142 VanDerWaalsContact C-N 3.3Å; V140-W142 PolarHBondContact O-N 3.17Å; W142-E144 PolarHBondContact O-N 3.39Å; W142-S145 WeakPolarHBondContact O-CB 3.06Å; W142-S145 PolarHBondContact O-N 3.13Å; W142-S145 PolarHBondContact O-OG 3.17Å; W142-W148 AromaticContact CE3-CD1 3.87Å; W142-W148 AromaticContact CH2-CD1 3.5Å; W142-W148 VanDerWaalsContact CH2-CD1 3.5Å; W142-W148 AromaticContact CH2-NE1 4Å; W142-W148 AromaticContact CZ3-CD1 3.4Å; W142-W148 AromaticContact CZ3-NE1 3.77Å; W142-D149 WeakPolarHBondContact CH2-OD1 3.22Å; W142-A153 HydrophobicContact CE3-CB 3.89Å; W142-A153 HydrophobicContact CZ3-CB 3.96Å
143V98.8Very high98.5Very high0 Ų036.2 Ų36.20%021%0.209CC..Hα-helixtrans-58.3-37.2175.4174.30000110.8P14 V17 A139 V140 S145 W148 A153 I181P14-V143 HydrophobicContact CB-CG1 4.47Å; P14-V143 HydrophobicContact CG-CG1 4.01Å; P14-V143 VanDerWaalsContact CG-O 3.28Å; P14-V143 WeakPolarHBondContact CG-O 3.43Å; V17-V143 HydrophobicContact CB-CG1 4.42Å; V17-V143 HydrophobicContact CG1-CB 3.91Å; V17-V143 HydrophobicContact CG1-CG1 3.75Å; V17-V143 HydrophobicContact CG1-CG2 4.48Å; V17-V143 HydrophobicContact CG2-CG1 3.72Å; A139-V143 WeakPolarHBondContact O-CG2 3.48Å; A139-V143 PolarHBondContact O-N 3.3Å; V140-V143 PolarHBondContact O-N 2.94Å; V143-S145 VanDerWaalsContact C-N 3.29Å; V143-S145 PolarHBondContact O-N 3.38Å; V143-W148 HydrophobicContact CG1-CD2 4.23Å; V143-W148 HydrophobicContact CG1-CZ2 4.36Å; V143-W148 WeakPolarHBondContact O-CB 3.36Å; V143-A153 HydrophobicContact CG2-CB 4.28Å; V143-I181 HydrophobicContact CG2-CG2 4.45Å
144E98.3Very high98.5Very high27 Ų2736.3 Ų36.313%0.12621%0.209CC..THydrogen-bonded Turntrans-81.8-1.4178.4-71-171.6148.700114.5W13 P14 V17 V140 N141 W142 R191W13-E144 HydrophobicContact CE3-CB 3.59Å; W13-E144 HydrophobicContact CE3-CG 3.93Å; W13-E144 HydrophobicContact CZ3-CB 3.59Å; W13-E144 HydrophobicContact CZ3-CG 4.22Å; P14-E144 HydrophobicContact CG-CG 4.44Å; V17-E144 HydrophobicContact CB-CG 4.33Å; V17-E144 HydrophobicContact CG2-CG 3.87Å; V140-E144 WeakPolarHBondContact O-CB 3.16Å; V140-E144 WeakPolarHBondContact O-CG 3.1Å; V140-E144 PolarHBondContact O-N 3.32Å; N141-E144 CarbonylContact O-C 3.33Å; N141-E144 PolarHBondContact O-N 2.97Å; W142-E144 PolarHBondContact O-N 3.39Å; E144-R191 IonicContact OE1-CZ 3.25Å; E144-R191 VanDerWaalsContact OE1-CZ 3.25Å; E144-R191 IonicContact OE1-NE 2.82Å; E144-R191 PolarHBondContact OE1-NE 2.98Å; E144-R191 IonicContact OE1-NH2 2.76Å; E144-R191 PolarHBondContact OE1-NH2 3.44Å
145S97.6Very high98.5Very high46 Ų4635.5 Ų35.532%0.32220%0.203SC..SBendtrans-91.6167.6-174.579.30000113.6N141 W142 V143 S147 W148N141-S145 WeakPolarHBondContact O-CB 3.25Å; N141-S145 PolarHBondContact O-N 3.48Å; N141-S145 VanDerWaalsContact O-N 3.1Å; W142-S145 WeakPolarHBondContact O-CB 3.06Å; W142-S145 PolarHBondContact O-N 3.13Å; W142-S145 PolarHBondContact O-OG 3.17Å; V143-S145 VanDerWaalsContact C-N 3.29Å; V143-S145 PolarHBondContact O-N 3.38Å; S145-S147 PolarHBondContact O-N 2.75Å; S145-S147 PolarHBondContact OG-N 3.46Å; S145-S147 VanDerWaalsContact OG-N 3.09Å; S145-W148 WeakPolarHBondContact O-CB 3.02Å; S145-W148 PolarHBondContact O-N 3.13Å
146S97Very high98.5Very high111 Ų11135.5 Ų35.578%0.77620%0.203SC*.THydrogen-bonded Turntrans-67-13.1169.158.80000114.1
147S97.9Very high98.5Very high71 Ų7135.5 Ų35.550%0.49720%0.203SC..THydrogen-bonded Turntrans-89.6-3.6177.6-56.80000112.6S145 D149S145-S147 PolarHBondContact O-N 2.75Å; S145-S147 PolarHBondContact OG-N 3.46Å; S145-S147 VanDerWaalsContact OG-N 3.09Å; S147-D149 PolarHBondContact O-N 2.8Å
148W98.4Very high98.5Very high76 Ų7634.9 Ų34.929%0.28820%0.2SC..  trans-65.2129176.1-173.445.9000110.6P14 W142 V143 S145 G150 R151 P183P14-W148 HydrophobicContact CB-CE3 4.4Å; P14-W148 HydrophobicContact CB-CH2 4.33Å; P14-W148 HydrophobicContact CB-CZ3 3.91Å; P14-W148 HydrophobicContact CG-CE3 4.17Å; P14-W148 HydrophobicContact CG-CZ3 4.18Å; W142-W148 AromaticContact CE3-CD1 3.87Å; W142-W148 AromaticContact CH2-CD1 3.5Å; W142-W148 VanDerWaalsContact CH2-CD1 3.5Å; W142-W148 AromaticContact CH2-NE1 4Å; W142-W148 AromaticContact CZ3-CD1 3.4Å; W142-W148 AromaticContact CZ3-NE1 3.77Å; V143-W148 HydrophobicContact CG1-CD2 4.23Å; V143-W148 HydrophobicContact CG1-CZ2 4.36Å; V143-W148 WeakPolarHBondContact O-CB 3.36Å; S145-W148 WeakPolarHBondContact O-CB 3.02Å; S145-W148 PolarHBondContact O-N 3.13Å; W148-G150 VanDerWaalsContact CE2-CA 3.46Å; W148-R151 PolarHBondContact NE1-O 3.5Å; W148-P183 HydrophobicContact CH2-CG 3.94Å; W148-P183 HydrophobicContact CZ2-CG 4.15Å
149D97.7Very high98.5Very high76 Ų7632 Ų3241%0.40618%0.184SC..  trans-103.97.3-175.662.17.2000113.2W142 S147 R151W142-D149 WeakPolarHBondContact CH2-OD1 3.22Å; S147-D149 PolarHBondContact O-N 2.8Å; D149-R151 VanDerWaalsContact OD1-CB 3.27Å; D149-R151 WeakPolarHBondContact OD1-CB 3.47Å; D149-R151 PolarHBondContact OD1-N 3.27Å; D149-R151 IonicContact OD1-NE 3.65Å; D149-R151 IonicContact OD2-CZ 3.11Å; D149-R151 IonicContact OD2-NE 2.76Å; D149-R151 PolarHBondContact OD2-NE 2.69Å; D149-R151 IonicContact OD2-NH2 2.65Å; D149-R151 PolarHBondContact OD2-NH2 3.43Å
150G97.6Very high98.5Very high50 Ų5032 Ų3252%0.51519%0.185SC..SBendtrans90.7-10-178.100000114.7W148W148-G150 VanDerWaalsContact CE2-CA 3.46Å
151R98.8Very high98.4Very high49 Ų4932.1 Ų32.119%0.18519%0.186CC..PPolyproline II helixtrans-83.1166.4178.4-65.1-176.2-71.3170.5-0.5111.8D85 C86 I87 G88 N117 D119 W148 D149D85-R151 WeakPolarHBondContact O-CD 3.29Å; C86-R151 WeakPolarHBondContact O-CB 3.49Å; I87-R151 PolarHBondContact O-NH1 3.38Å; G88-R151 VanDerWaalsContact CA-CZ 3.45Å; N117-R151 PolarHBondContact OD1-NH1 3.13Å; D119-R151 PolarHBondContact O-NH1 3.38Å; D119-R151 VanDerWaalsContact O-NH1 3.12Å; D119-R151 PolarHBondContact O-NH2 3.18Å; W148-R151 PolarHBondContact NE1-O 3.5Å; D149-R151 VanDerWaalsContact OD1-CB 3.27Å; D149-R151 WeakPolarHBondContact OD1-CB 3.47Å; D149-R151 PolarHBondContact OD1-N 3.27Å; D149-R151 IonicContact OD1-NE 3.65Å; D149-R151 IonicContact OD2-CZ 3.11Å; D149-R151 IonicContact OD2-NE 2.76Å; D149-R151 PolarHBondContact OD2-NE 2.69Å; D149-R151 IonicContact OD2-NH2 2.65Å; D149-R151 PolarHBondContact OD2-NH2 3.43Å
152Y98.9Very high98.2Very high79 Ų7929.4 Ų29.431%0.3117%0.171SC..EExtended strand (participates in β ladder)trans-75.4154.1175.8-61.8-62.1000111.8I20 C86 I87 G88 R89 L180I20-Y152 HydrophobicContact CD1-CD1 3.79Å; I20-Y152 HydrophobicContact CD1-CE1 3.4Å; C86-Y152 HydrophobicContact CB-CD2 4.22Å; C86-Y152 PolarHBondContact O-N 2.68Å; I87-Y152 WeakPolarHBondContact CA-O 3.49Å; G88-Y152 PolarHBondContact N-O 3.25Å; R89-Y152 PolarHBondContact N-O 3.4Å; Y152-L180 HydrophobicContact CD1-CD2 4.33Å; Y152-L180 HydrophobicContact CD1-CG 4.34Å; Y152-L180 HydrophobicContact CD2-CD1 4.26Å; Y152-L180 HydrophobicContact CD2-CD2 4.11Å; Y152-L180 HydrophobicContact CD2-CG 4.45Å; Y152-L180 HydrophobicContact CE2-CD2 4.35Å; Y152-L180 HydrophobicContact CG-CD1 3.98Å; Y152-L180 HydrophobicContact CG-CD2 4.1Å; Y152-L180 HydrophobicContact CG-CG 4.04Å
153A98.9Very high98Very high0 Ų030 Ų300%017%0.174CC..EExtended strand (participates in β ladder)trans-98.2138.6161.300000109.5R89 A139 W142 V143 I181R89-A153 HydrophobicContact CB-CB 3.93Å; R89-A153 HydrophobicContact CG-CB 4.47Å; R89-A153 CarbonylContact O-C 3.21Å; R89-A153 WeakPolarHBondContact O-CA 3.34Å; A139-A153 HydrophobicContact CB-CB 3.7Å; W142-A153 HydrophobicContact CE3-CB 3.89Å; W142-A153 HydrophobicContact CZ3-CB 3.96Å; V143-A153 HydrophobicContact CG2-CB 4.28Å; A153-I181 HydrophobicContact CB-CB 4.18Å; A153-I181 PolarHBondContact N-O 2.96Å; A153-I181 PolarHBondContact O-N 3.39Å
154L98.9Very high97.6Very high1 Ų132.3 Ų32.31%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-113.4120.2176.2-177.558.9000109V73 L76 M77 I87 R89 L90 E91 A178 L180V73-L154 HydrophobicContact CG1-CD2 3.83Å; V73-L154 HydrophobicContact CG2-CD2 4.22Å; L76-L154 HydrophobicContact CD1-CD1 4.25Å; L76-L154 HydrophobicContact CD2-CD1 4.21Å; M77-L154 HydrophobicContact SD-CD2 4.49Å; I87-L154 HydrophobicContact CD1-CB 4.45Å; I87-L154 HydrophobicContact CG2-CB 3.96Å; R89-L154 PolarHBondContact O-N 3.25Å; L90-L154 VanDerWaalsContact CA-O 3.29Å; L90-L154 WeakPolarHBondContact CA-O 3.35Å; L90-L154 HydrophobicContact CD1-CB 3.93Å; L90-L154 HydrophobicContact CD1-CD2 3.91Å; L90-L154 HydrophobicContact CD1-CG 3.8Å; L90-L154 WeakPolarHBondContact CD1-O 3.44Å; E91-L154 PolarHBondContact N-O 3.34Å; L154-A178 HydrophobicContact CD1-CB 4.32Å; L154-L180 HydrophobicContact CD1-CD1 4.42Å
155V98.9Very high97.1Very high0 Ų036.3 Ų36.30%022%0.22CC..EExtended strand (participates in β ladder)trans-108131.7179.8176.60000108.3A135 L136 A139 A178 M179 I181A135-V155 HydrophobicContact CB-CG1 3.79Å; L136-V155 HydrophobicContact CB-CG1 4.29Å; L136-V155 HydrophobicContact CD1-CG2 4.36Å; A139-V155 HydrophobicContact CB-CG2 3.43Å; A139-V155 VanDerWaalsContact CB-CG2 3.43Å; V155-A178 CarbonylContact O-C 3.33Å; V155-A178 VanDerWaalsContact O-CA 3.3Å; V155-A178 WeakPolarHBondContact O-CA 3.3Å; V155-M179 HydrophobicContact CB-CB 4.46Å; V155-M179 HydrophobicContact CB-CE 4.29Å; V155-M179 HydrophobicContact CG1-CE 3.8Å; V155-M179 PolarHBondContact N-O 3.37Å; V155-M179 PolarHBondContact O-N 2.96Å; V155-I181 HydrophobicContact CG2-CG1 3.84Å
156V98.9Very high96.8Very high0 Ų036.1 Ų36.10%022%0.224CC..EExtended strand (participates in β ladder)trans-121.9125.9176.8-171.40000108.8C69 V72 V73 L90 E91 V92 G93 L108 V177C69-V156 HydrophobicContact CB-CG1 3.94Å; V72-V156 HydrophobicContact CG1-CG1 4.01Å; V73-V156 HydrophobicContact CG2-CG1 4.47Å; V73-V156 HydrophobicContact CG2-CG2 3.41Å; V73-V156 VanDerWaalsContact CG2-CG2 3.41Å; L90-V156 HydrophobicContact CD1-CG2 3.88Å; E91-V156 PolarHBondContact O-N 3.16Å; V92-V156 CarbonylContact C-O 3.54Å; V92-V156 VanDerWaalsContact CA-O 3.25Å; V92-V156 WeakPolarHBondContact CA-O 3.23Å; V92-V156 HydrophobicContact CG1-CB 4.48Å; V92-V156 HydrophobicContact CG2-CB 4.26Å; G93-V156 PolarHBondContact N-O 3.19Å; L108-V156 HydrophobicContact CD1-CG2 4.15Å; V156-V177 CarbonylContact C-O 3.59Å; V156-V177 WeakPolarHBondContact CA-O 3.02Å
157A98.9Very high96.4Very high0 Ų035.5 Ų35.50%022%0.22CC..EExtended strand (participates in β ladder)trans-113.2128.2168.500000107.9G93 A176 V177 P348 Y351G93-A157 WeakPolarHBondContact O-CA 3.44Å; A157-A176 CarbonylContact O-C 3.46Å; A157-A176 WeakPolarHBondContact O-CA 3.25Å; A157-A176 WeakPolarHBondContact O-CB 3.46Å; A157-V177 PolarHBondContact N-O 3.12Å; A157-V177 PolarHBondContact O-N 3.17Å; A157-P348 HydrophobicContact CB-CB 4.18Å; A157-P348 HydrophobicContact CB-CG 4.43Å; A157-Y351 HydrophobicContact CB-CD2 4.17Å; A157-Y351 HydrophobicContact CB-CE2 4.39Å
158G98.9Very high96.1Very high0 Ų033.6 Ų33.60%021%0.209CC..EExtended strand (participates in β ladder)trans-153.3141.9-174.400000111.3I65 G93 T94 G175 T347I65-G158 WeakPolarHBondContact CD1-O 3.35Å; G93-G158 PolarHBondContact O-N 3.01Å; T94-G158 WeakPolarHBondContact CB-O 3.38Å; T94-G158 PolarHBondContact OG1-O 3.31Å; G158-G175 WeakPolarHBondContact CA-O 3.44Å; G158-T347 PolarHBondContact N-OG1 3.3Å
159D98.9Very high95.9Very high0 Ų031.2 Ų31.20%020%0.2CC..EExtended strand (participates in β ladder)trans-165158.8180-85.9-56.3000113.1T94 E95 T96 A174 G175 M345 Y346 T347T94-D159 PolarHBondContact OG1-OD1 3.44Å; E95-D159 VanDerWaalsContact CG-OD1 3.31Å; E95-D159 WeakPolarHBondContact CG-OD1 3.44Å; E95-D159 PolarHBondContact N-OD1 3.31Å; T96-D159 WeakPolarHBondContact CB-OD1 3.37Å; T96-D159 PolarHBondContact N-OD1 2.92Å; T96-D159 VanDerWaalsContact OG1-CA 3.32Å; T96-D159 WeakPolarHBondContact OG1-CA 3.48Å; T96-D159 PolarHBondContact OG1-OD1 3.31Å; D159-A174 WeakPolarHBondContact O-CA 3.44Å; D159-G175 PolarHBondContact N-O 3.15Å; D159-G175 PolarHBondContact O-N 2.9Å; D159-G175 VanDerWaalsContact O-N 3.14Å; D159-M345 WeakPolarHBondContact CB-O 3.34Å; D159-Y346 HydrophobicContact CB-CD2 3.95Å; D159-Y346 HydrophobicContact CB-CG 4.27Å; D159-Y346 VanDerWaalsContact OD2-CB 3.31Å; D159-Y346 WeakPolarHBondContact OD2-CB 3.37Å; D159-T347 WeakPolarHBondContact OD2-CB 3.43Å; D159-T347 WeakPolarHBondContact OD2-CG2 3.29Å; D159-T347 PolarHBondContact OD2-N 2.96Å; D159-T347 PolarHBondContact OD2-OG1 3.42Å
160I98.8Very high95.9Very high3 Ų327.6 Ų27.62%0.01518%0.18CC..EExtended strand (participates in β ladder)trans-120.9104.4169.3-59.9171.7000107.4C59 L68 T96 V162 A174C59-I160 HydrophobicContact CB-CD1 4.14Å; L68-I160 HydrophobicContact CD1-CD1 4.13Å; L68-I160 HydrophobicContact CD1-CG1 3.65Å; T96-I160 HydrophobicContact CG2-CB 4.26Å; T96-I160 PolarHBondContact OG1-N 3.49Å; I160-V162 HydrophobicContact CG2-CG1 3.91Å; I160-V162 PolarHBondContact O-N 3.13Å; I160-A174 HydrophobicContact CG1-CB 4.34Å; I160-A174 HydrophobicContact CG2-CB 4.48Å
161A97.4Very high95.9Very high3 Ų326 Ų263%0.02516%0.16CC..EExtended strand (participates in β ladder)trans-90.798.8-178.500000110.8G172 G173 N344 Y346A161-G172 WeakPolarHBondContact O-CA 3.21Å; A161-G173 WeakPolarHBondContact CA-O 3.35Å; A161-G173 WeakPolarHBondContact CB-O 3.43Å; A161-G173 PolarHBondContact N-O 3.33Å; A161-G173 PolarHBondContact O-N 2.92Å; A161-G173 VanDerWaalsContact O-N 3.07Å; A161-N344 VanDerWaalsContact CB-O 3.24Å; A161-N344 WeakPolarHBondContact CB-O 3.46Å; A161-Y346 VanDerWaalsContact CA-CE2 3.4Å; A161-Y346 HydrophobicContact CB-CD1 3.77Å; A161-Y346 HydrophobicContact CB-CD2 3.7Å; A161-Y346 HydrophobicContact CB-CE1 3.54Å; A161-Y346 HydrophobicContact CB-CE2 3.47Å; A161-Y346 VanDerWaalsContact CB-CE2 3.47Å; A161-Y346 HydrophobicContact CB-CG 3.85Å
162V93.8Very high95.8Very high14 Ų1423.8 Ų23.89%0.08515%0.153CC..  trans-120.4145.8178.3-68.80000111.5I160 E212 Y213 M428I160-V162 HydrophobicContact CG2-CG1 3.91Å; I160-V162 PolarHBondContact O-N 3.13Å; V162-E212 HydrophobicContact CG2-CB 4.15Å; V162-E212 HydrophobicContact CG2-CG 3.6Å; V162-E212 WeakPolarHBondContact CG2-OE2 3.45Å; V162-Y213 HydrophobicContact CB-CE1 4.33Å; V162-Y213 HydrophobicContact CG2-CD1 4.31Å; V162-Y213 HydrophobicContact CG2-CE1 4.29Å; V162-M428 HydrophobicContact CG1-SD 3.89Å
163Y93.9Very high95.8Very high23 Ų2320.2 Ų20.29%0.0914%0.14CC..  trans-134150-178.5-60-96.6000110.6A168 R169 F204 P214 V216 Y346Y163-A168 HydrophobicContact CD1-CB 3.6Å; Y163-A168 WeakPolarHBondContact CD2-O 3.25Å; Y163-A168 HydrophobicContact CE1-CB 4.08Å; Y163-A168 HydrophobicContact CG-CB 3.91Å; Y163-R169 PolarHBondContact O-NE 2.66Å; Y163-F204 HydrophobicContact CE1-CD2 4.49Å; Y163-F204 AromaticContact CE1-CE2 3.77Å; Y163-F204 HydrophobicContact CE1-CE2 3.77Å; Y163-P214 HydrophobicContact CD1-CG 3.71Å; Y163-P214 HydrophobicContact CE1-CG 3.74Å; Y163-V216 HydrophobicContact CD1-CG2 4.48Å; Y163-V216 HydrophobicContact CE1-CG2 4.24Å; Y163-Y346 VanDerWaalsContact CZ-OH 3.32Å; Y163-Y346 WeakPolarHBondContact OH-CE1 3.49Å; Y163-Y346 PolarHBondContact OH-OH 3.35Å
164A90.6Very high95.8Very high49 Ų4920.2 Ų20.241%0.40514%0.14SC..  trans-55.2159.1170.100000111.4G166 Y213A164-G166 PolarHBondContact O-N 3.17Å; A164-Y213 HydrophobicContact CB-CD2 3.76Å; A164-Y213 HydrophobicContact CB-CE2 4.18Å; A164-Y213 HydrophobicContact CB-CG 4.01Å; A164-Y213 VanDerWaalsContact N-CD1 3.33Å
165T88.9Confident95.8Very high112 Ų11220.1 Ų20.169%0.68714%0.14SC*.SBendtrans-54129.5174.7-52.70000109.9R169T165-R169 VanDerWaalsContact N-NH2 3.15Å; T165-R169 PolarHBondContact OG1-NH1 3.27Å; T165-R169 PolarHBondContact OG1-NH2 2.83Å
166G90.7Very high95.8Very high41 Ų4120.1 Ų20.142%0.42314%0.14SC..SBendtrans145-169.4-176.500000112.3A164 A168 R169A164-G166 PolarHBondContact O-N 3.17Å; G166-A168 PolarHBondContact O-N 3.03Å; G166-A168 VanDerWaalsContact O-N 3.13Å; G166-R169 WeakPolarHBondContact O-CB 3.06Å; G166-R169 PolarHBondContact O-N 3.45Å
167S88.6Confident95.8Very high99 Ų9920.2 Ų20.269%0.69214%0.14SC*.THydrogen-bonded Turntrans-65.9-16.3-171.351.10000115.4
168A92.2Very high95.8Very high30 Ų3020.2 Ų20.225%0.24814%0.14CC..THydrogen-bonded Turntrans-89.6-21.7177.900000113.1Y163 G166 P170 T171Y163-A168 HydrophobicContact CD1-CB 3.6Å; Y163-A168 WeakPolarHBondContact CD2-O 3.25Å; Y163-A168 HydrophobicContact CE1-CB 4.08Å; Y163-A168 HydrophobicContact CG-CB 3.91Å; G166-A168 PolarHBondContact O-N 3.03Å; G166-A168 VanDerWaalsContact O-N 3.13Å; A168-P170 VanDerWaalsContact C-CD 3.42Å; A168-P170 VanDerWaalsContact C-N 3.34Å; A168-T171 PolarHBondContact O-N 2.98Å; A168-T171 PolarHBondContact O-OG1 3.25Å
169R94.4Very high95.8Very high27 Ų2720.2 Ų20.210%0.10214%0.14CC..G310 helixtrans-51.9-42.6179.1179.8174.2-72.9-158.7-6.1114M56 Y163 T165 G166 T171 G172 F424M56-R169 WeakPolarHBondContact CE-O 3.25Å; Y163-R169 PolarHBondContact O-NE 2.66Å; T165-R169 VanDerWaalsContact N-NH2 3.15Å; T165-R169 PolarHBondContact OG1-NH1 3.27Å; T165-R169 PolarHBondContact OG1-NH2 2.83Å; G166-R169 WeakPolarHBondContact O-CB 3.06Å; G166-R169 PolarHBondContact O-N 3.45Å; R169-T171 PolarHBondContact O-N 2.93Å; R169-T171 VanDerWaalsContact O-N 3.11Å; R169-G172 PolarHBondContact O-N 3.37Å; R169-F424 HydrophobicContact CG-CE1 4.31Å; R169-F424 HydrophobicContact CG-CZ 4.39Å
170P97.1Very high95.8Very high0 Ų020.4 Ų20.40%014%0.141CC..G310 helixtrans-68.4-7.4178.3-18.332.1000114.5Q33 L36 Y47 L51 A168Q33-P170 PolarHBondContact NE2-O 2.88Å; L36-P170 HydrophobicContact CD2-CB 4.24Å; L36-P170 HydrophobicContact CD2-CG 4.37Å; Y47-P170 HydrophobicContact CD1-CB 4.03Å; Y47-P170 HydrophobicContact CD1-CG 4.02Å; Y47-P170 HydrophobicContact CD2-CB 3.91Å; Y47-P170 HydrophobicContact CD2-CG 4.02Å; Y47-P170 HydrophobicContact CE1-CB 4.13Å; Y47-P170 HydrophobicContact CE1-CG 3.59Å; Y47-P170 HydrophobicContact CE2-CB 4.01Å; Y47-P170 HydrophobicContact CE2-CG 3.58Å; Y47-P170 HydrophobicContact CG-CB 3.95Å; Y47-P170 HydrophobicContact CG-CG 4.24Å; L51-P170 HydrophobicContact CD1-CB 4.11Å; A168-P170 VanDerWaalsContact C-CD 3.42Å; A168-P170 VanDerWaalsContact C-N 3.34Å
171T97Very high95.8Very high15 Ų1520.2 Ų20.29%0.09214%0.14CC..G310 helixtrans-99.38.5176.665.20000113.4L51 A168 R169 Y267 N344L51-T171 HydrophobicContact CD1-CG2 3.83Å; L51-T171 HydrophobicContact CD2-CG2 4.3Å; A168-T171 PolarHBondContact O-N 2.98Å; A168-T171 PolarHBondContact O-OG1 3.25Å; R169-T171 PolarHBondContact O-N 2.93Å; R169-T171 VanDerWaalsContact O-N 3.11Å; T171-Y267 HydrophobicContact CG2-CD1 3.96Å; T171-Y267 HydrophobicContact CG2-CG 4.49Å; T171-N344 WeakPolarHBondContact O-CB 3.38Å
172G98Very high95.9Very high3 Ų320.1 Ų20.13%0.03114%0.139CC..  trans-67.5-174.1172.300000113.6M56 A161 R169 G343 N344M56-G172 WeakPolarHBondContact CG-O 3.48Å; M56-G172 VanDerWaalsContact SD-C 3.52Å; M56-G172 VanDerWaalsContact SD-CA 3.55Å; M56-G172 PolarHBondContact SD-N 3.21Å; M56-G172 VanDerWaalsContact SD-N 3.4Å; A161-G172 WeakPolarHBondContact O-CA 3.21Å; R169-G172 PolarHBondContact O-N 3.37Å; G172-G343 CarbonylContact O-C 3.51Å; G172-G343 WeakPolarHBondContact O-CA 3.48Å; G172-N344 CarbonylContact C-O 3.56Å; G172-N344 PolarHBondContact O-N 3.04Å
173G98.7Very high96.1Very high4 Ų420.8 Ų20.84%0.04114%0.144CC..EExtended strand (participates in β ladder)trans162.3174.1-179.500000111G57 A161 N344G57-G173 CarbonylContact O-C 3.35Å; G57-G173 VanDerWaalsContact O-CA 3.29Å; G57-G173 WeakPolarHBondContact O-CA 3.46Å; A161-G173 WeakPolarHBondContact CA-O 3.35Å; A161-G173 WeakPolarHBondContact CB-O 3.43Å; A161-G173 PolarHBondContact N-O 3.33Å; A161-G173 PolarHBondContact O-N 2.92Å; A161-G173 VanDerWaalsContact O-N 3.07Å; G173-N344 CarbonylContact C-O 3.49Å; G173-N344 VanDerWaalsContact C-O 3.3Å; G173-N344 WeakPolarHBondContact CA-O 3.42Å; G173-N344 PolarHBondContact N-O 3.25Å
174A98.9Very high96.3Very high0 Ų025 Ų250%017%0.168CC..EExtended strand (participates in β ladder)trans-155148.5174.800000111.3P27 G57 D159 I160 N342P27-A174 WeakPolarHBondContact CD-O 3.49Å; P27-A174 HydrophobicContact CG-CB 3.92Å; G57-A174 PolarHBondContact O-N 2.81Å; D159-A174 WeakPolarHBondContact O-CA 3.44Å; I160-A174 HydrophobicContact CG1-CB 4.34Å; I160-A174 HydrophobicContact CG2-CB 4.48Å; A174-N342 PolarHBondContact O-ND2 3.3Å
175G98.9Very high96.7Very high0 Ų022.9 Ų22.90%015%0.151CC..EExtended strand (participates in β ladder)trans168.7177.4174.300000113.2Y25 G158 D159 P348Y25-G175 CarbonylContact O-C 3.48Å; Y25-G175 WeakPolarHBondContact O-CA 3.38Å; G158-G175 WeakPolarHBondContact CA-O 3.44Å; D159-G175 PolarHBondContact N-O 3.15Å; D159-G175 PolarHBondContact O-N 2.9Å; D159-G175 VanDerWaalsContact O-N 3.14Å; G175-P348 WeakPolarHBondContact O-CG 3.48Å
176A98.9Very high97.1Very high0 Ų017.6 Ų17.60%012%0.118CC..EExtended strand (participates in β ladder)trans-143.2152.2173.700000111.1L24 Y25 L68 V72 A157L24-A176 CarbonylContact C-O 3.51Å; L24-A176 WeakPolarHBondContact CA-O 3.48Å; Y25-A176 PolarHBondContact N-O 3.32Å; Y25-A176 PolarHBondContact O-N 2.84Å; L68-A176 HydrophobicContact CB-CB 4.09Å; V72-A176 HydrophobicContact CB-CB 4.19Å; V72-A176 HydrophobicContact CG1-CB 3.69Å; A157-A176 CarbonylContact O-C 3.46Å; A157-A176 WeakPolarHBondContact O-CA 3.25Å; A157-A176 WeakPolarHBondContact O-CB 3.46Å
177V98.9Very high97.5Very high1 Ų115.8 Ų15.81%0.00610%0.099CC..EExtended strand (participates in β ladder)trans-130.3130174.4176.40000108.3M22 E23 L24 V156 A157 M179 P348M22-V177 HydrophobicContact CG-CG1 3.78Å; M22-V177 HydrophobicContact SD-CG1 4Å; E23-V177 CarbonylContact O-C 3.3Å; E23-V177 VanDerWaalsContact O-CA 3.26Å; E23-V177 WeakPolarHBondContact O-CA 3.49Å; E23-V177 WeakPolarHBondContact O-CG1 3.45Å; L24-V177 HydrophobicContact CB-CG2 4.19Å; V156-V177 CarbonylContact C-O 3.59Å; V156-V177 WeakPolarHBondContact CA-O 3.02Å; A157-V177 PolarHBondContact N-O 3.12Å; A157-V177 PolarHBondContact O-N 3.17Å; V177-M179 HydrophobicContact CG1-CG 4.02Å; V177-P348 HydrophobicContact CB-CB 4.19Å; V177-P348 HydrophobicContact CG2-CB 3.78Å
178A98.9Very high98Very high0 Ų011.5 Ų11.50%07%0.069CC..EExtended strand (participates in β ladder)trans-107137.9168.400000109.7M22 E23 V72 L76 L154 V155M22-A178 CarbonylContact C-O 3.58Å; M22-A178 WeakPolarHBondContact CA-O 3.3Å; E23-A178 PolarHBondContact N-O 3.25Å; E23-A178 PolarHBondContact O-N 2.92Å; V72-A178 HydrophobicContact CB-CB 4.46Å; V72-A178 HydrophobicContact CG1-CB 4.01Å; V72-A178 HydrophobicContact CG2-CB 3.9Å; L76-A178 HydrophobicContact CB-CB 4.31Å; L76-A178 HydrophobicContact CD1-CB 3.66Å; L76-A178 WeakPolarHBondContact CD1-O 3.5Å; L154-A178 HydrophobicContact CD1-CB 4.32Å; V155-A178 CarbonylContact O-C 3.33Å; V155-A178 VanDerWaalsContact O-CA 3.3Å; V155-A178 WeakPolarHBondContact O-CA 3.3Å
179M98.9Very high98.3Very high0 Ų011 Ų110%06%0.061CC..EExtended strand (participates in β ladder)trans-129.9125179.1-64.4172.8-74.300109.6I19 A21 M22 L136 V155 V177 I181 Y351I19-M179 HydrophobicContact CD1-SD 3.83Å; I19-M179 HydrophobicContact CG1-SD 4.39Å; I19-M179 HydrophobicContact CG2-CB 4.39Å; A21-M179 WeakPolarHBondContact O-CA 3.5Å; M22-M179 HydrophobicContact CG-CG 4.02Å; M22-M179 HydrophobicContact SD-CG 4.23Å; L136-M179 HydrophobicContact CD1-CE 4.48Å; L136-M179 HydrophobicContact CD2-CE 4.31Å; L136-M179 HydrophobicContact CD2-SD 4.41Å; V155-M179 HydrophobicContact CB-CB 4.46Å; V155-M179 HydrophobicContact CB-CE 4.29Å; V155-M179 HydrophobicContact CG1-CE 3.8Å; V155-M179 PolarHBondContact N-O 3.37Å; V155-M179 PolarHBondContact O-N 2.96Å; V177-M179 HydrophobicContact CG1-CG 4.02Å; M179-I181 HydrophobicContact CB-CD1 4.02Å; M179-Y351 HydrophobicContact CE-CD1 3.7Å; M179-Y351 HydrophobicContact CE-CD2 3.95Å; M179-Y351 HydrophobicContact CE-CE1 3.67Å; M179-Y351 HydrophobicContact CE-CE2 3.92Å; M179-Y351 HydrophobicContact CE-CG 3.82Å; M179-Y351 HydrophobicContact SD-CD1 3.44Å; M179-Y351 WeakPolarHBondContact SD-CD1 3.27Å; M179-Y351 HydrophobicContact SD-CE1 3.75Å; M179-Y351 HydrophobicContact SD-CG 3.93Å
180L98.9Very high98.5Very high4 Ų411.3 Ų11.32%0.0216%0.064CC..EExtended strand (participates in β ladder)trans-87.6124.5172.6-16775.8000109.4I20 A21 L76 L82 I87 Y152 L154I20-L180 HydrophobicContact CB-CD2 4.4Å; I20-L180 HydrophobicContact CG2-CD2 4.29Å; I20-L180 PolarHBondContact N-O 2.85Å; A21-L180 HydrophobicContact CB-CB 4.03Å; A21-L180 HydrophobicContact CB-CD2 4.49Å; A21-L180 PolarHBondContact O-N 2.95Å; L76-L180 HydrophobicContact CD2-CB 4.4Å; L82-L180 HydrophobicContact CD1-CD1 4.16Å; L82-L180 HydrophobicContact CD1-CD2 3.73Å; I87-L180 HydrophobicContact CD1-CD1 3.7Å; Y152-L180 HydrophobicContact CD1-CD2 4.33Å; Y152-L180 HydrophobicContact CD1-CG 4.34Å; Y152-L180 HydrophobicContact CD2-CD1 4.26Å; Y152-L180 HydrophobicContact CD2-CD2 4.11Å; Y152-L180 HydrophobicContact CD2-CG 4.45Å; Y152-L180 HydrophobicContact CE2-CD2 4.35Å; Y152-L180 HydrophobicContact CG-CD1 3.98Å; Y152-L180 HydrophobicContact CG-CD2 4.1Å; Y152-L180 HydrophobicContact CG-CG 4.04Å; L154-L180 HydrophobicContact CD1-CD1 4.42Å
181I98.9Very high98.5Very high0 Ų016.3 Ų16.30%08%0.083CC..EExtended strand (participates in β ladder)trans-114.2133.2-174.5-48.1-56.5000110.1V17 G18 I19 L136 A139 V140 V143 A153 V155 M179V17-I181 HydrophobicContact CG1-CG2 4.25Å; G18-I181 VanDerWaalsContact O-CA 3.31Å; G18-I181 WeakPolarHBondContact O-CA 3.21Å; I19-I181 HydrophobicContact CB-CD1 4.37Å; I19-I181 HydrophobicContact CG1-CD1 3.76Å; L136-I181 HydrophobicContact CD1-CD1 3.37Å; L136-I181 HydrophobicContact CD1-CG1 3.92Å; A139-I181 HydrophobicContact CB-CB 4.43Å; A139-I181 HydrophobicContact CB-CG1 4.19Å; A139-I181 HydrophobicContact CB-CG2 4.5Å; V140-I181 HydrophobicContact CG2-CG2 4.03Å; V143-I181 HydrophobicContact CG2-CG2 4.45Å; A153-I181 HydrophobicContact CB-CB 4.18Å; A153-I181 PolarHBondContact N-O 2.96Å; A153-I181 PolarHBondContact O-N 3.39Å; V155-I181 HydrophobicContact CG2-CG1 3.84Å; M179-I181 HydrophobicContact CB-CD1 4.02Å
182G98.8Very high98.5Very high0 Ų018.1 Ų18.10%010%0.104CC..EExtended strand (participates in β ladder)trans-174.2-176176.600000112.7V17 G18V17-G182 WeakPolarHBondContact CA-O 3.44Å; G18-G182 PolarHBondContact N-O 3.32Å; G18-G182 PolarHBondContact O-N 2.77Å; G18-G182 VanDerWaalsContact O-N 3.11Å
183P98.4Very high98.6Very high28 Ų2818 Ų1818%0.18210%0.103CC..SBendtrans-72.2162.3178.532.2-37.2000112.5P14 K15 W148 A185P14-P183 HydrophobicContact CB-CB 4Å; K15-P183 WeakPolarHBondContact O-CA 3.49Å; K15-P183 WeakPolarHBondContact O-CB 3.32Å; W148-P183 HydrophobicContact CH2-CG 3.94Å; W148-P183 HydrophobicContact CZ2-CG 4.15Å; P183-A185 PolarHBondContact O-N 3.24Å
184N97.8Very high98.6Very high112 Ų11220.3 Ų20.360%0.59911%0.111SC*.SBendtrans55.439.8177.3-42.9-63000112.5K15 D16K15-N184 PolarHBondContact O-N 3.07Å; D16-N184 PolarHBondContact O-N 2.8Å
185A98.5Very high98.6Very high5 Ų520.3 Ų20.34%0.04111%0.111CC..  trans-73.3152-174.800000112.7D16 G18 I20 P183 L187D16-A185 WeakPolarHBondContact O-CB 3.42Å; D16-A185 PolarHBondContact O-N 2.87Å; G18-A185 WeakPolarHBondContact O-CB 3.47Å; I20-A185 HydrophobicContact CG1-CB 4.07Å; P183-A185 PolarHBondContact O-N 3.24Å; A185-L187 VanDerWaalsContact C-N 3.25Å; A185-L187 PolarHBondContact O-N 3.4Å
186A98.3Very high98.6Very high0 Ų023 Ų230%013%0.127CC..SBendtrans-64.3-34.3171.600000111.7I19 V389 T390 A398 L399 L402I19-A186 PolarHBondContact O-N 3.15Å; A186-V389 WeakPolarHBondContact O-CA 3.48Å; A186-T390 HydrophobicContact CB-CG2 4.38Å; A186-T390 PolarHBondContact O-N 2.98Å; A186-A398 HydrophobicContact CB-CB 4.07Å; A186-L399 HydrophobicContact CB-CB 4.23Å; A186-L399 HydrophobicContact CB-CD1 4.37Å; A186-L402 HydrophobicContact CB-CD2 4.07Å
187L98.8Very high98.6Very high3 Ų324.8 Ų24.82%0.01614%0.135CC..EExtended strand (participates in β ladder)trans-118.789.5175.8-49177.8000109.3G18 I19 A185 L354 I358 L387 V389 L402G18-L187 CarbonylContact C-O 3.56Å; G18-L187 VanDerWaalsContact CA-O 3.29Å; G18-L187 WeakPolarHBondContact CA-O 3.24Å; I19-L187 HydrophobicContact CB-CB 4.22Å; I19-L187 HydrophobicContact CB-CD1 4.32Å; I19-L187 HydrophobicContact CD1-CD1 4.44Å; I19-L187 PolarHBondContact N-O 3.38Å; I19-L187 PolarHBondContact O-N 2.66Å; A185-L187 VanDerWaalsContact C-N 3.25Å; A185-L187 PolarHBondContact O-N 3.4Å; L187-L354 HydrophobicContact CD1-CD2 4.21Å; L187-I358 HydrophobicContact CD1-CD1 3.84Å; L187-L387 HydrophobicContact CB-CB 4.5Å; L187-L387 HydrophobicContact CB-CD1 4.13Å; L187-L387 HydrophobicContact CD1-CD1 4.48Å; L187-V389 HydrophobicContact CD2-CB 4.37Å; L187-V389 HydrophobicContact CD2-CG1 4.15Å; L187-V389 HydrophobicContact CD2-CG2 3.8Å; L187-L402 HydrophobicContact CD1-CD2 3.7Å; L187-L402 HydrophobicContact CD2-CD2 4.3Å; L187-L402 HydrophobicContact CG-CD2 3.71Å
188A98.8Very high98.6Very high9 Ų930.3 Ų30.37%0.07416%0.162CC..EExtended strand (participates in β ladder)trans-83.4143.2-17700000111.6D16 L387 R388D16-A188 HydrophobicContact CB-CB 3.86Å; A188-L387 CarbonylContact O-C 3.58Å; A188-L387 VanDerWaalsContact O-CA 3.23Å; A188-L387 WeakPolarHBondContact O-CA 3.41Å; A188-R388 PolarHBondContact N-O 3.43Å; A188-R388 PolarHBondContact O-N 2.8Å
189F98.8Very high98.5Very high19 Ų1935.2 Ų35.28%0.08319%0.185CC..EExtended strand (participates in β ladder)trans-70.2132.1172.9-80.4-98.1000111.2V17 L136 F137 V140 R191 Y385 L387V17-F189 WeakPolarHBondContact O-CD2 3.44Å; V17-F189 PolarHBondContact O-N 3.35Å; L136-F189 HydrophobicContact CD1-CE2 4.2Å; L136-F189 HydrophobicContact CD1-CZ 3.95Å; L136-F189 HydrophobicContact CD2-CZ 3.7Å; L136-F189 HydrophobicContact CG-CE2 4.38Å; L136-F189 HydrophobicContact CG-CZ 3.64Å; F137-F189 HydrophobicContact CD1-CE1 4.17Å; F137-F189 AromaticContact CE1-CE1 3.93Å; F137-F189 HydrophobicContact CE1-CE1 3.93Å; V140-F189 HydrophobicContact CG1-CD2 4.41Å; V140-F189 HydrophobicContact CG1-CG 4.44Å; V140-F189 HydrophobicContact CG2-CD2 3.56Å; V140-F189 HydrophobicContact CG2-CE1 4.4Å; V140-F189 HydrophobicContact CG2-CE2 3.36Å; V140-F189 HydrophobicContact CG2-CG 4.19Å; V140-F189 HydrophobicContact CG2-CZ 3.82Å; F189-R191 PolarHBondContact O-N 3.4Å; F189-R191 VanDerWaalsContact O-N 3.1Å; F189-Y385 HydrophobicContact CD1-CD2 4.08Å; F189-Y385 HydrophobicContact CD1-CE2 4.39Å; F189-Y385 AromaticContact CE1-CD2 3.63Å; F189-Y385 HydrophobicContact CE1-CD2 3.63Å; F189-Y385 AromaticContact CE1-CE2 3.54Å; F189-Y385 HydrophobicContact CE1-CE2 3.54Å; F189-Y385 HydrophobicContact CZ-CE2 4.11Å; F189-L387 HydrophobicContact CB-CD2 4.49Å; F189-L387 HydrophobicContact CD1-CD2 3.87Å; F189-L387 HydrophobicContact CD2-CD2 3.75Å; F189-L387 HydrophobicContact CE1-CD2 3.88Å; F189-L387 HydrophobicContact CE2-CD2 3.76Å; F189-L387 HydrophobicContact CG-CD2 3.8Å; F189-L387 HydrophobicContact CZ-CD2 3.82Å
