A0A3Q0KDJ4_SCHMA Loading...

tRNA-dihydrouridine synthase, putative AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KDJ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 370 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
1M71.3Confident87.2Confident152 Ų15270.4 Ų70.475%0.74937%0.37SS*.  0129.80-177.7175.1-121.200109R137 W138M1-R137 PolarHBondContact O-NH1 3.01Å; M1-R137 PolarHBondContact O-NH2 2.73Å; M1-W138 HydrophobicContact CB-CH2 4.49Å; M1-W138 HydrophobicContact CB-CZ2 3.85Å; M1-W138 HydrophobicContact CG-CZ2 4.17Å; M1-W138 HydrophobicContact SD-CH2 3.78Å; M1-W138 HydrophobicContact SD-CZ2 4.02Å
2D84.6Confident87.7Confident45 Ų4564.8 Ų64.824%0.24134%0.341CS..  trans-69.7130.3170.2168.231.4000109.1F4 S5 C6 L251D2-F4 PolarHBondContact OD1-N 3.03Å; D2-S5 WeakPolarHBondContact CB-OG 3.17Å; D2-S5 PolarHBondContact O-OG 2.82Å; D2-S5 WeakPolarHBondContact OD2-CB 3.24Å; D2-S5 PolarHBondContact OD2-N 3.07Å; D2-S5 PolarHBondContact OD2-OG 3.37Å; D2-C6 PolarHBondContact O-SG 3.23Å; D2-C6 VanDerWaalsContact O-SG 3.41Å; D2-L251 HydrophobicContact CB-CD1 3.98Å
3I87.6Confident88.3Confident0 Ų063.7 Ų63.70%034%0.339CS..SBendtrans-83.1-32.4-176.4-71.2172000110.2C6 Y7 R137 W138 P174 S176I3-C6 VanDerWaalsContact O-CB 3.28Å; I3-C6 WeakPolarHBondContact O-CB 3.3Å; I3-C6 PolarHBondContact O-N 3.36Å; I3-Y7 HydrophobicContact CG2-CE2 4.01Å; I3-Y7 WeakPolarHBondContact CG2-OH 3.41Å; I3-R137 HydrophobicContact CD1-CG 3.47Å; I3-R137 VanDerWaalsContact CD1-CG 3.47Å; I3-R137 VanDerWaalsContact CD1-CZ 3.42Å; I3-W138 HydrophobicContact CG1-CZ2 4.29Å; I3-P174 HydrophobicContact CB-CB 4.3Å; I3-P174 HydrophobicContact CD1-CB 3.45Å; I3-P174 VanDerWaalsContact CD1-CB 3.45Å; I3-P174 HydrophobicContact CG1-CB 3.45Å; I3-P174 VanDerWaalsContact CG1-CB 3.45Å; I3-P174 HydrophobicContact CG2-CB 3.9Å; I3-P174 HydrophobicContact CG2-CG 4.47Å; I3-S176 WeakPolarHBondContact CG2-OG 3.42Å
4F89.9Confident88.9Confident7 Ų759.1 Ų59.13%0.03132%0.315CS..SBendtrans-69.6-41.1-174.9-173.5-102.9000111.4D2 C6 Y7 V15 I17 W217 P256 I258 H279D2-F4 PolarHBondContact OD1-N 3.03Å; F4-C6 PolarHBondContact O-N 2.95Å; F4-Y7 HydrophobicContact CD2-CD2 4.42Å; F4-Y7 WeakPolarHBondContact O-CB 3.39Å; F4-Y7 PolarHBondContact O-N 3.17Å; F4-V15 HydrophobicContact CD1-CG2 4.1Å; F4-V15 HydrophobicContact CE1-CB 4.08Å; F4-V15 HydrophobicContact CE1-CG2 3.39Å; F4-V15 HydrophobicContact CE2-CB 4.34Å; F4-V15 HydrophobicContact CE2-CG2 4.2Å; F4-V15 HydrophobicContact CZ-CB 3.65Å; F4-V15 HydrophobicContact CZ-CG1 4.29Å; F4-V15 HydrophobicContact CZ-CG2 3.47Å; F4-V15 VanDerWaalsContact CZ-CG2 3.47Å; F4-I17 HydrophobicContact CE2-CD1 4.03Å; F4-I17 HydrophobicContact CZ-CD1 4.16Å; F4-W217 