190E98.4Very high98.5Very high34 Ų3442 Ų4216%0.15922%0.217CC..EExtended strand (participates in β ladder)trans-74.8104.8166.7-68-172.7117.800109.3G192 L193 R370 S386 R388E190-G192 PolarHBondContact O-N 2.86Å; E190-L193 HydrophobicContact CB-CB 4.33Å; E190-L193 HydrophobicContact CB-CD1 3.79Å; E190-L193 HydrophobicContact CB-CG 4.26Å; E190-L193 WeakPolarHBondContact O-CB 3.46Å; E190-L193 PolarHBondContact O-N 3.05Å; E190-R370 VanDerWaalsContact CD-NE 3.3Å; E190-R370 IonicContact OE1-CZ 2.75Å; E190-R370 IonicContact OE1-NE 3.68Å; E190-R370 PolarHBondContact OE1-NE 3.16Å; E190-R370 IonicContact OE1-NH2 3.82Å; E190-R370 PolarHBondContact OE1-NH2 2.92Å; E190-R370 WeakPolarHBondContact OE2-CD 3.41Å; E190-R370 WeakPolarHBondContact OE2-CG 3.13Å; E190-R370 IonicContact OE2-CZ 2.78Å; E190-R370 IonicContact OE2-NE 3.37Å; E190-R370 PolarHBondContact OE2-NE 3.03Å; E190-R370 IonicContact OE2-NH2 3.75Å; E190-S386 WeakPolarHBondContact CB-OG 3.17Å; E190-S386 PolarHBondContact N-O 2.93Å; E190-S386 VanDerWaalsContact N-O 3.14Å; E190-S386 WeakPolarHBondContact OE2-CB 3.36Å; E190-S386 PolarHBondContact OE2-OG 2.79Å; E190-R388 HydrophobicContact CG-CB 3.96Å; E190-R388 IonicContact OE1-CZ 3.97Å; E190-R388 IonicContact OE1-NE 2.96Å; E190-R388 IonicContact OE1-NH2 2.64Å; E190-R388 PolarHBondContact OE1-NH2 2.71Å
191R97.3Very high98.5Very high106 Ų10642.6 Ų42.640%0.422%0.222SC..EExtended strand (participates in β ladder)trans-56.6135.5-172.4-73.1177.8165.3156.42.5112.5P14 E144 F189 L193 Q243P14-R191 PolarHBondContact O-NH2 3.26Å; E144-R191 IonicContact OE1-CZ 3.25Å; E144-R191 VanDerWaalsContact OE1-CZ 3.25Å; E144-R191 IonicContact OE1-NE 2.82Å; E144-R191 PolarHBondContact OE1-NE 2.98Å; E144-R191 IonicContact OE1-NH2 2.76Å; E144-R191 PolarHBondContact OE1-NH2 3.44Å; F189-R191 PolarHBondContact O-N 3.4Å; F189-R191 VanDerWaalsContact O-N 3.1Å; R191-L193 PolarHBondContact O-N 2.88Å; R191-Q243 PolarHBondContact O-NE2 3.11Å
192G97.4Very high98.5Very high52 Ų5249 Ų4954%0.53625%0.247SC..EExtended strand (participates in β ladder)trans77.1-7.4178.700000115E190 R194 K239E190-G192 PolarHBondContact O-N 2.86Å; G192-R194 PolarHBondContact O-N 2.84Å; G192-K239 WeakPolarHBondContact O-CD 3.34Å
193L98.6Very high98.4Very high1 Ų149 Ų491%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-94.259.4-177.3-60.2-171.2000113.1E190 R191 Y236 K239 I240 Q243 Y385E190-L193 HydrophobicContact CB-CB 4.33Å; E190-L193 HydrophobicContact CB-CD1 3.79Å; E190-L193 HydrophobicContact CB-CG 4.26Å; E190-L193 WeakPolarHBondContact O-CB 3.46Å; E190-L193 PolarHBondContact O-N 3.05Å; R191-L193 PolarHBondContact O-N 2.88Å; L193-Y236 HydrophobicContact CB-CD2 4.26Å; L193-Y236 HydrophobicContact CB-CE2 3.72Å; L193-Y236 HydrophobicContact CD1-CE2 4.45Å; L193-Y236 WeakPolarHBondContact O-CE2 3.47Å; L193-K239 HydrophobicContact CD2-CB 3.96Å; L193-I240 HydrophobicContact CD1-CB 4.11Å; L193-I240 HydrophobicContact CD1-CD1 3.74Å; L193-I240 HydrophobicContact CD1-CG1 3.82Å; L193-I240 HydrophobicContact CD2-CB 3.69Å; L193-I240 HydrophobicContact CD2-CG1 4.16Å; L193-Q243 HydrophobicContact CD2-CG 4.46Å; L193-Q243 VanDerWaalsContact CD2-OE1 3.3Å; L193-Y385 WeakPolarHBondContact O-CA 3.31Å
194R98.8Very high98.4Very high53 Ų5348.6 Ų48.620%0.224%0.243CC..EExtended strand (participates in β ladder)trans-112.2106171.6-63.9-179.2-175.3159.92.4110.4F137 N141 G192 K239 T383F137-R194 HydrophobicContact CE1-CG 4.39Å; F137-R194 HydrophobicContact CZ-CG 4.15Å; N141-R194 PolarHBondContact OD1-NH1 3.07Å; N141-R194 PolarHBondContact OD1-NH2 3.39Å; G192-R194 PolarHBondContact O-N 2.84Å; R194-K239 WeakPolarHBondContact O-CD 3.34Å; R194-K239 WeakPolarHBondContact O-CE 3.47Å; R194-K239 PolarHBondContact O-NZ 3.25Å; R194-T383 HydrophobicContact CB-CG2 4.09Å
195G98.9Very high98.4Very high0 Ų047.2 Ų47.20%023%0.229CC..EExtended strand (participates in β ladder)trans-89.295.5172.100000110.9C232 T383 L384G195-C232 WeakPolarHBondContact O-CA 3.32Å; G195-C232 WeakPolarHBondContact O-CB 3.35Å; G195-C232 PolarHBondContact O-SG 3.1Å; G195-T383 CarbonylContact O-C 3.54Å; G195-T383 VanDerWaalsContact O-CA 3.3Å; G195-T383 WeakPolarHBondContact O-CA 3.24Å; G195-L384 PolarHBondContact N-O 3.46Å; G195-L384 PolarHBondContact O-N 3.19Å
196T98.9Very high98.4Very high56 Ų5649.8 Ų49.834%0.34424%0.24SC..EExtended strand (participates in β ladder)trans-103.2141.5-173.9-60.40000111.7M198 A382 T383T196-M198 HydrophobicContact CG2-CE 4.11Å; T196-M198 HydrophobicContact CG2-CG 4.28Å; T196-A382 WeakPolarHBondContact CA-O 3.41Å; T196-T383 WeakPolarHBondContact OG1-CG2 3.39Å; T196-T383 PolarHBondContact OG1-OG1 2.95Å
197H98.9Very high98.3Very high38 Ų3853 Ų5318%0.17626%0.261CS..EExtended strand (participates in β ladder)trans-135.7134.1168.7-171.735.9000109.8Q199 R231 F380 A382H197-Q199 PolarHBondContact NE2-OE1 3.23Å; H197-Q199 VanDerWaalsContact NE2-OE1 3.17Å; H197-R231 HydrophobicContact CB-CB 4Å; H197-R231 HydrophobicContact CB-CG 3.7Å; H197-R231 VanDerWaalsContact CG-CG 3.44Å; H197-F380 AromaticContact CD2-CE2 3.36Å; H197-F380 WeakPolarHBondContact CD2-CE2 3.47Å; H197-F380 AromaticContact CD2-CZ 3.43Å; H197-F380 VanDerWaalsContact CD2-CZ 3.43Å; H197-F380 WeakPolarHBondContact CD2-CZ 3.21Å; H197-F380 AromaticContact NE2-CE2 3.84Å; H197-F380 AromaticContact NE2-CZ 3.52Å; H197-A382 PolarHBondContact N-O 2.89Å; H197-A382 PolarHBondContact O-N 3.16Å
198M98.8Very high98.2Very high116 Ų11656.9 Ų56.957%0.57128%0.282SS*.EExtended strand (participates in β ladder)trans-135.3138.7174.6-62.3-176.2179.500108Y130 T196 F380 A381Y130-M198 HydrophobicContact CE1-CE 4.41Å; T196-M198 HydrophobicContact CG2-CE 4.11Å; T196-M198 HydrophobicContact CG2-CG 4.28Å; M198-F380 WeakPolarHBondContact CA-O 3.34Å; M198-A381 HydrophobicContact CE-CB 4.24Å; M198-A381 HydrophobicContact CG-CB 3.99Å; M198-A381 HydrophobicContact SD-CB 4.46Å
199Q98.6Very high97.8Very high103 Ų10362.8 Ų62.848%0.48131%0.309SS..  trans-154.6142.5-176.9-179.2175.5-34.400109.3H197 A201 G379 F380H197-Q199 PolarHBondContact NE2-OE1 3.23Å; H197-Q199 VanDerWaalsContact NE2-OE1 3.17Å; Q199-A201 PolarHBondContact O-N 2.98Å; Q199-G379 CarbonylContact O-C 3.57Å; Q199-G379 VanDerWaalsContact O-C 3.27Å; Q199-F380 HydrophobicContact CB-CD1 4.29Å; Q199-F380 HydrophobicContact CB-CE1 3.73Å; Q199-F380 HydrophobicContact CB-CE2 4.08Å; Q199-F380 HydrophobicContact CB-CZ 3.61Å; Q199-F380 HydrophobicContact CG-CE1 4.25Å; Q199-F380 HydrophobicContact CG-CZ 4.43Å; Q199-F380 PolarHBondContact N-O 3.42Å; Q199-F380 PolarHBondContact O-N 3.21Å
200H98.7Very high97.4Very high143 Ų14366.9 Ų66.966%0.66234%0.336SS*.  trans-69.3122.3171.917843.4000110.8Y202 G379H200-Y202 AromaticContact CE1-CD2 3.91Å; H200-Y202 AromaticContact CE1-CE2 3.28Å; H200-Y202 WeakPolarHBondContact CE1-CE2 3.36Å; H200-Y202 AromaticContact CE1-CZ 3.62Å; H200-Y202 AromaticContact NE2-CE2 3.43Å; H200-Y202 WeakPolarHBondContact NE2-CE2 3.26Å; H200-G379 CarbonylContact C-O 3.59Å; H200-G379 WeakPolarHBondContact CA-O 3.45Å
201A98.3Very high97.1Very high16 Ų1666.8 Ų66.813%0.13234%0.338CS..  trans-148.3156.317800000111.2Q199 G379 F380Q199-A201 PolarHBondContact O-N 2.98Å; A201-G379 PolarHBondContact N-O 2.78Å; A201-G379 CarbonylContact O-C 3.49Å; A201-G379 WeakPolarHBondContact O-CA 3.48Å; A201-F380 HydrophobicContact CB-CD1 3.88Å
202Y98.3Very high96.8Very high136 Ų13662.9 Ų62.953%0.53333%0.325SS..  trans-11846.1174.8-77.1-72.3000110.8H200 Y205H200-Y202 AromaticContact CE1-CD2 3.91Å; H200-Y202 AromaticContact CE1-CE2 3.28Å; H200-Y202 WeakPolarHBondContact CE1-CE2 3.36Å; H200-Y202 AromaticContact CE1-CZ 3.62Å; H200-Y202 AromaticContact NE2-CE2 3.43Å; H200-Y202 WeakPolarHBondContact NE2-CE2 3.26Å; Y202-Y205 AromaticContact CD1-CD1 3.78Å; Y202-Y205 HydrophobicContact CD1-CD1 3.78Å; Y202-Y205 AromaticContact CD1-CD2 3.99Å; Y202-Y205 HydrophobicContact CD1-CD2 3.99Å; Y202-Y205 AromaticContact CD1-CE1 3.74Å; Y202-Y205 HydrophobicContact CD1-CE1 3.74Å; Y202-Y205 AromaticContact CD1-CE2 3.93Å; Y202-Y205 HydrophobicContact CD1-CE2 3.93Å; Y202-Y205 AromaticContact CD1-CG 3.94Å; Y202-Y205 HydrophobicContact CD1-CG 3.94Å; Y202-Y205 AromaticContact CD1-CZ 3.82Å; Y202-Y205 HydrophobicContact CE1-CD2 4.3Å; Y202-Y205 HydrophobicContact CE1-CE2 4.29Å; Y202-Y205 HydrophobicContact CG-CD1 4.48Å; Y202-Y205 HydrophobicContact CG-CE1 4.24Å
203D98Very high96.6Very high0 Ų062 Ų620%031%0.305CS..SBendtrans-78.4-39.9-177.966.6-54000112.8D217 L220 C224 Y376 S378 G379D203-D217 PolarHBondContact O-N 3.44Å; D203-L220 HydrophobicContact CB-CB 4.34Å; D203-L220 HydrophobicContact CB-CD2 4.2Å; D203-L220 HydrophobicContact CB-CG 3.86Å; D203-C224 HydrophobicContact CB-CB 4.12Å; D203-Y376 PolarHBondContact OD2-OH 2.78Å; D203-S378 WeakPolarHBondContact OD1-CB 3.35Å; D203-S378 WeakPolarHBondContact OD2-CB 3.46Å; D203-S378 PolarHBondContact OD2-OG 2.81Å; D203-G379 PolarHBondContact OD1-N 3.14Å
204F98.2Very high96.4Very high18 Ų1862.8 Ų62.88%0.07931%0.311CS..EExtended strand (participates in β ladder)trans-151.8132170.2165.7-68.1000108.5Y163 P214 V215 V216 Y346 S378Y163-F204 HydrophobicContact CE1-CD2 4.49Å; Y163-F204 AromaticContact CE1-CE2 3.77Å; Y163-F204 HydrophobicContact CE1-CE2 3.77Å; F204-P214 HydrophobicContact CD1-CB 4.39Å; F204-P214 HydrophobicContact CD2-CB 3.88Å; F204-P214 HydrophobicContact CD2-CG 4.02Å; F204-P214 HydrophobicContact CE1-CB 3.91Å; F204-P214 HydrophobicContact CE2-CB 3.36Å; F204-P214 HydrophobicContact CE2-CG 3.22Å; F204-P214 HydrophobicContact CG-CB 4.36Å; F204-P214 HydrophobicContact CZ-CB 3.35Å; F204-P214 HydrophobicContact CZ-CG 3.52Å; F204-V215 WeakPolarHBondContact CA-O 3.21Å; F204-V216 HydrophobicContact CB-CG1 4.43Å; F204-V216 HydrophobicContact CD2-CB 4.28Å; F204-V216 HydrophobicContact CD2-CG1 4.07Å; F204-V216 HydrophobicContact CD2-CG2 3.39Å; F204-V216 HydrophobicContact CE2-CG2 3.87Å; F204-V216 HydrophobicContact CG-CG2 4.28Å; F204-Y346 HydrophobicContact CZ-CE1 4.27Å; F204-Y346 AromaticContact CZ-CZ 3.89Å; F204-Y346 WeakPolarHBondContact CZ-OH 3.22Å; F204-S378 WeakPolarHBondContact O-CB 3.01Å
205Y98.1Very high96.3Very high83 Ų8363.4 Ų63.433%0.32532%0.321SS..EExtended strand (participates in β ladder)trans-159.6158.3-178.857.8-73.1000111.2Y202 P207 V215Y202-Y205 AromaticContact CD1-CD1 3.78Å; Y202-Y205 HydrophobicContact CD1-CD1 3.78Å; Y202-Y205 AromaticContact CD1-CD2 3.99Å; Y202-Y205 HydrophobicContact CD1-CD2 3.99Å; Y202-Y205 AromaticContact CD1-CE1 3.74Å; Y202-Y205 HydrophobicContact CD1-CE1 3.74Å; Y202-Y205 AromaticContact CD1-CE2 3.93Å; Y202-Y205 HydrophobicContact CD1-CE2 3.93Å; Y202-Y205 AromaticContact CD1-CG 3.94Å; Y202-Y205 HydrophobicContact CD1-CG 3.94Å; Y202-Y205 AromaticContact CD1-CZ 3.82Å; Y202-Y205 HydrophobicContact CE1-CD2 4.3Å; Y202-Y205 HydrophobicContact CE1-CE2 4.29Å; Y202-Y205 HydrophobicContact CG-CD1 4.48Å; Y202-Y205 HydrophobicContact CG-CE1 4.24Å; Y205-P207 VanDerWaalsContact C-CD 3.48Å; Y205-P207 HydrophobicContact CD2-CB 3.88Å; Y205-P207 VanDerWaalsContact CD2-CD 3.49Å; Y205-P207 HydrophobicContact CD2-CG 3.66Å; Y205-P207 HydrophobicContact CE2-CB 3.95Å; Y205-P207 HydrophobicContact CE2-CG 3.57Å; Y205-P207 WeakPolarHBondContact O-CD 3.17Å; Y205-V215 HydrophobicContact CD1-CB 4.44Å; Y205-V215 HydrophobicContact CE1-CB 4.08Å; Y205-V215 HydrophobicContact CE1-CG1 3.81Å; Y205-V215 HydrophobicContact CE2-CB 4.24Å; Y205-V215 HydrophobicContact CE2-CG1 4.43Å; Y205-V215 PolarHBondContact N-O 3.44Å; Y205-V215 PolarHBondContact O-N 2.98Å
206K97.6Very high96.1Very high59 Ų5966 Ų6626%0.25734%0.336SS..  trans-114.577.7179.6-64.9177.6-173.1166.90110.3E95 P214E95-K206 PolarHBondContact O-NZ 3.11Å; E95-K206 WeakPolarHBondContact OE2-CE 3.33Å; E95-K206 IonicContact OE2-NZ 3.96Å; E95-K206 PolarHBondContact OE2-NZ 3.33Å; K206-P214 HydrophobicContact CG-CB 3.91Å
207P97.1Very high95.9Very high69 Ų6967.1 Ų67.145%0.44834%0.34SS..  trans-80.5-25.2-177.734.4-35.8000112.6Y205 M209 V215Y205-P207 VanDerWaalsContact C-CD 3.48Å; Y205-P207 HydrophobicContact CD2-CB 3.88Å; Y205-P207 VanDerWaalsContact CD2-CD 3.49Å; Y205-P207 HydrophobicContact CD2-CG 3.66Å; Y205-P207 HydrophobicContact CE2-CB 3.95Å; Y205-P207 HydrophobicContact CE2-CG 3.57Å; Y205-P207 WeakPolarHBondContact O-CD 3.17Å; P207-M209 PolarHBondContact O-N 3.39Å; P207-V215 HydrophobicContact CG-CB 4.4Å; P207-V215 HydrophobicContact CG-CG2 3.67Å
208D94.9Very high95.7Very high84 Ų8467.3 Ų67.345%0.44935%0.353SS..  trans-86.5107.4-179-174.9-1.4000110V210 S211D208-V210 PolarHBondContact O-N 2.84Å; D208-V210 WeakPolarHBondContact OD1-CB 3.5Å; D208-V210 PolarHBondContact OD1-N 3.01Å; D208-S211 PolarHBondContact O-N 3Å
209M91.7Very high95.5Very high133 Ų13368.4 Ų68.466%0.65535%0.354SS*.THydrogen-bonded Turntrans-75.3-7.7-179.7-60.3-71.116900113P207 H436P207-M209 PolarHBondContact O-N 3.39Å; M209-H436 PolarHBondContact O-CE1 3.07Å
210V90.8Very high95.5Very high105 Ų10566 Ų6664%0.63634%0.344SS*.THydrogen-bonded Turntrans-96.2-9.2177.4-170.70000111.1D208 H436D208-V210 PolarHBondContact O-N 2.84Å; D208-V210 WeakPolarHBondContact OD1-CB 3.5Å; D208-V210 PolarHBondContact OD1-N 3.01Å; V210-H436 VanDerWaalsContact CA-NE2 3.28Å; V210-H436 WeakPolarHBondContact CA-NE2 3.2Å; V210-H436 PolarHBondContact O-CD2 2.93Å; V210-H436 PolarHBondContact O-NE2 3.02Å
211S90.4Very high95.4Very high31 Ų3160.5 Ų60.522%0.21732%0.322CS..  trans-121141.6179.2-174.70000110.7D208 Y213D208-S211 PolarHBondContact O-N 3Å; S211-Y213 WeakPolarHBondContact OG-CB 3.24Å; S211-Y213 PolarHBondContact OG-N 2.92Å; S211-Y213 VanDerWaalsContact OG-N 3.09Å
212E91.3Very high95.4Very high25 Ų2560.7 Ų60.712%0.11732%0.321CS..SBendtrans-75.5-19.6168.5-163.7172.1-164.500111.5V162 R431V162-E212 HydrophobicContact CG2-CB 4.15Å; V162-E212 HydrophobicContact CG2-CG 3.6Å; V162-E212 WeakPolarHBondContact CG2-OE2 3.45Å; E212-R431 IonicContact OE1-CZ 3.2Å; E212-R431 IonicContact OE1-NE 3.12Å; E212-R431 PolarHBondContact OE1-NE 2.64Å; E212-R431 IonicContact OE1-NH2 3.15Å; E212-R431 PolarHBondContact OE1-NH2 3.13Å; E212-R431 IonicContact OE2-CZ 3.56Å; E212-R431 IonicContact OE2-NE 2.65Å; E212-R431 PolarHBondContact OE2-NE 3.42Å; E212-R431 IonicContact OE2-NH2 2.67Å; E212-R431 PolarHBondContact OE2-NH2 3.22Å
213Y93.8Very high95.4Very high32 Ų3257.7 Ų57.713%0.12531%0.312CS..SBendtrans-77.3136.1-174.4-52.5-42.7000112V162 A164 S211 E432V162-Y213 HydrophobicContact CB-CE1 4.33Å; V162-Y213 HydrophobicContact CG2-CD1 4.31Å; V162-Y213 HydrophobicContact CG2-CE1 4.29Å; A164-Y213 HydrophobicContact CB-CD2 3.76Å; A164-Y213 HydrophobicContact CB-CE2 4.18Å; A164-Y213 HydrophobicContact CB-CG 4.01Å; A164-Y213 VanDerWaalsContact N-CD1 3.33Å; S211-Y213 WeakPolarHBondContact OG-CB 3.24Å; S211-Y213 PolarHBondContact OG-N 2.92Å; S211-Y213 VanDerWaalsContact OG-N 3.09Å; Y213-E432 HydrophobicContact CE2-CG 4.32Å; Y213-E432 WeakPolarHBondContact CE2-OE2 3.4Å; Y213-E432 PolarHBondContact OH-OE2 3.25Å
214P95.3Very high95.5Very high19 Ų1958.1 Ų58.112%0.12332%0.315CS..PPolyproline II helixtrans-78.5156.1176.832-34.1000112.3Y163 F204 K206 V216Y163-P214 HydrophobicContact CD1-CG 3.71Å; Y163-P214 HydrophobicContact CE1-CG 3.74Å; F204-P214 HydrophobicContact CD1-CB 4.39Å; F204-P214 HydrophobicContact CD2-CB 3.88Å; F204-P214 HydrophobicContact CD2-CG 4.02Å; F204-P214 HydrophobicContact CE1-CB 3.91Å; F204-P214 HydrophobicContact CE2-CB 3.36Å; F204-P214 HydrophobicContact CE2-CG 3.22Å; F204-P214 HydrophobicContact CG-CB 4.36Å; F204-P214 HydrophobicContact CZ-CB 3.35Å; F204-P214 HydrophobicContact CZ-CG 3.52Å; K206-P214 HydrophobicContact CG-CB 3.91Å; P214-V216 HydrophobicContact CB-CG2 3.86Å; P214-V216 HydrophobicContact CG-CG2 3.65Å
215V96Very high95.5Very high66 Ų6657.4 Ų57.440%0.431%0.312SS..EExtended strand (participates in β ladder)trans-82.8126.6157.41790000107.6F204 Y205 P207F204-V215 WeakPolarHBondContact CA-O 3.21Å; Y205-V215 HydrophobicContact CD1-CB 4.44Å; Y205-V215 HydrophobicContact CE1-CB 4.08Å; Y205-V215 HydrophobicContact CE1-CG1 3.81Å; Y205-V215 HydrophobicContact CE2-CB 4.24Å; Y205-V215 HydrophobicContact CE2-CG1 4.43Å; Y205-V215 PolarHBondContact N-O 3.44Å; Y205-V215 PolarHBondContact O-N 2.98Å; P207-V215 HydrophobicContact CG-CB 4.4Å; P207-V215 HydrophobicContact CG-CG2 3.67Å
216V94.4Very high95.5Very high55 Ų5553.9 Ų53.933%0.33330%0.299SS..EExtended strand (participates in β ladder)trans-133.4122.1-173.9-168.80000110.6Y163 F204 P214Y163-V216 HydrophobicContact CD1-CG2 4.48Å; Y163-V216 HydrophobicContact CE1-CG2 4.24Å; F204-V216 HydrophobicContact CB-CG1 4.43Å; F204-V216 HydrophobicContact CD2-CB 4.28Å; F204-V216 HydrophobicContact CD2-CG1 4.07Å; F204-V216 HydrophobicContact CD2-CG2 3.39Å; F204-V216 HydrophobicContact CE2-CG2 3.87Å; F204-V216 HydrophobicContact CG-CG2 4.28Å; P214-V216 HydrophobicContact CB-CG2 3.86Å; P214-V216 HydrophobicContact CG-CG2 3.65Å
217D95.7Very high95.6Very high78 Ų7852.2 Ų52.242%0.41730%0.295SS..  trans-93.795.9160.7-176.2-27.9000107.9D203 K219 L220 S221D203-D217 PolarHBondContact O-N 3.44Å; D217-K219 VanDerWaalsContact C-N 3.26Å; D217-K219 PolarHBondContact O-N 2.87Å; D217-K219 PolarHBondContact OD1-N 2.72Å; D217-L220 HydrophobicContact CB-CB 3.8Å; D217-L220 VanDerWaalsContact CG-CB 3.41Å; D217-L220 PolarHBondContact O-N 2.97Å; D217-L220 PolarHBondContact OD1-N 2.89Å; D217-S221 WeakPolarHBondContact O-CB 3.29Å; D217-S221 PolarHBondContact O-N 3Å
218G93.6Very high95.7Very high43 Ų4349 Ų4944%0.44327%0.273SS..Hα-helixtrans-58.4-35.9-173.800000113.4S221G218-S221 PolarHBondContact O-OG 3.02Å
219K95.6Very high95.9Very high139 Ų13945 Ų4560%0.60425%0.252SS*.Hα-helixtrans-71.6-50.6177.8-174.7-176.3175.3-169.40109.7D217 S221 V222 E223 F312D217-K219 VanDerWaalsContact C-N 3.26Å; D217-K219 PolarHBondContact O-N 2.87Å; D217-K219 PolarHBondContact OD1-N 2.72Å; K219-S221 VanDerWaalsContact C-N 3.25Å; K219-S221 PolarHBondContact O-N 3.18Å; K219-V222 PolarHBondContact O-N 2.95Å; K219-E223 PolarHBondContact O-N 2.85Å; K219-F312 HydrophobicContact CG-CE1 3.97Å; K219-F312 HydrophobicContact CG-CE2 3.94Å; K219-F312 HydrophobicContact CG-CZ 3.56Å; K219-F312 VanDerWaalsContact O-CZ 3.28Å; K219-F312 WeakPolarHBondContact O-CZ 3.43Å
220L97.6Very high96.2Very high51 Ų5139.3 Ų39.327%0.26722%0.224SC..Hα-helixtrans-60.1-36.1179.6-174.760.5000112D203 D217 V222 E223 C224D203-L220 HydrophobicContact CB-CB 4.34Å; D203-L220 HydrophobicContact CB-CD2 4.2Å; D203-L220 HydrophobicContact CB-CG 3.86Å; D217-L220 HydrophobicContact CB-CB 3.8Å; D217-L220 VanDerWaalsContact CG-CB 3.41Å; D217-L220 PolarHBondContact O-N 2.97Å; D217-L220 PolarHBondContact OD1-N 2.89Å; L220-V222 VanDerWaalsContact C-N 3.35Å; L220-V222 PolarHBondContact O-N 3.04Å; L220-E223 WeakPolarHBondContact O-CB 3.28Å; L220-E223 PolarHBondContact O-N 3.34Å; L220-C224 WeakPolarHBondContact O-CB 3.32Å; L220-C224 PolarHBondContact O-N 3.03Å; L220-C224 PolarHBondContact O-SG 3.36Å
221S97.4Very high96.6Very high28 Ų2840.6 Ų40.620%0.19622%0.218CC..Hα-helixtrans-60.9-39177.474.20000113.7D217 G218 K219 Y225D217-S221 WeakPolarHBondContact O-CB 3.29Å; D217-S221 PolarHBondContact O-N 3Å; G218-S221 PolarHBondContact O-OG 3.02Å; K219-S221 VanDerWaalsContact C-N 3.25Å; K219-S221 PolarHBondContact O-N 3.18Å; S221-Y225 VanDerWaalsContact O-CB 3.25Å; S221-Y225 WeakPolarHBondContact O-CB 3.41Å; S221-Y225 PolarHBondContact O-N 2.81Å
222V98Very high97Very high20 Ų2039.1 Ų39.112%0.12121%0.208CC..Hα-helixtrans-70-39.6175.6175.10000110.7K219 L220 Y225 L226 L270 F312K219-V222 PolarHBondContact O-N 2.95Å; L220-V222 VanDerWaalsContact C-N 3.35Å; L220-V222 PolarHBondContact O-N 3.04Å; V222-Y225 PolarHBondContact O-N 2.88Å; V222-L226 HydrophobicContact CG1-CD1 4Å; V222-L226 HydrophobicContact CG1-CG 4.46Å; V222-L226 WeakPolarHBondContact O-CG 3.41Å; V222-L226 PolarHBondContact O-N 2.69Å; V222-L270 HydrophobicContact CG1-CD1 4.17Å; V222-F312 HydrophobicContact CB-CE1 4.08Å; V222-F312 HydrophobicContact CB-CZ 4.3Å; V222-F312 HydrophobicContact CG1-CE1 3.92Å; V222-F312 HydrophobicContact CG1-CZ 4.4Å
223E98.4Very high97.3Very high73 Ų7338 Ų3834%0.34120%0.202SC..Hα-helixtrans-63.8-48.2176.6-169.1177.6152.200112K219 L220 Y225 L226 S227 Y311 F312K219-E223 PolarHBondContact O-N 2.85Å; L220-E223 WeakPolarHBondContact O-CB 3.28Å; L220-E223 PolarHBondContact O-N 3.34Å; E223-Y225 PolarHBondContact O-N 2.67Å; E223-L226 PolarHBondContact O-N 3.15Å; E223-S227 VanDerWaalsContact O-CB 3.26Å; E223-S227 WeakPolarHBondContact O-CB 3.44Å; E223-S227 PolarHBondContact O-N 3.36Å; E223-S227 PolarHBondContact O-OG 3.37Å; E223-Y311 HydrophobicContact CG-CD2 3.6Å; E223-Y311 HydrophobicContact CG-CE2 4.04Å; E223-Y311 HydrophobicContact CG-CG 4.1Å; E223-F312 HydrophobicContact CB-CE2 3.91Å; E223-F312 HydrophobicContact CB-CZ 3.92Å; E223-F312 HydrophobicContact CG-CE2 4.27Å
224C98.8Very high97.6Very high9 Ų937.6 Ų37.66%0.06120%0.204CC..Hα-helixtrans-62.5-42176.8-71.40000111.6D203 L220 S227 A228 Y376 F380D203-C224 HydrophobicContact CB-CB 4.12Å; L220-C224 WeakPolarHBondContact O-CB 3.32Å; L220-C224 PolarHBondContact O-N 3.03Å; L220-C224 PolarHBondContact O-SG 3.36Å; C224-S227 WeakPolarHBondContact CA-OG 3.2Å; C224-S227 PolarHBondContact O-OG 2.73Å; C224-A228 WeakPolarHBondContact O-CB 3.29Å; C224-A228 PolarHBondContact O-N 2.81Å; C224-Y376 WeakPolarHBondContact CB-OH 3.34Å; C224-F380 HydrophobicContact CB-CD1 3.81Å; C224-F380 HydrophobicContact CB-CE1 4.05Å
225Y98.9Very high97.7Very high3 Ų338 Ų381%0.01221%0.206CC..Hα-helixtrans-59.9-50.4175.6-176.5-75.2000112.1S221 V222 E223 A228 L229 H264 L270 S274 F374 Y376S221-Y225 VanDerWaalsContact O-CB 3.25Å; S221-Y225 WeakPolarHBondContact O-CB 3.41Å; S221-Y225 PolarHBondContact O-N 2.81Å; V222-Y225 PolarHBondContact O-N 2.88Å; E223-Y225 PolarHBondContact O-N 2.67Å; Y225-A228 PolarHBondContact O-N 3.26Å; Y225-L229 PolarHBondContact O-N 2.9Å; Y225-H264 HydrophobicContact CE2-CB 4.47Å; Y225-H264 AromaticContact CE2-CD2 4Å; Y225-H264 PolarHBondContact OH-O 3.07Å; Y225-H264 VanDerWaalsContact OH-O 3.05Å; Y225-L270 HydrophobicContact CD1-CD1 4.3Å; Y225-L270 HydrophobicContact CD1-CD2 4.07Å; Y225-L270 HydrophobicContact CD1-CG 4.22Å; Y225-L270 HydrophobicContact CD2-CD2 4.04Å; Y225-L270 HydrophobicContact CE1-CD2 4.29Å; Y225-L270 HydrophobicContact CE1-CG 4.21Å; Y225-L270 HydrophobicContact CE2-CD2 4.22Å; Y225-L270 HydrophobicContact CG-CD2 3.97Å; Y225-S274 VanDerWaalsContact CE1-OG 3.23Å; Y225-S274 WeakPolarHBondContact CE1-OG 3.37Å; Y225-F374 HydrophobicContact CD1-CE1 4.26Å; Y225-F374 HydrophobicContact CD2-CE1 4.34Å; Y225-F374 HydrophobicContact CE1-CD1 4.21Å; Y225-F374 AromaticContact CE1-CE1 3.71Å; Y225-F374 HydrophobicContact CE1-CE1 3.71Å; Y225-F374 HydrophobicContact CE2-CD1 4.32Å; Y225-F374 AromaticContact CE2-CE1 3.83Å; Y225-F374 HydrophobicContact CE2-CE1 3.83Å; Y225-F374 AromaticContact CZ-CD1 3.76Å; Y225-F374 AromaticContact CZ-CE1 3.48Å; Y225-F374 VanDerWaalsContact CZ-CE1 3.48Å; Y225-F374 WeakPolarHBondContact OH-CD1 3.48Å; Y225-Y376 AromaticContact CD2-CD1 3.53Å; Y225-Y376 HydrophobicContact CD2-CD1 3.53Å; Y225-Y376 HydrophobicContact CD2-CD2 4.2Å; Y225-Y376 HydrophobicContact CD2-CE1 4.11Å; Y225-Y376 AromaticContact CD2-CG 3.57Å; Y225-Y376 HydrophobicContact CD2-CG 3.57Å; Y225-Y376 HydrophobicContact CE2-CD1 4.25Å; Y225-Y376 HydrophobicContact CE2-CG 4.1Å; Y225-Y376 HydrophobicContact CG-CD1 4.41Å; Y225-Y376 HydrophobicContact CG-CG 4.34Å
226L98.8Very high97.9Very high9 Ų934.8 Ų34.85%0.04719%0.187CC..Hα-helixtrans-71.3-38.3-176.9-66.4176.2000112.4V222 E223 A228 L229 D230 L270 R277 Y311V222-L226 HydrophobicContact CG1-CD1 4Å; V222-L226 HydrophobicContact CG1-CG 4.46Å; V222-L226 WeakPolarHBondContact O-CG 3.41Å; V222-L226 PolarHBondContact O-N 2.69Å; E223-L226 PolarHBondContact O-N 3.15Å; L226-A228 VanDerWaalsContact C-N 3.35Å; L226-L229 WeakPolarHBondContact O-CB 3.43Å; L226-L229 PolarHBondContact O-N 3.16Å; L226-D230 VanDerWaalsContact O-CG 3.29Å; L226-D230 PolarHBondContact O-N 2.79Å; L226-L270 HydrophobicContact CD2-CD1 4.49Å; L226-R277 HydrophobicContact CD2-CB 4.22Å; L226-R277 HydrophobicContact CD2-CG 4.22Å; L226-Y311 HydrophobicContact CB-CD1 3.68Å; L226-Y311 HydrophobicContact CB-CE1 4.05Å; L226-Y311 HydrophobicContact CD1-CD1 4.38Å
227S98.7Very high98Very high25 Ų2533.1 Ų33.118%0.17518%0.175CC..Hα-helixtrans-65.7-38.1174.360.50000112E223 C224 L229 D230 R231 Y311E223-S227 VanDerWaalsContact O-CB 3.26Å; E223-S227 WeakPolarHBondContact O-CB 3.44Å; E223-S227 PolarHBondContact O-N 3.36Å; E223-S227 PolarHBondContact O-OG 3.37Å; C224-S227 WeakPolarHBondContact CA-OG 3.2Å; C224-S227 PolarHBondContact O-OG 2.73Å; S227-L229 VanDerWaalsContact C-N 3.34Å; S227-D230 PolarHBondContact O-N 2.8Å; S227-R231 PolarHBondContact O-N 3.02Å; S227-R231 VanDerWaalsContact O-N 3.09Å; S227-Y311 WeakPolarHBondContact CA-OH 3.31Å; S227-Y311 WeakPolarHBondContact CB-OH 3.16Å
228A98.9Very high98.1Very high0 Ų034.2 Ų34.20%018%0.181CC..Hα-helixtrans-63.4-40.8172.200000111.8C224 Y225 L226 R231 C232 F374 Y376 F380 A382C224-A228 WeakPolarHBondContact O-CB 3.29Å; C224-A228 PolarHBondContact O-N 2.81Å; Y225-A228 PolarHBondContact O-N 3.26Å; L226-A228 VanDerWaalsContact C-N 3.35Å; A228-R231 PolarHBondContact O-N 3.19Å; A228-C232 VanDerWaalsContact O-CB 3.25Å; A228-C232 WeakPolarHBondContact O-CB 3.45Å; A228-C232 PolarHBondContact O-N 3.14Å; A228-C232 PolarHBondContact O-SG 2.94Å; A228-F374 HydrophobicContact CB-CZ 4.25Å; A228-Y376 HydrophobicContact CB-CD2 3.8Å; A228-Y376 HydrophobicContact CB-CE2 3.79Å; A228-F380 HydrophobicContact CB-CD2 4Å; A228-F380 HydrophobicContact CB-CE2 3.52Å; A228-F380 HydrophobicContact CB-CZ 3.98Å; A228-A382 HydrophobicContact CB-CB 3.77Å
229L98.9Very high98.4Very high0 Ų036.2 Ų36.20%018%0.177CC..Hα-helixtrans-60.8-48.5175.4-17962.6000111.6Y225 L226 S227 R231 C232 Y233 F263 R277 L278 F374Y225-L229 PolarHBondContact O-N 2.9Å; L226-L229 WeakPolarHBondContact O-CB 3.43Å; L226-L229 PolarHBondContact O-N 3.16Å; S227-L229 VanDerWaalsContact C-N 3.34Å; L229-R231 VanDerWaalsContact C-N 3.32Å; L229-R231 PolarHBondContact O-N 3.06Å; L229-C232 PolarHBondContact O-N 2.98Å; L229-Y233 VanDerWaalsContact O-CB 3.23Å; L229-Y233 WeakPolarHBondContact O-CB 3.43Å; L229-Y233 PolarHBondContact O-N 3.27Å; L229-F263 HydrophobicContact CD1-CE1 4.08Å; L229-F263 HydrophobicContact CD2-CE1 4.39Å; L229-R277 HydrophobicContact CD2-CB 4.29Å; L229-R277 HydrophobicContact CD2-CG 4.39Å; L229-L278 HydrophobicContact CD1-CD2 3.83Å; L229-L278 HydrophobicContact CD1-CG 4.35Å; L229-L278 HydrophobicContact CD2-CD2 4.22Å; L229-L278 HydrophobicContact CD2-CG 4.21Å; L229-L278 HydrophobicContact CG-CD2 3.86Å; L229-L278 HydrophobicContact CG-CG 4.38Å; L229-F374 HydrophobicContact CB-CE1 4.07Å; L229-F374 HydrophobicContact CB-CE2 4.14Å; L229-F374 HydrophobicContact CB-CZ 3.77Å; L229-F374 HydrophobicContact CD1-CB 4.21Å; L229-F374 HydrophobicContact CD1-CD1 3.87Å; L229-F374 HydrophobicContact CD1-CD2 3.65Å; L229-F374 HydrophobicContact CD1-CE1 4.09Å; L229-F374 HydrophobicContact CD1-CE2 3.9Å; L229-F374 HydrophobicContact CD1-CG 3.63Å; L229-F374 HydrophobicContact CD1-CZ 4.1Å
230D98.8Very high98.5Very high14 Ų1429.6 Ų29.68%0.07515%0.148CC..Hα-helixtrans-55.6-47.9177.1-66.5-22.3000111.4L226 S227 S234 R277 N281 Y311L226-D230 VanDerWaalsContact O-CG 3.29Å; L226-D230 PolarHBondContact O-N 2.79Å; S227-D230 PolarHBondContact O-N 2.8Å; D230-S234 VanDerWaalsContact O-CB 3.32Å; D230-S234 WeakPolarHBondContact O-CB 3.42Å; D230-S234 PolarHBondContact O-N 3.3Å; D230-R277 WeakPolarHBondContact OD1-CG 3.12Å; D230-R277 IonicContact OD1-CZ 2.68Å; D230-R277 IonicContact OD1-NE 2.66Å; D230-R277 PolarHBondContact OD1-NE 2.69Å; D230-R277 IonicContact OD1-NH2 3.4Å; D230-R277 IonicContact OD2-CZ 3.44Å; D230-R277 IonicContact OD2-NE 2.72Å; D230-R277 PolarHBondContact OD2-NE 2.63Å; D230-R277 VanDerWaalsContact OD2-NE 3.15Å; D230-R277 IonicContact OD2-NH2 2.65Å; D230-R277 PolarHBondContact OD2-NH2 3.4Å; D230-N281 PolarHBondContact OD1-ND2 3.12Å; D230-Y311 WeakPolarHBondContact OD2-CE1 3.4Å
231R98.8Very high98.4Very high133 Ų13329.5 Ų29.550%0.50215%0.146SC..Hα-helixtrans-68.4-46.7-178.4-175.757.1179.7176.92111.9H197 S227 A228 L229 Y233 S234 V235H197-R231 HydrophobicContact CB-CB 4Å; H197-R231 HydrophobicContact CB-CG 3.7Å; H197-R231 VanDerWaalsContact CG-CG 3.44Å; S227-R231 PolarHBondContact O-N 3.02Å; S227-R231 VanDerWaalsContact O-N 3.09Å; A228-R231 PolarHBondContact O-N 3.19Å; L229-R231 VanDerWaalsContact C-N 3.32Å; L229-R231 PolarHBondContact O-N 3.06Å; R231-Y233 VanDerWaalsContact C-N 3.33Å; R231-Y233 PolarHBondContact O-N 3.02Å; R231-S234 PolarHBondContact O-N 3.23Å; R231-V235 WeakPolarHBondContact O-CG2 3.28Å; R231-V235 PolarHBondContact O-N 3.15Å
232C98.9Very high98.4Very high0 Ų029.8 Ų29.80%015%0.15CC..Hα-helixtrans-60.7-43.6178.7-70.40000111.2G195 A228 L229 V235 Y236 F374 L384G195-C232 WeakPolarHBondContact O-CA 3.32Å; G195-C232 WeakPolarHBondContact O-CB 3.35Å; G195-C232 PolarHBondContact O-SG 3.1Å; A228-C232 VanDerWaalsContact O-CB 3.25Å; A228-C232 WeakPolarHBondContact O-CB 3.45Å; A228-C232 PolarHBondContact O-N 3.14Å; A228-C232 PolarHBondContact O-SG 2.94Å; L229-C232 PolarHBondContact O-N 2.98Å; C232-V235 PolarHBondContact O-N 3.25Å; C232-Y236 WeakPolarHBondContact O-CB 3.4Å; C232-Y236 PolarHBondContact O-N 3.26Å; C232-F374 HydrophobicContact CB-CD2 4.29Å; C232-F374 HydrophobicContact CB-CE2 3.92Å; C232-L384 HydrophobicContact CB-CB 3.8Å
233Y98.9Very high98.3Very high0 Ų030.8 Ų30.80%015%0.154CC..Hα-helixtrans-64.7-43.7177.4-173.6-131.5000112.3L229 R231 V235 Y236 R237 F253 L255 F258 L278 N281 D282 L384L229-Y233 VanDerWaalsContact O-CB 3.23Å; L229-Y233 WeakPolarHBondContact O-CB 3.43Å; L229-Y233 PolarHBondContact O-N 3.27Å; R231-Y233 VanDerWaalsContact C-N 3.33Å; R231-Y233 PolarHBondContact O-N 3.02Å; Y233-V235 PolarHBondContact O-N 2.94Å; Y233-Y236 PolarHBondContact O-N 2.99Å; Y233-R237 HydrophobicContact CD2-CG 4.16Å; Y233-R237 HydrophobicContact CE1-CG 4.42Å; Y233-R237 HydrophobicContact CE2-CG 3.9Å; Y233-R237 WeakPolarHBondContact O-CB 3.46Å; Y233-R237 VanDerWaalsContact O-CG 3.31Å; Y233-R237 WeakPolarHBondContact O-CG 3.4Å; Y233-R237 PolarHBondContact O-N 2.71Å; Y233-F253 HydrophobicContact CE2-CD1 4.01Å; Y233-F253 AromaticContact CE2-CE1 3.81Å; Y233-F253 HydrophobicContact CE2-CE1 3.81Å; Y233-L255 PolarHBondContact OH-N 2.84Å; Y233-F258 HydrophobicContact CE2-CE2 4.16Å; Y233-L278 HydrophobicContact CD1-CD2 3.54Å; Y233-L278 HydrophobicContact CD2-CD2 3.9Å; Y233-L278 HydrophobicContact CE1-CD2 4.06Å; Y233-L278 HydrophobicContact CE2-CD2 4.38Å; Y233-L278 HydrophobicContact CG-CD2 3.45Å; Y233-L278 VanDerWaalsContact CG-CD2 3.45Å; Y233-N281 HydrophobicContact CD1-CB 3.71Å; Y233-N281 HydrophobicContact CE1-CB 3.86Å; Y233-D282 WeakPolarHBondContact CE1-OD1 3.46Å; Y233-D282 VanDerWaalsContact CZ-OD1 3.32Å; Y233-D282 PolarHBondContact OH-OD1 3.18Å; Y233-D282 PolarHBondContact OH-OD2 3.01Å; Y233-L384 HydrophobicContact CD2-CD2 3.61Å; Y233-L384 HydrophobicContact CG-CD2 4.42Å
234S98.6Very high98.3Very high25 Ų2528.7 Ų28.718%0.17514%0.143CC..Hα-helixtrans-57.1-48.2173.3-176.30000112.5D230 R231 R237 N238D230-S234 VanDerWaalsContact O-CB 3.32Å; D230-S234 WeakPolarHBondContact O-CB 3.42Å; D230-S234 PolarHBondContact O-N 3.3Å; R231-S234 PolarHBondContact O-N 3.23Å; S234-R237 PolarHBondContact O-N 2.93Å; S234-N238 PolarHBondContact O-N 3.48Å; S234-N238 VanDerWaalsContact O-N 3.08Å; S234-N238 PolarHBondContact O-ND2 3.49Å
235V98.8Very high98.1Very high26 Ų2633 Ų3316%0.15816%0.162CC..Hα-helixtrans-64.8-42.6178.7177.90000111.4R231 C232 Y233 N238 K239R231-V235 WeakPolarHBondContact O-CG2 3.28Å; R231-V235 PolarHBondContact O-N 3.15Å; C232-V235 PolarHBondContact O-N 3.25Å; Y233-V235 PolarHBondContact O-N 2.94Å; V235-N238 PolarHBondContact O-N 3.41Å; V235-K239 HydrophobicContact CG1-CD 4.12Å; V235-K239 WeakPolarHBondContact O-CG 3.38Å; V235-K239 PolarHBondContact O-N 2.85Å
236Y98.8Very high98Very high0 Ų041.5 Ų41.50%019%0.194CC..Hα-helixtrans-60.6-48.6177.3179.1-82.5000111.5L193 C232 Y233 N238 K239 I240 F253 F258 L384 S386L193-Y236 HydrophobicContact CB-CD2 4.26Å; L193-Y236 HydrophobicContact CB-CE2 3.72Å; L193-Y236 HydrophobicContact CD1-CE2 4.45Å; L193-Y236 WeakPolarHBondContact O-CE2 3.47Å; C232-Y236 WeakPolarHBondContact O-CB 3.4Å; C232-Y236 PolarHBondContact O-N 3.26Å; Y233-Y236 PolarHBondContact O-N 2.99Å; Y236-N238 VanDerWaalsContact C-N 3.32Å; Y236-N238 PolarHBondContact O-N 2.84Å; Y236-K239 PolarHBondContact O-N 2.83Å; Y236-K239 VanDerWaalsContact O-N 3.09Å; Y236-I240 HydrophobicContact CD1-CG2 4.46Å; Y236-I240 HydrophobicContact CE1-CD1 4.45Å; Y236-I240 HydrophobicContact CE1-CG2 4.22Å; Y236-I240 PolarHBondContact O-N 3.32Å; Y236-F253 HydrophobicContact CD1-CE1 4.37Å; Y236-F253 HydrophobicContact CD1-CZ 4.39Å; Y236-F253 HydrophobicContact CE1-CD1 4.46Å; Y236-F253 HydrophobicContact CE1-CD2 4.22Å; Y236-F253 HydrophobicContact CE1-CE1 4Å; Y236-F253 AromaticContact CE1-CE2 3.69Å; Y236-F253 HydrophobicContact CE1-CE2 3.69Å; Y236-F253 AromaticContact CE1-CZ 3.59Å; Y236-F253 HydrophobicContact CE1-CZ 3.59Å; Y236-F258 HydrophobicContact CD1-CZ 4.14Å; Y236-F258 HydrophobicContact CE1-CE1 4.12Å; Y236-F258 HydrophobicContact CE1-CE2 4.35Å; Y236-F258 AromaticContact CE1-CZ 3.52Å; Y236-F258 HydrophobicContact CE1-CZ 3.52Å; Y236-F258 HydrophobicContact CE2-CZ 4.4Å; Y236-F258 AromaticContact CZ-CE1 3.89Å; Y236-F258 AromaticContact CZ-CZ 3.68Å; Y236-L384 HydrophobicContact CD1-CD2 4.13Å; Y236-L384 HydrophobicContact CD2-CD2 4.24Å; Y236-L384 HydrophobicContact CD2-CG 4.4Å; Y236-L384 HydrophobicContact CG-CD2 3.78Å; Y236-L384 HydrophobicContact CG-CG 4.41Å; Y236-S386 VanDerWaalsContact OH-CB 3.23Å; Y236-S386 WeakPolarHBondContact OH-CB 3.47Å; Y236-S386 PolarHBondContact OH-OG 2.94Å
237R98.1Very high97.8Very high20 Ų2048.1 Ų48.18%0.07523%0.225CC..Hα-helixtrans-56.5-44.5176.9-74.9-170.7-65.8-172.9-0.2112.1Y233 S234 K239 I240 H241 F253 N281 D282Y233-R237 HydrophobicContact CD2-CG 4.16Å; Y233-R237 HydrophobicContact CE1-CG 4.42Å; Y233-R237 HydrophobicContact CE2-CG 3.9Å; Y233-R237 WeakPolarHBondContact O-CB 3.46Å; Y233-R237 VanDerWaalsContact O-CG 3.31Å; Y233-R237 WeakPolarHBondContact O-CG 3.4Å; Y233-R237 PolarHBondContact O-N 2.71Å; S234-R237 PolarHBondContact O-N 2.93Å; R237-K239 VanDerWaalsContact C-N 3.32Å; R237-K239 PolarHBondContact O-N 3.2Å; R237-I240 WeakPolarHBondContact O-CG2 3.32Å; R237-I240 PolarHBondContact O-N 3.39Å; R237-H241 WeakPolarHBondContact O-CB 3.4Å; R237-H241 PolarHBondContact O-N 3.29Å; R237-F253 HydrophobicContact CB-CB 4.45Å; R237-F253 HydrophobicContact CG-CB 4.04Å; R237-F253 HydrophobicContact CG-CD1 3.69Å; R237-F253 HydrophobicContact CG-CG 4.16Å; R237-N281 PolarHBondContact NH1-O 3.02Å; R237-D282 IonicContact NH1-OD1 2.73Å; R237-D282 PolarHBondContact NH1-OD1 3.21Å
238N97.8Very high97.6Very high101 Ų10150.2 Ų50.254%0.5425%0.251SS..Hα-helixtrans-62.9-40177.5-66.7-18.3000112S234 V235 Y236 A242S234-N238 PolarHBondContact O-N 3.48Å; S234-N238 VanDerWaalsContact O-N 3.08Å; S234-N238 PolarHBondContact O-ND2 3.49Å; V235-N238 PolarHBondContact O-N 3.41Å; Y236-N238 VanDerWaalsContact C-N 3.32Å; Y236-N238 PolarHBondContact O-N 2.84Å; N238-A242 WeakPolarHBondContact O-CB 3.42Å; N238-A242 PolarHBondContact O-N 3.15Å
239K98.5Very high97.4Very high84 Ų8452.5 Ų52.537%0.36527%0.266SS..Hα-helixtrans-67.6-44.6-179.8-75177.7168.1-159.70112.4G192 L193 R194 V235 Y236 R237 A242 Q243G192-K239 WeakPolarHBondContact O-CD 3.34Å; L193-K239 HydrophobicContact CD2-CB 3.96Å; R194-K239 WeakPolarHBondContact O-CD 3.34Å; R194-K239 WeakPolarHBondContact O-CE 3.47Å; R194-K239 PolarHBondContact O-NZ 3.25Å; V235-K239 HydrophobicContact CG1-CD 4.12Å; V235-K239 WeakPolarHBondContact O-CG 3.38Å; V235-K239 PolarHBondContact O-N 2.85Å; Y236-K239 PolarHBondContact O-N 2.83Å; Y236-K239 VanDerWaalsContact O-N 3.09Å; R237-K239 VanDerWaalsContact C-N 3.32Å; R237-K239 PolarHBondContact O-N 3.2Å; K239-A242 PolarHBondContact O-N 2.89Å; K239-Q243 PolarHBondContact O-N 3.28Å; K239-Q243 VanDerWaalsContact O-N 3.14Å
240I97.8Very high96.9Very high0 Ų058.4 Ų58.40%030%0.298CS..Hα-helixtrans-72.4-37.6179-162.9171.7000112L193 Y236 R237 A242 Q243 W244 F253L193-I240 HydrophobicContact CD1-CB 4.11Å; L193-I240 HydrophobicContact CD1-CD1 3.74Å; L193-I240 HydrophobicContact CD1-CG1 3.82Å; L193-I240 HydrophobicContact CD2-CB 3.69Å; L193-I240 HydrophobicContact CD2-CG1 4.16Å; Y236-I240 HydrophobicContact CD1-CG2 4.46Å; Y236-I240 HydrophobicContact CE1-CD1 4.45Å; Y236-I240 HydrophobicContact CE1-CG2 4.22Å; Y236-I240 PolarHBondContact O-N 3.32Å; R237-I240 WeakPolarHBondContact O-CG2 3.32Å; R237-I240 PolarHBondContact O-N 3.39Å; I240-A242 VanDerWaalsContact C-N 3.32Å; I240-A242 PolarHBondContact O-N 3.04Å; I240-Q243 WeakPolarHBondContact O-CA 3.45Å; I240-Q243 WeakPolarHBondContact O-CB 3.26Å; I240-Q243 PolarHBondContact O-N 2.86Å; I240-W244 HydrophobicContact CD1-CH2 4.17Å; I240-W244 HydrophobicContact CD1-CZ2 3.59Å; I240-W244 HydrophobicContact CG1-CD2 4.13Å; I240-W244 HydrophobicContact CG1-CH2 4.49Å; I240-W244 HydrophobicContact CG1-CZ2 3.95Å; I240-W244 PolarHBondContact O-N 2.9Å; I240-F253 HydrophobicContact CB-CD2 4.48Å; I240-F253 HydrophobicContact CD1-CD2 3.68Å; I240-F253 HydrophobicContact CD1-CE2 3.72Å; I240-F253 HydrophobicContact CG1-CD2 4.44Å; I240-F253 HydrophobicContact CG2-CB 3.76Å; I240-F253 HydrophobicContact CG2-CD2 3.45Å; I240-F253 VanDerWaalsContact CG2-CD2 3.45Å; I240-F253 HydrophobicContact CG2-CE2 4.27Å; I240-F253 HydrophobicContact CG2-CG 3.74Å
241H96.3Very high96.5Very high49 Ų4962.7 Ų62.723%0.22732%0.316CS..Hα-helixtrans-59.2-44.5172.5-177.967.9000111.5R237 Q243 W244 Q245 K251R237-H241 WeakPolarHBondContact O-CB 3.4Å; R237-H241 PolarHBondContact O-N 3.29Å; H241-Q243 VanDerWaalsContact C-N 3.26Å; H241-Q243 PolarHBondContact O-N 3.43Å; H241-W244 PolarHBondContact O-N 3.19Å; H241-Q245 VanDerWaalsContact NE2-CD 3.3Å; H241-Q245 PolarHBondContact NE2-NE2 2.85Å; H241-Q245 WeakPolarHBondContact O-CB 3.41Å; H241-Q245 WeakPolarHBondContact O-CG 3.48Å; H241-Q245 PolarHBondContact O-N 3.03Å; H241-K251 PolarHBondContact ND1-O 3.23Å; H241-K251 VanDerWaalsContact ND1-O 3.12Å
242A97.1Very high96Very high34 Ų3462.6 Ų62.628%0.28132%0.321SS..Hα-helixtrans-63.7-29.4175.300000113.2N238 K239 I240 R246N238-A242 WeakPolarHBondContact O-CB 3.42Å; N238-A242 PolarHBondContact O-N 3.15Å; K239-A242 PolarHBondContact O-N 2.89Å; I240-A242 VanDerWaalsContact C-N 3.32Å; I240-A242 PolarHBondContact O-N 3.04Å; A242-R246 WeakPolarHBondContact O-CG 3.34Å; A242-R246 VanDerWaalsContact O-CZ 3.31Å; A242-R246 PolarHBondContact O-N 3.22Å; A242-R246 PolarHBondContact O-NH1 2.84Å
243Q96.8Very high95.9Very high42 Ų4263.2 Ų63.220%0.19632%0.324CS..Hα-helixtrans-69.5-51.4171.9-76.5179000111R191 L193 K239 I240 H241 Q245 R246 E247R191-Q243 PolarHBondContact O-NE2 3.11Å; L193-Q243 HydrophobicContact CD2-CG 4.46Å; L193-Q243 VanDerWaalsContact CD2-OE1 3.3Å; K239-Q243 PolarHBondContact O-N 3.28Å; K239-Q243 VanDerWaalsContact O-N 3.14Å; I240-Q243 WeakPolarHBondContact O-CA 3.45Å; I240-Q243 WeakPolarHBondContact O-CB 3.26Å; I240-Q243 PolarHBondContact O-N 2.86Å; H241-Q243 VanDerWaalsContact C-N 3.26Å; H241-Q243 PolarHBondContact O-N 3.43Å; Q243-Q245 VanDerWaalsContact C-N 3.33Å; Q243-Q245 PolarHBondContact O-N 3.33Å; Q243-R246 WeakPolarHBondContact O-CB 3.44Å; Q243-R246 PolarHBondContact O-N 3.21Å; Q243-E247 PolarHBondContact O-N 2.87Å; Q243-E247 VanDerWaalsContact O-N 3.15Å
244W96.7Very high95.7Very high28 Ų2864.6 Ų64.611%0.10633%0.333CS..Hα-helixtrans-59.4-39.7178.6-70.9-19.5000113.3I240 H241 R246 E247 G248 S249 K251 F253 D257I240-W244 HydrophobicContact CD1-CH2 4.17Å; I240-W244 HydrophobicContact CD1-CZ2 3.59Å; I240-W244 HydrophobicContact CG1-CD2 4.13Å; I240-W244 HydrophobicContact CG1-CH2 4.49Å; I240-W244 HydrophobicContact CG1-CZ2 3.95Å; I240-W244 PolarHBondContact O-N 2.9Å; H241-W244 PolarHBondContact O-N 3.19Å; W244-R246 VanDerWaalsContact C-N 3.31Å; W244-R246 PolarHBondContact O-N 3Å; W244-E247 CarbonylContact O-C 3.59Å; W244-E247 WeakPolarHBondContact O-CA 3.25Å; W244-E247 WeakPolarHBondContact O-CB 3.14Å; W244-E247 PolarHBondContact O-N 3.5Å; W244-G248 PolarHBondContact O-N 2.88Å; W244-S249 CarbonylContact C-O 3.27Å; W244-S249 PolarHBondContact O-N 3.26Å; W244-K251 HydrophobicContact CD2-CB 4.43Å; W244-K251 HydrophobicContact CE3-CB 3.73Å; W244-K251 HydrophobicContact CE3-CD 4.45Å; W244-K251 HydrophobicContact CE3-CG 4.15Å; W244-K251 HydrophobicContact CH2-CD 3.89Å; W244-K251 HydrophobicContact CH2-CG 4.24Å; W244-K251 HydrophobicContact CZ2-CD 4.46Å; W244-K251 HydrophobicContact CZ3-CB 3.85Å; W244-K251 HydrophobicContact CZ3-CD 3.9Å; W244-K251 HydrophobicContact CZ3-CG 3.72Å; W244-F253 HydrophobicContact CH2-CB 4.22Å; W244-F253 AromaticContact CH2-CD2 3.56Å; W244-F253 HydrophobicContact CH2-CD2 3.56Å; W244-F253 HydrophobicContact CH2-CE2 4.39Å; W244-F253 HydrophobicContact CH2-CG 4.36Å; W244-F253 HydrophobicContact CZ2-CD2 4.24Å; W244-F253 HydrophobicContact CZ3-CB 3.93Å; W244-F253 HydrophobicContact CZ3-CD2 4.11Å; W244-D257 HydrophobicContact CH2-CB 4.34Å
245Q95.5Very high95.6Very high100 Ų10063.6 Ų63.647%0.46733%0.326SS..Hα-helixtrans-60.7-39.8174.5-76.4-177.7-37.500112.4H241 Q243 E247 G248 S249H241-Q245 VanDerWaalsContact NE2-CD 3.3Å; H241-Q245 PolarHBondContact NE2-NE2 2.85Å; H241-Q245 WeakPolarHBondContact O-CB 3.41Å; H241-Q245 WeakPolarHBondContact O-CG 3.48Å; H241-Q245 PolarHBondContact O-N 3.03Å; Q243-Q245 VanDerWaalsContact C-N 3.33Å; Q243-Q245 PolarHBondContact O-N 3.33Å; Q245-E247 PolarHBondContact O-N 3.28Å; Q245-G248 PolarHBondContact O-N 2.82Å; Q245-G248 VanDerWaalsContact O-N 3.1Å; Q245-S249 PolarHBondContact N-O 2.87Å
246R95.6Very high95.4Very high182 Ų18267.9 Ų67.969%0.68735%0.348SS*.Hα-helixtrans-66.5-25.4174.4-71.7-171.2-60.3-916.6112.6A242 Q243 W244 G248A242-R246 WeakPolarHBondContact O-CG 3.34Å; A242-R246 VanDerWaalsContact O-CZ 3.31Å; A242-R246 PolarHBondContact O-N 3.22Å; A242-R246 PolarHBondContact O-NH1 2.84Å; Q243-R246 WeakPolarHBondContact O-CB 3.44Å; Q243-R246 PolarHBondContact O-N 3.21Å; W244-R246 VanDerWaalsContact C-N 3.31Å; W244-R246 PolarHBondContact O-N 3Å; R246-G248 VanDerWaalsContact C-N 3.33Å
247E94.9Very high95.4Very high147 Ų14768.5 Ų68.569%0.68735%0.351SS*.THydrogen-bonded Turntrans-89.52.9175.4-65.2168.6-177.500112.6Q243 W244 Q245Q243-E247 PolarHBondContact O-N 2.87Å; Q243-E247 VanDerWaalsContact O-N 3.15Å; W244-E247 CarbonylContact O-C 3.59Å; W244-E247 WeakPolarHBondContact O-CA 3.25Å; W244-E247 WeakPolarHBondContact O-CB 3.14Å; W244-E247 PolarHBondContact O-N 3.5Å; Q245-E247 PolarHBondContact O-N 3.28Å
248G95.4Very high95.4Very high70 Ų7067.6 Ų67.672%0.72235%0.348SS*.THydrogen-bonded Turntrans81.121.417800000114.9W244 Q245 R246W244-G248 PolarHBondContact O-N 2.88Å; Q245-G248 PolarHBondContact O-N 2.82Å; Q245-G248 VanDerWaalsContact O-N 3.1Å; R246-G248 VanDerWaalsContact C-N 3.33Å
249S94Very high95.4Very high47 Ų4765.2 Ų65.233%0.32934%0.335SS..  trans-112.7126.2177.2-177.50000111.9W244 Q245 K251W244-S249 CarbonylContact C-O 3.27Å; W244-S249 PolarHBondContact O-N 3.26Å; Q245-S249 PolarHBondContact N-O 2.87Å; S249-K251 VanDerWaalsContact C-N 3.25Å; S249-K251 PolarHBondContact O-N 3.05Å; S249-K251 WeakPolarHBondContact OG-CB 3.35Å; S249-K251 PolarHBondContact OG-N 3.32Å
250D89.8Confident95.4Very high125 Ų12562 Ų6267%0.66832%0.321SS*.  trans-90.922.4174.3-66.1-43.6000112.8H252D250-H252 PolarHBondContact O-ND1 3.48Å; D250-H252 VanDerWaalsContact O-ND1 3.15Å
251K90.1Very high95.5Very high103 Ų10362 Ų6245%0.44832%0.322SS..PPolyproline II helixtrans-62.7141.2-180-170176.4-172.8-178.20110.7H241 W244 S249 D257H241-K251 PolarHBondContact ND1-O 3.23Å; H241-K251 VanDerWaalsContact ND1-O 3.12Å; W244-K251 HydrophobicContact CD2-CB 4.43Å; W244-K251 HydrophobicContact CE3-CB 3.73Å; W244-K251 HydrophobicContact CE3-CD 4.45Å; W244-K251 HydrophobicContact CE3-CG 4.15Å; W244-K251 HydrophobicContact CH2-CD 3.89Å; W244-K251 HydrophobicContact CH2-CG 4.24Å; W244-K251 HydrophobicContact CZ2-CD 4.46Å; W244-K251 HydrophobicContact CZ3-CB 3.85Å; W244-K251 HydrophobicContact CZ3-CD 3.9Å; W244-K251 HydrophobicContact CZ3-CG 3.72Å; S249-K251 VanDerWaalsContact C-N 3.25Å; S249-K251 PolarHBondContact O-N 3.05Å; S249-K251 WeakPolarHBondContact OG-CB 3.35Å; S249-K251 PolarHBondContact OG-N 3.32Å; K251-D257 WeakPolarHBondContact CE-OD1 3.4Å; K251-D257 IonicContact NZ-OD1 3.99Å; K251-D257 PolarHBondContact NZ-OD1 3.31Å
252H88.6Confident95.6Very high131 Ų13159.7 Ų59.761%0.60631%0.311SS*.PPolyproline II helixtrans-98.6129.9172.2-69.265000108.8D250D250-H252 PolarHBondContact O-ND1 3.48Å; D250-H252 VanDerWaalsContact O-ND1 3.15Å
253F95.1Very high95.7Very high13 Ų1358.1 Ų58.16%0.05730%0.298CS..PPolyproline II helixtrans-75130.6-179.9-171-80000110.9Y233 Y236 R237 I240 W244 D257 F258Y233-F253 HydrophobicContact CE2-CD1 4.01Å; Y233-F253 AromaticContact CE2-CE1 3.81Å; Y233-F253 HydrophobicContact CE2-CE1 3.81Å; Y236-F253 HydrophobicContact CD1-CE1 4.37Å; Y236-F253 HydrophobicContact CD1-CZ 4.39Å; Y236-F253 HydrophobicContact CE1-CD1 4.46Å; Y236-F253 HydrophobicContact CE1-CD2 4.22Å; Y236-F253 HydrophobicContact CE1-CE1 4Å; Y236-F253 AromaticContact CE1-CE2 3.69Å; Y236-F253 HydrophobicContact CE1-CE2 3.69Å; Y236-F253 AromaticContact CE1-CZ 3.59Å; Y236-F253 HydrophobicContact CE1-CZ 3.59Å; R237-F253 HydrophobicContact CB-CB 4.45Å; R237-F253 HydrophobicContact CG-CB 4.04Å; R237-F253 HydrophobicContact CG-CD1 3.69Å; R237-F253 HydrophobicContact CG-CG 4.16Å; I240-F253 HydrophobicContact CB-CD2 4.48Å; I240-F253 HydrophobicContact CD1-CD2 3.68Å; I240-F253 HydrophobicContact CD1-CE2 3.72Å; I240-F253 HydrophobicContact CG1-CD2 4.44Å; I240-F253 HydrophobicContact CG2-CB 3.76Å; I240-F253 HydrophobicContact CG2-CD2 3.45Å; I240-F253 VanDerWaalsContact CG2-CD2 3.45Å; I240-F253 HydrophobicContact CG2-CE2 4.27Å; I240-F253 HydrophobicContact CG2-CG 3.74Å; W244-F253 HydrophobicContact CH2-CB 4.22Å; W244-F253 AromaticContact CH2-CD2 3.56Å; W244-F253 HydrophobicContact CH2-CD2 3.56Å; W244-F253 HydrophobicContact CH2-CE2 4.39Å; W244-F253 HydrophobicContact CH2-CG 4.36Å; W244-F253 HydrophobicContact CZ2-CD2 4.24Å; W244-F253 HydrophobicContact CZ3-CB 3.93Å; W244-F253 HydrophobicContact CZ3-CD2 4.11Å; F253-D257 WeakPolarHBondContact CA-OD2 3.23Å; F253-D257 HydrophobicContact CD2-CB 3.66Å; F253-D257 HydrophobicContact CE1-CB 4.29Å; F253-D257 HydrophobicContact CE2-CB 3.33Å; F253-D257 HydrophobicContact CG-CB 4.3Å; F253-D257 HydrophobicContact CZ-CB 3.67Å; F253-F258 AromaticContact CE1-CD2 3.63Å; F253-F258 HydrophobicContact CE1-CD2 3.63Å; F253-F258 AromaticContact CE1-CE2 3.29Å; F253-F258 HydrophobicContact CE1-CE2 3.29Å; F253-F258 HydrophobicContact CE1-CG 4.47Å; F253-F258 AromaticContact CE1-CZ 3.84Å; F253-F258 HydrophobicContact CE1-CZ 3.84Å; F253-F258 HydrophobicContact CE2-CZ 4.46Å; F253-F258 HydrophobicContact CZ-CD1 4.05Å; F253-F258 AromaticContact CZ-CD2 3.49Å; F253-F258 HydrophobicContact CZ-CD2 3.49Å; F253-F258 VanDerWaalsContact CZ-CD2 3.49Å; F253-F258 AromaticContact CZ-CE1 3.79Å; F253-F258 HydrophobicContact CZ-CE1 3.79Å; F253-F258 AromaticContact CZ-CE2 3.26Å; F253-F258 HydrophobicContact CZ-CE2 3.26Å; F253-F258 AromaticContact CZ-CG 3.91Å; F253-F258 HydrophobicContact CZ-CG 3.91Å; F253-F258 AromaticContact CZ-CZ 3.41Å; F253-F258 HydrophobicContact CZ-CZ 3.41Å; F253-F258 VanDerWaalsContact CZ-CZ 3.41Å
254S95.4Very high95.8Very high29 Ų2956.4 Ų56.420%0.20329%0.29CS..  trans-134.9-179.9171.474.80000112D256 D257 D282S254-D256 PolarHBondContact O-N 3.43Å; S254-D256 VanDerWaalsContact O-N 3.12Å; S254-D256 PolarHBondContact OG-N 3.36Å; S254-D257 PolarHBondContact N-OD2 3.1Å; S254-D257 WeakPolarHBondContact O-CB 3.25Å; S254-D257 PolarHBondContact O-N 2.74Å; S254-D282 WeakPolarHBondContact CA-OD2 3.23Å; S254-D282 WeakPolarHBondContact CB-OD2 3.49Å
255L96.4Very high95.9Very high5 Ų555.1 Ų55.13%0.02629%0.285CS..G310 helixtrans-54.9-22.2169.9-78.1176.3000114.2Y233 D257 F258 L261 L278 M279 D282 L327 K331Y233-L255 PolarHBondContact OH-N 2.84Å; L255-D257 PolarHBondContact O-N 3.19Å; L255-F258 PolarHBondContact O-N 3.32Å; L255-L261 HydrophobicContact CD2-CD1 3.37Å; L255-L278 HydrophobicContact CD1-CB 4.02Å; L255-L278 HydrophobicContact CD2-CB 3.7Å; L255-L278 HydrophobicContact CD2-CD1 3.83Å; L255-L278 HydrophobicContact CD2-CG 4.43Å; L255-L278 HydrophobicContact CG-CB 4.1Å; L255-M279 HydrophobicContact CD1-CB 3.73Å; L255-M279 HydrophobicContact CD1-CG 4.47Å; L255-D282 WeakPolarHBondContact CB-OD2 3.29Å; L255-D282 WeakPolarHBondContact CG-OD2 3.43Å; L255-D282 PolarHBondContact N-OD2 2.69Å; L255-L327 HydrophobicContact CB-CD1 4.5Å; L255-L327 HydrophobicContact CD1-CD1 4.11Å; L255-K331 WeakPolarHBondContact O-CE 3.28Å
256D95.3Very high96Very high115 Ų11551.3 Ų51.362%0.61527%0.269SS*.G310 helixtrans-72.9-20177-63-38.3000112.4S254 F258S254-D256 PolarHBondContact O-N 3.43Å; S254-D256 VanDerWaalsContact O-N 3.12Å; S254-D256 PolarHBondContact OG-N 3.36Å; D256-F258 VanDerWaalsContact C-N 3.32Å
257D97.7Very high96.2Very high14 Ų1444.7 Ų44.78%0.07524%0.244CC..G310 helixtrans-82.7-9.1177.9-71.6-68000114.3W244 K251 F253 S254 L255 R370W244-D257 HydrophobicContact CH2-CB 4.34Å; K251-D257 WeakPolarHBondContact CE-OD1 3.4Å; K251-D257 IonicContact NZ-OD1 3.99Å; K251-D257 PolarHBondContact NZ-OD1 3.31Å; F253-D257 WeakPolarHBondContact CA-OD2 3.23Å; F253-D257 HydrophobicContact CD2-CB 3.66Å; F253-D257 HydrophobicContact CE1-CB 4.29Å; F253-D257 HydrophobicContact CE2-CB 3.33Å; F253-D257 HydrophobicContact CG-CB 4.3Å; F253-D257 HydrophobicContact CZ-CB 3.67Å; S254-D257 PolarHBondContact N-OD2 3.1Å; S254-D257 WeakPolarHBondContact O-CB 3.25Å; S254-D257 PolarHBondContact O-N 2.74Å; L255-D257 PolarHBondContact O-N 3.19Å; D257-R370 WeakPolarHBondContact O-CD 3.37Å; D257-R370 PolarHBondContact O-NH1 2.88Å
258F98.6Very high96.3Very high0 Ų038.3 Ų38.30%022%0.215CC..  trans-98.8127.6167.4-73.9-58.6000109.2Y233 Y236 F253 L255 D256 L261 K331 R370 G372 L384Y233-F258 HydrophobicContact CE2-CE2 4.16Å; Y236-F258 HydrophobicContact CD1-CZ 4.14Å; Y236-F258 HydrophobicContact CE1-CE1 4.12Å; Y236-F258 HydrophobicContact CE1-CE2 4.35Å; Y236-F258 AromaticContact CE1-CZ 3.52Å; Y236-F258 HydrophobicContact CE1-CZ 3.52Å; Y236-F258 HydrophobicContact CE2-CZ 4.4Å; Y236-F258 AromaticContact CZ-CE1 3.89Å; Y236-F258 AromaticContact CZ-CZ 3.68Å; F253-F258 AromaticContact CE1-CD2 3.63Å; F253-F258 HydrophobicContact CE1-CD2 3.63Å; F253-F258 AromaticContact CE1-CE2 3.29Å; F253-F258 HydrophobicContact CE1-CE2 3.29Å; F253-F258 HydrophobicContact CE1-CG 4.47Å; F253-F258 AromaticContact CE1-CZ 3.84Å; F253-F258 HydrophobicContact CE1-CZ 3.84Å; F253-F258 HydrophobicContact CE2-CZ 4.46Å; F253-F258 HydrophobicContact CZ-CD1 4.05Å; F253-F258 AromaticContact CZ-CD2 3.49Å; F253-F258 HydrophobicContact CZ-CD2 3.49Å; F253-F258 VanDerWaalsContact CZ-CD2 3.49Å; F253-F258 AromaticContact CZ-CE1 3.79Å; F253-F258 HydrophobicContact CZ-CE1 3.79Å; F253-F258 AromaticContact CZ-CE2 3.26Å; F253-F258 HydrophobicContact CZ-CE2 3.26Å; F253-F258 AromaticContact CZ-CG 3.91Å; F253-F258 HydrophobicContact CZ-CG 3.91Å; F253-F258 AromaticContact CZ-CZ 3.41Å; F253-F258 HydrophobicContact CZ-CZ 3.41Å; F253-F258 VanDerWaalsContact CZ-CZ 3.41Å; L255-F258 PolarHBondContact O-N 3.32Å; D256-F258 VanDerWaalsContact C-N 3.32Å; F258-L261 HydrophobicContact CB-CD2 4.13Å; F258-L261 HydrophobicContact CB-CG 4.01Å; F258-L261 HydrophobicContact CD1-CD2 4.36Å; F258-L261 HydrophobicContact CD2-CD1 4.47Å; F258-L261 HydrophobicContact CD2-CD2 3.53Å; F258-L261 HydrophobicContact CD2-CG 4.21Å; F258-L261 HydrophobicContact CE2-CD2 3.89Å; F258-L261 HydrophobicContact CG-CD2 3.77Å; F258-L261 HydrophobicContact CG-CG 4.22Å; F258-L261 HydrophobicContact CZ-CD2 4.48Å; F258-K331 WeakPolarHBondContact O-CD 3.09Å; F258-K331 WeakPolarHBondContact O-CE 3.22Å; F258-K331 PolarHBondContact O-NZ 3.06Å; F258-R370 HydrophobicContact CD1-CG 3.88Å; F258-R370 HydrophobicContact CE1-CG 4.21Å; F258-G372 VanDerWaalsContact CE1-CA 3.42Å; F258-L384 HydrophobicContact CE2-CD2 4.48Å; F258-L384 HydrophobicContact CZ-CD2 4.3Å
259D98.8Very high96.5Very high52 Ų5237.3 Ų37.328%0.27819%0.191SC..SBendtrans-79.8-37.3173.4-58.4-60.7000110.4K331 Q369 R370D259-K331 WeakPolarHBondContact O-CG 3.15Å; D259-Q369 HydrophobicContact CB-CB 3.87Å; D259-Q369 HydrophobicContact CB-CG 4.32Å; D259-Q369 PolarHBondContact OD1-OE1 2.94Å; D259-Q369 WeakPolarHBondContact OD2-CA 3.14Å; D259-Q369 PolarHBondContact OD2-OE1 3.38Å; D259-Q369 VanDerWaalsContact OD2-OE1 3.13Å; D259-R370 PolarHBondContact N-O 2.64Å; D259-R370 PolarHBondContact OD2-N 2.86Å
260F98.9Very high96.7Very high15 Ų1535.3 Ų35.37%0.06618%0.177CC..EExtended strand (participates in β ladder)trans-134.1152.4172.2-59.4-72.6000112K331 L357 H361 L366 Q369 R370 V371 G372F260-K331 CarbonylContact C-O 3.41Å; F260-K331 WeakPolarHBondContact CA-O 3.24Å; F260-L357 HydrophobicContact CB-CD1 4.29Å; F260-L357 HydrophobicContact CB-CD2 3.6Å; F260-L357 HydrophobicContact CD1-CD1 3.46Å; F260-L357 VanDerWaalsContact CD1-CD1 3.46Å; F260-L357 HydrophobicContact CD1-CD2 4.3Å; F260-L357 HydrophobicContact CD1-CG 4.48Å; F260-L357 HydrophobicContact CD2-CD1 4.39Å; F260-L357 HydrophobicContact CD2-CD2 4.12Å; F260-L357 HydrophobicContact CE1-CD1 3.77Å; F260-L357 HydrophobicContact CG-CD1 3.79Å; F260-L357 HydrophobicContact CG-CD2 3.75Å; F260-L357 HydrophobicContact CG-CG 4.36Å; F260-L357 HydrophobicContact CZ-CD1 4.35Å; F260-H361 AromaticContact CE1-CE1 3.94Å; F260-H361 AromaticContact CE1-NE2 3.67Å; F260-H361 AromaticContact CZ-CD2 3.97Å; F260-H361 AromaticContact CZ-NE2 3.75Å; F260-L366 HydrophobicContact CD2-CD2 4.4Å; F260-L366 HydrophobicContact CE2-CD2 3.78Å; F260-L366 HydrophobicContact CZ-CD2 4.29Å; F260-Q369 HydrophobicContact CD2-CB 4.24Å; F260-Q369 HydrophobicContact CE2-CB 4.17Å; F260-Q369 HydrophobicContact CE2-CG 3.98Å; F260-R370 PolarHBondContact N-O 3.47Å; F260-R370 VanDerWaalsContact N-O 3.15Å; F260-V371 HydrophobicContact CB-CG1 4.23Å; F260-V371 HydrophobicContact CB-CG2 4.32Å; F260-V371 HydrophobicContact CD2-CG2 4.31Å; F260-V371 WeakPolarHBondContact O-CA 3.49Å; F260-G372 PolarHBondContact O-N 3.16Å
261L98.9Very high97.1Very high2 Ų229.4 Ų29.41%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-128.8128.5174.9-76.4164.6000110L255 F258 F263 L278 K331 G372L255-L261 HydrophobicContact CD2-CD1 3.37Å; F258-L261 HydrophobicContact CB-CD2 4.13Å; F258-L261 HydrophobicContact CB-CG 4.01Å; F258-L261 HydrophobicContact CD1-CD2 4.36Å; F258-L261 HydrophobicContact CD2-CD1 4.47Å; F258-L261 HydrophobicContact CD2-CD2 3.53Å; F258-L261 HydrophobicContact CD2-CG 4.21Å; F258-L261 HydrophobicContact CE2-CD2 3.89Å; F258-L261 HydrophobicContact CG-CD2 3.77Å; F258-L261 HydrophobicContact CG-CG 4.22Å; F258-L261 HydrophobicContact CZ-CD2 4.48Å; L261-F263 HydrophobicContact CB-CE2 3.64Å; L261-F263 HydrophobicContact CB-CZ 4.1Å; L261-F263 HydrophobicContact CD1-CZ 4.5Å; L261-F263 HydrophobicContact CD2-CZ 4.5Å; L261-L278 HydrophobicContact CD1-CD1 4.19Å; L261-L278 HydrophobicContact CD2-CD1 4.42Å; L261-K331 PolarHBondContact N-O 2.97Å; L261-G372 WeakPolarHBondContact CA-O 3.33Å
262V98.9Very high97.6Very high0 Ų026.5 Ų26.50%013%0.133CC..EExtended strand (participates in β ladder)trans-123.4137.6-179.6178.50000107.8V350 C353 L354 L357 V371 G372 L373 F374V262-V350 HydrophobicContact CG1-CG2 4Å; V262-V350 VanDerWaalsContact CG1-O 3.23Å; V262-V350 WeakPolarHBondContact CG1-O 3.49Å; V262-C353 HydrophobicContact CG1-CB 3.57Å; V262-L354 HydrophobicContact CG1-CB 4.34Å; V262-L357 HydrophobicContact CG2-CD2 4Å; V262-V371 HydrophobicContact CG2-CG1 3.81Å; V262-G372 PolarHBondContact N-O 3.14Å; V262-L373 HydrophobicContact CB-CG 4.2Å; V262-L373 HydrophobicContact CG1-CD2 4.47Å; V262-L373 CarbonylContact O-C 3.58Å; V262-L373 VanDerWaalsContact O-CA 3.3Å; V262-L373 WeakPolarHBondContact O-CA 3.5Å; V262-F374 PolarHBondContact O-N 2.85Å
263F98.9Very high98Very high1 Ų122.7 Ų22.70%0.00412%0.115CC..EExtended strand (participates in β ladder)trans-128.6152.9-176.1-62.1-97.7000109.9L229 L261 S265 V271 V275 L278 T332 F374L229-F263 HydrophobicContact CD1-CE1 4.08Å; L229-F263 HydrophobicContact CD2-CE1 4.39Å; L261-F263 HydrophobicContact CB-CE2 3.64Å; L261-F263 HydrophobicContact CB-CZ 4.1Å; L261-F263 HydrophobicContact CD1-CZ 4.5Å; L261-F263 HydrophobicContact CD2-CZ 4.5Å; F263-S265 PolarHBondContact O-N 2.86Å; F263-V271 HydrophobicContact CB-CG1 4Å; F263-V271 HydrophobicContact CB-CG2 4.05Å; F263-V271 HydrophobicContact CD2-CG1 3.54Å; F263-V271 HydrophobicContact CE2-CG1 4.25Å; F263-V271 HydrophobicContact CG-CG1 3.97Å; F263-V275 HydrophobicContact CE2-CG2 3.74Å; F263-V275 HydrophobicContact CZ-CG2 4Å; F263-L278 HydrophobicContact CE1-CD1 4.06Å; F263-L278 HydrophobicContact CZ-CD1 3.79Å; F263-T332 HydrophobicContact CD2-CG2 3.97Å; F263-T332 HydrophobicContact CE2-CG2 3.93Å; F263-F374 CarbonylContact C-O 3.57Å; F263-F374 WeakPolarHBondContact CA-O 3.19Å; F263-F374 HydrophobicContact CD1-CB 3.66Å; F263-F374 AromaticContact CD1-CD1 3.98Å; F263-F374 HydrophobicContact CD1-CD1 3.98Å; F263-F374 HydrophobicContact CD1-CG 4.21Å; F263-F374 HydrophobicContact CE1-CB 4.13Å; F263-F374 HydrophobicContact CG-CB 4.44Å
264H98.9Very high98.2Very high6 Ų622 Ų223%0.02811%0.112CC..  trans-53.8126.2153.3173.853.2000108Y225 P266 S349 V350 F374Y225-H264 HydrophobicContact CE2-CB 4.47Å; Y225-H264 AromaticContact CE2-CD2 4Å; Y225-H264 PolarHBondContact OH-O 3.07Å; Y225-H264 VanDerWaalsContact OH-O 3.05Å; H264-P266 WeakPolarHBondContact NE2-CG 3.49Å; H264-P266 VanDerWaalsContact O-CD 3.32Å; H264-P266 WeakPolarHBondContact O-CD 3.21Å; H264-S349 WeakPolarHBondContact ND1-CB 3.43Å; H264-V350 HydrophobicContact CB-CB 4.47Å; H264-F374 PolarHBondContact N-O 2.74Å
265S98.7Very high98.4Very high0 Ų020.7 Ų20.70%010%0.103CC..  trans-118.590.3-175.1-171.50000110.3F263 V271 S339 S349F263-S265 PolarHBondContact O-N 2.86Å; S265-V271 WeakPolarHBondContact OG-CG2 3.29Å; S265-S339 WeakPolarHBondContact CB-OG 3.48Å; S265-S339 WeakPolarHBondContact OG-CB 3.35Å; S265-S339 PolarHBondContact OG-OG 2.85Å; S265-S349 PolarHBondContact N-OG 3.12Å; S265-S349 PolarHBondContact O-OG 2.86Å
266P97.6Very high98.5Very high20 Ų2020.7 Ų20.713%0.1310%0.103CC..SBendtrans-61.3-38.4165.8-21.832.2000111.6H264 L270H264-P266 WeakPolarHBondContact NE2-CG 3.49Å; H264-P266 VanDerWaalsContact O-CD 3.32Å; H264-P266 WeakPolarHBondContact O-CD 3.21Å; P266-L270 HydrophobicContact CG-CD2 3.93Å
267Y98.6Very high98.7Very high44 Ų4415.9 Ų15.917%0.1738%0.076CC..SBendtrans-164.2151.3172.152.2-90.1000109.1L51 T171 K269 L270L51-Y267 HydrophobicContact CB-CD2 4.39Å; L51-Y267 HydrophobicContact CB-CG 4.45Å; L51-Y267 HydrophobicContact CD2-CD1 4.5Å; L51-Y267 HydrophobicContact CD2-CD2 4.07Å; L51-Y267 HydrophobicContact CD2-CE2 4.31Å; L51-Y267 HydrophobicContact CD2-CG 4.18Å; T171-Y267 HydrophobicContact CG2-CD1 3.96Å; T171-Y267 HydrophobicContact CG2-CG 4.49Å; Y267-K269 VanDerWaalsContact C-N 3.28Å; Y267-K269 HydrophobicContact CD2-CB 3.87Å; Y267-K269 HydrophobicContact CE2-CB 4.03Å; Y267-K269 PolarHBondContact O-N 3.03Å; Y267-K269 VanDerWaalsContact O-N 3.17Å; Y267-L270 HydrophobicContact CD2-CB 4.01Å; Y267-L270 HydrophobicContact CE1-CB 4.33Å; Y267-L270 HydrophobicContact CE2-CB 3.57Å; Y267-L270 PolarHBondContact O-N 3Å; Y267-L270 VanDerWaalsContact O-N 3.12Å
268C98.8Very high98.7Very high12 Ų1215.2 Ų15.28%0.0817%0.073CC..Hα-helixtrans-60.2-33.2-168.6-67.50000114.1L51 G52 Q53 L270 V271 Q272 L336L51-C268 PolarHBondContact O-N 2.8Å; G52-C268 WeakPolarHBondContact O-CB 3.07Å; G52-C268 PolarHBondContact O-SG 2.81Å; Q53-C268 PolarHBondContact OE1-SG 3.08Å; C268-L270 VanDerWaalsContact C-N 3.34Å; C268-L270 PolarHBondContact O-N 2.75Å; C268-V271 PolarHBondContact O-N 2.76Å; C268-Q272 PolarHBondContact O-N 2.84Å; C268-Q272 VanDerWaalsContact O-N 3.12Å; C268-L336 HydrophobicContact CB-CD1 4.1Å