HydrophobicContact CB-CE3 4.27Å; F4-W217 HydrophobicContact CD2-CB 4.35Å; F4-W217 AromaticContact CD2-CD2 3.83Å; F4-W217 HydrophobicContact CD2-CD2 3.83Å; F4-W217 AromaticContact CD2-CE3 3.66Å; F4-W217 HydrophobicContact CD2-CE3 3.66Å; F4-W217 HydrophobicContact CD2-CG 4.16Å; F4-W217 HydrophobicContact CD2-CZ3 4.25Å; F4-W217 HydrophobicContact CE2-CD2 4.31Å; F4-W217 HydrophobicContact CE2-CG 4.39Å; F4-W217 HydrophobicContact CG-CE3 4.41Å; F4-P256 HydrophobicContact CB-CB 4.29Å; F4-P256 HydrophobicContact CB-CG 3.74Å; F4-P256 HydrophobicContact CD1-CB 3.62Å; F4-P256 HydrophobicContact CD1-CG 3.81Å; F4-P256 HydrophobicContact CD2-CB 4.42Å; F4-P256 HydrophobicContact CE1-CB 4Å; F4-P256 HydrophobicContact CG-CB 3.84Å; F4-P256 HydrophobicContact CG-CG 3.85Å; F4-I258 HydrophobicContact CE2-CD1 3.72Å; F4-I258 HydrophobicContact CE2-CG1 4.04Å; F4-I258 HydrophobicContact CZ-CD1 4.1Å; F4-I258 HydrophobicContact CZ-CG1 3.89Å; F4-H279 HydrophobicContact CD1-CB 4.39Å; F4-H279 HydrophobicContact CE1-CB 3.75Å; F4-H279 WeakPolarHBondContact CE1-O 3.39Å
5S87.5Confident89.5Confident62 Ų6255.2 Ų55.243%0.43429%0.294SS..G310 helixtrans-58.5-26.3172.641.60000113.9D2 Y7 K8D2-S5 WeakPolarHBondContact CB-OG 3.17Å; D2-S5 PolarHBondContact O-OG 2.82Å; D2-S5 WeakPolarHBondContact OD2-CB 3.24Å; D2-S5 PolarHBondContact OD2-N 3.07Å; D2-S5 PolarHBondContact OD2-OG 3.37Å; S5-Y7 PolarHBondContact O-N 3.17Å; S5-Y7 VanDerWaalsContact O-N 3.13Å; S5-K8 PolarHBondContact O-N 3.02Å
6C87.5Confident90Very high67 Ų6751.8 Ų51.845%0.45328%0.276SS..G310 helixtrans-63.8-15.7174.3-61.10000113.5D2 I3 F4D2-C6 PolarHBondContact O-SG 3.23Å; D2-C6 VanDerWaalsContact O-SG 3.41Å; I3-C6 VanDerWaalsContact O-CB 3.28Å; I3-C6 WeakPolarHBondContact O-CB 3.3Å; I3-C6 PolarHBondContact O-N 3.36Å; F4-C6 PolarHBondContact O-N 2.95Å
7Y90.3Very high90.5Very high20 Ų2048.7 Ų48.78%0.07826%0.259CS..G310 helixtrans-97.7-11.9178.7-51.8-41.7000113.4I3 F4 S5 D39 L40 P70 S176 W217I3-Y7 HydrophobicContact CG2-CE2 4.01Å; I3-Y7 WeakPolarHBondContact CG2-OH 3.41Å; F4-Y7 HydrophobicContact CD2-CD2 4.42Å; F4-Y7 WeakPolarHBondContact O-CB 3.39Å; F4-Y7 PolarHBondContact O-N 3.17Å; S5-Y7 PolarHBondContact O-N 3.17Å; S5-Y7 VanDerWaalsContact O-N 3.13Å; Y7-D39 VanDerWaalsContact O-CB 3.32Å; Y7-D39 WeakPolarHBondContact O-CB 3.38Å; Y7-L40 HydrophobicContact CD1-CD1 4.37Å; Y7-L40 HydrophobicContact CD2-CD1 3.91Å; Y7-L40 HydrophobicContact CD2-CD2 4.32Å; Y7-L40 HydrophobicContact CE1-CD1 4.47Å; Y7-L40 HydrophobicContact CE2-CD1 4.03Å; Y7-L40 HydrophobicContact CG-CD1 4.09Å; Y7-P70 HydrophobicContact CD1-CB 3.69Å; Y7-P70 HydrophobicContact CD1-CG 3.54Å; Y7-P70 HydrophobicContact CE1-CB 3.42Å; Y7-P70 VanDerWaalsContact CE1-CB 3.42Å; Y7-P70 HydrophobicContact CE1-CG 3.86Å; Y7-P70 HydrophobicContact CG-CG 4.28Å; Y7-S176 PolarHBondContact OH-OG 3.02Å; Y7-W217 AromaticContact CE2-CH2 3.76Å; Y7-W217 HydrophobicContact CE2-CH2 3.76Å; Y7-W217 AromaticContact CE2-CZ3 3.8Å; Y7-W217 HydrophobicContact CE2-CZ3 3.8Å