269K98.6Very high98.6Very high50 Ų5015.5 Ų15.522%0.2177%0.074CC..Hα-helixtrans-62.5-38.5178.3-176.662.358.6179.30112.6V49 G50 L51 Y267 V271 Q272 K273 M321V49-K269 VanDerWaalsContact O-CE 3.3Å; V49-K269 WeakPolarHBondContact O-CE 3.42Å; G50-K269 WeakPolarHBondContact O-CB 3.27Å; G50-K269 VanDerWaalsContact O-CG 3.29Å; G50-K269 WeakPolarHBondContact O-CG 3.23Å; L51-K269 WeakPolarHBondContact O-CB 3.42Å; L51-K269 PolarHBondContact O-N 2.93Å; Y267-K269 VanDerWaalsContact C-N 3.28Å; Y267-K269 HydrophobicContact CD2-CB 3.87Å; Y267-K269 HydrophobicContact CE2-CB 4.03Å; Y267-K269 PolarHBondContact O-N 3.03Å; Y267-K269 VanDerWaalsContact O-N 3.17Å; K269-V271 VanDerWaalsContact C-N 3.29Å; K269-V271 PolarHBondContact O-N 2.58Å; K269-Q272 PolarHBondContact O-N 3.44Å; K269-K273 WeakPolarHBondContact O-CG 3.32Å; K269-K273 PolarHBondContact O-N 2.98Å; K269-M321 HydrophobicContact CD-CE 4.12Å
270L98.8Very high98.6Very high5 Ų513.1 Ų13.13%0.0266%0.061CC..Hα-helixtrans-65.5-36.8178.3-176.259.7000111.1V222 Y225 L226 P266 Y267 C268 K273 S274V222-L270 HydrophobicContact CG1-CD1 4.17Å; Y225-L270 HydrophobicContact CD1-CD1 4.3Å; Y225-L270 HydrophobicContact CD1-CD2 4.07Å; Y225-L270 HydrophobicContact CD1-CG 4.22Å; Y225-L270 HydrophobicContact CD2-CD2 4.04Å; Y225-L270 HydrophobicContact CE1-CD2 4.29Å; Y225-L270 HydrophobicContact CE1-CG 4.21Å; Y225-L270 HydrophobicContact CE2-CD2 4.22Å; Y225-L270 HydrophobicContact CG-CD2 3.97Å; L226-L270 HydrophobicContact CD2-CD1 4.49Å; P266-L270 HydrophobicContact CG-CD2 3.93Å; Y267-L270 HydrophobicContact CD2-CB 4.01Å; Y267-L270 HydrophobicContact CE1-CB 4.33Å; Y267-L270 HydrophobicContact CE2-CB 3.57Å; Y267-L270 PolarHBondContact O-N 3Å; Y267-L270 VanDerWaalsContact O-N 3.12Å; C268-L270 VanDerWaalsContact C-N 3.34Å; C268-L270 PolarHBondContact O-N 2.75Å; L270-K273 CarbonylContact O-C 3.51Å; L270-K273 PolarHBondContact O-N 3.27Å; L270-S274 WeakPolarHBondContact O-CB 3.23Å; L270-S274 PolarHBondContact O-N 2.91Å; L270-S274 PolarHBondContact O-OG 2.69Å
271V98.9Very high98.5Very high0 Ų012.9 Ų12.90%06%0.061CC..Hα-helixtrans-64.7-42.3175.6-1800000111.3F263 S265 C268 K269 K273 S274 V275 T332 L336F263-V271 HydrophobicContact CB-CG1 4Å; F263-V271 HydrophobicContact CB-CG2 4.05Å; F263-V271 HydrophobicContact CD2-CG1 3.54Å; F263-V271 HydrophobicContact CE2-CG1 4.25Å; F263-V271 HydrophobicContact CG-CG1 3.97Å; S265-V271 WeakPolarHBondContact OG-CG2 3.29Å; C268-V271 PolarHBondContact O-N 2.76Å; K269-V271 VanDerWaalsContact C-N 3.29Å; K269-V271 PolarHBondContact O-N 2.58Å; V271-K273 VanDerWaalsContact C-N 3.32Å; V271-K273 PolarHBondContact O-N 3.09Å; V271-S274 VanDerWaalsContact O-CB 3.29Å; V271-S274 WeakPolarHBondContact O-CB 3.45Å; V271-S274 PolarHBondContact O-N 3.05Å; V271-V275 PolarHBondContact O-N 3.19Å; V271-V275 VanDerWaalsContact O-N 3.13Å; V271-T332 HydrophobicContact CG1-CG2 3.55Å; V271-L336 HydrophobicContact CB-CD1 4.26Å; V271-L336 HydrophobicContact CB-CD2 3.99Å; V271-L336 HydrophobicContact CG1-CD1 4.22Å; V271-L336 HydrophobicContact CG1-CD2 3.95Å; V271-L336 HydrophobicContact CG1-CG 4.47Å; V271-L336 HydrophobicContact CG2-CD2 3.93Å
272Q98.8Very high98.4Very high43 Ų4313.8 Ų13.820%0.2017%0.065CC..Hα-helixtrans-58.6-44173.5-167.1-176.51800111.9C268 K269 S274 V275 A276 M321 F328C268-Q272 PolarHBondContact O-N 2.84Å; C268-Q272 VanDerWaalsContact O-N 3.12Å; K269-Q272 PolarHBondContact O-N 3.44Å; Q272-S274 VanDerWaalsContact C-N 3.28Å; Q272-S274 PolarHBondContact O-N 3.13Å; Q272-V275 PolarHBondContact O-N 3.05Å; Q272-A276 PolarHBondContact O-N 3.43Å; Q272-M321 HydrophobicContact CB-CE 4.4Å; Q272-M321 HydrophobicContact CG-CE 3.79Å; Q272-M321 VanDerWaalsContact OE1-CE 3.26Å; Q272-F328 HydrophobicContact CB-CD2 4.15Å; Q272-F328 HydrophobicContact CB-CE2 3.77Å; Q272-F328 HydrophobicContact CB-CZ 3.99Å; Q272-F328 HydrophobicContact CG-CD1 4.21Å; Q272-F328 HydrophobicContact CG-CD2 4.02Å; Q272-F328 HydrophobicContact CG-CE1 4.2Å; Q272-F328 HydrophobicContact CG-CE2 4.02Å; Q272-F328 HydrophobicContact CG-CG 4.11Å; Q272-F328 HydrophobicContact CG-CZ 4.1Å
273K98.8Very high98.2Very high50 Ų5013.8 Ų13.822%0.2177%0.066CC..Hα-helixtrans-64.3-32.3174.3-67.2-178.9-179.7-152.50112.5K269 L270 V271 A276 R277 E317 M321K269-K273 WeakPolarHBondContact O-CG 3.32Å; K269-K273 PolarHBondContact O-N 2.98Å; L270-K273 CarbonylContact O-C 3.51Å; L270-K273 PolarHBondContact O-N 3.27Å; V271-K273 VanDerWaalsContact C-N 3.32Å; V271-K273 PolarHBondContact O-N 3.09Å; K273-A276 WeakPolarHBondContact O-CB 3.39Å; K273-A276 PolarHBondContact O-N 3.32Å; K273-R277 WeakPolarHBondContact O-CB 3.42Å; K273-R277 PolarHBondContact O-N 3.37Å; K273-E317 WeakPolarHBondContact CD-OE2 3.47Å; K273-E317 WeakPolarHBondContact CE-OE1 3.38Å; K273-E317 WeakPolarHBondContact CE-OE2 3.49Å; K273-E317 IonicContact NZ-OE1 3.36Å; K273-E317 PolarHBondContact NZ-OE1 3Å; K273-E317 IonicContact NZ-OE2 3.28Å; K273-E317 PolarHBondContact NZ-OE2 3.22Å; K273-M321 HydrophobicContact CG-SD 4Å
274S98.9Very high98Very high0 Ų015.9 Ų15.90%08%0.076CC..Hα-helixtrans-66.5-41.6179.4-57.20000111.9Y225 L270 V271 Q272 R277 L278Y225-S274 VanDerWaalsContact CE1-OG 3.23Å; Y225-S274 WeakPolarHBondContact CE1-OG 3.37Å; L270-S274 WeakPolarHBondContact O-CB 3.23Å; L270-S274 PolarHBondContact O-N 2.91Å; L270-S274 PolarHBondContact O-OG 2.69Å; V271-S274 VanDerWaalsContact O-CB 3.29Å; V271-S274 WeakPolarHBondContact O-CB 3.45Å; V271-S274 PolarHBondContact O-N 3.05Å; Q272-S274 VanDerWaalsContact C-N 3.28Å; Q272-S274 PolarHBondContact O-N 3.13Å; S274-R277 WeakPolarHBondContact O-CB 3.47Å; S274-R277 PolarHBondContact O-N 3.47Å; S274-L278 WeakPolarHBondContact O-CG 3.34Å; S274-L278 PolarHBondContact O-N 3.49Å
275V98.8Very high97.6Very high1 Ų122.2 Ų22.21%0.00610%0.104CC..Hα-helixtrans-63.7-44.5174.2-179.40000110.8F263 V271 Q272 R277 L278 M279 L327 F328 T332F263-V275 HydrophobicContact CE2-CG2 3.74Å; F263-V275 HydrophobicContact CZ-CG2 4Å; V271-V275 PolarHBondContact O-N 3.19Å; V271-V275 VanDerWaalsContact O-N 3.13Å; Q272-V275 PolarHBondContact O-N 3.05Å; V275-R277 PolarHBondContact O-N 2.84Å; V275-L278 PolarHBondContact O-N 3.36Å; V275-M279 PolarHBondContact O-N 2.98Å; V275-L327 HydrophobicContact CG1-CB 4.47Å; V275-F328 HydrophobicContact CB-CD2 4.5Å; V275-F328 HydrophobicContact CG1-CB 4.38Å; V275-F328 HydrophobicContact CG2-CD2 4.05Å; V275-T332 HydrophobicContact CG2-CG2 3.95Å; V275-T332 WeakPolarHBondContact CG2-OG1 3.44Å
276A98.6Very high97.1Very high4 Ų426.8 Ų26.83%0.03313%0.125CC..Hα-helixtrans-58-38.9173.500000112Q272 K273 M279 L280 F320 M321 S324Q272-A276 PolarHBondContact O-N 3.43Å; K273-A276 WeakPolarHBondContact O-CB 3.39Å; K273-A276 PolarHBondContact O-N 3.32Å; A276-M279 WeakPolarHBondContact O-CB 3.45Å; A276-M279 PolarHBondContact O-N 3.49Å; A276-L280 PolarHBondContact O-N 3.49Å; A276-F320 HydrophobicContact CB-CB 4.01Å; A276-M321 HydrophobicContact CB-CB 4.44Å; A276-M321 HydrophobicContact CB-CG 3.84Å; A276-S324 WeakPolarHBondContact CA-OG 3.15Å; A276-S324 WeakPolarHBondContact CB-OG 3.38Å
277R98.7Very high96.3Very high14 Ų1430.8 Ų30.85%0.05315%0.151CC..Hα-helixtrans-66.7-39.5177.8-174.458.8175.6-163.6-1113L226 L229 D230 K273 S274 V275 M279 L280 N281 P307 T310L226-R277 HydrophobicContact CD2-CB 4.22Å; L226-R277 HydrophobicContact CD2-CG 4.22Å; L229-R277 HydrophobicContact CD2-CB 4.29Å; L229-R277 HydrophobicContact CD2-CG 4.39Å; D230-R277 WeakPolarHBondContact OD1-CG 3.12Å; D230-R277 IonicContact OD1-CZ 2.68Å; D230-R277 IonicContact OD1-NE 2.66Å; D230-R277 PolarHBondContact OD1-NE 2.69Å; D230-R277 IonicContact OD1-NH2 3.4Å; D230-R277 IonicContact OD2-CZ 3.44Å; D230-R277 IonicContact OD2-NE 2.72Å; D230-R277 PolarHBondContact OD2-NE 2.63Å; D230-R277 VanDerWaalsContact OD2-NE 3.15Å; D230-R277 IonicContact OD2-NH2 2.65Å; D230-R277 PolarHBondContact OD2-NH2 3.4Å; K273-R277 WeakPolarHBondContact O-CB 3.42Å; K273-R277 PolarHBondContact O-N 3.37Å; S274-R277 WeakPolarHBondContact O-CB 3.47Å; S274-R277 PolarHBondContact O-N 3.47Å; V275-R277 PolarHBondContact O-N 2.84Å; R277-M279 VanDerWaalsContact C-N 3.31Å; R277-L280 VanDerWaalsContact NH1-CD2 3.29Å; R277-L280 WeakPolarHBondContact O-CB 3.35Å; R277-L280 PolarHBondContact O-N 3.33Å; R277-N281 PolarHBondContact O-N 3.4Å; R277-N281 PolarHBondContact O-ND2 3.42Å; R277-P307 VanDerWaalsContact NH2-CA 3.31Å; R277-P307 VanDerWaalsContact NH2-CB 3.33Å; R277-P307 PolarHBondContact NH2-O 2.89Å; R277-T310 PolarHBondContact NH1-OG1 2.81Å
278L98.6Very high95.6Very high0 Ų032.9 Ų32.90%017%0.172CC..Hα-helixtrans-64.3-38172.8-67.4-179.9000111.5L229 Y233 L255 L261 F263 S274 V275 L280 N281 D282L229-L278 HydrophobicContact CD1-CD2 3.83Å; L229-L278 HydrophobicContact CD1-CG 4.35Å; L229-L278 HydrophobicContact CD2-CD2 4.22Å; L229-L278 HydrophobicContact CD2-CG 4.21Å; L229-L278 HydrophobicContact CG-CD2 3.86Å; L229-L278 HydrophobicContact CG-CG 4.38Å; Y233-L278 HydrophobicContact CD1-CD2 3.54Å; Y233-L278 HydrophobicContact CD2-CD2 3.9Å; Y233-L278 HydrophobicContact CE1-CD2 4.06Å; Y233-L278 HydrophobicContact CE2-CD2 4.38Å; Y233-L278 HydrophobicContact CG-CD2 3.45Å; Y233-L278 VanDerWaalsContact CG-CD2 3.45Å; L255-L278 HydrophobicContact CD1-CB 4.02Å; L255-L278 HydrophobicContact CD2-CB 3.7Å; L255-L278 HydrophobicContact CD2-CD1 3.83Å; L255-L278 HydrophobicContact CD2-CG 4.43Å; L255-L278 HydrophobicContact CG-CB 4.1Å; L261-L278 HydrophobicContact CD1-CD1 4.19Å; L261-L278 HydrophobicContact CD2-CD1 4.42Å; F263-L278 HydrophobicContact CE1-CD1 4.06Å; F263-L278 HydrophobicContact CZ-CD1 3.79Å; S274-L278 WeakPolarHBondContact O-CG 3.34Å; S274-L278 PolarHBondContact O-N 3.49Å; V275-L278 PolarHBondContact O-N 3.36Å; L278-L280 VanDerWaalsContact C-N 3.33Å; L278-L280 PolarHBondContact O-N 2.9Å; L278-N281 WeakPolarHBondContact O-CA 3.25Å; L278-N281 WeakPolarHBondContact O-CB 3.39Å; L278-N281 PolarHBondContact O-N 2.62Å; L278-N281 VanDerWaalsContact O-N 3.07Å; L278-D282 PolarHBondContact O-N 2.7Å
279M97.3Very high94.7Very high6 Ų632.6 Ų32.63%0.0317%0.17CC..Hα-helixtrans-65.6-36.8176.5-174.1174.3-174.100112L255 V275 A276 R277 N281 D282 F283 P295 F296 F320 A323 S324 L327L255-M279 HydrophobicContact CD1-CB 3.73Å; L255-M279 HydrophobicContact CD1-CG 4.47Å; V275-M279 PolarHBondContact O-N 2.98Å; A276-M279 WeakPolarHBondContact O-CB 3.45Å; A276-M279 PolarHBondContact O-N 3.49Å; R277-M279 VanDerWaalsContact C-N 3.31Å; M279-N281 VanDerWaalsContact C-N 3.34Å; M279-D282 PolarHBondContact O-N 2.82Å; M279-F283 WeakPolarHBondContact O-CB 3.34Å; M279-F283 PolarHBondContact O-N 3.23Å; M279-P295 HydrophobicContact CE-CB 3.78Å; M279-F296 HydrophobicContact CE-CD1 3.94Å; M279-F296 HydrophobicContact CE-CE1 3.43Å; M279-F296 VanDerWaalsContact CE-CE1 3.43Å; M279-F296 HydrophobicContact CE-CZ 4.02Å; M279-F296 HydrophobicContact CG-CE1 3.72Å; M279-F296 HydrophobicContact CG-CZ 4.18Å; M279-F296 HydrophobicContact SD-CE1 4.39Å; M279-F320 HydrophobicContact CB-CD1 4.2Å; M279-F320 HydrophobicContact CG-CD1 4.05Å; M279-F320 HydrophobicContact CG-CE1 4.46Å; M279-A323 HydrophobicContact CE-CB 3.58Å; M279-A323 VanDerWaalsContact SD-C 3.54Å; M279-A323 HydrophobicContact SD-CB 3.8Å; M279-S324 VanDerWaalsContact SD-CA 3.55Å; M279-S324 VanDerWaalsContact SD-CB 3.57Å; M279-S324 PolarHBondContact SD-N 2.66Å; M279-S324 VanDerWaalsContact SD-N 3.4Å; M279-L327 HydrophobicContact SD-CD1 4.38Å
280L97.5Very high93.8Very high3 Ų334.1 Ų34.12%0.01618%0.181CC..Hα-helixtrans-60.7-43.2168.7174.467.9000111.6A276 R277 L278 D282 F283 L284 V305 V316 F320A276-L280 PolarHBondContact O-N 3.49Å; R277-L280 VanDerWaalsContact NH1-CD2 3.29Å; R277-L280 WeakPolarHBondContact O-CB 3.35Å; R277-L280 PolarHBondContact O-N 3.33Å; L278-L280 VanDerWaalsContact C-N 3.33Å; L278-L280 PolarHBondContact O-N 2.9Å; L280-D282 VanDerWaalsContact C-N 3.28Å; L280-D282 PolarHBondContact O-N 3.39Å; L280-F283 HydrophobicContact CD1-CD1 4.5Å; L280-F283 PolarHBondContact O-N 3.12Å; L280-L284 HydrophobicContact CD1-CD1 3.77Å; L280-L284 HydrophobicContact CD1-CD2 4.41Å; L280-L284 HydrophobicContact CD1-CG 3.87Å; L280-L284 HydrophobicContact CG-CD1 3.87Å; L280-L284 HydrophobicContact CG-CG 4.3Å; L280-L284 WeakPolarHBondContact O-CB 3.44Å; L280-L284 VanDerWaalsContact O-CG 3.31Å; L280-L284 WeakPolarHBondContact O-CG 3.45Å; L280-L284 PolarHBondContact O-N 3.35Å; L280-V305 HydrophobicContact CD1-CG2 4.25Å; L280-V316 HydrophobicContact CD1-CG1 4.33Å; L280-V316 HydrophobicContact CD2-CG1 3.84Å; L280-F320 HydrophobicContact CB-CD1 3.84Å; L280-F320 HydrophobicContact CB-CD2 4.37Å; L280-F320 HydrophobicContact CB-CE1 3.86Å; L280-F320 HydrophobicContact CB-CE2 4.39Å; L280-F320 HydrophobicContact CB-CG 4.1Å; L280-F320 HydrophobicContact CB-CZ 4.13Å; L280-F320 HydrophobicContact CD1-CD2 4.16Å; L280-F320 HydrophobicContact CD1-CE1 4.02Å; L280-F320 HydrophobicContact CD1-CE2 3.5Å; L280-F320 HydrophobicContact CD1-CZ 3.4Å; L280-F320 HydrophobicContact CG-CE2 4.49Å; L280-F320 HydrophobicContact CG-CZ 4.37Å
281N97.5Very high93.1Very high10 Ų1034.8 Ų34.85%0.05319%0.185CC..Hα-helixtrans-63.6-32.6176.9-86.6-95.5000113.3D230 Y233 R237 R277 L278 M279 K285D230-N281 PolarHBondContact OD1-ND2 3.12Å; Y233-N281 HydrophobicContact CD1-CB 3.71Å; Y233-N281 HydrophobicContact CE1-CB 3.86Å; R237-N281 PolarHBondContact NH1-O 3.02Å; R277-N281 PolarHBondContact O-N 3.4Å; R277-N281 PolarHBondContact O-ND2 3.42Å; L278-N281 WeakPolarHBondContact O-CA 3.25Å; L278-N281 WeakPolarHBondContact O-CB 3.39Å; L278-N281 PolarHBondContact O-N 2.62Å; L278-N281 VanDerWaalsContact O-N 3.07Å; M279-N281 VanDerWaalsContact C-N 3.34Å; N281-K285 VanDerWaalsContact O-CB 3.3Å; N281-K285 WeakPolarHBondContact O-CB 3.44Å; N281-K285 WeakPolarHBondContact O-CG 3.19Å; N281-K285 PolarHBondContact O-N 2.85Å
282D95.6Very high92Very high20 Ų2043.7 Ų43.711%0.10723%0.227CC..Hα-helixtrans-72.3-46.7174-75-9.5000110.7Y233 R237 S254 L255 L278 M279 L280 L284 K285 H286Y233-D282 WeakPolarHBondContact CE1-OD1 3.46Å; Y233-D282 VanDerWaalsContact CZ-OD1 3.32Å; Y233-D282 PolarHBondContact OH-OD1 3.18Å; Y233-D282 PolarHBondContact OH-OD2 3.01Å; R237-D282 IonicContact NH1-OD1 2.73Å; R237-D282 PolarHBondContact NH1-OD1 3.21Å; S254-D282 WeakPolarHBondContact CA-OD2 3.23Å; S254-D282 WeakPolarHBondContact CB-OD2 3.49Å; L255-D282 WeakPolarHBondContact CB-OD2 3.29Å; L255-D282 WeakPolarHBondContact CG-OD2 3.43Å; L255-D282 PolarHBondContact N-OD2 2.69Å; L278-D282 PolarHBondContact O-N 2.7Å; M279-D282 PolarHBondContact O-N 2.82Å; L280-D282 VanDerWaalsContact C-N 3.28Å; L280-D282 PolarHBondContact O-N 3.39Å; D282-L284 PolarHBondContact O-N 3.38Å; D282-K285 PolarHBondContact O-N 3.12Å; D282-H286 WeakPolarHBondContact O-CB 3.34Å; D282-H286 PolarHBondContact O-N 3.05Å
283F95.4Very high90.7Very high1 Ų144 Ų440%0.00424%0.237CC..Hα-helixtrans-53.5-51175.6175.6-107.3000112.3M279 L280 K285 H286 P289 T291 F296 F299 F302 F320M279-F283 WeakPolarHBondContact O-CB 3.34Å; M279-F283 PolarHBondContact O-N 3.23Å; L280-F283 HydrophobicContact CD1-CD1 4.5Å; L280-F283 PolarHBondContact O-N 3.12Å; F283-K285 VanDerWaalsContact C-N 3.28Å; F283-K285 PolarHBondContact O-N 2.9Å; F283-H286 PolarHBondContact O-N 3.01Å; F283-P289 HydrophobicContact CD2-CB 3.75Å; F283-P289 HydrophobicContact CD2-CG 3.86Å; F283-P289 HydrophobicContact CE2-CB 3.9Å; F283-P289 HydrophobicContact CE2-CG 3.7Å; F283-P289 HydrophobicContact CZ-CG 4.5Å; F283-T291 HydrophobicContact CE2-CG2 3.91Å; F283-T291 HydrophobicContact CZ-CG2 4.34Å; F283-F296 HydrophobicContact CB-CD1 4.04Å; F283-F296 HydrophobicContact CB-CE1 3.64Å; F283-F296 HydrophobicContact CB-CZ 3.9Å; F283-F296 HydrophobicContact CD2-CB 3.87Å; F283-F296 AromaticContact CD2-CD1 3.61Å; F283-F296 HydrophobicContact CD2-CD1 3.61Å; F283-F296 AromaticContact CD2-CD2 4Å; F283-F296 HydrophobicContact CD2-CD2 4Å; F283-F296 HydrophobicContact CD2-CE1 4.07Å; F283-F296 HydrophobicContact CD2-CE2 4.42Å; F283-F296 AromaticContact CD2-CG 3.56Å; F283-F296 HydrophobicContact CD2-CG 3.56Å; F283-F296 HydrophobicContact CD2-CZ 4.46Å; F283-F296 HydrophobicContact CE2-CB 3.98Å; F283-F296 HydrophobicContact CE2-CD1 4.46Å; F283-F296 HydrophobicContact CE2-CG 4.2Å; F283-F296 HydrophobicContact CG-CD1 4.13Å; F283-F296 HydrophobicContact CG-CE1 4.24Å; F283-F296 HydrophobicContact CG-CG 4.48Å; F283-F299 HydrophobicContact CE2-CB 3.86Å; F283-F299 HydrophobicContact CZ-CB 3.83Å; F283-F299 WeakPolarHBondContact CZ-O 3.26Å; F283-F302 HydrophobicContact CE1-CB 4.07Å; F283-F320 HydrophobicContact CB-CE1 3.84Å; F283-F320 HydrophobicContact CB-CZ 4.06Å; F283-F320 HydrophobicContact CD1-CE1 4.43Å; F283-F320 AromaticContact CD1-CZ 3.78Å; F283-F320 HydrophobicContact CD1-CZ 3.78Å; F283-F320 HydrophobicContact CE1-CZ 4.46Å; F283-F320 HydrophobicContact CG-CE1 4.21Å; F283-F320 AromaticContact CG-CZ 3.98Å; F283-F320 HydrophobicContact CG-CZ 3.98Å
284L94.4Very high89.6Confident44 Ų4444.2 Ų44.223%0.2325%0.253CS..Hα-helixtrans-70.7-21-177.8-66.3177.1000113.9L280 D282 V305 P307L280-L284 HydrophobicContact CD1-CD1 3.77Å; L280-L284 HydrophobicContact CD1-CD2 4.41Å; L280-L284 HydrophobicContact CD1-CG 3.87Å; L280-L284 HydrophobicContact CG-CD1 3.87Å; L280-L284 HydrophobicContact CG-CG 4.3Å; L280-L284 WeakPolarHBondContact O-CB 3.44Å; L280-L284 VanDerWaalsContact O-CG 3.31Å; L280-L284 WeakPolarHBondContact O-CG 3.45Å; L280-L284 PolarHBondContact O-N 3.35Å; D282-L284 PolarHBondContact O-N 3.38Å; L284-V305 HydrophobicContact CD1-CG2 4.35Å; L284-V305 HydrophobicContact CD2-CG2 4.15Å; L284-P307 HydrophobicContact CD1-CG 3.71Å
285K91.2Very high88.5Confident139 Ų13948.2 Ų48.260%0.60428%0.279SS*.Hα-helixtrans-98.8-12.5178.2-69-59.9-174.9-172.40113.5N281 D282 F283N281-K285 VanDerWaalsContact O-CB 3.3Å; N281-K285 WeakPolarHBondContact O-CB 3.44Å; N281-K285 WeakPolarHBondContact O-CG 3.19Å; N281-K285 PolarHBondContact O-N 2.85Å; D282-K285 PolarHBondContact O-N 3.12Å; F283-K285 VanDerWaalsContact C-N 3.28Å; F283-K285 PolarHBondContact O-N 2.9Å
286H87.7Confident87.9Confident97 Ų9749.4 Ų49.445%0.44928%0.284SS..  trans-71.3130.8176-163.8-77.1000109.2D282 F283 S288 P289D282-H286 WeakPolarHBondContact O-CB 3.34Å; D282-H286 PolarHBondContact O-N 3.05Å; F283-H286 PolarHBondContact O-N 3.01Å; H286-S288 VanDerWaalsContact C-N 3.31Å; H286-S288 PolarHBondContact CE1-O 3.28Å; H286-S288 VanDerWaalsContact CE1-O 3.25Å; H286-S288 PolarHBondContact ND1-N 3.44Å; H286-S288 PolarHBondContact ND1-O 3.03Å; H286-S288 PolarHBondContact O-N 2.71Å; H286-P289 HydrophobicContact CB-CB 4.11Å; H286-P289 HydrophobicContact CB-CG 4.36Å; H286-P289 WeakPolarHBondContact ND1-CA 3.46Å; H286-P289 VanDerWaalsContact O-CD 3.23Å; H286-P289 WeakPolarHBondContact O-CD 3.49Å
287P82Confident87.3Confident103 Ų10351.4 Ų51.467%0.66930%0.301SS*.SBendtrans-66.5-34.3-176.223.8-32.9000112.5R303P287-R303 PolarHBondContact O-NH2 2.66Å; P287-R303 VanDerWaalsContact O-NH2 3.09Å
288S82.4Confident86.7Confident89 Ų8953.4 Ų53.462%0.62233%0.325SS*.SBendtrans-144.768.3178-173.90000111.5H286 D290H286-S288 VanDerWaalsContact C-N 3.31Å; H286-S288 PolarHBondContact CE1-O 3.28Å; H286-S288 VanDerWaalsContact CE1-O 3.25Å; H286-S288 PolarHBondContact ND1-N 3.44Å; H286-S288 PolarHBondContact ND1-O 3.03Å; H286-S288 PolarHBondContact O-N 2.71Å; S288-D290 PolarHBondContact O-N 3.13Å
289P80.9Confident86.4Confident5 Ų554.4 Ų54.43%0.03233%0.33CS..  trans-59.6137.3176.424.8-35000109.2F283 H286 T291 F296 R303F283-P289 HydrophobicContact CD2-CB 3.75Å; F283-P289 HydrophobicContact CD2-CG 3.86Å; F283-P289 HydrophobicContact CE2-CB 3.9Å; F283-P289 HydrophobicContact CE2-CG 3.7Å; F283-P289 HydrophobicContact CZ-CG 4.5Å; H286-P289 HydrophobicContact CB-CB 4.11Å; H286-P289 HydrophobicContact CB-CG 4.36Å; H286-P289 WeakPolarHBondContact ND1-CA 3.46Å; H286-P289 VanDerWaalsContact O-CD 3.23Å; H286-P289 WeakPolarHBondContact O-CD 3.49Å; P289-T291 PolarHBondContact O-N 3.04Å; P289-T291 VanDerWaalsContact O-N 3.13Å; P289-F296 HydrophobicContact CB-CD2 3.96Å; P289-F296 HydrophobicContact CB-CE2 4.49Å; P289-R303 VanDerWaalsContact CD-CZ 3.47Å
290D78.3Confident86Confident82 Ų8258.6 Ų58.644%0.43935%0.352SS..  trans-71.1103.4176.5-174.1-1.5000109.4S288 E292 A293 F296S288-D290 PolarHBondContact O-N 3.13Å; D290-E292 PolarHBondContact OD1-N 3.35Å; D290-A293 VanDerWaalsContact O-O 3.08Å; D290-A293 PolarHBondContact OD1-N 2.65Å; D290-F296 CarbonylContact O-C 3.55Å; D290-F296 WeakPolarHBondContact O-CB 3.13Å
291T84.6Confident85.6Confident20 Ų2062.6 Ų62.612%0.12339%0.386CS..SBendtrans-96.2-2.7175.554.80000112.9F283 P289 F296 A297 G298 D300F283-T291 HydrophobicContact CE2-CG2 3.91Å; F283-T291 HydrophobicContact CZ-CG2 4.34Å; P289-T291 PolarHBondContact O-N 3.04Å; P289-T291 VanDerWaalsContact O-N 3.13Å; T291-F296 WeakPolarHBondContact CA-O 3.21Å; T291-A297 WeakPolarHBondContact O-CA 3.27Å; T291-G298 PolarHBondContact O-N 3.03Å; T291-D300 WeakPolarHBondContact CB-OD1 3.38Å; T291-D300 PolarHBondContact OG1-OD1 3.18Å
292E76.6Confident85.5Confident186 Ų18663.8 Ų63.887%0.86939%0.391SS*.SBendtrans-92.4-40.7178.3-61.6-174.5177.100111.1D290D290-E292 PolarHBondContact OD1-N 3.35Å
293A71Confident85.1Confident51 Ų5167.4 Ų67.442%0.42140%0.403SS..SBendtrans-137.6170.6177.900000111.8D290D290-A293 VanDerWaalsContact O-O 3.08Å; D290-A293 PolarHBondContact OD1-N 2.65Å
294G76.1Confident84.9Confident54 Ų5474.6 Ų74.656%0.55744%0.441SS*.G310 helixtrans77.6-158.5177.900000114.9F296 A297G294-F296 VanDerWaalsContact C-N 3.31Å; G294-F296 PolarHBondContact O-N 3.23Å; G294-A297 WeakPolarHBondContact O-CB 3.39Å; G294-A297 PolarHBondContact O-N 3.12Å
295P74.3Confident84.9Confident84 Ų8474.1 Ų74.155%0.54544%0.441SS..G310 helixtrans-74.3-14.8-166.628.5-34.8000114.9M279M279-P295 HydrophobicContact CE-CB 3.78Å
296F86.4Confident85Confident26 Ų2672.3 Ų72.311%0.11443%0.432CS..G310 helixtrans-109.414.8177.1-53.8-61.6000113M279 F283 P289 D290 T291 G294 G298 F299 F320M279-F296 HydrophobicContact CE-CD1 3.94Å; M279-F296 HydrophobicContact CE-CE1 3.43Å; M279-F296 VanDerWaalsContact CE-CE1 3.43Å; M279-F296 HydrophobicContact CE-CZ 4.02Å; M279-F296 HydrophobicContact CG-CE1 3.72Å; M279-F296 HydrophobicContact CG-CZ 4.18Å; M279-F296 HydrophobicContact SD-CE1 4.39Å; F283-F296 HydrophobicContact CB-CD1 4.04Å; F283-F296 HydrophobicContact CB-CE1 3.64Å; F283-F296 HydrophobicContact CB-CZ 3.9Å; F283-F296 HydrophobicContact CD2-CB 3.87Å; F283-F296 AromaticContact CD2-CD1 3.61Å; F283-F296 HydrophobicContact CD2-CD1 3.61Å; F283-F296 AromaticContact CD2-CD2 4Å; F283-F296 HydrophobicContact CD2-CD2 4Å; F283-F296 HydrophobicContact CD2-CE1 4.07Å; F283-F296 HydrophobicContact CD2-CE2 4.42Å; F283-F296 AromaticContact CD2-CG 3.56Å; F283-F296 HydrophobicContact CD2-CG 3.56Å; F283-F296 HydrophobicContact CD2-CZ 4.46Å; F283-F296 HydrophobicContact CE2-CB 3.98Å; F283-F296 HydrophobicContact CE2-CD1 4.46Å; F283-F296 HydrophobicContact CE2-CG 4.2Å; F283-F296 HydrophobicContact CG-CD1 4.13Å; F283-F296 HydrophobicContact CG-CE1 4.24Å; F283-F296 HydrophobicContact CG-CG 4.48Å; P289-F296 HydrophobicContact CB-CD2 3.96Å; P289-F296 HydrophobicContact CB-CE2 4.49Å; D290-F296 CarbonylContact O-C 3.55Å; D290-F296 WeakPolarHBondContact O-CB 3.13Å; T291-F296 WeakPolarHBondContact CA-O 3.21Å; G294-F296 VanDerWaalsContact C-N 3.31Å; G294-F296 PolarHBondContact O-N 3.23Å; F296-G298 PolarHBondContact O-N 2.88Å; F296-F299 HydrophobicContact CB-CB 4.29Å; F296-F299 HydrophobicContact CB-CD2 4.42Å; F296-F299 HydrophobicContact CB-CG 4.34Å; F296-F299 AromaticContact CD1-CD2 3.96Å; F296-F299 HydrophobicContact CD1-CD2 3.96Å; F296-F299 HydrophobicContact CD1-CE2 4.26Å; F296-F299 WeakPolarHBondContact O-CB 3.26Å; F296-F299 PolarHBondContact O-N 3.05Å; F296-F320 HydrophobicContact CD1-CE1 4.41Å; F296-F320 HydrophobicContact CE1-CE1 4.17Å
297A85.7Confident85.2Confident46 Ų4669.3 Ų69.338%0.3842%0.422SS..THydrogen-bonded Turntrans-54.6123177.800000111.4T291 G294T291-A297 WeakPolarHBondContact O-CA 3.27Å; G294-A297 WeakPolarHBondContact O-CB 3.39Å; G294-A297 PolarHBondContact O-N 3.12Å
298G86.4Confident85.7Confident55 Ų5569.7 Ų69.757%0.56742%0.415SS*.THydrogen-bonded Turntrans80.217.1-177.900000115.6T291 F296T291-G298 PolarHBondContact O-N 3.03Å; F296-G298 PolarHBondContact O-N 2.88Å
299F92.4Very high86.4Confident21 Ų2171.3 Ų71.39%0.09241%0.412CS..  trans-94.412.6-179.5-7630.9000113.2F283 F296 A301 F302 A319 F320 A323F283-F299 HydrophobicContact CE2-CB 3.86Å; F283-F299 HydrophobicContact CZ-CB 3.83Å; F283-F299 WeakPolarHBondContact CZ-O 3.26Å; F296-F299 HydrophobicContact CB-CB 4.29Å; F296-F299 HydrophobicContact CB-CD2 4.42Å; F296-F299 HydrophobicContact CB-CG 4.34Å; F296-F299 AromaticContact CD1-CD2 3.96Å; F296-F299 HydrophobicContact CD1-CD2 3.96Å; F296-F299 HydrophobicContact CD1-CE2 4.26Å; F296-F299 WeakPolarHBondContact O-CB 3.26Å; F296-F299 PolarHBondContact O-N 3.05Å; F299-A301 PolarHBondContact O-N 2.66Å; F299-A301 VanDerWaalsContact O-N 3.16Å; F299-F302 HydrophobicContact CB-CD2 3.99Å; F299-F302 HydrophobicContact CD1-CD2 4.45Å; F299-F302 HydrophobicContact CD1-CE2 4.49Å; F299-F302 HydrophobicContact CD2-CD2 4.11Å; F299-F302 AromaticContact CG-CD2 3.95Å; F299-F302 HydrophobicContact CG-CD2 3.95Å; F299-F302 HydrophobicContact CG-CE2 4.42Å; F299-F302 PolarHBondContact O-N 3.02Å; F299-A319 HydrophobicContact CE1-CB 4.33Å; F299-A319 HydrophobicContact CE2-CB 4.4Å; F299-A319 HydrophobicContact CZ-CB 3.92Å; F299-F320 HydrophobicContact CD2-CD1 4.48Å; F299-F320 HydrophobicContact CD2-CD2 4.45Å; F299-F320 AromaticContact CD2-CE1 3.8Å; F299-F320 HydrophobicContact CD2-CE1 3.8Å; F299-F320 AromaticContact CD2-CE2 3.77Å; F299-F320 HydrophobicContact CD2-CE2 3.77Å; F299-F320 AromaticContact CD2-CZ 3.41Å; F299-F320 HydrophobicContact CD2-CZ 3.41Å; F299-F320 VanDerWaalsContact CD2-CZ 3.41Å; F299-F320 AromaticContact CE2-CD1 3.83Å; F299-F320 HydrophobicContact CE2-CD1 3.83Å; F299-F320 AromaticContact CE2-CD2 3.91Å; F299-F320 HydrophobicContact CE2-CD2 3.91Å; F299-F320 AromaticContact CE2-CE1 3.59Å; F299-F320 HydrophobicContact CE2-CE1 3.59Å; F299-F320 AromaticContact CE2-CE2 3.68Å; F299-F320 HydrophobicContact CE2-CE2 3.68Å; F299-F320 AromaticContact CE2-CG 3.99Å; F299-F320 HydrophobicContact CE2-CG 3.99Å; F299-F320 AromaticContact CE2-CZ 3.53Å; F299-F320 HydrophobicContact CE2-CZ 3.53Å; F299-A323 HydrophobicContact CE2-CB 4.06Å; F299-A323 HydrophobicContact CZ-CB 3.6Å
300D88.6Confident87.1Confident94 Ų9471.5 Ų71.550%0.50341%0.413SS..G310 helixtrans-53.8-38.3-179.1-54.4-82.4000112.6T291 F302 R303T291-D300 WeakPolarHBondContact CB-OD1 3.38Å; T291-D300 PolarHBondContact OG1-OD1 3.18Å; D300-F302 PolarHBondContact O-N 3.09Å; D300-F302 VanDerWaalsContact O-N 3.14Å; D300-R303 WeakPolarHBondContact O-CB 3.43Å; D300-R303 PolarHBondContact O-N 3.02Å
301A90.8Very high88.1Confident88 Ų8869 Ų6973%0.72740%0.398SS*.G310 helixtrans-63.6-17.6178.200000113.9F299F299-A301 PolarHBondContact O-N 2.66Å; F299-A301 VanDerWaalsContact O-N 3.16Å
302F93.6Very high88.7Confident35 Ų3572.1 Ų72.115%0.15441%0.41CS..G310 helixtrans-100.3-0.9-178.4-53.4-57.5000113.5F283 F299 D300 D304 V305 V316 A319 F320F283-F302 HydrophobicContact CE1-CB 4.07Å; F299-F302 HydrophobicContact CB-CD2 3.99Å; F299-F302 HydrophobicContact CD1-CD2 4.45Å; F299-F302 HydrophobicContact CD1-CE2 4.49Å; F299-F302 HydrophobicContact CD2-CD2 4.11Å; F299-F302 AromaticContact CG-CD2 3.95Å; F299-F302 HydrophobicContact CG-CD2 3.95Å; F299-F302 HydrophobicContact CG-CE2 4.42Å; F299-F302 PolarHBondContact O-N 3.02Å; D300-F302 PolarHBondContact O-N 3.09Å; D300-F302 VanDerWaalsContact O-N 3.14Å; F302-D304 VanDerWaalsContact C-N 3.28Å; F302-D304 PolarHBondContact O-N 3.33Å; F302-V305 HydrophobicContact CB-CG1 4.41Å; F302-V305 HydrophobicContact CD1-CG1 4.47Å; F302-V305 VanDerWaalsContact O-CG2 3.24Å; F302-V305 WeakPolarHBondContact O-CG2 3.49Å; F302-V305 PolarHBondContact O-N 3.01Å; F302-V316 HydrophobicContact CD1-CG2 3.85Å; F302-V316 HydrophobicContact CE1-CG2 4.02Å; F302-A319 HydrophobicContact CD2-CB 4.43Å; F302-A319 HydrophobicContact CE2-CB 3.52Å; F302-A319 HydrophobicContact CZ-CB 3.74Å; F302-F320 HydrophobicContact CB-CE2 4.33Å; F302-F320 HydrophobicContact CD2-CE2 4.17Å; F302-F320 HydrophobicContact CG-CE2 4.3Å
303R88.8Confident89.7Confident95 Ų9566.1 Ų66.136%0.35838%0.384SS..THydrogen-bonded Turntrans-58.9-37-172.2-16680-178.9-134.6-2.7113.7P287 P289 D300P287-R303 PolarHBondContact O-NH2 2.66Å; P287-R303 VanDerWaalsContact O-NH2 3.09Å; P289-R303 VanDerWaalsContact CD-CZ 3.47Å; D300-R303 WeakPolarHBondContact O-CB 3.43Å; D300-R303 PolarHBondContact O-N 3.02Å
304D89.9Confident90.9Very high152 Ų15273.5 Ų73.581%0.81340%0.401SS*.THydrogen-bonded Turntrans-104.97.1-172.1-60.3-44.1000113.3F302F302-D304 VanDerWaalsContact C-N 3.28Å; F302-D304 PolarHBondContact O-N 3.33Å
305V94.6Very high91.8Very high35 Ų3576.4 Ų76.421%0.21240%0.404CS..  trans-67.9140.6178.2-53.90000110.1L280 L284 F302 T310L280-V305 HydrophobicContact CD1-CG2 4.25Å; L284-V305 HydrophobicContact CD1-CG2 4.35Å; L284-V305 HydrophobicContact CD2-CG2 4.15Å; F302-V305 HydrophobicContact CB-CG1 4.41Å; F302-V305 HydrophobicContact CD1-CG1 4.47Å; F302-V305 VanDerWaalsContact O-CG2 3.24Å; F302-V305 WeakPolarHBondContact O-CG2 3.49Å; F302-V305 PolarHBondContact O-N 3.01Å; V305-T310 HydrophobicContact CB-CG2 3.84Å; V305-T310 HydrophobicContact CG2-CG2 3.97Å
306K93.5Very high92.9Very high100 Ų10072.7 Ų72.744%0.43538%0.379SS..  trans-88131.4172.8-56.4-167.2-153.9126.20109.7E308 E309 T310K306-E308 HydrophobicContact CB-CG 4.24Å; K306-E308 PolarHBondContact O-N 3.46Å; K306-E309 HydrophobicContact CB-CB 4.39Å; K306-E309 HydrophobicContact CB-CG 4.2Å; K306-E309 IonicContact NZ-OE1 2.82Å; K306-E309 PolarHBondContact NZ-OE1 3.42Å; K306-E309 IonicContact NZ-OE2 3.6Å; K306-E309 PolarHBondContact O-N 3.06Å; K306-T310 WeakPolarHBondContact O-CG2 3.49Å; K306-T310 PolarHBondContact O-OG1 3.08Å
307P91.6Very high93.4Very high34 Ų3474.3 Ų74.322%0.22139%0.387CS..G310 helixtrans-48.5-46.3176.3-28.634.9000112.3R277 L284 E309 T310R277-P307 VanDerWaalsContact NH2-CA 3.31Å; R277-P307 VanDerWaalsContact NH2-CB 3.33Å; R277-P307 PolarHBondContact NH2-O 2.89Å; L284-P307 HydrophobicContact CD1-CG 3.71Å; P307-E309 PolarHBondContact O-N 3.1Å; P307-E309 VanDerWaalsContact O-N 3.12Å; P307-T310 PolarHBondContact O-N 3.43Å; P307-T310 PolarHBondContact O-OG1 2.87Å
308E94.1Very high93.9Very high112 Ų11279.7 Ų79.752%0.52340%0.402SS..G310 helixtrans-63.3-19.8-177.760-89.4-154.200115.1K306 Y311K306-E308 HydrophobicContact CB-CG 4.24Å; K306-E308 PolarHBondContact O-N 3.46Å; E308-Y311 VanDerWaalsContact CA-CE2 3.47Å; E308-Y311 HydrophobicContact CB-CE2 4.19Å; E308-Y311 VanDerWaalsContact O-CD2 3.32Å; E308-Y311 WeakPolarHBondContact O-CD2 3.33Å; E308-Y311 VanDerWaalsContact O-CE2 3.29Å; E308-Y311 WeakPolarHBondContact O-CE2 3.11Å
309E95.4Very high94.4Very high122 Ų12278 Ų7857%0.5738%0.383SS*.G310 helixtrans-94.1-4.5179.5-66.9169.1-173.300112.2K306 P307K306-E309 HydrophobicContact CB-CB 4.39Å; K306-E309 HydrophobicContact CB-CG 4.2Å; K306-E309 IonicContact NZ-OE1 2.82Å; K306-E309 PolarHBondContact NZ-OE1 3.42Å; K306-E309 IonicContact NZ-OE2 3.6Å; K306-E309 PolarHBondContact O-N 3.06Å; P307-E309 PolarHBondContact O-N 3.1Å; P307-E309 VanDerWaalsContact O-N 3.12Å
310T97.3Very high94.6Very high9 Ų977.2 Ų77.26%0.05538%0.379CS..  trans-114.65.6-167.453.90000115.3R277 V305 K306 P307 F312 D313 V316R277-T310 PolarHBondContact NH1-OG1 2.81Å; V305-T310 HydrophobicContact CB-CG2 3.84Å; V305-T310 HydrophobicContact CG2-CG2 3.97Å; K306-T310 WeakPolarHBondContact O-CG2 3.49Å; K306-T310 PolarHBondContact O-OG1 3.08Å; P307-T310 PolarHBondContact O-N 3.43Å; P307-T310 PolarHBondContact O-OG1 2.87Å; T310-F312 PolarHBondContact O-N 3.48Å; T310-F312 VanDerWaalsContact O-N 3.12Å; T310-D313 HydrophobicContact CG2-CB 4.4Å; T310-D313 PolarHBondContact O-N 2.71Å; T310-V316 HydrophobicContact CG2-CG2 3.92Å
311Y97.4Very high95.1Very high30 Ų3074.1 Ų74.112%0.11836%0.362CS..THydrogen-bonded Turntrans-59.7-26.4-177.4-59.7-59.2000114.3E223 L226 S227 D230 E308E223-Y311 HydrophobicContact CG-CD2 3.6Å; E223-Y311 HydrophobicContact CG-CE2 4.04Å; E223-Y311 HydrophobicContact CG-CG 4.1Å; L226-Y311 HydrophobicContact CB-CD1 3.68Å; L226-Y311 HydrophobicContact CB-CE1 4.05Å; L226-Y311 HydrophobicContact CD1-CD1 4.38Å; S227-Y311 WeakPolarHBondContact CA-OH 3.31Å; S227-Y311 WeakPolarHBondContact CB-OH 3.16Å; D230-Y311 WeakPolarHBondContact OD2-CE1 3.4Å; E308-Y311 VanDerWaalsContact CA-CE2 3.47Å; E308-Y311 HydrophobicContact CB-CE2 4.19Å; E308-Y311 VanDerWaalsContact O-CD2 3.32Å; E308-Y311 WeakPolarHBondContact O-CD2 3.33Å; E308-Y311 VanDerWaalsContact O-CE2 3.29Å; E308-Y311 WeakPolarHBondContact O-CE2 3.11Å
312F97.6Very high95.3Very high86 Ų8678.3 Ų78.338%0.37736%0.364SS..THydrogen-bonded Turntrans-125.613.4178-55.9-73.6000112.9K219 V222 E223 T310 R314K219-F312 HydrophobicContact CG-CE1 3.97Å; K219-F312 HydrophobicContact CG-CE2 3.94Å; K219-F312 HydrophobicContact CG-CZ 3.56Å; K219-F312 VanDerWaalsContact O-CZ 3.28Å; K219-F312 WeakPolarHBondContact O-CZ 3.43Å; V222-F312 HydrophobicContact CB-CE1 4.08Å; V222-F312 HydrophobicContact CB-CZ 4.3Å; V222-F312 HydrophobicContact CG1-CE1 3.92Å; V222-F312 HydrophobicContact CG1-CZ 4.4Å; E223-F312 HydrophobicContact CB-CE2 3.91Å; E223-F312 HydrophobicContact CB-CZ 3.92Å; E223-F312 HydrophobicContact CG-CE2 4.27Å; T310-F312 PolarHBondContact O-N 3.48Å; T310-F312 VanDerWaalsContact O-N 3.12Å; F312-R314 PolarHBondContact O-N 3.25Å
313D97.8Very high95.4Very high59 Ų5978 Ų7832%0.31637%0.368SS..  trans-72.7114.8175.4-174.1-45.1000109.2T310 D315 V316 E317T310-D313 HydrophobicContact CG2-CB 4.4Å; T310-D313 PolarHBondContact O-N 2.71Å; D313-D315 VanDerWaalsContact C-N 3.34Å; D313-D315 WeakPolarHBondContact OD1-CA 3.3Å; D313-D315 PolarHBondContact OD1-N 3.07Å; D313-V316 HydrophobicContact CB-CB 4.07Å; D313-V316 HydrophobicContact CB-CG2 4.07Å; D313-V316 PolarHBondContact OD1-N 3.29Å; D313-E317 VanDerWaalsContact O-CB 3.29Å; D313-E317 WeakPolarHBondContact O-CB 3.42Å; D313-E317 PolarHBondContact O-N 3.05Å
314R96.2Very high95.8Very high206 Ų20673.6 Ų73.678%0.77735%0.352SS*.Hα-helixtrans-72.5-28.1-174.7-64.4-173.370.3-172.42.1112.9F312 K318F312-R314 PolarHBondContact O-N 3.25Å; R314-K318 WeakPolarHBondContact O-CB 3.43Å; R314-K318 PolarHBondContact O-N 2.79Å
315D96.3Very high96.1Very high116 Ų11668.5 Ų68.562%0.6233%0.331SS*.Hα-helixtrans-76.1-43.9-179.6-68.3-32.8000109.6D313 K318 A319D313-D315 VanDerWaalsContact C-N 3.34Å; D313-D315 WeakPolarHBondContact OD1-CA 3.3Å; D313-D315 PolarHBondContact OD1-N 3.07Å; D315-K318 PolarHBondContact O-N 3.49Å; D315-A319 VanDerWaalsContact O-CB 3.25Å; D315-A319 WeakPolarHBondContact O-CB 3.4Å; D315-A319 PolarHBondContact O-N 3.01Å
316V97.1Very high96.3Very high5 Ų573.2 Ų73.23%0.0335%0.35CS..Hα-helixtrans-60.6-50.4170.9176.60000110.4L280 F302 T310 D313 K318 A319 F320L280-V316 HydrophobicContact CD1-CG1 4.33Å; L280-V316 HydrophobicContact CD2-CG1 3.84Å; F302-V316 HydrophobicContact CD1-CG2 3.85Å; F302-V316 HydrophobicContact CE1-CG2 4.02Å; T310-V316 HydrophobicContact CG2-CG2 3.92Å; D313-V316 HydrophobicContact CB-CB 4.07Å; D313-V316 HydrophobicContact CB-CG2 4.07Å; D313-V316 PolarHBondContact OD1-N 3.29Å; V316-K318 PolarHBondContact O-N 2.81Å; V316-A319 PolarHBondContact O-N 3.27Å; V316-F320 HydrophobicContact CG1-CD2 3.89Å; V316-F320 HydrophobicContact CG1-CE2 4.24Å; V316-F320 WeakPolarHBondContact O-CD2 3.38Å; V316-F320 PolarHBondContact O-N 2.94Å
317E97.1Very high96.5Very high60 Ų6070.1 Ų70.128%0.2834%0.338SS..Hα-helixtrans-55.2-51.3178.6177.917711800111.2K273 D313 A319 M321K273-E317 WeakPolarHBondContact CD-OE2 3.47Å; K273-E317 WeakPolarHBondContact CE-OE1 3.38Å; K273-E317 WeakPolarHBondContact CE-OE2 3.49Å; K273-E317 IonicContact NZ-OE1 3.36Å; K273-E317 PolarHBondContact NZ-OE1 3Å; K273-E317 IonicContact NZ-OE2 3.28Å; K273-E317 PolarHBondContact NZ-OE2 3.22Å; D313-E317 VanDerWaalsContact O-CB 3.29Å; D313-E317 WeakPolarHBondContact O-CB 3.42Å; D313-E317 PolarHBondContact O-N 3.05Å; E317-A319 PolarHBondContact O-N 2.76Å; E317-M321 HydrophobicContact CG-CG 4.19Å; E317-M321 HydrophobicContact CG-SD 3.66Å; E317-M321 WeakPolarHBondContact O-CB 3.39Å; E317-M321 WeakPolarHBondContact O-CG 3.07Å; E317-M321 PolarHBondContact O-N 2.81Å
318K96.4Very high96.8Very high160 Ų16069.5 Ų69.570%0.69633%0.333SS*.Hα-helixtrans-64.6-42.5-177.2-174.6-179.3179-175.30112.1R314 D315 V316 K322R314-K318 WeakPolarHBondContact O-CB 3.43Å; R314-K318 PolarHBondContact O-N 2.79Å; D315-K318 PolarHBondContact O-N 3.49Å; V316-K318 PolarHBondContact O-N 2.81Å; K318-K322 WeakPolarHBondContact O-CB 3.45Å; K318-K322 PolarHBondContact O-N 2.82Å; K318-K322 VanDerWaalsContact O-N 3.12Å
319A96.2Very high97Very high20 Ų2068.5 Ų68.517%0.16533%0.328CS..Hα-helixtrans-61.6-52.917900000110.9F299 F302 D315 V316 E317 K322 A323F299-A319 HydrophobicContact CE1-CB 4.33Å; F299-A319 HydrophobicContact CE2-CB 4.4Å; F299-A319 HydrophobicContact CZ-CB 3.92Å; F302-A319 HydrophobicContact CD2-CB 4.43Å; F302-A319 HydrophobicContact CE2-CB 3.52Å; F302-A319 HydrophobicContact CZ-CB 3.74Å; D315-A319 VanDerWaalsContact O-CB 3.25Å; D315-A319 WeakPolarHBondContact O-CB 3.4Å; D315-A319 PolarHBondContact O-N 3.01Å; V316-A319 PolarHBondContact O-N 3.27Å; E317-A319 PolarHBondContact O-N 2.76Å; A319-K322 WeakPolarHBondContact O-CB 3.33Å; A319-K322 PolarHBondContact O-N 3.32Å; A319-A323 PolarHBondContact O-N 2.93Å
320F97.3Very high97.1Very high3 Ų366.2 Ų66.21%0.01332%0.322CS..Hα-helixtrans-74.9-29.4-176.3-77.1-90.4000113.2A276 M279 L280 F283 F296 F299 F302 V316 K322 A323 S324A276-F320 HydrophobicContact CB-CB 4.01Å; M279-F320 HydrophobicContact CB-CD1 4.2Å; M279-F320 HydrophobicContact CG-CD1 4.05Å; M279-F320 HydrophobicContact CG-CE1 4.46Å; L280-F320 HydrophobicContact CB-CD1 3.84Å; L280-F320 HydrophobicContact CB-CD2 4.37Å; L280-F320 HydrophobicContact CB-CE1 3.86Å; L280-F320 HydrophobicContact CB-CE2 4.39Å; L280-F320 HydrophobicContact CB-CG 4.1Å; L280-F320 HydrophobicContact CB-CZ 4.13Å; L280-F320 HydrophobicContact CD1-CD2 4.16Å; L280-F320 HydrophobicContact CD1-CE1 4.02Å; L280-F320 HydrophobicContact CD1-CE2 3.5Å; L280-F320 HydrophobicContact CD1-CZ 3.4Å; L280-F320 HydrophobicContact CG-CE2 4.49Å; L280-F320 HydrophobicContact CG-CZ 4.37Å; F283-F320 HydrophobicContact CB-CE1 3.84Å; F283-F320 HydrophobicContact CB-CZ 4.06Å; F283-F320 HydrophobicContact CD1-CE1 4.43Å; F283-F320 AromaticContact CD1-CZ 3.78Å; F283-F320 HydrophobicContact CD1-CZ 3.78Å; F283-F320 HydrophobicContact CE1-CZ 4.46Å; F283-F320 HydrophobicContact CG-CE1 4.21Å; F283-F320 AromaticContact CG-CZ 3.98Å; F283-F320 HydrophobicContact CG-CZ 3.98Å; F296-F320 HydrophobicContact CD1-CE1 4.41Å; F296-F320 HydrophobicContact CE1-CE1 4.17Å; F299-F320 HydrophobicContact CD2-CD1 4.48Å; F299-F320 HydrophobicContact CD2-CD2 4.45Å; F299-F320 AromaticContact CD2-CE1 3.8Å; F299-F320 HydrophobicContact CD2-CE1 3.8Å; F299-F320 AromaticContact CD2-CE2 3.77Å; F299-F320 HydrophobicContact CD2-CE2 3.77Å; F299-F320 AromaticContact CD2-CZ 3.41Å; F299-F320 HydrophobicContact CD2-CZ 3.41Å; F299-F320 VanDerWaalsContact CD2-CZ 3.41Å; F299-F320 AromaticContact CE2-CD1 3.83Å; F299-F320 HydrophobicContact CE2-CD1 3.83Å; F299-F320 AromaticContact CE2-CD2 3.91Å; F299-F320 HydrophobicContact CE2-CD2 3.91Å; F299-F320 AromaticContact CE2-CE1 3.59Å; F299-F320 HydrophobicContact CE2-CE1 3.59Å; F299-F320 AromaticContact CE2-CE2 3.68Å; F299-F320 HydrophobicContact CE2-CE2 3.68Å; F299-F320 AromaticContact CE2-CG 3.99Å; F299-F320 HydrophobicContact CE2-CG 3.99Å; F299-F320 AromaticContact CE2-CZ 3.53Å; F299-F320 HydrophobicContact CE2-CZ 3.53Å; F302-F320 HydrophobicContact CB-CE2 4.33Å; F302-F320 HydrophobicContact CD2-CE2 4.17Å; F302-F320 HydrophobicContact CG-CE2 4.3Å; V316-F320 HydrophobicContact CG1-CD2 3.89Å; V316-F320 HydrophobicContact CG1-CE2 4.24Å; V316-F320 WeakPolarHBondContact O-CD2 3.38Å; V316-F320 PolarHBondContact O-N 2.94Å; F320-K322 VanDerWaalsContact C-N 3.32Å; F320-A323 PolarHBondContact O-N 2.83Å; F320-S324 VanDerWaalsContact O-CB 3.23Å; F320-S324 WeakPolarHBondContact O-CB 3.47Å; F320-S324 PolarHBondContact O-N 3.05Å; F320-S324 PolarHBondContact O-OG 2.67Å
321M97.4Very high97.2Very high30 Ų3067.1 Ų67.115%0.14833%0.325CS..Hα-helixtrans-63.9-38.2169.4-77.1-175.274.800111.9K269 Q272 K273 A276 E317 A325K269-M321 HydrophobicContact CD-CE 4.12Å; Q272-M321 HydrophobicContact CB-CE 4.4Å; Q272-M321 HydrophobicContact CG-CE 3.79Å; Q272-M321 VanDerWaalsContact OE1-CE 3.26Å; K273-M321 HydrophobicContact CG-SD 4Å; A276-M321 HydrophobicContact CB-CB 4.44Å; A276-M321 HydrophobicContact CB-CG 3.84Å; E317-M321 HydrophobicContact CG-CG 4.19Å; E317-M321 HydrophobicContact CG-SD 3.66Å; E317-M321 WeakPolarHBondContact O-CB 3.39Å; E317-M321 WeakPolarHBondContact O-CG 3.07Å; E317-M321 PolarHBondContact O-N 2.81Å; M321-A325 PolarHBondContact O-N 2.87Å
322K96.1Very high97.3Very high176 Ų17665.7 Ų65.777%0.76532%0.32SS*.Hα-helixtrans-67.6-47.2175.1-175.6-175.6176.3-170.30111K318 A319 F320 S324 A325K318-K322 WeakPolarHBondContact O-CB 3.45Å; K318-K322 PolarHBondContact O-N 2.82Å; K318-K322 VanDerWaalsContact O-N 3.12Å; A319-K322 WeakPolarHBondContact O-CB 3.33Å; A319-K322 PolarHBondContact O-N 3.32Å; F320-K322 VanDerWaalsContact C-N 3.32Å; K322-S324 PolarHBondContact O-N 3.43Å; K322-A325 WeakPolarHBondContact O-CB 3.47Å; K322-A325 PolarHBondContact O-N 3.25Å
323A95.4Very high97.3Very high29 Ų2966.1 Ų66.124%0.2432%0.322CS..Hα-helixtrans-67.4-34.6-178.100000113M279 F299 A319 F320 A325M279-A323 HydrophobicContact CE-CB 3.58Å; M279-A323 VanDerWaalsContact SD-C 3.54Å; M279-A323 HydrophobicContact SD-CB 3.8Å; F299-A323 HydrophobicContact CE2-CB 4.06Å; F299-A323 HydrophobicContact CZ-CB 3.6Å; A319-A323 PolarHBondContact O-N 2.93Å; F320-A323 PolarHBondContact O-N 2.83Å; A323-A325 VanDerWaalsContact C-N 3.34Å
324S97.1Very high97.4Very high1 Ų164.4 Ų64.41%0.00732%0.315CS..THydrogen-bonded Turntrans-86.31.6178.662.90000114.3A276 M279 F320 K322 Q326 L327 F328A276-S324 WeakPolarHBondContact CA-OG 3.15Å; A276-S324 WeakPolarHBondContact CB-OG 3.38Å; M279-S324 VanDerWaalsContact SD-CA 3.55Å; M279-S324 VanDerWaalsContact SD-CB 3.57Å; M279-S324 PolarHBondContact SD-N 2.66Å; M279-S324 VanDerWaalsContact SD-N 3.4Å; F320-S324 VanDerWaalsContact O-CB 3.23Å; F320-S324 WeakPolarHBondContact O-CB 3.47Å; F320-S324 PolarHBondContact O-N 3.05Å; F320-S324 PolarHBondContact O-OG 2.67Å; K322-S324 PolarHBondContact O-N 3.43Å; S324-Q326 VanDerWaalsContact C-N 3.34Å; S324-Q326 PolarHBondContact O-N 3.18Å; S324-L327 WeakPolarHBondContact O-CB 3.35Å; S324-L327 PolarHBondContact O-N 3.04Å; S324-L327 VanDerWaalsContact O-N 3.09Å; S324-F328 PolarHBondContact O-N 2.95Å
325A97.4Very high97.5Very high46 Ų4654.6 Ų54.638%0.3828%0.279SS..Hα-helixtrans-56.6-44.2-17200000113.1M321 K322 A323 F328 E329M321-A325 PolarHBondContact O-N 2.87Å; K322-A325 WeakPolarHBondContact O-CB 3.47Å; K322-A325 PolarHBondContact O-N 3.25Å; A323-A325 VanDerWaalsContact C-N 3.34Å; A325-F328 PolarHBondContact O-N 3.27Å; A325-E329 PolarHBondContact O-N 2.74Å
326Q97.1Very high97.6Very high133 Ų13349.7 Ų49.762%0.62125%0.252SS*.Hα-helixtrans-68.7-39.7178.2-172.961.329.200112S324 F328 E329 T330S324-Q326 VanDerWaalsContact C-N 3.34Å; S324-Q326 PolarHBondContact O-N 3.18Å; Q326-F328 VanDerWaalsContact C-N 3.34Å; Q326-E329 PolarHBondContact O-N 3.03Å; Q326-T330 VanDerWaalsContact NE2-CG2 3.33Å; Q326-T330 PolarHBondContact O-N 3.47Å; Q326-T330 PolarHBondContact O-OG1 3.2Å
327L97.6Very high97.7Very high35 Ų3550.5 Ų50.518%0.18326%0.256CS..Hα-helixtrans-63.4-41.3175.9-71.2171.3000111.3L255 V275 M279 S324 K331L255-L327 HydrophobicContact CB-CD1 4.5Å; L255-L327 HydrophobicContact CD1-CD1 4.11Å; V275-L327 HydrophobicContact CG1-CB 4.47Å; M279-L327 HydrophobicContact SD-CD1 4.38Å; S324-L327 WeakPolarHBondContact O-CB 3.35Å; S324-L327 PolarHBondContact O-N 3.04Å; S324-L327 VanDerWaalsContact O-N 3.09Å; L327-K331 HydrophobicContact CD2-CD 3.89Å; L327-K331 WeakPolarHBondContact O-CA 3.37Å; L327-K331 VanDerWaalsContact O-CB 3.23Å; L327-K331 WeakPolarHBondContact O-CB 3.22Å; L327-K331 PolarHBondContact O-N 2.98Å
328F98.6Very high97.8Very high22 Ų2247.7 Ų47.710%0.09624%0.243CC..Hα-helixtrans-61.6-47174.3173.7-99000111.2Q272 V275 S324 A325 Q326 T330 T332 K333 L336Q272-F328 HydrophobicContact CB-CD2 4.15Å; Q272-F328 HydrophobicContact CB-CE2 3.77Å; Q272-F328 HydrophobicContact CB-CZ 3.99Å; Q272-F328 HydrophobicContact CG-CD1 4.21Å; Q272-F328 HydrophobicContact CG-CD2 4.02Å; Q272-F328 HydrophobicContact CG-CE1 4.2Å; Q272-F328 HydrophobicContact CG-CE2 4.02Å; Q272-F328 HydrophobicContact CG-CG 4.11Å; Q272-F328 HydrophobicContact CG-CZ 4.1Å; V275-F328 HydrophobicContact CB-CD2 4.5Å; V275-F328 HydrophobicContact CG1-CB 4.38Å; V275-F328 HydrophobicContact CG2-CD2 4.05Å; S324-F328 PolarHBondContact O-N 2.95Å; A325-F328 PolarHBondContact O-N 3.27Å; Q326-F328 VanDerWaalsContact C-N 3.34Å; F328-T330 PolarHBondContact O-N 3.37Å; F328-T332 HydrophobicContact CD2-CG2 4.07Å; F328-T332 HydrophobicContact CE2-CG2 4.05Å; F328-T332 CarbonylContact O-C 3.53Å; F328-T332 PolarHBondContact O-N 2.64Å; F328-T332 VanDerWaalsContact O-N 3.07Å; F328-K333 HydrophobicContact CD1-CB 4.38Å; F328-K333 HydrophobicContact CE1-CB 4.03Å; F328-K333 HydrophobicContact CE1-CD 4.45Å; F328-K333 HydrophobicContact CE1-CG 4.23Å; F328-K333 HydrophobicContact CZ-CB 4.37Å; F328-K333 PolarHBondContact O-N 3.24Å; F328-L336 HydrophobicContact CE2-CD1 3.81Å; F328-L336 HydrophobicContact CZ-CD1 3.63Å
329E98.4Very high97.9Very high91 Ų9140.2 Ų40.243%0.42521%0.211SC..Hα-helixtrans-58.5-45.8179.7-171.966.6-153.100111.8A325 Q326 K333A325-E329 PolarHBondContact O-N 2.74Å; Q326-E329 PolarHBondContact O-N 3.03Å; E329-K333 VanDerWaalsContact OE1-CD 3.28Å; E329-K333 WeakPolarHBondContact OE1-CD 3.31Å; E329-K333 IonicContact OE1-NZ 3.33Å; E329-K333 PolarHBondContact OE1-NZ 2.9Å; E329-K333 WeakPolarHBondContact OE2-CD 3.31Å; E329-K333 WeakPolarHBondContact OE2-CE 3.13Å; E329-K333 IonicContact OE2-NZ 2.87Å; E329-K333 PolarHBondContact OE2-NZ 3.2Å
330T98.1Very high98Very high73 Ų7340.5 Ų40.545%0.44821%0.212SC..Hα-helixtrans-86.5-37.9-17457.30000113.9Q326 F328Q326-T330 VanDerWaalsContact NE2-CG2 3.33Å; Q326-T330 PolarHBondContact O-N 3.47Å; Q326-T330 PolarHBondContact O-OG1 3.2Å; F328-T330 PolarHBondContact O-N 3.37Å
331K98.7Very high98.1Very high28 Ų2841.3 Ų41.312%0.12222%0.216CC..Hα-helixtrans-98.6-21.5-171.3-54.9-175.1177.6-77.40113.7L255 F258 D259 F260 L261 L327L255-K331 WeakPolarHBondContact O-CE 3.28Å; F258-K331 WeakPolarHBondContact O-CD 3.09Å; F258-K331 WeakPolarHBondContact O-CE 3.22Å; F258-K331 PolarHBondContact O-NZ 3.06Å; D259-K331 WeakPolarHBondContact O-CG 3.15Å; F260-K331 CarbonylContact C-O 3.41Å; F260-K331 WeakPolarHBondContact CA-O 3.24Å; L261-K331 PolarHBondContact N-O 2.97Å; L327-K331 HydrophobicContact CD2-CD 3.89Å; L327-K331 WeakPolarHBondContact O-CA 3.37Å; L327-K331 VanDerWaalsContact O-CB 3.23Å; L327-K331 WeakPolarHBondContact O-CB 3.22Å; L327-K331 PolarHBondContact O-N 2.98Å
332T98.9Very high98.1Very high1 Ų139.9 Ų39.91%0.00621%0.208CC..THydrogen-bonded Turntrans-129.4-39.3-167.2-51.90000114.6F263 V271 V275 F328 A334 S335F263-T332 HydrophobicContact CD2-CG2 3.97Å; F263-T332 HydrophobicContact CE2-CG2 3.93Å; V271-T332 HydrophobicContact CG1-CG2 3.55Å; V275-T332 HydrophobicContact CG2-CG2 3.95Å; V275-T332 WeakPolarHBondContact CG2-OG1 3.44Å; F328-T332 HydrophobicContact CD2-CG2 4.07Å; F328-T332 HydrophobicContact CE2-CG2 4.05Å; F328-T332 CarbonylContact O-C 3.53Å; F328-T332 PolarHBondContact O-N 2.64Å; F328-T332 VanDerWaalsContact O-N 3.07Å; T332-A334 VanDerWaalsContact C-N 3.32Å; T332-A334 PolarHBondContact O-N 2.82Å; T332-S335 VanDerWaalsContact O-CB 3.28Å; T332-S335 WeakPolarHBondContact O-CB 3.32Å; T332-S335 PolarHBondContact O-N 2.95Å; T332-S335 PolarHBondContact O-OG 3Å
333K98.8Very high98.3Very high95 Ų9531.5 Ų31.541%0.41317%0.173SC..G310 helixtrans-57.3-40.3-168.7-177.7178.7176.8-1750113.9F328 E329 S335 L336F328-K333 HydrophobicContact CD1-CB 4.38Å; F328-K333 HydrophobicContact CE1-CB 4.03Å; F328-K333 HydrophobicContact CE1-CD 4.45Å; F328-K333 HydrophobicContact CE1-CG 4.23Å; F328-K333 HydrophobicContact CZ-CB 4.37Å; F328-K333 PolarHBondContact O-N 3.24Å; E329-K333 VanDerWaalsContact OE1-CD 3.28Å; E329-K333 WeakPolarHBondContact OE1-CD 3.31Å; E329-K333 IonicContact OE1-NZ 3.33Å; E329-K333 PolarHBondContact OE1-NZ 2.9Å; E329-K333 WeakPolarHBondContact OE2-CD 3.31Å; E329-K333 WeakPolarHBondContact OE2-CE 3.13Å; E329-K333 IonicContact OE2-NZ 2.87Å; E329-K333 PolarHBondContact OE2-NZ 3.2Å; K333-S335 PolarHBondContact O-N 2.65Å; K333-L336 WeakPolarHBondContact O-CB 3.44Å; K333-L336 PolarHBondContact O-N 2.91Å
334A98.6Very high98.4Very high22 Ų2230.3 Ų30.318%0.18216%0.162CC..G310 helixtrans-57.1-35.6176.200000111.7T332 L336 L337 L357 Q360T332-A334 VanDerWaalsContact C-N 3.32Å; T332-A334 PolarHBondContact O-N 2.82Å; A334-L336 PolarHBondContact O-N 3.02Å; A334-L337 PolarHBondContact O-N 3.45Å; A334-L357 HydrophobicContact CB-CD1 4.29Å; A334-Q360 PolarHBondContact O-NE2 3.31Å
335S98.9Very high98.5Very high1 Ų130.6 Ų30.61%0.00716%0.163CC..G310 helixtrans-63.8-14.3177.279.90000113.9T332 K333 C353 S356T332-S335 VanDerWaalsContact O-CB 3.28Å; T332-S335 WeakPolarHBondContact O-CB 3.32Å; T332-S335 PolarHBondContact O-N 2.95Å; T332-S335 PolarHBondContact O-OG 3Å; K333-S335 PolarHBondContact O-N 2.65Å; S335-C353 WeakPolarHBondContact CA-O 3.49Å; S335-C353 WeakPolarHBondContact CB-O 3.33Å; S335-C353 WeakPolarHBondContact O-CA 3.24Å; S335-C353 VanDerWaalsContact O-CB 3.22Å; S335-C353 WeakPolarHBondContact O-CB 3.31Å; S335-C353 PolarHBondContact O-SG 2.93Å; S335-S356 VanDerWaalsContact O-CB 3.3Å; S335-S356 WeakPolarHBondContact O-CB 3.46Å
336L98.9Very high98.6Very high13 Ų1328.5 Ų28.57%0.06815%0.145CC..G310 helixtrans-92.31.8-174.7-63178.9000114.8C268 V271 F328 K333 A334 L338 S339 S340C268-L336 HydrophobicContact CB-CD1 4.1Å; V271-L336 HydrophobicContact CB-CD1 4.26Å; V271-L336 HydrophobicContact CB-CD2 3.99Å; V271-L336 HydrophobicContact CG1-CD1 4.22Å; V271-L336 HydrophobicContact CG1-CD2 3.95Å; V271-L336 HydrophobicContact CG1-CG 4.47Å; V271-L336 HydrophobicContact CG2-CD2 3.93Å; F328-L336 HydrophobicContact CE2-CD1 3.81Å; F328-L336 HydrophobicContact CZ-CD1 3.63Å; K333-L336 WeakPolarHBondContact O-CB 3.44Å; K333-L336 PolarHBondContact O-N 2.91Å; A334-L336 PolarHBondContact O-N 3.02Å; L336-L338 PolarHBondContact O-N 2.98Å; L336-S339 PolarHBondContact O-N 2.84Å; L336-S340 WeakPolarHBondContact O-CB 2.82Å; L336-S340 PolarHBondContact O-N 2.86Å
337L98.8Very high98.6Very high21 Ų2122.1 Ų22.111%0.1112%0.116CC..Hα-helixtrans-52.8-57.3-179.5171.962.6000111.7A334 Q341 Q360 L409 R410 L413A334-L337 PolarHBondContact O-N 3.45Å; L337-Q341 HydrophobicContact CD1-CG 4.04Å; L337-Q341 WeakPolarHBondContact O-CB 3.07Å; L337-Q341 WeakPolarHBondContact O-CG 3.45Å; L337-Q341 PolarHBondContact O-N 2.98Å; L337-Q341 VanDerWaalsContact O-N 3.16Å; L337-Q360 HydrophobicContact CD2-CG 4.34Å; L337-L409 HydrophobicContact CD2-CD2 4.24Å; L337-L409 HydrophobicContact CD2-CG 4.44Å; L337-R410 VanDerWaalsContact CD1-NH1 3.28Å; L337-L413 HydrophobicContact CD1-CD1 4.45Å; L337-L413 HydrophobicContact CG-CD1 4.16Å
338L98.8Very high98.7Very high1 Ų120.5 Ų20.51%0.00511%0.107CC..Hα-helixtrans-66.4-41.6-178.5-177.656.5000111.7F26 L336 S340 Q341 N342 M345 S356 L413F26-L338 HydrophobicContact CD1-CD1 3.69Å; F26-L338 HydrophobicContact CE1-CD1 3.9Å; L336-L338 PolarHBondContact O-N 2.98Å; L338-S340 PolarHBondContact O-N 2.69Å; L338-Q341 CarbonylContact O-C 3.6Å; L338-Q341 PolarHBondContact O-N 3Å; L338-N342 HydrophobicContact CD1-CB 3.61Å; L338-N342 HydrophobicContact CG-CB 4.29Å; L338-N342 WeakPolarHBondContact O-CA 3.45Å; L338-N342 WeakPolarHBondContact O-CB 3.21Å; L338-N342 PolarHBondContact O-N 3.44Å; L338-M345 HydrophobicContact CD2-CE 3.5Å; L338-M345 HydrophobicContact CD2-SD 4.2Å; L338-M345 HydrophobicContact CG-CE 3.98Å; L338-M345 HydrophobicContact CG-SD 4.47Å; L338-S356 WeakPolarHBondContact CB-OG 3.33Å; L338-S356 PolarHBondContact N-OG 2.86Å; L338-L413 HydrophobicContact CD1-CD1 4.16Å; L338-L413 HydrophobicContact CD1-CD2 3.64Å; L338-L413 HydrophobicContact CD1-CG 4.33Å
339S98.6Very high98.7Very high3 Ų319.5 Ų19.52%0.02110%0.103CC..Hα-helixtrans-59.6-45.4179178.20000112.4Q53 S265 L336 Q341 G343Q53-S339 PolarHBondContact NE2-O 3.26Å; S265-S339 WeakPolarHBondContact CB-OG 3.48Å; S265-S339 WeakPolarHBondContact OG-CB 3.35Å; S265-S339 PolarHBondContact OG-OG 2.85Å; L336-S339 PolarHBondContact O-N 2.84Å; S339-Q341 VanDerWaalsContact C-N 3.29Å; S339-Q341 PolarHBondContact O-N 3.26Å; S339-G343 WeakPolarHBondContact O-CA 3.38Å; S339-G343 PolarHBondContact O-N 3.46Å
340S98.8Very high98.7Very high27 Ų2715.2 Ų15.219%0.1898%0.083CC..Hα-helixtrans-67.7-32.3179.8-1740000111.9G52 A54 R55 L336 L338G52-S340 PolarHBondContact O-OG 3.4Å; A54-S340 WeakPolarHBondContact CA-O 3.36Å; A54-S340 WeakPolarHBondContact CB-O 3.27Å; A54-S340 PolarHBondContact N-O 2.95Å; R55-S340 PolarHBondContact N-O 2.75Å; L336-S340 WeakPolarHBondContact O-CB 2.82Å; L336-S340 PolarHBondContact O-N 2.86Å; L338-S340 PolarHBondContact O-N 2.69Å
341Q98.9Very high98.8Very high19 Ų1911.8 Ų11.89%0.0896%0.062CC..Hα-helixtrans-94.6-13.3-175.4-61.6-60.6-50.900114R55 L337 L338 S339 L413 R416R55-Q341 VanDerWaalsContact CB-O 3.27Å; R55-Q341 WeakPolarHBondContact CB-O 3.44Å; R55-Q341 VanDerWaalsContact CD-OE1 3.3Å; R55-Q341 CarbonylContact O-C 3.52Å; R55-Q341 VanDerWaalsContact O-C 3.26Å; L337-Q341 HydrophobicContact CD1-CG 4.04Å; L337-Q341 WeakPolarHBondContact O-CB 3.07Å; L337-Q341 WeakPolarHBondContact O-CG 3.45Å; L337-Q341 PolarHBondContact O-N 2.98Å; L337-Q341 VanDerWaalsContact O-N 3.16Å; L338-Q341 CarbonylContact O-C 3.6Å; L338-Q341 PolarHBondContact O-N 3Å; S339-Q341 VanDerWaalsContact C-N 3.29Å; S339-Q341 PolarHBondContact O-N 3.26Å; Q341-L413 HydrophobicContact CB-CD1 4Å; Q341-L413 HydrophobicContact CB-CD2 4.08Å; Q341-L413 HydrophobicContact CG-CD1 4.37Å; Q341-R416 VanDerWaalsContact O-CZ 3.27Å; Q341-R416 PolarHBondContact O-NH1 3.39Å; Q341-R416 PolarHBondContact O-NH2 2.96Å
342N98.9Very high98.8Very high0 Ų010.5 Ų10.50%06%0.057CC..Hα-helixtrans-132.1-14.5-174-164.558.8000114.6R55 G57 A174 L338 M345 R416R55-N342 PolarHBondContact O-N 3.05Å; G57-N342 WeakPolarHBondContact CA-OD1 3.34Å; G57-N342 PolarHBondContact N-O 3.43Å; A174-N342 PolarHBondContact O-ND2 3.3Å; L338-N342 HydrophobicContact CD1-CB 3.61Å; L338-N342 HydrophobicContact CG-CB 4.29Å; L338-N342 WeakPolarHBondContact O-CA 3.45Å; L338-N342 WeakPolarHBondContact O-CB 3.21Å; L338-N342 PolarHBondContact O-N 3.44Å; N342-M345 PolarHBondContact ND2-SD 3.12Å; N342-R416 PolarHBondContact OD1-NH1 3.12Å
343G98.6Very high98.8Very high1 Ų110.5 Ų10.51%0.016%0.057CC..BIsolated β-bridgetrans92.1-171.2-178.100000114.1G172 S339 M345G172-G343 CarbonylContact O-C 3.51Å; G172-G343 WeakPolarHBondContact O-CA 3.48Å; S339-G343 WeakPolarHBondContact O-CA 3.38Å; S339-G343 PolarHBondContact O-N 3.46Å; G343-M345 PolarHBondContact O-N 3.43Å
344N98.6Very high98.8Very high4 Ų46 Ų62%0.0214%0.037CC..  trans-75.3119.5174.1-172.23.9000109.3A161 T171 G172 G173 Y346A161-N344 VanDerWaalsContact CB-O 3.24Å; A161-N344 WeakPolarHBondContact CB-O 3.46Å; T171-N344 WeakPolarHBondContact O-CB 3.38Å; G172-N344 CarbonylContact C-O 3.56Å; G172-N344 PolarHBondContact O-N 3.04Å; G173-N344 CarbonylContact C-O 3.49Å; G173-N344 VanDerWaalsContact C-O 3.3Å; G173-N344 WeakPolarHBondContact CA-O 3.42Å; G173-N344 PolarHBondContact N-O 3.25Å; N344-Y346 WeakPolarHBondContact ND2-CD1 3.18Å; N344-Y346 PolarHBondContact OD1-N 3.31Å
345M98.6Very high98.8Very high6 Ų65 Ų53%0.033%0.029CC..  trans-92.31.5174.6-58.3-174.9-6600112.6D159 L338 N342 G343 P348D159-M345 WeakPolarHBondContact CB-O 3.34Å; L338-M345 HydrophobicContact CD2-CE 3.5Å; L338-M345 HydrophobicContact CD2-SD 4.2Å; L338-M345 HydrophobicContact CG-CE 3.98Å; L338-M345 HydrophobicContact CG-SD 4.47Å; N342-M345 PolarHBondContact ND2-SD 3.12Å; G343-M345 PolarHBondContact O-N 3.43Å; M345-P348 HydrophobicContact CB-CB 4.25Å; M345-P348 HydrophobicContact CB-CG 3.86Å; M345-P348 HydrophobicContact CE-CB 4.35Å; M345-P348 WeakPolarHBondContact O-CD 3.16Å; M345-P348 WeakPolarHBondContact O-CG 3.25Å
346Y98.8Very high98.8Very high2 Ų24.9 Ų4.91%0.0083%0.028CC..SBendtrans61.8-121.4-166.8-62.4-27.5000113.9E95 C129 D159 A161 Y163 F204 N344 S349E95-Y346 HydrophobicContact CG-CD2 3.53Å; E95-Y346 HydrophobicContact CG-CE2 4.18Å; E95-Y346 HydrophobicContact CG-CG 4.04Å; E95-Y346 WeakPolarHBondContact OE2-CD2 3.21Å; E95-Y346 VanDerWaalsContact OE2-CE2 3.27Å; E95-Y346 WeakPolarHBondContact OE2-CE2 3.43Å; C129-Y346 VanDerWaalsContact SG-CA 3.57Å; C129-Y346 WeakPolarHBondContact SG-CD1 3.4Å; D159-Y346 HydrophobicContact CB-CD2 3.95Å; D159-Y346 HydrophobicContact CB-CG 4.27Å; D159-Y346 VanDerWaalsContact OD2-CB 3.31Å; D159-Y346 WeakPolarHBondContact OD2-CB 3.37Å; A161-Y346 VanDerWaalsContact CA-CE2 3.4Å; A161-Y346 HydrophobicContact CB-CD1 3.77Å; A161-Y346 HydrophobicContact CB-CD2 3.7Å; A161-Y346 HydrophobicContact CB-CE1 3.54Å; A161-Y346 HydrophobicContact CB-CE2 3.47Å; A161-Y346 VanDerWaalsContact CB-CE2 3.47Å; A161-Y346 HydrophobicContact CB-CG 3.85Å; Y163-Y346 VanDerWaalsContact CZ-OH 3.32Å; Y163-Y346 WeakPolarHBondContact OH-CE1 3.49Å; Y163-Y346 PolarHBondContact OH-OH 3.35Å; F204-Y346 HydrophobicContact CZ-CE1 4.27Å; F204-Y346 AromaticContact CZ-CZ 3.89Å; F204-Y346 WeakPolarHBondContact CZ-OH 3.22Å; N344-Y346 WeakPolarHBondContact ND2-CD1 3.18Å; N344-Y346 PolarHBondContact OD1-N 3.31Å; Y346-S349 WeakPolarHBondContact O-CB 3.35Å; Y346-S349 PolarHBondContact O-N 3.32Å
347T98.9Very high98.8Very high0 Ų04.4 Ų4.40%03%0.026CC..THydrogen-bonded Turntrans-54.9-36.1-175.260.10000115.9G93 A128 C129 G158 D159 S349G93-T347 PolarHBondContact O-OG1 2.99Å; G93-T347 VanDerWaalsContact O-OG1 3.1Å; A128-T347 VanDerWaalsContact O-CG2 3.24Å; A128-T347 WeakPolarHBondContact O-CG2 3.28Å; C129-T347 WeakPolarHBondContact O-CA 3.39Å; G158-T347 PolarHBondContact N-OG1 3.3Å; D159-T347 WeakPolarHBondContact OD2-CB 3.43Å; D159-T347 WeakPolarHBondContact OD2-CG2 3.29Å; D159-T347 PolarHBondContact OD2-N 2.96Å; D159-T347 PolarHBondContact OD2-OG1 3.42Å; T347-S349 VanDerWaalsContact C-N 3.28Å; T347-S349 PolarHBondContact O-N 3.46Å
348P98.8Very high98.8Very high0 Ų03.5 Ų3.50%02%0.021CC..THydrogen-bonded Turntrans-76.9-9.6174.86.112.4000113A157 G175 V177 M345 V350 Y351 G352A157-P348 HydrophobicContact CB-CB 4.18Å; A157-P348 HydrophobicContact CB-CG 4.43Å; G175-P348 WeakPolarHBondContact O-CG 3.48Å; V177-P348 HydrophobicContact CB-CB 4.19Å; V177-P348 HydrophobicContact CG2-CB 3.78Å; M345-P348 HydrophobicContact CB-CB 4.25Å; M345-P348 HydrophobicContact CB-CG 3.86Å; M345-P348 HydrophobicContact CE-CB 4.35Å; M345-P348 WeakPolarHBondContact O-CD 3.16Å; M345-P348 WeakPolarHBondContact O-CG 3.25Å; P348-V350 PolarHBondContact O-N 3.35Å; P348-Y351 CarbonylContact O-C 3.6Å; P348-Y351 PolarHBondContact O-N 3.46Å; P348-G352 PolarHBondContact O-N 3.23Å
349S98.9Very high98.8Very high2 Ų24.3 Ų4.31%0.0143%0.028CC..Hα-helixtrans-57.8-48.5-169.5174.30000112.7H264 S265 Y346 T347 Y351 G352 C353H264-S349 WeakPolarHBondContact ND1-CB 3.43Å; S265-S349 PolarHBondContact N-OG 3.12Å; S265-S349 PolarHBondContact O-OG 2.86Å; Y346-S349 WeakPolarHBondContact O-CB 3.35Å; Y346-S349 PolarHBondContact O-N 3.32Å; T347-S349 VanDerWaalsContact C-N 3.28Å; T347-S349 PolarHBondContact O-N 3.46Å; S349-Y351 VanDerWaalsContact C-N 3.27Å; S349-Y351 PolarHBondContact O-N 3Å; S349-G352 PolarHBondContact O-N 3.18Å; S349-C353 PolarHBondContact O-N 3.22Å; S349-C353 PolarHBondContact O-SG 3.23Å
350V98.9Very high98.8Very high1 Ų18.6 Ų8.61%0.0065%0.048CC..Hα-helixtrans-62.9-34.4177.867.40000112.1V262 H264 P348 C353 L354 L373V262-V350 HydrophobicContact CG1-CG2 4Å; V262-V350 VanDerWaalsContact CG1-O 3.23Å; V262-V350 WeakPolarHBondContact CG1-O 3.49Å; H264-V350 HydrophobicContact CB-CB 4.47Å; P348-V350 PolarHBondContact O-N 3.35Å; V350-C353 PolarHBondContact O-N 3Å; V350-L354 PolarHBondContact O-N 3.48Å; V350-L373 HydrophobicContact CG2-CD2 4.41Å