8K89Confident91Very high91 Ų9146 Ų4640%0.39625%0.245SC..  trans-79.7130.5-178.7-171.9175.2167.6179.70110S5 L12 P13 V15S5-K8 PolarHBondContact O-N 3.02Å; K8-L12 WeakPolarHBondContact CE-O 3.38Å; K8-P13 WeakPolarHBondContact CE-O 3.48Å; K8-P13 VanDerWaalsContact NZ-C 3.33Å; K8-P13 PolarHBondContact NZ-O 3.17Å; K8-V15 HydrophobicContact CB-CG2 3.73Å; K8-V15 HydrophobicContact CG-CG2 4.21Å
9K90.3Very high91.4Very high80 Ų8043.9 Ų43.935%0.34824%0.235SC..  trans-91.3154.9164.1-54.7178.3-173.1151.20110.1D11 D39K9-D11 VanDerWaalsContact C-N 3.26Å; K9-D11 WeakPolarHBondContact CB-OD1 3.37Å; K9-D11 PolarHBondContact O-N 3.13Å; K9-D39 VanDerWaalsContact CD-OD1 3.26Å; K9-D39 WeakPolarHBondContact CD-OD1 3.18Å; K9-D39 WeakPolarHBondContact CE-OD1 3.48Å; K9-D39 WeakPolarHBondContact CG-OD1 3.33Å; K9-D39 IonicContact NZ-OD1 3.79Å; K9-D39 PolarHBondContact NZ-OD1 2.96Å
10D89.4Confident91.7Very high167 Ų16742.6 Ų42.689%0.89323%0.229SC*.THydrogen-bonded Turntrans-74.1-11.3-170.6-62.5-36.6000114.9
11D92.2Very high91.9Very high83 Ų8341.6 Ų41.644%0.44422%0.223SC..THydrogen-bonded Turntrans-85-14.2-172.262.8-51.9000114.6K9 R16K9-D11 VanDerWaalsContact C-N 3.26Å; K9-D11 WeakPolarHBondContact CB-OD1 3.37Å; K9-D11 PolarHBondContact O-N 3.13Å; D11-R16 IonicContact OD1-CZ 4Å; D11-R16 IonicContact OD1-NH1 3.63Å; D11-R16 IonicContact OD1-NH2 3.38Å; D11-R16 PolarHBondContact OD1-NH2 2.65Å; D11-R16 IonicContact OD2-CZ 3.97Å; D11-R16 IonicContact OD2-NH2 2.84Å; D11-R16 PolarHBondContact OD2-NH2 3.33Å
12L93Very high92.9Very high4 Ų437.9 Ų37.92%0.02121%0.209CC..SBendtrans-129.5153172.3-70.2-173.9000111.9K8 F14 R16 L266 Y270K8-L12 WeakPolarHBondContact CE-O 3.38Å; L12-F14 HydrophobicContact CB-CE2 4.41Å; L12-F14 HydrophobicContact CB-CZ 4.43Å; L12-F14 HydrophobicContact CD1-CE2 3.65Å; L12-F14 HydrophobicContact CD1-CZ 3.69Å; L12-F14 HydrophobicContact CG-CZ 4.49Å; L12-F14 PolarHBondContact O-N 3.25Å; L12-R16 VanDerWaalsContact CB-NH2 3.33Å; L12-R16 HydrophobicContact CD1-CG 3.89Å; L12-L266 HydrophobicContact CD1-CD1 4.02Å; L12-Y270 HydrophobicContact CD2-CE1 3.78Å; L12-Y270 HydrophobicContact CD2-CE2 4.2Å; L12-Y270 WeakPolarHBondContact CD2-OH 3.41Å
13P95.1Very high93.2Very high50 Ų5041.8 Ų41.833%0.32522%0.22SC..SBendtrans-73.5-8.3-178.327.7-31.6000113.8K8 Y270 Q273K8-P13 WeakPolarHBondContact CE-O 3.48Å; K8-P13 VanDerWaalsContact NZ-C 3.33Å; K8-P13 PolarHBondContact NZ-O 3.17Å; P13-Y270 HydrophobicContact CG-CD1 4.22Å; P13-Y270 HydrophobicContact CG-CE1 4.17Å; P13-Q273 HydrophobicContact CB-CG 4.49Å; P13-Q273 HydrophobicContact CG-CG 4.44Å
14F96.9Very high93.5Very high0 Ų043 Ų430%023%0.225CC..SBendtrans-131.4159.3-177.551.2-99.6000111.9L12 R16 L266 A269 Y270 Q273 V281 F294L12-F14 HydrophobicContact CB-CE2 4.41Å; L12-F14 HydrophobicContact CB-CZ 4.43Å; L12-F14 HydrophobicContact CD1-CE2 3.65Å; L12-F14 HydrophobicContact CD1-CZ 3.69Å; L12-F14 HydrophobicContact CG-CZ 4.49Å; L12-F14 PolarHBondContact O-N 3.25Å; F14-R16 HydrophobicContact CD2-CG 4.31Å; F14-R16 HydrophobicContact CE2-CG 4.05Å; F14-L266 HydrophobicContact CZ-CD1 4.41Å; F14-A269 HydrophobicContact CE1-CB 4.22Å; F14-A269 HydrophobicContact CE2-CB 4.08Å; F14-A269 HydrophobicContact CZ-CB 3.59Å; F14-Y270 HydrophobicContact CE1-CD1 4.07Å; F14-Y270 HydrophobicContact CE1-CE1 4.46Å; F14-Y270 HydrophobicContact CE1-CG 4.42Å; F14-Q273 HydrophobicContact CB-CG 4.15Å; F14-Q273 HydrophobicContact CD1-CB 3.6Å; F14-Q273 HydrophobicContact CD1-CG 3.88Å; F14-Q273 HydrophobicContact CE1-CB 4.29Å; F14-Q273 HydrophobicContact CG-CB 4.43Å; F14-Q273 HydrophobicContact CG-CG 4.5Å; F14-V281 HydrophobicContact CB-CG2 4.23Å; F14-V281 HydrophobicContact CD1-CG2 4.19Å; F14-V281 HydrophobicContact CD2-CB 4.04Å; F14-V281 HydrophobicContact CD2-CG2 3.9Å; F14-V281 HydrophobicContact CE2-CB 4.33Å; F14-V281 HydrophobicContact CE2-CG2 4.32Å; F14-V281 HydrophobicContact CG-CB 4.47Å; F14-V281 HydrophobicContact CG-CG2 3.84Å; F14-F294 HydrophobicContact CE2-CD1 4.13Å; F14-F294 AromaticContact CE2-CE1 3.84Å; F14-F294 HydrophobicContact CE2-CE1 3.84Å
15V97.8Very high93.7Very high0 Ų042.6 Ų42.60%022%0.223CC..EExtended strand (participates in β ladder)trans-74.9132.4167.6-175.50000110F4 K8 I17 D39 L40 H279 G280 V281F4-V15 HydrophobicContact CD1-CG2 4.1Å; F4-V15 HydrophobicContact CE1-CB 4.08Å; F4-V15 HydrophobicContact CE1-CG2 3.39Å; F4-V15 HydrophobicContact CE2-CB 4.34Å; F4-V15 HydrophobicContact CE2-CG2 4.2Å; F4-V15 HydrophobicContact CZ-CB 3.65Å; F4-V15 HydrophobicContact CZ-CG1 4.29Å; F4-V15 HydrophobicContact CZ-CG2 3.47Å; F4-V15 VanDerWaalsContact CZ-CG2 3.47Å; K8-V15 HydrophobicContact CB-CG2 3.73Å; K8-V15 HydrophobicContact CG-CG2 4.21Å; V15-I17 HydrophobicContact CB-CD1 4.32Å; V15-I17 HydrophobicContact CB-CG1 4.27Å; V15-I17 HydrophobicContact CG1-CD1 4.08Å; V15-I17 HydrophobicContact CG1-CG1 3.76Å; V15-D39 HydrophobicContact CG1-CB 4.01Å; V15-L40 HydrophobicContact CG1-CB 4.44Å; V15-H279 PolarHBondContact N-O 3.05Å; V15-H279 VanDerWaalsContact N-O 3.13Å; V15-G280 VanDerWaalsContact O-CA 3.32Å; V15-G280 WeakPolarHBondContact O-CA 3.39Å; V15-V281 PolarHBondContact O-N 2.64Å