351Y98.9Very high98.8Very high0 Ų09 Ų90%05%0.046CC..Hα-helixtrans-79.8-31.4179.4-55.3-65.3000112.8G132 T133 L136 A157 M179 P348 S349 C353 L354 A355G132-Y351 PolarHBondContact O-OH 2.82Å; T133-Y351 WeakPolarHBondContact CA-OH 3.12Å; T133-Y351 PolarHBondContact N-OH 2.84Å; T133-Y351 PolarHBondContact OG1-OH 3.29Å; T133-Y351 VanDerWaalsContact OG1-OH 3.07Å; L136-Y351 HydrophobicContact CD2-CE1 3.48Å; L136-Y351 VanDerWaalsContact CD2-CE1 3.48Å; L136-Y351 VanDerWaalsContact CD2-OH 3.25Å; L136-Y351 WeakPolarHBondContact CD2-OH 3.38Å; A157-Y351 HydrophobicContact CB-CD2 4.17Å; A157-Y351 HydrophobicContact CB-CE2 4.39Å; M179-Y351 HydrophobicContact CE-CD1 3.7Å; M179-Y351 HydrophobicContact CE-CD2 3.95Å; M179-Y351 HydrophobicContact CE-CE1 3.67Å; M179-Y351 HydrophobicContact CE-CE2 3.92Å; M179-Y351 HydrophobicContact CE-CG 3.82Å; M179-Y351 HydrophobicContact SD-CD1 3.44Å; M179-Y351 WeakPolarHBondContact SD-CD1 3.27Å; M179-Y351 HydrophobicContact SD-CE1 3.75Å; M179-Y351 HydrophobicContact SD-CG 3.93Å; P348-Y351 CarbonylContact O-C 3.6Å; P348-Y351 PolarHBondContact O-N 3.46Å; S349-Y351 VanDerWaalsContact C-N 3.27Å; S349-Y351 PolarHBondContact O-N 3Å; Y351-C353 VanDerWaalsContact C-N 3.26Å; Y351-C353 PolarHBondContact O-N 2.81Å; Y351-L354 WeakPolarHBondContact O-CB 3.4Å; Y351-L354 PolarHBondContact O-N 2.92Å; Y351-A355 WeakPolarHBondContact O-CB 3.22Å; Y351-A355 PolarHBondContact O-N 3.19Å
352G98.9Very high98.7Very high1 Ų111.5 Ų11.51%0.016%0.063CC..Hα-helixtrans-63.4-35.7167.300000111.9P348 S349 A355 S356P348-G352 PolarHBondContact O-N 3.23Å; S349-G352 PolarHBondContact O-N 3.18Å; G352-A355 PolarHBondContact O-N 2.96Å; G352-S356 WeakPolarHBondContact O-CB 3.28Å; G352-S356 PolarHBondContact O-N 3Å; G352-S356 PolarHBondContact O-OG 3.13Å
353C98.9Very high98.7Very high1 Ų111.8 Ų11.81%0.0077%0.065CC..Hα-helixtrans-70.2-39.1172-71.80000112.6V262 S335 S349 V350 Y351 S356 L357V262-C353 HydrophobicContact CG1-CB 3.57Å; S335-C353 WeakPolarHBondContact CA-O 3.49Å; S335-C353 WeakPolarHBondContact CB-O 3.33Å; S335-C353 WeakPolarHBondContact O-CA 3.24Å; S335-C353 VanDerWaalsContact O-CB 3.22Å; S335-C353 WeakPolarHBondContact O-CB 3.31Å; S335-C353 PolarHBondContact O-SG 2.93Å; S349-C353 PolarHBondContact O-N 3.22Å; S349-C353 PolarHBondContact O-SG 3.23Å; V350-C353 PolarHBondContact O-N 3Å; Y351-C353 VanDerWaalsContact C-N 3.26Å; Y351-C353 PolarHBondContact O-N 2.81Å; C353-S356 WeakPolarHBondContact O-CB 3.32Å; C353-S356 PolarHBondContact O-N 2.99Å; C353-L357 PolarHBondContact O-N 3.22Å
354L98.9Very high98.7Very high1 Ų115.1 Ų15.11%0.0059%0.089CC..Hα-helixtrans-60.5-44.9170.6179.763.1000111.3I19 M22 L187 V262 V350 Y351 S356 L357 I358 V371 L373 L387I19-L354 HydrophobicContact CD1-CD2 3.9Å; M22-L354 HydrophobicContact CE-CG 4.39Å; M22-L354 HydrophobicContact SD-CD2 4.46Å; L187-L354 HydrophobicContact CD1-CD2 4.21Å; V262-L354 HydrophobicContact CG1-CB 4.34Å; V350-L354 PolarHBondContact O-N 3.48Å; Y351-L354 WeakPolarHBondContact O-CB 3.4Å; Y351-L354 PolarHBondContact O-N 2.92Å; L354-S356 VanDerWaalsContact C-N 3.32Å; L354-S356 PolarHBondContact O-N 2.94Å; L354-L357 WeakPolarHBondContact O-CB 3.38Å; L354-L357 PolarHBondContact O-N 3.47Å; L354-I358 HydrophobicContact CD1-CD1 4.16Å; L354-I358 HydrophobicContact CG-CD1 3.96Å; L354-I358 WeakPolarHBondContact O-CG1 3.25Å; L354-I358 PolarHBondContact O-N 3.17Å; L354-V371 HydrophobicContact CD1-CG1 4.17Å; L354-L373 HydrophobicContact CB-CD2 4.45Å; L354-L373 HydrophobicContact CD2-CD2 4.16Å; L354-L387 HydrophobicContact CD2-CD1 4.19Å
355A98.9Very high98.7Very high0 Ų019.6 Ų19.60%011%0.109CC..Hα-helixtrans-61.4-40.9176.600000112M22 L24 Y351 G352 L357 I358 A359 L406M22-A355 VanDerWaalsContact CE-CA 3.43Å; M22-A355 HydrophobicContact CE-CB 3.49Å; M22-A355 VanDerWaalsContact CE-CB 3.49Å; M22-A355 HydrophobicContact SD-CB 4.34Å; L24-A355 HydrophobicContact CD2-CB 3.72Å; Y351-A355 WeakPolarHBondContact O-CB 3.22Å; Y351-A355 PolarHBondContact O-N 3.19Å; G352-A355 PolarHBondContact O-N 2.96Å; A355-L357 VanDerWaalsContact C-N 3.35Å; A355-L357 PolarHBondContact O-N 2.89Å; A355-I358 PolarHBondContact O-N 3.44Å; A355-A359 VanDerWaalsContact O-CB 3.26Å; A355-A359 WeakPolarHBondContact O-CB 3.39Å; A355-A359 PolarHBondContact O-N 3.07Å; A355-L406 HydrophobicContact CB-CD1 4.24Å; A355-L406 HydrophobicContact CB-CD2 4.42Å
356S98.9Very high98.7Very high0 Ų019.4 Ų19.40%011%0.109CC..Hα-helixtrans-61.4-41.9175.5-64.10000112.5S335 L338 G352 C353 L354 Q360S335-S356 VanDerWaalsContact O-CB 3.3Å; S335-S356 WeakPolarHBondContact O-CB 3.46Å; L338-S356 WeakPolarHBondContact CB-OG 3.33Å; L338-S356 PolarHBondContact N-OG 2.86Å; G352-S356 WeakPolarHBondContact O-CB 3.28Å; G352-S356 PolarHBondContact O-N 3Å; G352-S356 PolarHBondContact O-OG 3.13Å; C353-S356 WeakPolarHBondContact O-CB 3.32Å; C353-S356 PolarHBondContact O-N 2.99Å; L354-S356 VanDerWaalsContact C-N 3.32Å; L354-S356 PolarHBondContact O-N 2.94Å; S356-Q360 PolarHBondContact O-NE2 3.27Å
357L98.8Very high98.7Very high2 Ų220.1 Ų20.11%0.0111%0.114CC..Hα-helixtrans-60.8-50.1175.4174.267.5000110.5F260 V262 A334 C353 L354 A355 Q360 H361 V371F260-L357 HydrophobicContact CB-CD1 4.29Å; F260-L357 HydrophobicContact CB-CD2 3.6Å; F260-L357 HydrophobicContact CD1-CD1 3.46Å; F260-L357 VanDerWaalsContact CD1-CD1 3.46Å; F260-L357 HydrophobicContact CD1-CD2 4.3Å; F260-L357 HydrophobicContact CD1-CG 4.48Å; F260-L357 HydrophobicContact CD2-CD1 4.39Å; F260-L357 HydrophobicContact CD2-CD2 4.12Å; F260-L357 HydrophobicContact CE1-CD1 3.77Å; F260-L357 HydrophobicContact CG-CD1 3.79Å; F260-L357 HydrophobicContact CG-CD2 3.75Å; F260-L357 HydrophobicContact CG-CG 4.36Å; F260-L357 HydrophobicContact CZ-CD1 4.35Å; V262-L357 HydrophobicContact CG2-CD2 4Å; A334-L357 HydrophobicContact CB-CD1 4.29Å; C353-L357 PolarHBondContact O-N 3.22Å; L354-L357 WeakPolarHBondContact O-CB 3.38Å; L354-L357 PolarHBondContact O-N 3.47Å; A355-L357 VanDerWaalsContact C-N 3.35Å; A355-L357 PolarHBondContact O-N 2.89Å; L357-Q360 PolarHBondContact O-N 2.85Å; L357-H361 PolarHBondContact O-ND1 2.68Å; L357-V371 HydrophobicContact CD2-CG1 4.01Å; L357-V371 HydrophobicContact CD2-CG2 4.32Å
358I98.8Very high98.7Very high3 Ų320.7 Ų20.72%0.01512%0.12CC..Hα-helixtrans-63.8-43.4-177.8-63.7163000111.2M22 L187 L354 A355 Q360 H361 L366 L402 V403 L406M22-I358 HydrophobicContact CE-CD1 3.74Å; L187-I358 HydrophobicContact CD1-CD1 3.84Å; L354-I358 HydrophobicContact CD1-CD1 4.16Å; L354-I358 HydrophobicContact CG-CD1 3.96Å; L354-I358 WeakPolarHBondContact O-CG1 3.25Å; L354-I358 PolarHBondContact O-N 3.17Å; A355-I358 PolarHBondContact O-N 3.44Å; I358-Q360 PolarHBondContact O-N 2.86Å; I358-H361 PolarHBondContact O-N 3.18Å; I358-H361 VanDerWaalsContact O-O 3.12Å; I358-L366 HydrophobicContact CB-CD1 4.44Å; I358-L366 HydrophobicContact CG1-CD1 4.32Å; I358-L366 HydrophobicContact CG2-CD1 4.21Å; I358-L402 HydrophobicContact CD1-CD2 4.3Å; I358-V403 HydrophobicContact CG2-CB 4.39Å; I358-V403 HydrophobicContact CG2-CG2 3.84Å; I358-L406 HydrophobicContact CB-CD1 3.9Å; I358-L406 HydrophobicContact CD1-CD1 4.18Å; I358-L406 HydrophobicContact CG2-CD1 3.76Å
359A98.4Very high98.7Very high18 Ų1823.2 Ų23.215%0.14913%0.132CC..Hα-helixtrans-60.6-18.8-179.800000114.5A355 L406 L409A355-A359 VanDerWaalsContact O-CB 3.26Å; A355-A359 WeakPolarHBondContact O-CB 3.39Å; A355-A359 PolarHBondContact O-N 3.07Å; A359-L406 HydrophobicContact CB-CB 4.09Å; A359-L406 WeakPolarHBondContact CB-O 3.29Å; A359-L409 HydrophobicContact CB-CB 3.88Å; A359-L409 HydrophobicContact CB-CD2 3.77Å; A359-L409 HydrophobicContact CB-CG 4.45Å
360Q98.2Very high98.7Very high93 Ų9324.1 Ų24.144%0.43514%0.135SC..THydrogen-bonded Turntrans-109.35.8-175.2-75.1171.7101.300113.8A334 L337 S356 L357 I358A334-Q360 PolarHBondContact O-NE2 3.31Å; L337-Q360 HydrophobicContact CD2-CG 4.34Å; S356-Q360 PolarHBondContact O-NE2 3.27Å; L357-Q360 PolarHBondContact O-N 2.85Å; I358-Q360 PolarHBondContact O-N 2.86Å
361H98.6Very high98.7Very high36 Ų3624.2 Ų24.217%0.16714%0.136CC..SBendtrans-131.2148.5178.9-66.283.5000110.8F260 L357 I358 Q365 L366 V403F260-H361 AromaticContact CE1-CE1 3.94Å; F260-H361 AromaticContact CE1-NE2 3.67Å; F260-H361 AromaticContact CZ-CD2 3.97Å; F260-H361 AromaticContact CZ-NE2 3.75Å; L357-H361 PolarHBondContact O-ND1 2.68Å; I358-H361 PolarHBondContact O-N 3.18Å; I358-H361 VanDerWaalsContact O-O 3.12Å; H361-Q365 HydrophobicContact CB-CB 4.22Å; H361-L366 HydrophobicContact CB-CD1 4.14Å; H361-L366 HydrophobicContact CB-CD2 3.72Å; H361-L366 HydrophobicContact CB-CG 3.7Å; H361-V403 VanDerWaalsContact O-CG1 3.32Å; H361-V403 WeakPolarHBondContact O-CG1 3.48Å
362T98.4Very high98.7Very high70 Ų7024.2 Ų24.243%0.42914%0.136SC..  trans-75.4159.2170.667.60000110.6S364 Q365 L366T362-S364 PolarHBondContact O-N 2.97Å; T362-S364 PolarHBondContact OG1-OG 2.97Å; T362-Q365 PolarHBondContact O-N 3.44Å; T362-Q365 WeakPolarHBondContact OG1-CG 3.35Å; T362-Q365 PolarHBondContact OG1-N 3.48Å; T362-Q365 PolarHBondContact OG1-OE1 3.03Å; T362-L366 PolarHBondContact O-N 2.9Å; T362-L366 VanDerWaalsContact O-N 3.15Å
363A98.4Very high98.7Very high7 Ų724.2 Ų24.26%0.05814%0.135CC..Hα-helixtrans-54-39.1173.600000112.2Q365 L366 A367 H393 L399 D400 V403A363-Q365 PolarHBondContact O-N 3.19Å; A363-L366 PolarHBondContact O-N 2.79Å; A363-A367 PolarHBondContact O-N 2.85Å; A363-H393 HydrophobicContact CB-CB 3.86Å; A363-L399 HydrophobicContact CB-CD2 4.14Å; A363-L399 HydrophobicContact CB-CG 3.91Å; A363-L399 WeakPolarHBondContact O-CD2 3.41Å; A363-D400 HydrophobicContact CB-CB 4.44Å; A363-V403 HydrophobicContact CB-CG2 4.29Å
364S98.3Very high98.7Very high71 Ų7124.1 Ų24.150%0.49714%0.135SC..Hα-helixtrans-66.4-32.7177.865.20000113.7T362T362-S364 PolarHBondContact O-N 2.97Å; T362-S364 PolarHBondContact OG1-OG 2.97Å
365Q98.3Very high98.7Very high97 Ų9724.1 Ų24.145%0.45314%0.135SC..Hα-helixtrans-73-31.8176-73.2171.2-38.900111.8H361 T362 A363 Q369H361-Q365 HydrophobicContact CB-CB 4.22Å; T362-Q365 PolarHBondContact O-N 3.44Å; T362-Q365 WeakPolarHBondContact OG1-CG 3.35Å; T362-Q365 PolarHBondContact OG1-N 3.48Å; T362-Q365 PolarHBondContact OG1-OE1 3.03Å; A363-Q365 PolarHBondContact O-N 3.19Å; Q365-Q369 WeakPolarHBondContact O-CG 3.46Å; Q365-Q369 PolarHBondContact O-NE2 3.06Å
366L98.6Very high98.7Very high3 Ų324.4 Ų24.42%0.01614%0.136CC..Hα-helixtrans-85.2-22.3179.7-64.4177.2000113.5F260 I358 H361 T362 A363 G368 Q369 V389 L399 V403F260-L366 HydrophobicContact CD2-CD2 4.4Å; F260-L366 HydrophobicContact CE2-CD2 3.78Å; F260-L366 HydrophobicContact CZ-CD2 4.29Å; I358-L366 HydrophobicContact CB-CD1 4.44Å; I358-L366 HydrophobicContact CG1-CD1 4.32Å; I358-L366 HydrophobicContact CG2-CD1 4.21Å; H361-L366 HydrophobicContact CB-CD1 4.14Å; H361-L366 HydrophobicContact CB-CD2 3.72Å; H361-L366 HydrophobicContact CB-CG 3.7Å; T362-L366 PolarHBondContact O-N 2.9Å; T362-L366 VanDerWaalsContact O-N 3.15Å; A363-L366 PolarHBondContact O-N 2.79Å; L366-G368 PolarHBondContact O-N 3.3Å; L366-Q369 VanDerWaalsContact C-CG 3.47Å; L366-Q369 VanDerWaalsContact O-CB 3.25Å; L366-Q369 WeakPolarHBondContact O-CB 3.14Å; L366-Q369 WeakPolarHBondContact O-CG 3.42Å; L366-Q369 PolarHBondContact O-N 3.2Å; L366-Q369 VanDerWaalsContact O-N 3.14Å; L366-V389 HydrophobicContact CB-CG1 4.17Å; L366-V389 WeakPolarHBondContact O-CB 3.38Å; L366-V389 WeakPolarHBondContact O-CG1 3.12Å; L366-V389 WeakPolarHBondContact O-CG2 3.42Å; L366-L399 HydrophobicContact CB-CD1 4.48Å; L366-L399 HydrophobicContact CB-CD2 4.45Å; L366-V403 HydrophobicContact CD1-CG2 3.77Å
367A98.7Very high98.7Very high16 Ų1624.4 Ų24.413%0.13214%0.136CC..THydrogen-bonded Turntrans-53.5128.4-174.300000112.7A363 Q369 T390 H393 L399A363-A367 PolarHBondContact O-N 2.85Å; A367-Q369 PolarHBondContact O-N 3.13Å; A367-Q369 VanDerWaalsContact O-N 3.14Å; A367-T390 WeakPolarHBondContact CA-O 3.49Å; A367-H393 HydrophobicContact CB-CB 4.02Å; A367-L399 HydrophobicContact CB-CD2 4.4Å
368G98.6Very high98.7Very high12 Ų1225.1 Ų25.112%0.12414%0.141CC..THydrogen-bonded Turntrans74.5-8.517800000116.4L366 R388 V389 T390 Q391L366-G368 PolarHBondContact O-N 3.3Å; G368-R388 WeakPolarHBondContact O-CD 3.33Å; G368-R388 PolarHBondContact O-NH1 2.95Å; G368-V389 VanDerWaalsContact CA-O 3.26Å; G368-V389 WeakPolarHBondContact CA-O 3.5Å; G368-V389 PolarHBondContact N-O 3.25Å; G368-T390 PolarHBondContact N-O 3.46Å; G368-Q391 VanDerWaalsContact CA-NE2 3.34Å
369Q98.7Very high98.6Very high53 Ų5326.2 Ų26.225%0.24815%0.153CC..  trans-66.7150.5-174.2-56.9-70.87.200111.9D259 F260 Q365 L366 A367 V389D259-Q369 HydrophobicContact CB-CB 3.87Å; D259-Q369 HydrophobicContact CB-CG 4.32Å; D259-Q369 PolarHBondContact OD1-OE1 2.94Å; D259-Q369 WeakPolarHBondContact OD2-CA 3.14Å; D259-Q369 PolarHBondContact OD2-OE1 3.38Å; D259-Q369 VanDerWaalsContact OD2-OE1 3.13Å; F260-Q369 HydrophobicContact CD2-CB 4.24Å; F260-Q369 HydrophobicContact CE2-CB 4.17Å; F260-Q369 HydrophobicContact CE2-CG 3.98Å; Q365-Q369 WeakPolarHBondContact O-CG 3.46Å; Q365-Q369 PolarHBondContact O-NE2 3.06Å; L366-Q369 VanDerWaalsContact C-CG 3.47Å; L366-Q369 VanDerWaalsContact O-CB 3.25Å; L366-Q369 WeakPolarHBondContact O-CB 3.14Å; L366-Q369 WeakPolarHBondContact O-CG 3.42Å; L366-Q369 PolarHBondContact O-N 3.2Å; L366-Q369 VanDerWaalsContact O-N 3.14Å; A367-Q369 PolarHBondContact O-N 3.13Å; A367-Q369 VanDerWaalsContact O-N 3.14Å; Q369-V389 HydrophobicContact CB-CG2 4.27Å; Q369-V389 WeakPolarHBondContact O-CG2 3.01Å; Q369-V389 PolarHBondContact O-N 3.45Å
370R98.8Very high98.6Very high22 Ų2225.6 Ų25.68%0.08315%0.147CC..EExtended strand (participates in β ladder)trans-95.6120.9167.9-172.4178.3-83.2139.7-6.4109.5E190 D257 F258 D259 F260E190-R370 VanDerWaalsContact CD-NE 3.3Å; E190-R370 IonicContact OE1-CZ 2.75Å; E190-R370 IonicContact OE1-NE 3.68Å; E190-R370 PolarHBondContact OE1-NE 3.16Å; E190-R370 IonicContact OE1-NH2 3.82Å; E190-R370 PolarHBondContact OE1-NH2 2.92Å; E190-R370 WeakPolarHBondContact OE2-CD 3.41Å; E190-R370 WeakPolarHBondContact OE2-CG 3.13Å; E190-R370 IonicContact OE2-CZ 2.78Å; E190-R370 IonicContact OE2-NE 3.37Å; E190-R370 PolarHBondContact OE2-NE 3.03Å; E190-R370 IonicContact OE2-NH2 3.75Å; D257-R370 WeakPolarHBondContact O-CD 3.37Å; D257-R370 PolarHBondContact O-NH1 2.88Å; F258-R370 HydrophobicContact CD1-CG 3.88Å; F258-R370 HydrophobicContact CE1-CG 4.21Å; D259-R370 PolarHBondContact N-O 2.64Å; D259-R370 PolarHBondContact OD2-N 2.86Å; F260-R370 PolarHBondContact N-O 3.47Å; F260-R370 VanDerWaalsContact N-O 3.15Å
371V98.9Very high98.7Very high3 Ų321.3 Ų21.32%0.01813%0.128CC..EExtended strand (participates in β ladder)trans-104.9115.8173.3-171.80000108.6F260 V262 L354 L357 L373 S386 L387 V389F260-V371 HydrophobicContact CB-CG1 4.23Å; F260-V371 HydrophobicContact CB-CG2 4.32Å; F260-V371 HydrophobicContact CD2-CG2 4.31Å; F260-V371 WeakPolarHBondContact O-CA 3.49Å; V262-V371 HydrophobicContact CG2-CG1 3.81Å; L354-V371 HydrophobicContact CD1-CG1 4.17Å; L357-V371 HydrophobicContact CD2-CG1 4.01Å; L357-V371 HydrophobicContact CD2-CG2 4.32Å; V371-L373 HydrophobicContact CB-CD1 4.4Å; V371-L373 HydrophobicContact CG1-CD1 4.05Å; V371-L373 HydrophobicContact CG1-CG 4.45Å; V371-L373 WeakPolarHBondContact O-CD1 3.34Å; V371-S386 CarbonylContact O-C 3.59Å; V371-S386 VanDerWaalsContact O-CA 3.23Å; V371-S386 WeakPolarHBondContact O-CA 3.16Å; V371-L387 PolarHBondContact N-O 2.66Å; V371-L387 PolarHBondContact O-N 3.4Å; V371-V389 HydrophobicContact CG2-CG2 4.1Å
372G98.9Very high98.7Very high0 Ų019.6 Ų19.60%012%0.12CC..EExtended strand (participates in β ladder)trans-84.5135.7169.700000110.9F258 F260 L261 V262 Y385F258-G372 VanDerWaalsContact CE1-CA 3.42Å; F260-G372 PolarHBondContact O-N 3.16Å; L261-G372 WeakPolarHBondContact CA-O 3.33Å; V262-G372 PolarHBondContact N-O 3.14Å; G372-Y385 CarbonylContact C-O 3.53Å; G372-Y385 WeakPolarHBondContact CA-O 3.29Å
373L98.9Very high98.7Very high0 Ų016.3 Ų16.30%010%0.1CC..EExtended strand (participates in β ladder)trans-124.8120179.1-64.295000110.1V262 V350 L354 V371 L384 Y385 L387V262-L373 HydrophobicContact CB-CG 4.2Å; V262-L373 HydrophobicContact CG1-CD2 4.47Å; V262-L373 CarbonylContact O-C 3.58Å; V262-L373 VanDerWaalsContact O-CA 3.3Å; V262-L373 WeakPolarHBondContact O-CA 3.5Å; V350-L373 HydrophobicContact CG2-CD2 4.41Å; L354-L373 HydrophobicContact CB-CD2 4.45Å; L354-L373 HydrophobicContact CD2-CD2 4.16Å; V371-L373 HydrophobicContact CB-CD1 4.4Å; V371-L373 HydrophobicContact CG1-CD1 4.05Å; V371-L373 HydrophobicContact CG1-CG 4.45Å; V371-L373 WeakPolarHBondContact O-CD1 3.34Å; L373-L384 CarbonylContact O-C 3.53Å; L373-L384 VanDerWaalsContact O-CA 3.32Å; L373-L384 WeakPolarHBondContact O-CA 3.42Å; L373-Y385 HydrophobicContact CB-CD1 4.1Å; L373-Y385 HydrophobicContact CB-CD2 4.41Å; L373-Y385 HydrophobicContact CB-CE1 3.65Å; L373-Y385 HydrophobicContact CB-CE2 3.99Å; L373-Y385 HydrophobicContact CB-CG 4.48Å; L373-Y385 HydrophobicContact CD1-CD2 4.33Å; L373-Y385 HydrophobicContact CD1-CE2 3.9Å; L373-Y385 HydrophobicContact CD2-CE2 4.3Å; L373-Y385 HydrophobicContact CG-CE2 4.29Å; L373-Y385 PolarHBondContact N-O 3.17Å; L373-Y385 WeakPolarHBondContact O-CD1 3.4Å; L373-Y385 PolarHBondContact O-N 3.43Å; L373-L387 HydrophobicContact CD1-CB 4.34Å; L373-L387 HydrophobicContact CD1-CD1 3.73Å; L373-L387 HydrophobicContact CD1-CG 3.68Å; L373-L387 HydrophobicContact CD2-CD1 4.43Å
374F98.9Very high98.7Very high0 Ų016 Ų160%010%0.097CC..EExtended strand (participates in β ladder)trans-103.2111.5170.7-179.3-112.4000110.2Y225 A228 L229 C232 V262 F263 H264 Y376 A382 L384Y225-F374 HydrophobicContact CD1-CE1 4.26Å; Y225-F374 HydrophobicContact CD2-CE1 4.34Å; Y225-F374 HydrophobicContact CE1-CD1 4.21Å; Y225-F374 AromaticContact CE1-CE1 3.71Å; Y225-F374 HydrophobicContact CE1-CE1 3.71Å; Y225-F374 HydrophobicContact CE2-CD1 4.32Å; Y225-F374 AromaticContact CE2-CE1 3.83Å; Y225-F374 HydrophobicContact CE2-CE1 3.83Å; Y225-F374 AromaticContact CZ-CD1 3.76Å; Y225-F374 AromaticContact CZ-CE1 3.48Å; Y225-F374 VanDerWaalsContact CZ-CE1 3.48Å; Y225-F374 WeakPolarHBondContact OH-CD1 3.48Å; A228-F374 HydrophobicContact CB-CZ 4.25Å; L229-F374 HydrophobicContact CB-CE1 4.07Å; L229-F374 HydrophobicContact CB-CE2 4.14Å; L229-F374 HydrophobicContact CB-CZ 3.77Å; L229-F374 HydrophobicContact CD1-CB 4.21Å; L229-F374 HydrophobicContact CD1-CD1 3.87Å; L229-F374 HydrophobicContact CD1-CD2 3.65Å; L229-F374 HydrophobicContact CD1-CE1 4.09Å; L229-F374 HydrophobicContact CD1-CE2 3.9Å; L229-F374 HydrophobicContact CD1-CG 3.63Å; L229-F374 HydrophobicContact CD1-CZ 4.1Å; C232-F374 HydrophobicContact CB-CD2 4.29Å; C232-F374 HydrophobicContact CB-CE2 3.92Å; V262-F374 PolarHBondContact O-N 2.85Å; F263-F374 CarbonylContact C-O 3.57Å; F263-F374 WeakPolarHBondContact CA-O 3.19Å; F263-F374 HydrophobicContact CD1-CB 3.66Å; F263-F374 AromaticContact CD1-CD1 3.98Å; F263-F374 HydrophobicContact CD1-CD1 3.98Å; F263-F374 HydrophobicContact CD1-CG 4.21Å; F263-F374 HydrophobicContact CE1-CB 4.13Å; F263-F374 HydrophobicContact CG-CB 4.44Å; H264-F374 PolarHBondContact N-O 2.74Å; F374-Y376 HydrophobicContact CZ-CD2 4.33Å; F374-A382 HydrophobicContact CE2-CB 4.06Å; F374-A382 HydrophobicContact CZ-CB 4.17Å; F374-L384 HydrophobicContact CB-CD1 3.73Å; F374-L384 HydrophobicContact CD2-CB 4.23Å; F374-L384 HydrophobicContact CD2-CD1 4.34Å; F374-L384 HydrophobicContact CG-CD1 4.5Å
375S98.9Very high98.8Very high0 Ų012.6 Ų12.60%07%0.073CC..EExtended strand (participates in β ladder)trans-103.7136.1171.51800000110.1T133 A382 T383T133-S375 WeakPolarHBondContact CB-OG 3.37Å; T133-S375 WeakPolarHBondContact OG1-CB 3.15Å; T133-S375 PolarHBondContact OG1-OG 3.29Å; S375-A382 CarbonylContact O-C 3.56Å; S375-A382 WeakPolarHBondContact O-CA 3.08Å; S375-T383 PolarHBondContact N-O 2.68Å; S375-T383 PolarHBondContact O-N 2.73Å
376Y98.9Very high98.8Very high7 Ų78 Ų83%0.0275%0.052CC..EExtended strand (participates in β ladder)trans-134.5142.9179.2176.6-92.2000109C129 D203 C224 Y225 A228 F374 S378 F380 A382C129-Y376 CarbonylContact C-O 3.49Å; C129-Y376 VanDerWaalsContact CB-O 3.27Å; C129-Y376 WeakPolarHBondContact CB-O 3.43Å; D203-Y376 PolarHBondContact OD2-OH 2.78Å; C224-Y376 WeakPolarHBondContact CB-OH 3.34Å; Y225-Y376 AromaticContact CD2-CD1 3.53Å; Y225-Y376 HydrophobicContact CD2-CD1 3.53Å; Y225-Y376 HydrophobicContact CD2-CD2 4.2Å; Y225-Y376 HydrophobicContact CD2-CE1 4.11Å; Y225-Y376 AromaticContact CD2-CG 3.57Å; Y225-Y376 HydrophobicContact CD2-CG 3.57Å; Y225-Y376 HydrophobicContact CE2-CD1 4.25Å; Y225-Y376 HydrophobicContact CE2-CG 4.1Å; Y225-Y376 HydrophobicContact CG-CD1 4.41Å; Y225-Y376 HydrophobicContact CG-CG 4.34Å; A228-Y376 HydrophobicContact CB-CD2 3.8Å; A228-Y376 HydrophobicContact CB-CE2 3.79Å; F374-Y376 HydrophobicContact CZ-CD2 4.33Å; Y376-S378 WeakPolarHBondContact CE1-OG 3.28Å; Y376-F380 HydrophobicContact CE2-CB 3.84Å; Y376-F380 AromaticContact CE2-CD2 3.98Å; Y376-F380 HydrophobicContact CE2-CD2 3.98Å; Y376-F380 AromaticContact CE2-CG 3.89Å; Y376-F380 HydrophobicContact CE2-CG 3.89Å; Y376-A382 HydrophobicContact CD2-CB 3.94Å
377G98.8Very high98.8Very high0 Ų07.9 Ų7.90%05%0.051CC..EExtended strand (participates in β ladder)trans-142.9131.6164.500000109.3N127 F380 A381N127-G377 PolarHBondContact ND2-O 3.27Å; G377-F380 CarbonylContact O-C 3.6Å; G377-F380 WeakPolarHBondContact O-CA 3.3Å; G377-F380 VanDerWaalsContact O-CB 3.24Å; G377-F380 WeakPolarHBondContact O-CB 3.41Å; G377-A381 PolarHBondContact N-O 3.44Å; G377-A381 PolarHBondContact O-N 3.33Å
378S98.7Very high98.8Very high17 Ų1710.7 Ų10.712%0.1196%0.058CC..THydrogen-bonded Turntrans-55.8160.5-179.5-68.80000114.3N127 D203 F204 Y376N127-S378 PolarHBondContact ND2-O 3.45Å; D203-S378 WeakPolarHBondContact OD1-CB 3.35Å; D203-S378 WeakPolarHBondContact OD2-CB 3.46Å; D203-S378 PolarHBondContact OD2-OG 2.81Å; F204-S378 WeakPolarHBondContact O-CB 3.01Å; Y376-S378 WeakPolarHBondContact CE1-OG 3.28Å
379G98.2Very high98.8Very high26 Ų2610.2 Ų10.227%0.2685%0.053SC..THydrogen-bonded Turntrans108.5-24-173.400000117.5Q199 H200 A201 D203Q199-G379 CarbonylContact O-C 3.57Å; Q199-G379 VanDerWaalsContact O-C 3.27Å; H200-G379 CarbonylContact C-O 3.59Å; H200-G379 WeakPolarHBondContact CA-O 3.45Å; A201-G379 PolarHBondContact N-O 2.78Å; A201-G379 CarbonylContact O-C 3.49Å; A201-G379 WeakPolarHBondContact O-CA 3.48Å; D203-G379 PolarHBondContact OD1-N 3.14Å
380F98.4Very high98.8Very high4 Ų49.9 Ų9.92%0.0186%0.055CC..THydrogen-bonded Turncis-122.9156.7-22.671-106.8000112.1H197 M198 Q199 A201 C224 A228 Y376 G377H197-F380 AromaticContact CD2-CE2 3.36Å; H197-F380 WeakPolarHBondContact CD2-CE2 3.47Å; H197-F380 AromaticContact CD2-CZ 3.43Å; H197-F380 VanDerWaalsContact CD2-CZ 3.43Å; H197-F380 WeakPolarHBondContact CD2-CZ 3.21Å; H197-F380 AromaticContact NE2-CE2 3.84Å; H197-F380 AromaticContact NE2-CZ 3.52Å; M198-F380 WeakPolarHBondContact CA-O 3.34Å; Q199-F380 HydrophobicContact CB-CD1 4.29Å; Q199-F380 HydrophobicContact CB-CE1 3.73Å; Q199-F380 HydrophobicContact CB-CE2 4.08Å; Q199-F380 HydrophobicContact CB-CZ 3.61Å; Q199-F380 HydrophobicContact CG-CE1 4.25Å; Q199-F380 HydrophobicContact CG-CZ 4.43Å; Q199-F380 PolarHBondContact N-O 3.42Å; Q199-F380 PolarHBondContact O-N 3.21Å; A201-F380 HydrophobicContact CB-CD1 3.88Å; C224-F380 HydrophobicContact CB-CD1 3.81Å; C224-F380 HydrophobicContact CB-CE1 4.05Å; A228-F380 HydrophobicContact CB-CD2 4Å; A228-F380 HydrophobicContact CB-CE2 3.52Å; A228-F380 HydrophobicContact CB-CZ 3.98Å; Y376-F380 HydrophobicContact CE2-CB 3.84Å; Y376-F380 AromaticContact CE2-CD2 3.98Å; Y376-F380 HydrophobicContact CE2-CD2 3.98Å; Y376-F380 AromaticContact CE2-CG 3.89Å; Y376-F380 HydrophobicContact CE2-CG 3.89Å; G377-F380 CarbonylContact O-C 3.6Å; G377-F380 WeakPolarHBondContact O-CA 3.3Å; G377-F380 VanDerWaalsContact O-CB 3.24Å; G377-F380 WeakPolarHBondContact O-CB 3.41Å
381A98.9Very high98.8Very high4 Ų415.4 Ų15.43%0.0338%0.081CC..EExtended strand (participates in β ladder)trans-129.913517000000110Y130 M198 G377Y130-A381 HydrophobicContact CD1-CB 3.85Å; Y130-A381 HydrophobicContact CE1-CB 4.3Å; Y130-A381 HydrophobicContact CG-CB 3.99Å; M198-A381 HydrophobicContact CE-CB 4.24Å; M198-A381 HydrophobicContact CG-CB 3.99Å; M198-A381 HydrophobicContact SD-CB 4.46Å; G377-A381 PolarHBondContact N-O 3.44Å; G377-A381 PolarHBondContact O-N 3.33Å
382A98.9Very high98.8Very high0 Ų018.7 Ų18.70%010%0.099CC..EExtended strand (participates in β ladder)trans-145.7152-178.300000112.2T196 H197 A228 F374 S375 Y376T196-A382 WeakPolarHBondContact CA-O 3.41Å; H197-A382 PolarHBondContact N-O 2.89Å; H197-A382 PolarHBondContact O-N 3.16Å; A228-A382 HydrophobicContact CB-CB 3.77Å; F374-A382 HydrophobicContact CE2-CB 4.06Å; F374-A382 HydrophobicContact CZ-CB 4.17Å; S375-A382 CarbonylContact O-C 3.56Å; S375-A382 WeakPolarHBondContact O-CA 3.08Å; Y376-A382 HydrophobicContact CD2-CB 3.94Å
383T98.9Very high98.7Very high0 Ų022.9 Ų22.90%012%0.118CC..EExtended strand (participates in β ladder)trans-149.6130.6171.1-59.50000111.3Y130 F137 R194 G195 T196 S375 Y385Y130-T383 PolarHBondContact OH-OG1 3.36Å; F137-T383 HydrophobicContact CE2-CG2 3.74Å; F137-T383 HydrophobicContact CZ-CG2 3.7Å; R194-T383 HydrophobicContact CB-CG2 4.09Å; G195-T383 CarbonylContact O-C 3.54Å; G195-T383 VanDerWaalsContact O-CA 3.3Å; G195-T383 WeakPolarHBondContact O-CA 3.24Å; T196-T383 WeakPolarHBondContact OG1-CG2 3.39Å; T196-T383 PolarHBondContact OG1-OG1 2.95Å; S375-T383 PolarHBondContact N-O 2.68Å; S375-T383 PolarHBondContact O-N 2.73Å; T383-Y385 HydrophobicContact CG2-CD1 4.31Å
384L98.9Very high98.7Very high0 Ų026.6 Ų26.60%014%0.141CC..EExtended strand (participates in β ladder)trans-92.9124.5160-172.481.7000108.6G195 C232 Y233 Y236 F258 L373 F374G195-L384 PolarHBondContact N-O 3.46Å; G195-L384 PolarHBondContact O-N 3.19Å; C232-L384 HydrophobicContact CB-CB 3.8Å; Y233-L384 HydrophobicContact CD2-CD2 3.61Å; Y233-L384 HydrophobicContact CG-CD2 4.42Å; Y236-L384 HydrophobicContact CD1-CD2 4.13Å; Y236-L384 HydrophobicContact CD2-CD2 4.24Å; Y236-L384 HydrophobicContact CD2-CG 4.4Å; Y236-L384 HydrophobicContact CG-CD2 3.78Å; Y236-L384 HydrophobicContact CG-CG 4.41Å; F258-L384 HydrophobicContact CE2-CD2 4.48Å; F258-L384 HydrophobicContact CZ-CD2 4.3Å; L373-L384 CarbonylContact O-C 3.53Å; L373-L384 VanDerWaalsContact O-CA 3.32Å; L373-L384 WeakPolarHBondContact O-CA 3.42Å; F374-L384 HydrophobicContact CB-CD1 3.73Å; F374-L384 HydrophobicContact CD2-CB 4.23Å; F374-L384 HydrophobicContact CD2-CD1 4.34Å; F374-L384 HydrophobicContact CG-CD1 4.5Å
385Y98.9Very high98.7Very high1 Ų132.5 Ų32.50%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-138177174.466.4-80.1000110.2T133 F137 F189 L193 G372 L373 T383 L387T133-Y385 HydrophobicContact CG2-CE1 4.05Å; F137-Y385 AromaticContact CE1-CD1 3.99Å; F137-Y385 HydrophobicContact CE1-CD1 3.99Å; F137-Y385 HydrophobicContact CE1-CD2 4.17Å; F137-Y385 HydrophobicContact CE1-CE1 4.2Å; F137-Y385 HydrophobicContact CE1-CE2 4.36Å; F137-Y385 AromaticContact CE1-CG 3.96Å; F137-Y385 HydrophobicContact CE1-CG 3.96Å; F137-Y385 AromaticContact CZ-CD1 3.64Å; F137-Y385 HydrophobicContact CZ-CD1 3.64Å; F137-Y385 HydrophobicContact CZ-CE1 4.05Å; F137-Y385 AromaticContact CZ-CG 3.9Å; F137-Y385 HydrophobicContact CZ-CG 3.9Å; F189-Y385 HydrophobicContact CD1-CD2 4.08Å; F189-Y385 HydrophobicContact CD1-CE2 4.39Å; F189-Y385 AromaticContact CE1-CD2 3.63Å; F189-Y385 HydrophobicContact CE1-CD2 3.63Å; F189-Y385 AromaticContact CE1-CE2 3.54Å; F189-Y385 HydrophobicContact CE1-CE2 3.54Å; F189-Y385 HydrophobicContact CZ-CE2 4.11Å; L193-Y385 WeakPolarHBondContact O-CA 3.31Å; G372-Y385 CarbonylContact C-O 3.53Å; G372-Y385 WeakPolarHBondContact CA-O 3.29Å; L373-Y385 HydrophobicContact CB-CD1 4.1Å; L373-Y385 HydrophobicContact CB-CD2 4.41Å; L373-Y385 HydrophobicContact CB-CE1 3.65Å; L373-Y385 HydrophobicContact CB-CE2 3.99Å; L373-Y385 HydrophobicContact CB-CG 4.48Å; L373-Y385 HydrophobicContact CD1-CD2 4.33Å; L373-Y385 HydrophobicContact CD1-CE2 3.9Å; L373-Y385 HydrophobicContact CD2-CE2 4.3Å; L373-Y385 HydrophobicContact CG-CE2 4.29Å; L373-Y385 PolarHBondContact N-O 3.17Å; L373-Y385 WeakPolarHBondContact O-CD1 3.4Å; L373-Y385 PolarHBondContact O-N 3.43Å; T383-Y385 HydrophobicContact CG2-CD1 4.31Å; Y385-L387 HydrophobicContact CE2-CD2 4.31Å; Y385-L387 HydrophobicContact CE2-CG 4.37Å
386S98.9Very high98.6Very high0 Ų034.4 Ų34.40%020%0.2CC..EExtended strand (participates in β ladder)trans-136.9150.7179.258.10000113.4E190 Y236 V371E190-S386 WeakPolarHBondContact CB-OG 3.17Å; E190-S386 PolarHBondContact N-O 2.93Å; E190-S386 VanDerWaalsContact N-O 3.14Å; E190-S386 WeakPolarHBondContact OE2-CB 3.36Å; E190-S386 PolarHBondContact OE2-OG 2.79Å; Y236-S386 VanDerWaalsContact OH-CB 3.23Å; Y236-S386 WeakPolarHBondContact OH-CB 3.47Å; Y236-S386 PolarHBondContact OH-OG 2.94Å; V371-S386 CarbonylContact O-C 3.59Å; V371-S386 VanDerWaalsContact O-CA 3.23Å; V371-S386 WeakPolarHBondContact O-CA 3.16Å
387L98.9Very high98.5Very high0 Ų034.5 Ų34.50%020%0.201CC..EExtended strand (participates in β ladder)trans-113.1140.6170.5-58.2173.6000108.9I19 L187 A188 F189 L354 V371 L373 Y385I19-L387 HydrophobicContact CD1-CD1 4.11Å; L187-L387 HydrophobicContact CB-CB 4.5Å; L187-L387 HydrophobicContact CB-CD1 4.13Å; L187-L387 HydrophobicContact CD1-CD1 4.48Å; A188-L387 CarbonylContact O-C 3.58Å; A188-L387 VanDerWaalsContact O-CA 3.23Å; A188-L387 WeakPolarHBondContact O-CA 3.41Å; F189-L387 HydrophobicContact CB-CD2 4.49Å; F189-L387 HydrophobicContact CD1-CD2 3.87Å; F189-L387 HydrophobicContact CD2-CD2 3.75Å; F189-L387 HydrophobicContact CE1-CD2 3.88Å; F189-L387 HydrophobicContact CE2-CD2 3.76Å; F189-L387 HydrophobicContact CG-CD2 3.8Å; F189-L387 HydrophobicContact CZ-CD2 3.82Å; L354-L387 HydrophobicContact CD2-CD1 4.19Å; V371-L387 PolarHBondContact N-O 2.66Å; V371-L387 PolarHBondContact O-N 3.4Å; L373-L387 HydrophobicContact CD1-CB 4.34Å; L373-L387 HydrophobicContact CD1-CD1 3.73Å; L373-L387 HydrophobicContact CD1-CG 3.68Å; L373-L387 HydrophobicContact CD2-CD1 4.43Å; Y385-L387 HydrophobicContact CE2-CD2 4.31Å; Y385-L387 HydrophobicContact CE2-CG 4.37Å
388R98.8Very high98.5Very high75 Ų7536.4 Ų36.428%0.28322%0.217SC..EExtended strand (participates in β ladder)trans-99.2122.8166.9-179.260.459.3-168.1-2.5108.6A188 E190 G368A188-R388 PolarHBondContact N-O 3.43Å; A188-R388 PolarHBondContact O-N 2.8Å; E190-R388 HydrophobicContact CG-CB 3.96Å; E190-R388 IonicContact OE1-CZ 3.97Å; E190-R388 IonicContact OE1-NE 2.96Å; E190-R388 IonicContact OE1-NH2 2.64Å; E190-R388 PolarHBondContact OE1-NH2 2.71Å; G368-R388 WeakPolarHBondContact O-CD 3.33Å; G368-R388 PolarHBondContact O-NH1 2.95Å
389V98.9Very high98.5Very high3 Ų335.6 Ų35.62%0.01821%0.211CC..EExtended strand (participates in β ladder)trans-75.8137.1171.8-1710000109.3A186 L187 L366 G368 Q369 V371 L399A186-V389 WeakPolarHBondContact O-CA 3.48Å; L187-V389 HydrophobicContact CD2-CB 4.37Å; L187-V389 HydrophobicContact CD2-CG1 4.15Å; L187-V389 HydrophobicContact CD2-CG2 3.8Å; L366-V389 HydrophobicContact CB-CG1 4.17Å; L366-V389 WeakPolarHBondContact O-CB 3.38Å; L366-V389 WeakPolarHBondContact O-CG1 3.12Å; L366-V389 WeakPolarHBondContact O-CG2 3.42Å; G368-V389 VanDerWaalsContact CA-O 3.26Å; G368-V389 WeakPolarHBondContact CA-O 3.5Å; G368-V389 PolarHBondContact N-O 3.25Å; Q369-V389 HydrophobicContact CB-CG2 4.27Å; Q369-V389 WeakPolarHBondContact O-CG2 3.01Å; Q369-V389 PolarHBondContact O-N 3.45Å; V371-V389 HydrophobicContact CG2-CG2 4.1Å; V389-L399 HydrophobicContact CG1-CD1 3.64Å; V389-L399 HydrophobicContact CG1-CD2 3.58Å; V389-L399 HydrophobicContact CG1-CG 4.25Å
390T98.6Very high98.5Very high46 Ų4636.4 Ų36.428%0.28221%0.209SC..PPolyproline II helixtrans-56.7153.3174.2-176.70000111.9A186 A367 G368 D392 L399A186-T390 HydrophobicContact CB-CG2 4.38Å; A186-T390 PolarHBondContact O-N 2.98Å; A367-T390 WeakPolarHBondContact CA-O 3.49Å; G368-T390 PolarHBondContact N-O 3.46Å; T390-D392 WeakPolarHBondContact CG2-O 3.3Å; T390-D392 PolarHBondContact OG1-N 2.91Å; T390-L399 HydrophobicContact CG2-CB 3.75Å; T390-L399 HydrophobicContact CG2-CD2 4.21Å
391Q98.4Very high98.5Very high137 Ų13742.8 Ų42.864%0.6424%0.237SC*.SBendtrans-78.1-24.1173.3-67.1-69.5-6.500112.1G368 H393G368-Q391 VanDerWaalsContact CA-NE2 3.34Å; Q391-H393 PolarHBondContact O-N 2.88Å; Q391-H393 VanDerWaalsContact O-N 3.16Å; Q391-H393 PolarHBondContact O-ND1 3.07Å
392D98.3Very high98.5Very high73 Ų7342.8 Ų42.839%0.3924%0.236SC..  trans-74.9106179.7-179.219000110.6T390 T394 S397 L399T390-D392 WeakPolarHBondContact CG2-O 3.3Å; T390-D392 PolarHBondContact OG1-N 2.91Å; D392-T394 WeakPolarHBondContact OD1-CB 3.48Å; D392-T394 WeakPolarHBondContact OD1-CG2 3.17Å; D392-T394 PolarHBondContact OD1-N 2.94Å; D392-T394 VanDerWaalsContact OD1-N 3.09Å; D392-T394 PolarHBondContact OD1-OG1 3.23Å; D392-S397 PolarHBondContact O-OG 2.88Å; D392-S397 WeakPolarHBondContact OD2-CB 3.28Å; D392-L399 WeakPolarHBondContact O-CB 3.21Å
393H98.1Very high98.5Very high87 Ų8743.1 Ų43.140%0.40324%0.239SC..  trans-119.920177.761.5-82.5000111.4A363 A367 Q391 L399A363-H393 HydrophobicContact CB-CB 3.86Å; A367-H393 HydrophobicContact CB-CB 4.02Å; Q391-H393 PolarHBondContact O-N 2.88Å; Q391-H393 VanDerWaalsContact O-N 3.16Å; Q391-H393 PolarHBondContact O-ND1 3.07Å; H393-L399 HydrophobicContact CB-CD2 4.16Å
394T98.3Very high98.4Very high78 Ų7846.2 Ų46.248%0.47926%0.26SS..SBendtrans-67.7152.9179.459.30000110.9D392 G396 S397 D400D392-T394 WeakPolarHBondContact OD1-CB 3.48Å; D392-T394 WeakPolarHBondContact OD1-CG2 3.17Å; D392-T394 PolarHBondContact OD1-N 2.94Å; D392-T394 VanDerWaalsContact OD1-N 3.09Å; D392-T394 PolarHBondContact OD1-OG1 3.23Å; T394-G396 PolarHBondContact O-N 3.28Å; T394-S397 WeakPolarHBondContact O-CB 3.43Å; T394-S397 PolarHBondContact O-N 3.17Å; T394-S397 PolarHBondContact O-OG 3.09Å; T394-D400 WeakPolarHBondContact O-CB 3.22Å
395P98.1Very high98.4Very high124 Ų12446.8 Ų46.881%0.80526%0.264SS*.THydrogen-bonded Turntrans-53.6128.3176-27.835.9000112.1S397 D400P395-S397 VanDerWaalsContact C-N 3.3Å; P395-S397 PolarHBondContact O-N 3.49Å; P395-D400 WeakPolarHBondContact CA-OD2 3.29Å
396G96.8Very high98.4Very high41 Ų4146.7 Ų46.742%0.42326%0.264SS..THydrogen-bonded Turntrans82.2-2.7-176.600000115.8T394 D400 K401T394-G396 PolarHBondContact O-N 3.28Å; G396-D400 PolarHBondContact N-OD2 3.19Å; G396-K401 WeakPolarHBondContact O-CE 3.28Å; G396-K401 PolarHBondContact O-NZ 3.49Å
397S98.3Very high98.2Very high8 Ų850.8 Ų50.86%0.05629%0.289CS..SBendtrans-60.4166.5170.565.60000111.8D392 T394 P395 L399 D400 K401D392-S397 PolarHBondContact O-OG 2.88Å; D392-S397 WeakPolarHBondContact OD2-CB 3.28Å; T394-S397 WeakPolarHBondContact O-CB 3.43Å; T394-S397 PolarHBondContact O-N 3.17Å; T394-S397 PolarHBondContact O-OG 3.09Å; P395-S397 VanDerWaalsContact C-N 3.3Å; P395-S397 PolarHBondContact O-N 3.49Å; S397-L399 VanDerWaalsContact C-N 3.26Å; S397-L399 PolarHBondContact O-N 2.89Å; S397-D400 PolarHBondContact O-N 3.41Å; S397-D400 WeakPolarHBondContact OG-CB 3.45Å; S397-D400 PolarHBondContact OG-N 2.65Å; S397-K401 WeakPolarHBondContact O-CB 3.5Å; S397-K401 WeakPolarHBondContact O-CG 3.11Å; S397-K401 PolarHBondContact O-N 2.67Å
398A97.9Very high98.1Very high40 Ų4053.4 Ų53.433%0.33130%0.303SS..Hα-helixtrans-60.4-37.7176.800000112.1A186 L402A186-A398 HydrophobicContact CB-CB 4.07Å; A398-L402 WeakPolarHBondContact O-CB 3.2Å; A398-L402 PolarHBondContact O-N 2.97Å
399L98.7Very high98.1Very high0 Ų049.9 Ų49.90%029%0.289CS..Hα-helixtrans-71-44.5178.4-17859.4000112A186 A363 L366 A367 V389 T390 D392 H393 S397 L402 V403A186-L399 HydrophobicContact CB-CB 4.23Å; A186-L399 HydrophobicContact CB-CD1 4.37Å; A363-L399 HydrophobicContact CB-CD2 4.14Å; A363-L399 HydrophobicContact CB-CG 3.91Å; A363-L399 WeakPolarHBondContact O-CD2 3.41Å; L366-L399 HydrophobicContact CB-CD1 4.48Å; L366-L399 HydrophobicContact CB-CD2 4.45Å; A367-L399 HydrophobicContact CB-CD2 4.4Å; V389-L399 HydrophobicContact CG1-CD1 3.64Å; V389-L399 HydrophobicContact CG1-CD2 3.58Å; V389-L399 HydrophobicContact CG1-CG 4.25Å; T390-L399 HydrophobicContact CG2-CB 3.75Å; T390-L399 HydrophobicContact CG2-CD2 4.21Å; D392-L399 WeakPolarHBondContact O-CB 3.21Å; H393-L399 HydrophobicContact CB-CD2 4.16Å; S397-L399 VanDerWaalsContact C-N 3.26Å; S397-L399 PolarHBondContact O-N 2.89Å; L399-L402 PolarHBondContact O-N 3.33Å; L399-V403 HydrophobicContact CD1-CG2 4.16Å; L399-V403 HydrophobicContact CG-CG2 4.43Å; L399-V403 WeakPolarHBondContact O-CB 3.45Å; L399-V403 VanDerWaalsContact O-CG2 3.29Å; L399-V403 WeakPolarHBondContact O-CG2 3.47Å; L399-V403 PolarHBondContact O-N 3.37Å
400D98.6Very high98Very high43 Ų4354.9 Ų54.923%0.2331%0.308CS..Hα-helixtrans-58.2-49.1175.9-175.854.9000110.7A363 T394 P395 G396 S397 L402 V403 S404A363-D400 HydrophobicContact CB-CB 4.44Å; T394-D400 WeakPolarHBondContact O-CB 3.22Å; P395-D400 WeakPolarHBondContact CA-OD2 3.29Å; G396-D400 PolarHBondContact N-OD2 3.19Å; S397-D400 PolarHBondContact O-N 3.41Å; S397-D400 WeakPolarHBondContact OG-CB 3.45Å; S397-D400 PolarHBondContact OG-N 2.65Å; D400-L402 PolarHBondContact O-N 3.1Å; D400-V403 PolarHBondContact O-N 2.82Å; D400-S404 WeakPolarHBondContact O-CB 3.42Å; D400-S404 PolarHBondContact O-N 3.05Å; D400-S404 PolarHBondContact O-OG 3.15Å
401K98.5Very high98Very high138 Ų13857.7 Ų57.760%0.633%0.325SS*.Hα-helixtrans-54.6-51.8174.4-74.8172.5179165.60111.7G396 S397 V403 S404 S405G396-K401 WeakPolarHBondContact O-CE 3.28Å; G396-K401 PolarHBondContact O-NZ 3.49Å; S397-K401 WeakPolarHBondContact O-CB 3.5Å; S397-K401 WeakPolarHBondContact O-CG 3.11Å; S397-K401 PolarHBondContact O-N 2.67Å; K401-V403 VanDerWaalsContact C-N 3.33Å; K401-V403 PolarHBondContact O-N 2.66Å; K401-S404 PolarHBondContact O-N 3.31Å; K401-S405 WeakPolarHBondContact O-CB 3.46Å; K401-S405 PolarHBondContact O-N 3.31Å
402L98.6Very high98Very high4 Ų452.4 Ų52.42%0.02130%0.299CS..Hα-helixtrans-59.1-42.3179.8177.462.4000112.4M22 A186 L187 I358 A398 L399 D400 S405 L406M22-L402 HydrophobicContact CB-CD1 4.03Å; A186-L402 HydrophobicContact CB-CD2 4.07Å; L187-L402 HydrophobicContact CD1-CD2 3.7Å; L187-L402 HydrophobicContact CD2-CD2 4.3Å; L187-L402 HydrophobicContact CG-CD2 3.71Å; I358-L402 HydrophobicContact CD1-CD2 4.3Å; A398-L402 WeakPolarHBondContact O-CB 3.2Å; A398-L402 PolarHBondContact O-N 2.97Å; L399-L402 PolarHBondContact O-N 3.33Å; D400-L402 PolarHBondContact O-N 3.1Å; L402-S405 WeakPolarHBondContact O-CB 3.4Å; L402-S405 PolarHBondContact O-N 3.49Å; L402-S405 PolarHBondContact O-OG 3.49Å; L402-L406 HydrophobicContact CD1-CD1 4.46Å
403V98.6Very high98Very high8 Ų848.9 Ų48.95%0.04828%0.28CS..Hα-helixtrans-65.5-55.7178.3167.70000110.9I358 H361 A363 L366 L399 D400 K401 S405 L406 T407I358-V403 HydrophobicContact CG2-CB 4.39Å; I358-V403 HydrophobicContact CG2-CG2 3.84Å; H361-V403 VanDerWaalsContact O-CG1 3.32Å; H361-V403 WeakPolarHBondContact O-CG1 3.48Å; A363-V403 HydrophobicContact CB-CG2 4.29Å; L366-V403 HydrophobicContact CD1-CG2 3.77Å; L399-V403 HydrophobicContact CD1-CG2 4.16Å; L399-V403 HydrophobicContact CG-CG2 4.43Å; L399-V403 WeakPolarHBondContact O-CB 3.45Å; L399-V403 VanDerWaalsContact O-CG2 3.29Å; L399-V403 WeakPolarHBondContact O-CG2 3.47Å; L399-V403 PolarHBondContact O-N 3.37Å; D400-V403 PolarHBondContact O-N 2.82Å; K401-V403 VanDerWaalsContact C-N 3.33Å; K401-V403 PolarHBondContact O-N 2.66Å; V403-S405 PolarHBondContact O-N 3.44Å; V403-L406 PolarHBondContact O-N 2.91Å; V403-T407 HydrophobicContact CG1-CG2 4.39Å; V403-T407 WeakPolarHBondContact O-CG2 3.18Å; V403-T407 PolarHBondContact O-N 3.11Å
404S98.2Very high98Very high65 Ų6548.3 Ų48.346%0.45528%0.28SS..Hα-helixtrans-53-29.7175.1-57.90000111.5D400 K401 L406 T407D400-S404 WeakPolarHBondContact O-CB 3.42Å; D400-S404 PolarHBondContact O-N 3.05Å; D400-S404 PolarHBondContact O-OG 3.15Å; K401-S404 PolarHBondContact O-N 3.31Å; S404-L406 PolarHBondContact O-N 3.3Å; S404-T407 PolarHBondContact O-OG1 2.56Å; S404-T407 VanDerWaalsContact O-OG1 3.09Å
405S98.2Very high98Very high11 Ų1148 Ų488%0.07728%0.282CS..THydrogen-bonded Turntrans-66.8-18.1179.4105.70000114R79 K401 L402 V403R79-S405 PolarHBondContact NH1-O 3.24Å; R79-S405 PolarHBondContact NH2-O 2.7Å; R79-S405 PolarHBondContact NH2-OG 3.39Å; K401-S405 WeakPolarHBondContact O-CB 3.46Å; K401-S405 PolarHBondContact O-N 3.31Å; L402-S405 WeakPolarHBondContact O-CB 3.4Å; L402-S405 PolarHBondContact O-N 3.49Å; L402-S405 PolarHBondContact O-OG 3.49Å; V403-S405 PolarHBondContact O-N 3.44Å
406L98.3Very high98.1Very high0 Ų042.7 Ų42.70%025%0.245CC..THydrogen-bonded Turntrans-122.6-2.4-173.2-63.8170.3000113.1M22 L24 A355 I358 A359 L402 V403 S404 D408 L409M22-L406 HydrophobicContact CE-CD1 3.48Å; M22-L406 VanDerWaalsContact CE-CD1 3.48Å; L24-L406 HydrophobicContact CD2-CD2 3.55Å; A355-L406 HydrophobicContact CB-CD1 4.24Å; A355-L406 HydrophobicContact CB-CD2 4.42Å; I358-L406 HydrophobicContact CB-CD1 3.9Å; I358-L406 HydrophobicContact CD1-CD1 4.18Å; I358-L406 HydrophobicContact CG2-CD1 3.76Å; A359-L406 HydrophobicContact CB-CB 4.09Å; A359-L406 WeakPolarHBondContact CB-O 3.29Å; L402-L406 HydrophobicContact CD1-CD1 4.46Å; V403-L406 PolarHBondContact O-N 2.91Å; S404-L406 PolarHBondContact O-N 3.3Å; L406-D408 PolarHBondContact O-N 3.22Å; L406-L409 WeakPolarHBondContact O-CB 3.16Å; L406-L409 PolarHBondContact O-N 2.97Å; L406-L409 VanDerWaalsContact O-N 3.08Å
407T96Very high98.1Very high85 Ų8547.1 Ų47.152%0.52125%0.249SC..THydrogen-bonded Turntrans-62.8-24-176.448.70000113.4V403 S404 L409V403-T407 HydrophobicContact CG1-CG2 4.39Å; V403-T407 WeakPolarHBondContact O-CG2 3.18Å; V403-T407 PolarHBondContact O-N 3.11Å; S404-T407 PolarHBondContact O-OG1 2.56Å; S404-T407 VanDerWaalsContact O-OG1 3.09Å; T407-L409 VanDerWaalsContact C-N 3.27Å; T407-L409 PolarHBondContact O-N 2.81Å
408D96.6Very high98.2Very high56 Ų5651.9 Ų51.930%0.29927%0.269SS..THydrogen-bonded Turntrans-80.8-1.8178.276.6-20.1000113.8L406 R410 V411 R412L406-D408 PolarHBondContact O-N 3.22Å; D408-R410 VanDerWaalsContact C-N 3.29Å; D408-R410 PolarHBondContact O-N 2.87Å; D408-V411 WeakPolarHBondContact O-CB 3.35Å; D408-V411 PolarHBondContact O-N 3.41Å; D408-R412 VanDerWaalsContact CG-CD 3.4Å; D408-R412 WeakPolarHBondContact O-CG 3.11Å; D408-R412 PolarHBondContact O-N 3.48Å; D408-R412 WeakPolarHBondContact OD1-CD 3.33Å; D408-R412 WeakPolarHBondContact OD2-CD 3.3Å
409L98.3Very high98.2Very high0 Ų051.3 Ų51.30%026%0.26CS..Hα-helixtrans-52.6-44.5-174.3174.459.6000112.8L24 F26 L337 A359 L406 T407 R412 L413L24-L409 HydrophobicContact CD1-CD1 3.63Å; L24-L409 HydrophobicContact CD2-CD1 3.99Å; L24-L409 HydrophobicContact CG-CD1 4.48Å; F26-L409 HydrophobicContact CE1-CD1 3.73Å; F26-L409 HydrophobicContact CZ-CD1 4.33Å; L337-L409 HydrophobicContact CD2-CD2 4.24Å; L337-L409 HydrophobicContact CD2-CG 4.44Å; A359-L409 HydrophobicContact CB-CB 3.88Å; A359-L409 HydrophobicContact CB-CD2 3.77Å; A359-L409 HydrophobicContact CB-CG 4.45Å; L406-L409 WeakPolarHBondContact O-CB 3.16Å; L406-L409 PolarHBondContact O-N 2.97Å; L406-L409 VanDerWaalsContact O-N 3.08Å; T407-L409 VanDerWaalsContact C-N 3.27Å; T407-L409 PolarHBondContact O-N 2.81Å; L409-R412 PolarHBondContact O-N 2.86Å; L409-L413 HydrophobicContact CD1-CD1 4.09Å; L409-L413 HydrophobicContact CD1-CG 4.27Å; L409-L413 HydrophobicContact CG-CD1 4.15Å; L409-L413 WeakPolarHBondContact O-CG 3.22Å; L409-L413 PolarHBondContact O-N 3.07Å
410R97.8Very high98.2Very high108 Ų10854.1 Ų54.141%0.40828%0.28SS..Hα-helixtrans-64.9-44.4179.7-175.669.5-163.1-160.12.2111.4L337 D408 R412 L413 D414L337-R410 VanDerWaalsContact CD1-NH1 3.28Å; D408-R410 VanDerWaalsContact C-N 3.29Å; D408-R410 PolarHBondContact O-N 2.87Å; R410-R412 VanDerWaalsContact C-N 3.34Å; R410-R412 PolarHBondContact O-N 2.99Å; R410-L413 PolarHBondContact O-N 2.72Å; R410-D414 IonicContact CZ-OD1 3.58Å; R410-D414 IonicContact CZ-OD2 3.42Å; R410-D414 IonicContact NE-OD1 2.66Å; R410-D414 IonicContact NE-OD2 3.55Å; R410-D414 PolarHBondContact NE-OD2 2.68Å; R410-D414 IonicContact NH2-OD1 2.71Å; R410-D414 PolarHBondContact NH2-OD1 3.32Å; R410-D414 IonicContact NH2-OD2 2.93Å; R410-D414 PolarHBondContact NH2-OD2 3.36Å; R410-D414 PolarHBondContact O-N 2.85Å
411V98.1Very high98.2Very high105 Ų10552.7 Ų52.764%0.63627%0.272SS*.Hα-helixtrans-61-45.7178.2178.50000110D408 L413 D414 S415D408-V411 WeakPolarHBondContact O-CB 3.35Å; D408-V411 PolarHBondContact O-N 3.41Å; V411-L413 PolarHBondContact O-N 2.95Å; V411-D414 PolarHBondContact O-N 3.19Å; V411-S415 WeakPolarHBondContact O-CB 3.45Å; V411-S415 PolarHBondContact O-N 3.32Å
412R98.3Very high98.2Very high26 Ų2648.5 Ų48.510%0.09826%0.263CS..Hα-helixtrans-60.3-42.8175.8-69.8171.253.4-174.63112.4E23 L24 F26 D408 L409 R410 S415E23-R412 IonicContact OE1-NH1 2.69Å; L24-R412 PolarHBondContact O-NH2 3.39Å; F26-R412 HydrophobicContact CE2-CB 4.37Å; F26-R412 HydrophobicContact CZ-CB 3.79Å; D408-R412 VanDerWaalsContact CG-CD 3.4Å; D408-R412 WeakPolarHBondContact O-CG 3.11Å; D408-R412 PolarHBondContact O-N 3.48Å; D408-R412 WeakPolarHBondContact OD1-CD 3.33Å; D408-R412 WeakPolarHBondContact OD2-CD 3.3Å; L409-R412 PolarHBondContact O-N 2.86Å; R410-R412 VanDerWaalsContact C-N 3.34Å; R410-R412 PolarHBondContact O-N 2.99Å; R412-S415 PolarHBondContact O-N 3.47Å; R412-S415 PolarHBondContact O-OG 2.92Å
413L98.7Very high98.1Very high0 Ų049.8 Ų49.80%028%0.275CS..Hα-helixtrans-64.5-41.1177.6-78.6168.1000112.8F26 L337 L338 Q341 L409 R410 V411 S415 R416F26-L413 HydrophobicContact CD1-CD2 4.26Å; F26-L413 HydrophobicContact CD2-CD2 4.33Å; F26-L413 HydrophobicContact CE1-CD2 3.78Å; F26-L413 HydrophobicContact CE1-CG 4.02Å; F26-L413 HydrophobicContact CE2-CD2 3.88Å; F26-L413 HydrophobicContact CE2-CG 4.33Å; F26-L413 HydrophobicContact CZ-CB 4.44Å; F26-L413 HydrophobicContact CZ-CD2 3.58Å; F26-L413 HydrophobicContact CZ-CG 3.67Å; L337-L413 HydrophobicContact CD1-CD1 4.45Å; L337-L413 HydrophobicContact CG-CD1 4.16Å; L338-L413 HydrophobicContact CD1-CD1 4.16Å; L338-L413 HydrophobicContact CD1-CD2 3.64Å; L338-L413 HydrophobicContact CD1-CG 4.33Å; Q341-L413 HydrophobicContact CB-CD1 4Å; Q341-L413 HydrophobicContact CB-CD2 4.08Å; Q341-L413 HydrophobicContact CG-CD1 4.37Å; L409-L413 HydrophobicContact CD1-CD1 4.09Å; L409-L413 HydrophobicContact CD1-CG 4.27Å; L409-L413 HydrophobicContact CG-CD1 4.15Å; L409-L413 WeakPolarHBondContact O-CG 3.22Å; L409-L413 PolarHBondContact O-N 3.07Å; R410-L413 PolarHBondContact O-N 2.72Å; V411-L413 PolarHBondContact O-N 2.95Å; L413-S415 VanDerWaalsContact C-N 3.33Å; L413-R416 PolarHBondContact O-NE 2.69Å; L413-R416 PolarHBondContact O-NH2 3.32Å
414D98.3Very high98.1Very high75 Ų7549.6 Ų49.640%0.40127%0.273SS..Hα-helixtrans-79.1-17-179.4-71.1-33.5000112.3R55 R410 V411 R416R55-D414 IonicContact CZ-OD1 3.72Å; R55-D414 IonicContact NH1-OD1 3.96Å; R55-D414 PolarHBondContact NH1-OD1 3.33Å; R410-D414 IonicContact CZ-OD1 3.58Å; R410-D414 IonicContact CZ-OD2 3.42Å; R410-D414 IonicContact NE-OD1 2.66Å; R410-D414 IonicContact NE-OD2 3.55Å; R410-D414 PolarHBondContact NE-OD2 2.68Å; R410-D414 IonicContact NH2-OD1 2.71Å; R410-D414 PolarHBondContact NH2-OD1 3.32Å; R410-D414 IonicContact NH2-OD2 2.93Å; R410-D414 PolarHBondContact NH2-OD2 3.36Å; R410-D414 PolarHBondContact O-N 2.85Å; V411-D414 PolarHBondContact O-N 3.19Å; D414-R416 VanDerWaalsContact C-N 3.25Å; D414-R416 PolarHBondContact O-N 3.44Å
415S98.2Very high98Very high72 Ų7247.5 Ų47.550%0.50326%0.259SS..THydrogen-bonded Turntrans-73.9-11.3173.175.70000114.6V411 R412 L413 F450V411-S415 WeakPolarHBondContact O-CB 3.45Å; V411-S415 PolarHBondContact O-N 3.32Å; R412-S415 PolarHBondContact O-N 3.47Å; R412-S415 PolarHBondContact O-OG 2.92Å; L413-S415 VanDerWaalsContact C-N 3.33Å; S415-F450 WeakPolarHBondContact OG-CE1 3.33Å
416R98.6Very high98Very high11 Ų1152.7 Ų52.74%0.04228%0.282CS..SBendtrans-69.2153.7-178.2-68.7-179.5-63.2164.59.1112.1F26 P27 S28 Y30 Q341 N342 L413 D414 F450F26-R416 HydrophobicContact CD2-CG 4.44Å; F26-R416 HydrophobicContact CE2-CG 4.2Å; P27-R416 WeakPolarHBondContact O-CD 3.46Å; S28-R416 CarbonylContact O-C 3.45Å; S28-R416 WeakPolarHBondContact O-CA 3.44Å; S28-R416 WeakPolarHBondContact O-CB 3.27Å; Y30-R416 HydrophobicContact CD1-CB 3.61Å; Y30-R416 HydrophobicContact CE1-CB 3.94Å; Q341-R416 VanDerWaalsContact O-CZ 3.27Å; Q341-R416 PolarHBondContact O-NH1 3.39Å; Q341-R416 PolarHBondContact O-NH2 2.96Å; N342-R416 PolarHBondContact OD1-NH1 3.12Å; L413-R416 PolarHBondContact O-NE 2.69Å; L413-R416 PolarHBondContact O-NH2 3.32Å; D414-R416 VanDerWaalsContact C-N 3.25Å; D414-R416 PolarHBondContact O-N 3.44Å; R416-F450 HydrophobicContact CG-CE2 4.27Å; R416-F450 HydrophobicContact CG-CZ 3.7Å
417R98.3Very high97.9Very high135 Ų13554 Ų5451%0.50929%0.288SS..EExtended strand (participates in β ladder)trans-81.6122.2175.8-174.6176.4176.8-178.2-3111.2S28 Q29 Y30 M419 D448S28-R417 PolarHBondContact O-N 3.3Å; Q29-R417 VanDerWaalsContact CA-O 3.27Å; Q29-R417 WeakPolarHBondContact CA-O 3.49Å; Y30-R417 PolarHBondContact N-O 3.03Å; R417-M419 HydrophobicContact CG-SD 4.13Å; R417-D448 IonicContact NH1-OD1 2.68Å; R417-D448 PolarHBondContact NH1-OD1 2.93Å; R417-D448 IonicContact NH1-OD2 2.76Å
418K98.7Very high98Very high107 Ų10750.6 Ų50.647%0.46527%0.267SS..EExtended strand (participates in β ladder)trans-71.3129.3167.9-170.7173.663.5161.60110.2Y30 D32 E35Y30-K418 HydrophobicContact CD2-CG 4.41Å; Y30-K418 HydrophobicContact CE1-CB 4.21Å; Y30-K418 HydrophobicContact CE2-CB 3.86Å; Y30-K418 HydrophobicContact CE2-CD 4.16Å; Y30-K418 HydrophobicContact CE2-CG 3.68Å; D32-K418 HydrophobicContact CB-CD 4.07Å; E35-K418 IonicContact OE1-NZ 3Å; E35-K418 PolarHBondContact OE1-NZ 2.85Å
419M98.5Very high97.9Very high28 Ų2852.8 Ų52.814%0.13827%0.274CS..EExtended strand (participates in β ladder)trans-112.5144175.2-63.5-62.8-73.600110Q29 Y30 F58 R417 A423 I427Q29-M419 HydrophobicContact CB-CG 3.96Å; Y30-M419 PolarHBondContact O-N 3.07Å; F58-M419 HydrophobicContact CE1-CB 4.17Å; F58-M419 HydrophobicContact CE1-CG 4.41Å; F58-M419 HydrophobicContact CZ-CB 3.86Å; F58-M419 HydrophobicContact CZ-CG 3.88Å; R417-M419 HydrophobicContact CG-SD 4.13Å; M419-A423 HydrophobicContact CE-CB 3.95Å; M419-I427 HydrophobicContact CE-CD1 4.34Å
420S98.6Very high97.9Very high60 Ų6054.4 Ų54.442%0.4228%0.282SS..  trans-68.8151176.367.70000110.9A422 A423 F424S420-A422 PolarHBondContact O-N 3.41Å; S420-A423 PolarHBondContact O-N 3.03Å; S420-A423 VanDerWaalsContact O-N 3.08Å; S420-A423 WeakPolarHBondContact OG-CB 3.38Å; S420-A423 PolarHBondContact OG-N 3.1Å; S420-F424 PolarHBondContact O-N 3.3Å
421P98.5Very high97.8Very high12 Ų1250.5 Ų50.58%0.07827%0.267CS..Hα-helixtrans-54.8-33.2175.8-29.536000114.6V31 E35 L36 F39 S425V31-P421 HydrophobicContact CG2-CB 4.36Å; V31-P421 HydrophobicContact CG2-CG 4.06Å; E35-P421 HydrophobicContact CB-CG 3.78Å; E35-P421 WeakPolarHBondContact O-CG 3.26Å; L36-P421 HydrophobicContact CD1-CB 4.03Å; F39-P421 HydrophobicContact CB-CB 3.45Å; F39-P421 VanDerWaalsContact CB-CB 3.45Å; F39-P421 HydrophobicContact CB-CG 3.91Å; F39-P421 HydrophobicContact CD1-CB 3.84Å; F39-P421 HydrophobicContact CD2-CB 3.71Å; F39-P421 HydrophobicContact CE1-CB 4.5Å; F39-P421 HydrophobicContact CE2-CB 4.39Å; F39-P421 HydrophobicContact CG-CB 3.38Å; F39-P421 HydrophobicContact CG-CG 4.34Å; P421-S425 WeakPolarHBondContact O-CB 3.47Å; P421-S425 PolarHBondContact O-N 2.79Å; P421-S425 PolarHBondContact O-OG 3.18Å
422A98.3Very high97.5Very high50 Ų5050.9 Ų50.941%0.41326%0.262SS..Hα-helixtrans-66.7-47.4174.800000111.9F39 S420 F424 S425 E426F39-A422 HydrophobicContact CE2-CB 4.12Å; S420-A422 PolarHBondContact O-N 3.41Å; A422-F424 VanDerWaalsContact C-N 3.35Å; A422-F424 PolarHBondContact O-N 3.19Å; A422-S425 PolarHBondContact O-N 3.1Å; A422-E426 PolarHBondContact O-N 3.3Å
423A97.9Very high97.4Very high31 Ų3155.1 Ų55.126%0.25628%0.283SS..Hα-helixtrans-64.6-40.4177.200000111.8M419 S420 S425 E426 I427M419-A423 HydrophobicContact CE-CB 3.95Å; S420-A423 PolarHBondContact O-N 3.03Å; S420-A423 VanDerWaalsContact O-N 3.08Å; S420-A423 WeakPolarHBondContact OG-CB 3.38Å; S420-A423 PolarHBondContact OG-N 3.1Å; A423-S425 VanDerWaalsContact C-N 3.35Å; A423-S425 PolarHBondContact O-N 2.99Å; A423-E426 PolarHBondContact O-N 3.34Å; A423-I427 WeakPolarHBondContact O-CG1 3.5Å; A423-I427 PolarHBondContact O-N 3.41Å
424F97.9Very high97.1Very high4 Ų456.2 Ų56.22%0.01829%0.29CS..Hα-helixtrans-56.7-47.6171.1162.9-108.3000111.7V31 L36 M56 F58 R169 S420 A422 E426 I427 M428V31-F424 HydrophobicContact CB-CB 4.1Å; V31-F424 HydrophobicContact CB-CD1 4.48Å; V31-F424 HydrophobicContact CB-CD2 4.45Å; V31-F424 HydrophobicContact CB-CG 4.09Å; V31-F424 HydrophobicContact CG1-CD1 4.19Å; V31-F424 HydrophobicContact CG1-CD2 4.14Å; V31-F424 HydrophobicContact CG1-CE1 4.42Å; V31-F424 HydrophobicContact CG1-CE2 4.38Å; V31-F424 HydrophobicContact CG1-CG 4.04Å; V31-F424 HydrophobicContact CG2-CB 4.21Å; V31-F424 HydrophobicContact CG2-CD1 4.42Å; V31-F424 HydrophobicContact CG2-CG 4.37Å; L36-F424 HydrophobicContact CD1-CD1 4.45Å; M56-F424 HydrophobicContact CE-CE1 3.94Å; M56-F424 HydrophobicContact CE-CE2 3.91Å; M56-F424 HydrophobicContact CE-CZ 3.38Å; F58-F424 HydrophobicContact CB-CD2 4.34Å; F58-F424 HydrophobicContact CB-CE2 4.08Å; F58-F424 AromaticContact CD1-CD2 3.53Å; F58-F424 HydrophobicContact CD1-CD2 3.53Å; F58-F424 HydrophobicContact CD1-CE2 4.01Å; F58-F424 HydrophobicContact CD2-CD2 4.01Å; F58-F424 HydrophobicContact CD2-CE2 4.5Å; F58-F424 HydrophobicContact CE1-CB 4.2Å; F58-F424 AromaticContact CE1-CD2 3.7Å; F58-F424 HydrophobicContact CE1-CD2 3.7Å; F58-F424 HydrophobicContact CE1-CG 4.35Å; F58-F424 HydrophobicContact CE2-CD2 4.17Å; F58-F424 AromaticContact CG-CD2 3.69Å; F58-F424 HydrophobicContact CG-CD2 3.69Å; F58-F424 AromaticContact CG-CE2 3.94Å; F58-F424 HydrophobicContact CG-CE2 3.94Å; F58-F424 HydrophobicContact CZ-CB 4.18Å; F58-F424 HydrophobicContact CZ-CD2 4.02Å; R169-F424 HydrophobicContact CG-CE1 4.31Å; R169-F424 HydrophobicContact CG-CZ 4.39Å; S420-F424 PolarHBondContact O-N 3.3Å; A422-F424 VanDerWaalsContact C-N 3.35Å; A422-F424 PolarHBondContact O-N 3.19Å; F424-E426 VanDerWaalsContact C-N 3.34Å; F424-E426 PolarHBondContact O-N 3.4Å; F424-I427 PolarHBondContact O-N 3.11Å; F424-M428 HydrophobicContact CD2-CE 4.41Å; F424-M428 HydrophobicContact CD2-CG 3.94Å; F424-M428 HydrophobicContact CD2-SD 4.47Å; F424-M428 HydrophobicContact CE1-CG 4.19Å; F424-M428 HydrophobicContact CE2-CE 4.06Å; F424-M428 HydrophobicContact CE2-CG 3.42Å; F424-M428 VanDerWaalsContact CE2-CG 3.42Å; F424-M428 HydrophobicContact CE2-SD 3.67Å; F424-M428 HydrophobicContact CZ-CG 3.56Å; F424-M428 HydrophobicContact CZ-SD 4.08Å; F424-M428 WeakPolarHBondContact O-CG 3.29Å; F424-M428 PolarHBondContact O-N 2.91Å
425S96.9Very high96.8Very high21 Ų2154.6 Ų54.615%0.14728%0.28CS..Hα-helixtrans-62.1-39.4-180-64.10000112.6F39 P421 A422 A423 M428 K429F39-S425 WeakPolarHBondContact CE1-OG 3.42Å; P421-S425 WeakPolarHBondContact O-CB 3.47Å; P421-S425 PolarHBondContact O-N 2.79Å; P421-S425 PolarHBondContact O-OG 3.18Å; A422-S425 PolarHBondContact O-N 3.1Å; A423-S425 VanDerWaalsContact C-N 3.35Å; A423-S425 PolarHBondContact O-N 2.99Å; S425-M428 PolarHBondContact O-N 3.27Å; S425-K429 WeakPolarHBondContact O-CB 3.29Å; S425-K429 PolarHBondContact O-N 3.5Å
426E97.4Very high96.4Very high120 Ų12055.5 Ų55.556%0.56128%0.276SS*.Hα-helixtrans-66.4-38174.6-68.8-53.2141.800112.5A422 A423 F424 K429 L430A422-E426 PolarHBondContact O-N 3.3Å; A423-E426 PolarHBondContact O-N 3.34Å; F424-E426 VanDerWaalsContact C-N 3.34Å; F424-E426 PolarHBondContact O-N 3.4Å; E426-K429 PolarHBondContact O-N 3.18Å; E426-L430 WeakPolarHBondContact O-CB 3.31Å; E426-L430 PolarHBondContact O-N 2.83Å
427I97Very high96.1Very high27 Ų2759.2 Ų59.214%0.13830%0.296CS..Hα-helixtrans-66.8-40.9175.8-68.4168.4000111F58 M419 A423 F424 K429 L430 R431F58-I427 HydrophobicContact CD2-CG2 4.18Å; F58-I427 HydrophobicContact CE2-CB 4.29Å; F58-I427 HydrophobicContact CE2-CD1 3.7Å; F58-I427 HydrophobicContact CE2-CG2 4.06Å; F58-I427 HydrophobicContact CZ-CD1 4.3Å; M419-I427 HydrophobicContact CE-CD1 4.34Å; A423-I427 WeakPolarHBondContact O-CG1 3.5Å; A423-I427 PolarHBondContact O-N 3.41Å; F424-I427 PolarHBondContact O-N 3.11Å; I427-K429 VanDerWaalsContact C-N 3.33Å; I427-L430 PolarHBondContact O-N 2.96Å; I427-R431 PolarHBondContact O-N 2.75Å
428M96.8Very high95.9Very high14 Ų1454.4 Ų54.47%0.06929%0.285CS..Hα-helixtrans-64.1-39.4175-66.1-59.694.100111.9F58 V162 F424 S425 R431 E432F58-M428 HydrophobicContact CB-CE 4.13Å; F58-M428 HydrophobicContact CD2-CE 3.92Å; F58-M428 HydrophobicContact CG-CE 4.33Å; V162-M428 HydrophobicContact CG1-SD 3.89Å; F424-M428 HydrophobicContact CD2-CE 4.41Å; F424-M428 HydrophobicContact CD2-CG 3.94Å; F424-M428 HydrophobicContact CD2-SD 4.47Å; F424-M428 HydrophobicContact CE1-CG 4.19Å; F424-M428 HydrophobicContact CE2-CE 4.06Å; F424-M428 HydrophobicContact CE2-CG 3.42Å; F424-M428 VanDerWaalsContact CE2-CG 3.42Å; F424-M428 HydrophobicContact CE2-SD 3.67Å; F424-M428 HydrophobicContact CZ-CG 3.56Å; F424-M428 HydrophobicContact CZ-SD 4.08Å; F424-M428 WeakPolarHBondContact O-CG 3.29Å; F424-M428 PolarHBondContact O-N 2.91Å; S425-M428 PolarHBondContact O-N 3.27Å; M428-R431 WeakPolarHBondContact O-CB 3.38Å; M428-R431 PolarHBondContact O-N 3Å; M428-E432 PolarHBondContact O-N 3.18Å
429K96.1Very high95.8Very high103 Ų10353 Ų5345%0.44829%0.289SS..Hα-helixtrans-64.5-45174.5-176.1-179.2172.8-168.90111.9S425 E426 I427 R431 E432 E433S425-K429 WeakPolarHBondContact O-CB 3.29Å; S425-K429 PolarHBondContact O-N 3.5Å; E426-K429 PolarHBondContact O-N 3.18Å; I427-K429 VanDerWaalsContact C-N 3.33Å; K429-R431 VanDerWaalsContact C-N 3.26Å; K429-R431 PolarHBondContact O-N 3.13Å; K429-E432 WeakPolarHBondContact O-CB 3.45Å; K429-E432 PolarHBondContact O-N 3.43Å; K429-E433 WeakPolarHBondContact CE-OE1 3.48Å; K429-E433 WeakPolarHBondContact O-CG 3.43Å; K429-E433 PolarHBondContact O-N 2.81Å
430L96.3Very high95.7Very high34 Ų3452.7 Ų52.718%0.17829%0.287CS..Hα-helixtrans-58-41174.3177.964.7000111.3D61 E426 I427 E433 T434D61-L430 HydrophobicContact CB-CD2 4.2Å; E426-L430 WeakPolarHBondContact O-CB 3.31Å; E426-L430 PolarHBondContact O-N 2.83Å; I427-L430 PolarHBondContact O-N 2.96Å; L430-E433 PolarHBondContact O-N 3.42Å; L430-T434 HydrophobicContact CD1-CG2 3.72Å; L430-T434 HydrophobicContact CG-CG2 4.24Å; L430-T434 WeakPolarHBondContact O-CB 3.23Å; L430-T434 VanDerWaalsContact O-CG2 3.23Å; L430-T434 WeakPolarHBondContact O-CG2 3.4Å; L430-T434 PolarHBondContact O-N 3.34Å; L430-T434 PolarHBondContact O-OG1 2.8Å
431R95.7Very high95.7Very high26 Ų2653.7 Ų53.710%0.09829%0.29CS..Hα-helixtrans-60.3-46176.4-175177.3-175.8816.1111.7E212 I427 M428 K429 T434 H435E212-R431 IonicContact OE1-CZ 3.2Å; E212-R431 IonicContact OE1-NE 3.12Å; E212-R431 PolarHBondContact OE1-NE 2.64Å; E212-R431 IonicContact OE1-NH2 3.15Å; E212-R431 PolarHBondContact OE1-NH2 3.13Å; E212-R431 IonicContact OE2-CZ 3.56Å; E212-R431 IonicContact OE2-NE 2.65Å; E212-R431 PolarHBondContact OE2-NE 3.42Å; E212-R431 IonicContact OE2-NH2 2.67Å; E212-R431 PolarHBondContact OE2-NH2 3.22Å; I427-R431 PolarHBondContact O-N 2.75Å; M428-R431 WeakPolarHBondContact O-CB 3.38Å; M428-R431 PolarHBondContact O-N 3Å; K429-R431 VanDerWaalsContact C-N 3.26Å; K429-R431 PolarHBondContact O-N 3.13Å; R431-T434 PolarHBondContact O-N 2.96Å; R431-T434 PolarHBondContact O-OG1 3.02Å; R431-H435 WeakPolarHBondContact O-CB 3.24Å; R431-H435 PolarHBondContact O-N 2.55Å
432E93.7Very high95.6Very high113 Ų11353.2 Ų53.253%0.52829%0.287SS..Hα-helixtrans-60.5-45.9175.8-174.5172.5170.700111.8Y213 M428 K429 T434Y213-E432 HydrophobicContact CE2-CG 4.32Å; Y213-E432 WeakPolarHBondContact CE2-OE2 3.4Å; Y213-E432 PolarHBondContact OH-OE2 3.25Å; M428-E432 PolarHBondContact O-N 3.18Å; K429-E432 WeakPolarHBondContact O-CB 3.45Å; K429-E432 PolarHBondContact O-N 3.43Å; E432-T434 VanDerWaalsContact C-N 3.27Å; E432-T434 PolarHBondContact O-N 3.41Å
433E94.8Very high95.5Very high115 Ų11560.1 Ų60.154%0.53730%0.302SS..Hα-helixtrans-65.4-28.7178.7-70.8174.7177.900113.3K429 L430 L437K429-E433 WeakPolarHBondContact CE-OE1 3.48Å; K429-E433 WeakPolarHBondContact O-CG 3.43Å; K429-E433 PolarHBondContact O-N 2.81Å; L430-E433 PolarHBondContact O-N 3.42Å; E433-L437 WeakPolarHBondContact O-CD1 3.17Å
434T93.9Very high95.3Very high22 Ų2259.9 Ų59.914%0.13530%0.299CS..Hα-helixtrans-101.4-8.9-173.6570000114.2L430 R431 E432 H436 L437 Y440L430-T434 HydrophobicContact CD1-CG2 3.72Å; L430-T434 HydrophobicContact CG-CG2 4.24Å; L430-T434 WeakPolarHBondContact O-CB 3.23Å; L430-T434 VanDerWaalsContact O-CG2 3.23Å; L430-T434 WeakPolarHBondContact O-CG2 3.4Å; L430-T434 PolarHBondContact O-N 3.34Å; L430-T434 PolarHBondContact O-OG1 2.8Å; R431-T434 PolarHBondContact O-N 2.96Å; R431-T434 PolarHBondContact O-OG1 3.02Å; E432-T434 VanDerWaalsContact C-N 3.27Å; E432-T434 PolarHBondContact O-N 3.41Å; T434-H436 VanDerWaalsContact C-N 3.26Å; T434-H436 PolarHBondContact O-N 2.77Å; T434-H436 VanDerWaalsContact O-N 3.1Å; T434-L437 HydrophobicContact CG2-CD1 4.09Å; T434-L437 PolarHBondContact O-N 2.77Å; T434-Y440 HydrophobicContact CG2-CD2 4.33Å; T434-Y440 HydrophobicContact CG2-CE1 4Å; T434-Y440 HydrophobicContact CG2-CE2 3.76Å
435H91.1Very high95.2Very high41 Ų4162.2 Ų62.219%0.1932%0.315CS..THydrogen-bonded Turntrans-53-38.7-170.7-177.153.6000114.1R431R431-H435 WeakPolarHBondContact O-CB 3.24Å; R431-H435 PolarHBondContact O-N 2.55Å
436H89.7Confident95.2Very high91 Ų9162.5 Ų62.542%0.42132%0.316SS..THydrogen-bonded Turntrans-106.85179.8-62.8-63.1000114.8M209 V210 T434 A438M209-H436 PolarHBondContact O-CE1 3.07Å; V210-H436 VanDerWaalsContact CA-NE2 3.28Å; V210-H436 WeakPolarHBondContact CA-NE2 3.2Å; V210-H436 PolarHBondContact O-CD2 2.93Å; V210-H436 PolarHBondContact O-NE2 3.02Å; T434-H436 VanDerWaalsContact C-N 3.26Å; T434-H436 PolarHBondContact O-N 2.77Å; T434-H436 VanDerWaalsContact O-N 3.1Å; H436-A438 PolarHBondContact O-N 2.6Å
437L92.9Very high95Very high89 Ų8963 Ų6347%0.46632%0.319SS..  trans-74.6128.4-174.8-67.4-176.7000111.4E433 T434 Y440E433-L437 WeakPolarHBondContact O-CD1 3.17Å; T434-L437 HydrophobicContact CG2-CD1 4.09Å; T434-L437 PolarHBondContact O-N 2.77Å; L437-Y440 HydrophobicContact CD1-CD2 4.44Å
438A92.6Very high94.9Very high34 Ų3464.8 Ų64.828%0.28133%0.328SS..SBendtrans-89.9166.1160.300000110.3H436 Y440 D460H436-A438 PolarHBondContact O-N 2.6Å; A438-Y440 VanDerWaalsContact C-N 3.26Å; A438-Y440 PolarHBondContact O-N 2.55Å; A438-D460 WeakPolarHBondContact CB-O 3.3Å
439S96.3Very high94.9Very high79 Ų7964.4 Ų64.455%0.55233%0.327SS*.SBendtrans54.440.5-178.3-560000113.5V459 D460 D461S439-V459 CarbonylContact C-O 3.53Å; S439-V459 WeakPolarHBondContact CA-O 3.34Å; S439-V459 PolarHBondContact N-O 2.84Å; S439-V459 VanDerWaalsContact N-O 3.07Å; S439-D460 PolarHBondContact N-O 3.1Å; S439-D461 VanDerWaalsContact OG-CA 3.3Å; S439-D461 WeakPolarHBondContact OG-CA 3.42Å; S439-D461 WeakPolarHBondContact OG-CB 3.23Å; S439-D461 PolarHBondContact OG-N 2.92Å
440Y97.4Very high95Very high21 Ų2161.4 Ų61.48%0.08231%0.314CS..BIsolated β-bridgetrans-109.6139.1-177.6-176.8-109.7000111.4D61 T434 L437 A438 P442 V459D61-Y440 HydrophobicContact CB-CE1 4.38Å; D61-Y440 PolarHBondContact OD2-OH 3.12Å; T434-Y440 HydrophobicContact CG2-CD2 4.33Å; T434-Y440 HydrophobicContact CG2-CE1 4Å; T434-Y440 HydrophobicContact CG2-CE2 3.76Å; L437-Y440 HydrophobicContact CD1-CD2 4.44Å; A438-Y440 VanDerWaalsContact C-N 3.26Å; A438-Y440 PolarHBondContact O-N 2.55Å; Y440-P442 HydrophobicContact CD1-CG 4.31Å; Y440-P442 HydrophobicContact CE1-CB 4.3Å; Y440-P442 HydrophobicContact CE1-CG 4.11Å; Y440-V459 PolarHBondContact N-O 2.7Å; Y440-V459 PolarHBondContact O-N 3.42Å
441V97.8Very high95.1Very high80 Ų8061.9 Ų61.949%0.48532%0.318SS..  trans-114.5117.1169.7177.80000107.2R458V441-R458 HydrophobicContact CG2-CG 4.49Å
442P97.4Very high95.2Very high3 Ų360.8 Ų60.82%0.01932%0.316CS..  trans-53139.4175.7-30.838.8000113D61 R62 Y440 L456 T457D61-P442 HydrophobicContact CB-CB 4.46Å; D61-P442 VanDerWaalsContact O-CB 3.3Å; D61-P442 WeakPolarHBondContact O-CB 3.33Å; D61-P442 WeakPolarHBondContact O-CG 3.01Å; D61-P442 VanDerWaalsContact OD2-CA 3.31Å; D61-P442 WeakPolarHBondContact OD2-CA 3.31Å; R62-P442 HydrophobicContact CG-CB 4.37Å; R62-P442 PolarHBondContact NH2-O 2.93Å; Y440-P442 HydrophobicContact CD1-CG 4.31Å; Y440-P442 HydrophobicContact CE1-CB 4.3Å; Y440-P442 HydrophobicContact CE1-CG 4.11Å; P442-L456 HydrophobicContact CG-CB 4.15Å; P442-L456 HydrophobicContact CG-CD2 3.85Å; P442-L456 HydrophobicContact CG-CG 3.85Å; P442-T457 WeakPolarHBondContact CD-O 3.43Å
443R95.2Very high95.4Very high195 Ų19555.5 Ų55.574%0.73629%0.291SS*.  trans-104.1-22.5-169-61.8177.1-175.8176.13.6112.9D61D61-R443 PolarHBondContact OD2-N 3.01Å
444S94.9Very high95.6Very high26 Ų2651.9 Ų51.918%0.18227%0.272CS..SBendtrans-65.6154.8179.4-560000111.4S60 D61 R62S60-S444 WeakPolarHBondContact CB-OG 3.46Å; D61-S444 WeakPolarHBondContact OD1-CB 3.48Å; D61-S444 PolarHBondContact OD1-N 2.81Å; D61-S444 PolarHBondContact OD1-OG 3.01Å; R62-S444 PolarHBondContact NE-O 2.95Å; R62-S444 PolarHBondContact NH2-O 3.36Å
445S94.9Very high95.8Very high53 Ų5352.7 Ų52.737%0.37127%0.273SS..  trans-68.2139.7-177.5-171.40000111.4E447 D448S445-E447 VanDerWaalsContact C-N 3.33Å; S445-E447 PolarHBondContact OG-N 3.41Å; S445-D448 WeakPolarHBondContact CB-OD2 3.4Å
446V96.5Very high96.2Very high27 Ų2751.1 Ų51.116%0.16427%0.266CS..SBendtrans-75.1-28.9169.9177.60000110.6D448 L449 Y455 R470V446-D448 PolarHBondContact O-N 3.18Å; V446-L449 HydrophobicContact CG1-CD1 4.37Å; V446-L449 WeakPolarHBondContact O-CB 3.21Å; V446-L449 PolarHBondContact O-N 2.93Å; V446-L449 VanDerWaalsContact O-N 3.13Å; V446-Y455 HydrophobicContact CG1-CD1 4Å; V446-Y455 HydrophobicContact CG1-CE1 3.57Å; V446-Y455 HydrophobicContact CG1-CE2 4.21Å; V446-Y455 HydrophobicContact CG1-CG 4.5Å; V446-Y455 HydrophobicContact CG2-CD2 3.9Å; V446-Y455 HydrophobicContact CG2-CE1 4.4Å; V446-Y455 HydrophobicContact CG2-CE2 3.5Å; V446-Y455 HydrophobicContact CG2-CG 4.49Å; V446-R470 HydrophobicContact CG1-CB 4.38Å; V446-R470 HydrophobicContact CG1-CG 4.29Å; V446-R470 WeakPolarHBondContact O-CD 3.43Å; V446-R470 PolarHBondContact O-NE 3.49Å
447E94.4Very high96.6Very high131 Ų13148.4 Ų48.461%0.61226%0.256SS*.THydrogen-bonded Turntrans-68.2-16.8-179.9-60-51.714900113.8S445 L449 R470S445-E447 VanDerWaalsContact C-N 3.33Å; S445-E447 PolarHBondContact OG-N 3.41Å; E447-L449 VanDerWaalsContact C-N 3.29Å; E447-R470 IonicContact OE2-CZ 3.62Å; E447-R470 IonicContact OE2-NE 2.81Å; E447-R470 IonicContact OE2-NH2 2.81Å; E447-R470 PolarHBondContact OE2-NH2 3.03Å
448D93.6Very high96.9Very high64 Ų6449.4 Ų49.434%0.34225%0.254SS..THydrogen-bonded Turntrans-76.5-18175.7-71.7-36.5000112.3S28 R417 S445 V446S28-D448 VanDerWaalsContact CB-O 3.24Å; S28-D448 WeakPolarHBondContact CB-O 3.27Å; S28-D448 PolarHBondContact OG-O 2.94Å; R417-D448 IonicContact NH1-OD1 2.68Å; R417-D448 PolarHBondContact NH1-OD1 2.93Å; R417-D448 IonicContact NH1-OD2 2.76Å; S445-D448 WeakPolarHBondContact CB-OD2 3.4Å; V446-D448 PolarHBondContact O-N 3.18Å
449L97.8Very high97.2Very high6 Ų648.1 Ų48.13%0.03124%0.243CC..SBendtrans-77.2160.3-177.3-57.5173.5000111.4R62 E63 V446 E447 T453 Y455 R470R62-L449 HydrophobicContact CB-CD1 4.41Å; R62-L449 HydrophobicContact CB-CD2 4.47Å; E63-L449 HydrophobicContact CG-CD2 3.86Å; V446-L449 HydrophobicContact CG1-CD1 4.37Å; V446-L449 WeakPolarHBondContact O-CB 3.21Å; V446-L449 PolarHBondContact O-N 2.93Å; V446-L449 VanDerWaalsContact O-N 3.13Å; E447-L449 VanDerWaalsContact C-N 3.29Å; L449-T453 HydrophobicContact CB-CG2 4.1Å; L449-T453 HydrophobicContact CD1-CG2 4.06Å; L449-T453 HydrophobicContact CD2-CG2 4.32Å; L449-T453 HydrophobicContact CG-CG2 4.41Å; L449-Y455 VanDerWaalsContact CD1-CB 3.5Å; L449-Y455 HydrophobicContact CD1-CD1 4.02Å; L449-Y455 HydrophobicContact CD1-CG 3.9Å; L449-R470 VanDerWaalsContact O-CZ 3.28Å; L449-R470 PolarHBondContact O-NH1 2.96Å
450F98.3Very high97.2Very high40 Ų4044.7 Ų44.718%0.17522%0.218CC..PPolyproline II helixtrans-66.6150.8169.4-70.9-57.2000111.8Y25 F26 S28 S415 R416 G452 T453 R470Y25-F450 HydrophobicContact CE2-CD2 4.28Å; F26-F450 HydrophobicContact CD2-CE2 4.16Å; F26-F450 HydrophobicContact CE2-CE2 4.11Å; F26-F450 HydrophobicContact CE2-CZ 4.37Å; F26-F450 WeakPolarHBondContact O-CE2 3.45Å; S28-F450 VanDerWaalsContact CA-CE2 3.43Å; S415-F450 WeakPolarHBondContact OG-CE1 3.33Å; R416-F450 HydrophobicContact CG-CE2 4.27Å; R416-F450 HydrophobicContact CG-CZ 3.7Å; F450-G452 PolarHBondContact O-N 3.34Å; F450-T453 WeakPolarHBondContact O-CB 3.39Å; F450-T453 PolarHBondContact O-N 2.94Å; F450-T453 PolarHBondContact O-OG1 3.35Å; F450-T453 VanDerWaalsContact O-OG1 3.05Å; F450-R470 WeakPolarHBondContact O-CD 3.23Å
451P97.8Very high97.3Very high43 Ų4348.3 Ų48.328%0.27924%0.239SC..THydrogen-bonded Turntrans-56.5139.7172.5-23.533.7000111.4T453 R470 A471 D473P451-T453 VanDerWaalsContact C-N 3.25Å; P451-T453 PolarHBondContact O-N 2.95Å; P451-R470 VanDerWaalsContact CD-NH1 3.35Å; P451-A471 WeakPolarHBondContact CA-O 3.13Å; P451-D473 WeakPolarHBondContact CG-OD2 3.38Å
452G97.8Very high97.3Very high4 Ų451.1 Ų51.14%0.04124%0.244CC..THydrogen-bonded Turntrans76.90.9-177.100000115.6F450 R469 R470 A471F450-G452 PolarHBondContact O-N 3.34Å; G452-R469 WeakPolarHBondContact O-CG 3.38Å; G452-R469 PolarHBondContact O-NE 3.08Å; G452-R470 VanDerWaalsContact CA-O 3.22Å; G452-R470 WeakPolarHBondContact CA-O 3.47Å; G452-R470 PolarHBondContact N-O 3.42Å; G452-R470 VanDerWaalsContact N-O 3.1Å; G452-A471 PolarHBondContact N-O 2.84Å
453T98.8Very high97.3Very high1 Ų156.5 Ų56.51%0.00627%0.269CS..  trans-68.4130.9174.3-700000111.4Y25 L449 F450 P451 R470Y25-T453 HydrophobicContact CE2-CG2 4.32Å; Y25-T453 VanDerWaalsContact CE2-OG1 3.28Å; Y25-T453 WeakPolarHBondContact CE2-OG1 3.49Å; Y25-T453 WeakPolarHBondContact OH-CG2 3.29Å; Y25-T453 PolarHBondContact OH-OG1 3.19Å; L449-T453 HydrophobicContact CB-CG2 4.1Å; L449-T453 HydrophobicContact CD1-CG2 4.06Å; L449-T453 HydrophobicContact CD2-CG2 4.32Å; L449-T453 HydrophobicContact CG-CG2 4.41Å; F450-T453 WeakPolarHBondContact O-CB 3.39Å; F450-T453 PolarHBondContact O-N 2.94Å; F450-T453 PolarHBondContact O-OG1 3.35Å; F450-T453 VanDerWaalsContact O-OG1 3.05Å; P451-T453 VanDerWaalsContact C-N 3.25Å; P451-T453 PolarHBondContact O-N 2.95Å; T453-R470 PolarHBondContact O-N 2.94Å
454W98.9Very high97.4Very high39 Ų3954.2 Ų54.215%0.14826%0.26CS..EExtended strand (participates in β ladder)trans-76.2140.4164.6-74.782.1000111S67 L70 T71 Q74 L111 A468 R469S67-W454 VanDerWaalsContact CB-O 3.25Å; S67-W454 WeakPolarHBondContact CB-O 3.46Å; S67-W454 PolarHBondContact OG-O 3.31Å; L70-W454 HydrophobicContact CB-CB 3.87Å; L70-W454 HydrophobicContact CB-CD2 3.99Å; L70-W454 HydrophobicContact CB-CG 3.59Å; L70-W454 HydrophobicContact CD1-CB 4.45Å; L70-W454 HydrophobicContact CD1-CD2 4.14Å; L70-W454 HydrophobicContact CD1-CE3 4.06Å; L70-W454 HydrophobicContact CD1-CG 4.35Å; T71-W454 WeakPolarHBondContact OG1-CB 3.38Å; T71-W454 PolarHBondContact OG1-N 3.06Å; Q74-W454 VanDerWaalsContact OE1-CE2 3.29Å; L111-W454 HydrophobicContact CD2-CH2 4.47Å; L111-W454 HydrophobicContact CD2-CZ2 3.64Å; W454-A468 CarbonylContact C-O 3.48Å; W454-A468 VanDerWaalsContact CA-O 3.31Å; W454-A468 WeakPolarHBondContact CA-O 3.43Å; W454-R469 HydrophobicContact CD2-CB 4.03Å; W454-R469 HydrophobicContact CD2-CG 4.35Å; W454-R469 HydrophobicContact CE3-CB 4.36Å; W454-R469 HydrophobicContact CG-CB 4.39Å; W454-R469 HydrophobicContact CG-CG 4.29Å; W454-R469 HydrophobicContact CZ2-CB 4.34Å
455Y98.8Very high97.6Very high39 Ų3956.5 Ų56.515%0.15327%0.265CS..EExtended strand (participates in β ladder)trans-141.6153.4-178.165.8-87.8000112.2R62 V446 L449 T457 Y467 A468 R470R62-Y455 CarbonylContact O-C 3.26Å; R62-Y455 VanDerWaalsContact O-CA 3.29Å; R62-Y455 WeakPolarHBondContact O-CA 3.46Å; R62-Y455 WeakPolarHBondContact O-CB 3.36Å; V446-Y455 HydrophobicContact CG1-CD1 4Å; V446-Y455 HydrophobicContact CG1-CE1 3.57Å; V446-Y455 HydrophobicContact CG1-CE2 4.21Å; V446-Y455 HydrophobicContact CG1-CG 4.5Å; V446-Y455 HydrophobicContact CG2-CD2 3.9Å; V446-Y455 HydrophobicContact CG2-CE1 4.4Å; V446-Y455 HydrophobicContact CG2-CE2 3.5Å; V446-Y455 HydrophobicContact CG2-CG 4.49Å; L449-Y455 VanDerWaalsContact CD1-CB 3.5Å; L449-Y455 HydrophobicContact CD1-CD1 4.02Å; L449-Y455 HydrophobicContact CD1-CG 3.9Å; Y455-T457 HydrophobicContact CD2-CG2 4.1Å; Y455-T457 HydrophobicContact CE2-CG2 3.63Å; Y455-T457 PolarHBondContact O-N 2.87Å; Y455-Y467 WeakPolarHBondContact O-CA 3.37Å; Y455-A468 VanDerWaalsContact CD1-O 3.24Å; Y455-A468 WeakPolarHBondContact CD1-O 3.32Å; Y455-A468 HydrophobicContact CE1-CB 3.99Å; Y455-A468 HydrophobicContact CE2-CB 4.27Å; Y455-A468 PolarHBondContact N-O 3.5Å; Y455-A468 PolarHBondContact O-N 3.38Å; Y455-R470 HydrophobicContact CE1-CB 4.43Å
456L98.7Very high97.8Very high9 Ų958.6 Ų58.65%0.04727%0.269CS..EExtended strand (participates in β ladder)trans-71.1123.7174.6-175.165.9000109.8R62 P442 V459 R465 Y467R62-L456 PolarHBondContact NH1-O 2.96Å; R62-L456 VanDerWaalsContact NH1-O 3.11Å; R62-L456 PolarHBondContact O-N 3.35Å; P442-L456 HydrophobicContact CG-CB 4.15Å; P442-L456 HydrophobicContact CG-CD2 3.85Å; P442-L456 HydrophobicContact CG-CG 3.85Å; L456-V459 HydrophobicContact CD1-CG2 4.2Å; L456-V459 HydrophobicContact CD2-CG2 3.88Å; L456-V459 HydrophobicContact CG-CG2 4.43Å; L456-R465 HydrophobicContact CD1-CB 3.81Å; L456-R465 HydrophobicContact CD1-CG 4.23Å; L456-Y467 HydrophobicContact CB-CD1 4.49Å; L456-Y467 HydrophobicContact CB-CE1 4.27Å; L456-Y467 HydrophobicContact CD1-CD1 4.35Å; L456-Y467 HydrophobicContact CD1-CE1 3.83Å
457T98.4Very high97.9Very high34 Ų3458.7 Ų58.721%0.20927%0.266CS..EExtended strand (participates in β ladder)trans-96.5-37.4178.459.50000111.6P442 Y455 E466 A468P442-T457 WeakPolarHBondContact CD-O 3.43Å; Y455-T457 HydrophobicContact CD2-CG2 4.1Å; Y455-T457 HydrophobicContact CE2-CG2 3.63Å; Y455-T457 PolarHBondContact O-N 2.87Å; T457-E466 PolarHBondContact N-O 2.76Å; T457-E466 VanDerWaalsContact OG1-C 3.22Å; T457-E466 VanDerWaalsContact OG1-CB 3.28Å; T457-E466 WeakPolarHBondContact OG1-CB 3.41Å; T457-E466 PolarHBondContact OG1-O 3.06Å; T457-A468 HydrophobicContact CG2-CB 3.45Å; T457-A468 VanDerWaalsContact CG2-CB 3.45Å
458R98.2Very high98.1Very high110 Ų11053.8 Ų53.842%0.41525%0.249SC..EExtended strand (participates in β ladder)trans-162.4146.7-174.1-178.9179.1173.3116.61.9111.2V441 R465 E466V441-R458 HydrophobicContact CG2-CG 4.49Å; R458-R465 WeakPolarHBondContact O-CA 3.48Å; R458-E466 HydrophobicContact CB-CB 4.43Å; R458-E466 PolarHBondContact O-N 3.07Å
459V98.5Very high98.3Very high7 Ų753.9 Ų53.94%0.04224%0.244CC..EExtended strand (participates in β ladder)trans-115.1120.5159.1-173.20000107.3S439 Y440 L456 R464 R465S439-V459 CarbonylContact C-O 3.53Å; S439-V459 WeakPolarHBondContact CA-O 3.34Å; S439-V459 PolarHBondContact N-O 2.84Å; S439-V459 VanDerWaalsContact N-O 3.07Å; Y440-V459 PolarHBondContact N-O 2.7Å; Y440-V459 PolarHBondContact O-N 3.42Å; L456-V459 HydrophobicContact CD1-CG2 4.2Å; L456-V459 HydrophobicContact CD2-CG2 3.88Å; L456-V459 HydrophobicContact CG-CG2 4.43Å; V459-R464 WeakPolarHBondContact CA-O 3.36Å; V459-R465 HydrophobicContact CG2-CG 4.25Å
460D98.3Very high98.3Very high6 Ų655.3 Ų55.33%0.03225%0.249CC..  trans-83.6-175.1-178.877.72.6000113.7A438 S439 K462 H463 R464A438-D460 WeakPolarHBondContact CB-O 3.3Å; S439-D460 PolarHBondContact N-O 3.1Å; D460-K462 PolarHBondContact O-N 3.39Å; D460-K462 VanDerWaalsContact OD1-C 3.27Å; D460-K462 WeakPolarHBondContact OD1-CA 3.34Å; D460-K462 PolarHBondContact OD1-N 3.15Å; D460-H463 PolarHBondContact O-N 2.93Å; D460-H463 PolarHBondContact OD1-N 3.26Å; D460-H463 VanDerWaalsContact OD1-N 3.14Å; D460-R464 PolarHBondContact N-O 2.95Å; D460-R464 WeakPolarHBondContact OD1-CB 3.32Å; D460-R464 PolarHBondContact OD1-N 3.41Å; D460-R464 IonicContact OD1-NE 3.3Å; D460-R464 IonicContact OD2-CZ 2.58Å; D460-R464 IonicContact OD2-NE 3.57Å; D460-R464 PolarHBondContact OD2-NE 3.4Å; D460-R464 IonicContact OD2-NH2 3.82Å; D460-R464 PolarHBondContact OD2-NH2 2.65Å
461D97.8Very high98.1Very high98 Ų9857 Ų5752%0.52427%0.271SS..THydrogen-bonded Turntrans-63.8-16.4179.963.2-55.9000113.7S439S439-D461 VanDerWaalsContact OG-CA 3.3Å; S439-D461 WeakPolarHBondContact OG-CA 3.42Å; S439-D461 WeakPolarHBondContact OG-CB 3.23Å; S439-D461 PolarHBondContact OG-N 2.92Å
462K97.8Very high97.7Very high138 Ų13859.7 Ų59.760%0.628%0.282SS*.THydrogen-bonded Turntrans-108.917.9179.4-60.5-175.6-177.8179.20112.4D460 R464D460-K462 PolarHBondContact O-N 3.39Å; D460-K462 VanDerWaalsContact OD1-C 3.27Å; D460-K462 WeakPolarHBondContact OD1-CA 3.34Å; D460-K462 PolarHBondContact OD1-N 3.15Å; K462-R464 HydrophobicContact CB-CG 4.36Å; K462-R464 PolarHBondContact O-N 2.82Å; K462-R464 VanDerWaalsContact O-N 3.16Å
463H97.8Very high96.7Very high117 Ų11764.2 Ų64.254%0.54231%0.305SS..  trans61.216.5-179.1-55.873.5000114.2D460 R465D460-H463 PolarHBondContact O-N 2.93Å; D460-H463 PolarHBondContact OD1-N 3.26Å; D460-H463 VanDerWaalsContact OD1-N 3.14Å; H463-R465 PolarHBondContact O-N 3.36Å
464R98.6Very high94.4Very high147 Ų14772.2 Ų72.256%0.55535%0.348SS*.  trans-73.8129.9173.4-60.5175.8-69.5176.33.8107.8V459 D460 K462V459-R464 WeakPolarHBondContact CA-O 3.36Å; D460-R464 PolarHBondContact N-O 2.95Å; D460-R464 WeakPolarHBondContact OD1-CB 3.32Å; D460-R464 PolarHBondContact OD1-N 3.41Å; D460-R464 IonicContact OD1-NE 3.3Å; D460-R464 IonicContact OD2-CZ 2.58Å; D460-R464 IonicContact OD2-NE 3.57Å; D460-R464 PolarHBondContact OD2-NE 3.4Å; D460-R464 IonicContact OD2-NH2 3.82Å; D460-R464 PolarHBondContact OD2-NH2 2.65Å; K462-R464 HydrophobicContact CB-CG 4.36Å; K462-R464 PolarHBondContact O-N 2.82Å; K462-R464 VanDerWaalsContact O-N 3.16Å
465R98.6Very high91.8Very high74 Ų7478.8 Ų78.828%0.27938%0.38SS..EExtended strand (participates in β ladder)trans-101.8130.2-177.3-59.2-171.1178-130.8-4.9109.7D64 L456 R458 V459 H463 Y467D64-R465 WeakPolarHBondContact OD2-CD 3.4Å; D64-R465 IonicContact OD2-CZ 2.96Å; D64-R465 IonicContact OD2-NE 3.65Å; D64-R465 IonicContact OD2-NH1 3.74Å; D64-R465 PolarHBondContact OD2-NH1 3.34Å; L456-R465 HydrophobicContact CD1-CB 3.81Å; L456-R465 HydrophobicContact CD1-CG 4.23Å; R458-R465 WeakPolarHBondContact O-CA 3.48Å; V459-R465 HydrophobicContact CG2-CG 4.25Å; H463-R465 PolarHBondContact O-N 3.36Å; R465-Y467 HydrophobicContact CB-CE2 3.72Å; R465-Y467 WeakPolarHBondContact CB-OH 3.41Å; R465-Y467 WeakPolarHBondContact CD-OH 3.42Å
466E98.6Very high88.9Confident96 Ų9684.3 Ų84.345%0.44941%0.412SS..EExtended strand (participates in β ladder)trans-110136.9177.5-68.5171.8-157.700109.6T457 R458T457-E466 PolarHBondContact N-O 2.76Å; T457-E466 VanDerWaalsContact OG1-C 3.22Å; T457-E466 VanDerWaalsContact OG1-CB 3.28Å; T457-E466 WeakPolarHBondContact OG1-CB 3.41Å; T457-E466 PolarHBondContact OG1-O 3.06Å; R458-E466 HydrophobicContact CB-CB 4.43Å; R458-E466 PolarHBondContact O-N 3.07Å
467Y98.8Very high85.8Confident29 Ų2989.7 Ų89.711%0.11445%0.447CS..EExtended strand (participates in β ladder)trans-122.5149.1-176.4-58.2-83.2000111D64 N66 L70 V107 Y455 L456 R465D64-Y467 WeakPolarHBondContact OD1-CE1 3.43Å; D64-Y467 PolarHBondContact OD1-OH 3.49Å; D64-Y467 PolarHBondContact OD2-OH 2.93Å; N66-Y467 HydrophobicContact CB-CE1 4.06Å; N66-Y467 HydrophobicContact CB-CE2 4.1Å; N66-Y467 WeakPolarHBondContact CB-OH 3.33Å; N66-Y467 PolarHBondContact ND2-OH 2.94Å; L70-Y467 HydrophobicContact CD1-CD1 4.45Å; L70-Y467 HydrophobicContact CD1-CD2 4.22Å; L70-Y467 HydrophobicContact CD1-CG 4.03Å; V107-Y467 HydrophobicContact CG1-CD2 4.48Å; V107-Y467 HydrophobicContact CG1-CE2 4.07Å; Y455-Y467 WeakPolarHBondContact O-CA 3.37Å; L456-Y467 HydrophobicContact CB-CD1 4.49Å; L456-Y467 HydrophobicContact CB-CE1 4.27Å; L456-Y467 HydrophobicContact CD1-CD1 4.35Å; L456-Y467 HydrophobicContact CD1-CE1 3.83Å; R465-Y467 HydrophobicContact CB-CE2 3.72Å; R465-Y467 WeakPolarHBondContact CB-OH 3.41Å; R465-Y467 WeakPolarHBondContact CD-OH 3.42Å
468A98.6Very high82.7Confident29 Ų2992.6 Ų92.624%0.2448%0.475CS..EExtended strand (participates in β ladder)trans-134.2165.1168.400000109.3W454 Y455 T457W454-A468 CarbonylContact C-O 3.48Å; W454-A468 VanDerWaalsContact CA-O 3.31Å; W454-A468 WeakPolarHBondContact CA-O 3.43Å; Y455-A468 VanDerWaalsContact CD1-O 3.24Å; Y455-A468 WeakPolarHBondContact CD1-O 3.32Å; Y455-A468 HydrophobicContact CE1-CB 3.99Å; Y455-A468 HydrophobicContact CE2-CB 4.27Å; Y455-A468 PolarHBondContact N-O 3.5Å; Y455-A468 PolarHBondContact O-N 3.38Å; T457-A468 HydrophobicContact CG2-CB 3.45Å; T457-A468 VanDerWaalsContact CG2-CB 3.45Å
469R98.3Very high79.9Confident65 Ų6595.7 Ų95.725%0.24549%0.494CS..EExtended strand (participates in β ladder)trans-109.8129.3178.8-163.9-177.1-177.1-157.63.8109.8Q74 E78 G452 W454 A471Q74-R469 VanDerWaalsContact CD-CZ 3.44Å; Q74-R469 VanDerWaalsContact CD-NH1 3.32Å; E78-R469 IonicContact OE1-CZ 2.97Å; E78-R469 IonicContact OE1-NH1 3.79Å; E78-R469 PolarHBondContact OE1-NH1 2.57Å; E78-R469 IonicContact OE1-NH2 2.66Å; E78-R469 PolarHBondContact OE1-NH2 3.23Å; E78-R469 IonicContact OE2-CZ 3.93Å; E78-R469 IonicContact OE2-NH1 3.42Å; E78-R469 IonicContact OE2-NH2 3.48Å; E78-R469 PolarHBondContact OE2-NH2 2.58Å; G452-R469 WeakPolarHBondContact O-CG 3.38Å; G452-R469 PolarHBondContact O-NE 3.08Å; W454-R469 HydrophobicContact CD2-CB 4.03Å; W454-R469 HydrophobicContact CD2-CG 4.35Å; W454-R469 HydrophobicContact CE3-CB 4.36Å; W454-R469 HydrophobicContact CG-CB 4.39Å; W454-R469 HydrophobicContact CG-CG 4.29Å; W454-R469 HydrophobicContact CZ2-CB 4.34Å; R469-A471 PolarHBondContact O-N 3.18Å
470R97.4Very high76.8Confident36 Ų36100.9 Ų100.914%0.13653%0.528CS..PPolyproline II helixtrans-61.1135.9170.5-174175.5-173.1-117.8-11.3108.1V446 E447 L449 F450 P451 G452 T453 Y455V446-R470 HydrophobicContact CG1-CB 4.38Å; V446-R470 HydrophobicContact CG1-CG 4.29Å; V446-R470 WeakPolarHBondContact O-CD 3.43Å; V446-R470 PolarHBondContact O-NE 3.49Å; E447-R470 IonicContact OE2-CZ 3.62Å; E447-R470 IonicContact OE2-NE 2.81Å; E447-R470 IonicContact OE2-NH2 2.81Å; E447-R470 PolarHBondContact OE2-NH2 3.03Å; L449-R470 VanDerWaalsContact O-CZ 3.28Å; L449-R470 PolarHBondContact O-NH1 2.96Å; F450-R470 WeakPolarHBondContact O-CD 3.23Å; P451-R470 VanDerWaalsContact CD-NH1 3.35Å; G452-R470 VanDerWaalsContact CA-O 3.22Å; G452-R470 WeakPolarHBondContact CA-O 3.47Å; G452-R470 PolarHBondContact N-O 3.42Å; G452-R470 VanDerWaalsContact N-O 3.1Å; T453-R470 PolarHBondContact O-N 2.94Å; Y455-R470 HydrophobicContact CE1-CB 4.43Å
471A92.9Very high73.7Confident76 Ų76109.5 Ų109.563%0.62857%0.568SS**PPolyproline II helixtrans-54.8151.9176.900000111P451 G452 R469P451-A471 WeakPolarHBondContact CA-O 3.13Å; G452-A471 PolarHBondContact N-O 2.84Å; R469-A471 PolarHBondContact O-N 3.18Å
472L89.9Confident70.6Confident99 Ų99112.9 Ų112.952%0.51859%0.585SS.*PPolyproline II helixtrans-73.2140.9163.3-62.1173.6000107.1D474L472-D474 PolarHBondContact O-N 3.21Å
473D78Confident67.4Low99 Ų99112.1 Ų112.153%0.52959%0.592SS.*PPolyproline II helixtrans-67.6122.8171.8-65.6-29.5000107.5P451 E475P451-D473 WeakPolarHBondContact CG-OD2 3.38Å; D473-E475 PolarHBondContact O-N 2.92Å
474D49.4Very low64.2Low169 Ų169118 Ų11890%0.90461%0.609SS**SBendtrans-68.25.8-178.4-84.3-32.6000113.9L472L472-D474 PolarHBondContact O-N 3.21Å
475E44.2Very low60.8Low177 Ų177117 Ų11783%0.82762%0.62SS**  trans-140.288.2-177.8-68.3-168.416800113.1D473D473-E475 PolarHBondContact O-N 2.92Å
476L38.1Very low57.7Low156 Ų156118.5 Ų118.582%0.81765%0.648SS**SBendtrans-122.1138.9143.7-78.7167.5000107.4A478L476-A478 PolarHBondContact O-N 3.24Å
477P32.9Very low54.4Low121 Ų121119 Ų11979%0.78666%0.662SS**  trans-59133.1-177.3-15.727.5000109.5E479P477-E479 PolarHBondContact O-N 3.4Å
478A34.5Very low51.6Low96 Ų96122.9 Ų122.979%0.79370%0.7SS**  trans-46.2127.7171.200000109.9L476L476-A478 PolarHBondContact O-N 3.24Å
479E38.9Very low48.4Very low175 Ų175127.1 Ų127.182%0.81873%0.727SS**  trans-44138164.5-73.8-106.5156.800109.3P477 E481P477-E479 PolarHBondContact O-N 3.4Å; E479-E481 PolarHBondContact O-N 2.91Å; E479-E481 VanDerWaalsContact O-N 3.13Å
480P33.3Very low45.2Very low115 Ų115133 Ų13375%0.74776%0.758SS**  trans-58.1123.4-17622.6-30.7000109.9L482P480-L482 PolarHBondContact O-N 3.42Å
481E33.4Very low42Very low188 Ų188140 Ų14088%0.87979%0.791SS**  trans-49.3104.8177.3-77.1-174.4135.300110.7E479 V483E479-E481 PolarHBondContact O-N 2.91Å; E479-E481 VanDerWaalsContact O-N 3.13Å; E481-V483 PolarHBondContact O-N 3Å; E481-V483 VanDerWaalsContact O-N 3.12Å
482L33.3Very low39.1Very low168 Ų168143.8 Ų143.888%0.8880%0.8SS**  trans-66.8109.1159.2-92.6156.6000107.4P480 R484P480-L482 PolarHBondContact O-N 3.42Å; L482-R484 PolarHBondContact O-N 3.43Å; L482-R484 VanDerWaalsContact O-N 3.1Å
483V30.1Very low36.4Very low123 Ų123144.4 Ų144.475%0.74581%0.81SS**  trans-27.1109173.2178.50000111.7E481 T485E481-V483 PolarHBondContact O-N 3Å; E481-V483 VanDerWaalsContact O-N 3.12Å; V483-T485 HydrophobicContact CG1-CG2 4.47Å; V483-T485 PolarHBondContact O-N 3.24Å
484R30Very low34.1Very low241 Ų241144.7 Ų144.791%0.90982%0.819SS**  trans-65.796.6168.9-73.3-179173.1178.2-1109.3L482 A486L482-R484 PolarHBondContact O-N 3.43Å; L482-R484 VanDerWaalsContact O-N 3.1Å; R484-A486 PolarHBondContact O-N 3.37Å
485T28.6Very low33.4Very low126 Ų126142.8 Ų142.877%0.77382%0.816SS**  trans-83.410415641.30000108.2V483 S487V483-T485 HydrophobicContact CG1-CG2 4.47Å; V483-T485 PolarHBondContact O-N 3.24Å; T485-S487 PolarHBondContact O-N 3.19Å; T485-S487 VanDerWaalsContact O-N 3.13Å
486A32.5Very low32.8Very low105 Ų105140.7 Ų140.787%0.86882%0.815SS**  trans-62.7111.4169.500000109.3R484R484-A486 PolarHBondContact O-N 3.37Å
487S29.9Very low32.6Very low107 Ų107142.7 Ų142.775%0.74882%0.818SS**  trans-132.9114.5150.868.90000107.7T485 S489T485-S487 PolarHBondContact O-N 3.19Å; T485-S487 VanDerWaalsContact O-N 3.13Å; S487-S489 PolarHBondContact O-N 3.23Å
488A40.1Very low32.5Very low109 Ų109146.7 Ų146.790%0.90182%0.822SS**  trans-58.8124.3172.700000108.4
489S30.6Very low32.5Very low118 Ų118150.4 Ų150.483%0.82583%0.825SS**  trans-111.8134.9165.157.40000108.9S487S487-S489 PolarHBondContact O-N 3.23Å
490E31.8Very low32.2Very low188 Ų188147.8 Ų147.888%0.87982%0.824SS**  trans-71.7145.9-162.1-65.7170.6134.200112.7I492E490-I492 PolarHBondContact O-N 3.5Å
491H29.2Very low32.3Very low183 Ų183154.1 Ų154.185%0.84783%0.833SS**  trans-65.4118.4174.3-149.417000109.6P493H491-P493 VanDerWaalsContact O-CD 3.29Å; H491-P493 WeakPolarHBondContact O-CD 3.31Å
492I32.8Very low32.3Very low156 Ų156153.9 Ų153.980%0.883%0.834SS**  trans-78.1113.5168.4-58.9174.6000107.4E490E490-I492 PolarHBondContact O-N 3.5Å
493P32.8Very low32.5Very low113 Ų113151.8 Ų151.873%0.73483%0.831SS**PPolyproline II helixtrans-81.6137.4178.35.511.7000110.7H491H491-P493 VanDerWaalsContact O-CD 3.29Å; H491-P493 WeakPolarHBondContact O-CD 3.31Å
494S30.7Very low32.6Very low104 Ų104152.6 Ų152.673%0.72784%0.836SS**PPolyproline II helixtrans-63.8152.2169.2-72.60000112V496S494-V496 PolarHBondContact O-N 3.03Å
495P34.4Very low32.8Very low130 Ų130146.1 Ų146.184%0.84483%0.834SS**PPolyproline II helixtrans-74.1117-176.1-6.122.2000111.3K497P495-K497 PolarHBondContact O-N 3.46Å
496V31.6Very low33.1Very low133 Ų133146.9 Ų146.981%0.80684%0.838SS**PPolyproline II helixtrans-68.9117.4171.8177.90000109.8S494 K498S494-V496 PolarHBondContact O-N 3.03Å; V496-K498 PolarHBondContact O-N 2.68Å
497K33.3Very low33.3Very low198 Ų198146.7 Ų146.786%0.86184%0.836SS**  trans-64.1114.7165.5-83.9178.9177173.10109.4P495 M499P495-K497 PolarHBondContact O-N 3.46Å; K497-M499 PolarHBondContact O-N 3.3Å
498K31.6Very low33.5Very low204 Ų204144.5 Ų144.589%0.88783%0.831SS**  trans-67.4114.2168.3-79.3-179.9176.4175.60109.8V496V496-K498 PolarHBondContact O-N 2.68Å
499M33.2Very low33.5Very low174 Ų174145.8 Ų145.886%0.85783%0.83SS**PPolyproline II helixtrans-73.9139.5161.4-76.9179.268.700110K497K497-M499 PolarHBondContact O-N 3.3Å
500P33.6Very low33.8Very low121 Ų121147 Ų14779%0.78683%0.832SS**PPolyproline II helixtrans-76.8135.6172.416.9-8.4000111.3
501R33.9Very low34Very low248 Ų248142.6 Ų142.694%0.93683%0.827SS**PPolyproline II helixtrans-67.3129.6171.8-78.7177.8170.9172-3.7110.3
502M34.1Very low34.4Very low182 Ų182137.1 Ų137.190%0.89782%0.821SS**PPolyproline II helixtrans-75.2139.2163.9-69.9-150.6-76.400110.4
503P37.4Very low35Very low125 Ų125136.1 Ų136.181%0.81282%0.824SS**PPolyproline II helixtrans-78.6138.1178.128.3-30000112.3
504T32.8Very low35Very low139 Ų139134.4 Ų134.485%0.85383%0.828SS**PPolyproline II helixtrans-64126.8172.431.10000111.6
505A34.5Very low35.2Very low105 Ų105134.1 Ų134.187%0.86883%0.832SS**PPolyproline II helixtrans-74.6128.2174.900000111.2
506V35.2Very low35.3Very low142 Ų142135 Ų13586%0.86184%0.835SS**PPolyproline II helixtrans-86.5126.4172.3177.50000108.4
507A35.9Very low35.9Very low101 Ų101133.7 Ų133.784%0.83583%0.831SS**PPolyproline II helixtrans-75.3127.4175.200000111
508G34.4Very low36.6Very low61 Ų61129.2 Ų129.263%0.62983%0.825SS**  trans-114.4157.3167.100000110.8
509P39.2Very low37.1Very low136 Ų136131 Ų13188%0.88384%0.844SS**PPolyproline II helixtrans-83143-153.432.8-34.2000113.6
510V37.3Very low37.3Very low145 Ų145128.8 Ų128.888%0.87984%0.843SS**PPolyproline II helixtrans-91.5120.4172.9178.30000109.2
511A35.9Very low37.5Very low94 Ų94129.2 Ų129.278%0.77785%0.846SS**PPolyproline II helixtrans-76.6134167.700000110.3
512G38Very low37.7Very low69 Ų69122.6 Ų122.671%0.71184%0.842SS**  trans-75.2174.5175.400000113.9
513P44.9Very low37.9Very low134 Ų134119.1 Ų119.187%0.8784%0.838SS**  -136.6172.5116.133.9-19.1000113.5
514G32.7Very low37.9Very low78 Ų78118.8 Ų118.880%0.80484%0.84SS**  trans-63.8-172.9-167.200000116.3
515A35.3Very low38.3Very low98 Ų98117.4 Ų117.481%0.8184%0.839SS**  cis-163.1154.324.900000108.9
516T37.6Very low38.5Very low148 Ų148118.3 Ų118.391%0.90884%0.837SS**  trans-153127.9147.937.70000110.5
517S42.5Very low38.8Very low105 Ų105116.5 Ų116.573%0.73484%0.835SS**  trans-91.1150.5168.749.40000110.8
518S47.7Very low39Very low105 Ų105117.8 Ų117.873%0.73484%0.835SS**  trans53.6127.6150.6580000118
519N42.8Very low39.5Very low240 Ų240122.9 Ų122.9100%1.28385%0.854SS**  cis-147.8032.8-98.2-18.4000110.7

Retrieved 519 of 519 residues in 136.7 ms (Link to these results)

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