16R98.1Very high94.1Very high0 Ų040.2 Ų40.20%021%0.205CC..EExtended strand (participates in β ladder)trans-90119178.2-52.8153.1-168.7103.16.8109.9D11 L12 F14 N37 D39 L40 F294D11-R16 IonicContact OD1-CZ 4Å; D11-R16 IonicContact OD1-NH1 3.63Å; D11-R16 IonicContact OD1-NH2 3.38Å; D11-R16 PolarHBondContact OD1-NH2 2.65Å; D11-R16 IonicContact OD2-CZ 3.97Å; D11-R16 IonicContact OD2-NH2 2.84Å; D11-R16 PolarHBondContact OD2-NH2 3.33Å; L12-R16 VanDerWaalsContact CB-NH2 3.33Å; L12-R16 HydrophobicContact CD1-CG 3.89Å; F14-R16 HydrophobicContact CD2-CG 4.31Å; F14-R16 HydrophobicContact CE2-CG 4.05Å; R16-N37 WeakPolarHBondContact CD-O 3.48Å; R16-D39 WeakPolarHBondContact CB-OD2 3.4Å; R16-D39 WeakPolarHBondContact CD-OD2 3.33Å; R16-D39 WeakPolarHBondContact CG-OD2 3.39Å; R16-D39 IonicContact CZ-OD1 2.8Å; R16-D39 IonicContact CZ-OD2 2.68Å; R16-D39 PolarHBondContact N-OD2 2.74Å; R16-D39 IonicContact NE-OD2 3.32Å; R16-D39 IonicContact NH1-OD1 3.33Å; R16-D39 PolarHBondContact NH1-OD1 3.03Å; R16-D39 IonicContact NH1-OD2 3.2Å; R16-D39 PolarHBondContact NH1-OD2 2.95Å; R16-D39 PolarHBondContact O-N 3.19Å; R16-L40 PolarHBondContact O-N 3.15Å; R16-L40 VanDerWaalsContact O-N 3.13Å; R16-F294 HydrophobicContact CB-CB 4.21Å; R16-F294 HydrophobicContact CB-CD1 3.89Å; R16-F294 HydrophobicContact CB-CD2 3.86Å; R16-F294 HydrophobicContact CB-CE1 4.06Å; R16-F294 HydrophobicContact CB-CE2 3.99Å; R16-F294 HydrophobicContact CB-CG 3.75Å; R16-F294 HydrophobicContact CB-CZ 4.06Å; R16-F294 HydrophobicContact CG-CB 4.03Å; R16-F294 HydrophobicContact CG-CD1 3.67Å; R16-F294 HydrophobicContact CG-CD2 4.45Å; R16-F294 HydrophobicContact CG-CE1 4.1Å; R16-F294 HydrophobicContact CG-CG 3.84Å
17I98.5Very high94.5Very high0 Ų037.2 Ų37.20%019%0.185CC..EExtended strand (participates in β ladder)trans-126.1131.8-169.1-50.7179.9000110.6F4 V15 L40 I258 V281 M282 V283F4-I17 HydrophobicContact CE2-CD1 4.03Å; F4-I17 HydrophobicContact CZ-CD1 4.16Å; V15-I17 HydrophobicContact CB-CD1 4.32Å; V15-I17 HydrophobicContact CB-CG1 4.27Å; V15-I17 HydrophobicContact CG1-CD1 4.08Å; V15-I17 HydrophobicContact CG1-CG1 3.76Å; I17-L40 CarbonylContact C-O 3.58Å; I17-L40 VanDerWaalsContact CA-O 3.31Å; I17-L40 WeakPolarHBondContact CA-O 3.45Å; I17-L40 HydrophobicContact CD1-CD2 4.18Å; I17-L40 HydrophobicContact CG1-CB 4.09Å; I17-L40 HydrophobicContact CG1-CD2 4.4Å; I17-L40 HydrophobicContact CG2-CB 4.25Å; I17-L40 HydrophobicContact CG2-CD2 4.28Å; I17-I258 HydrophobicContact CD1-CD1 3.46Å; I17-I258 VanDerWaalsContact CD1-CD1 3.46Å; I17-I258 HydrophobicContact CD1-CG1 3.85Å; I17-I258 HydrophobicContact CD1-CG2 3.86Å; I17-V281 PolarHBondContact N-O 3.37Å; I17-M282 HydrophobicContact CB-CB 4.01Å; I17-M282 HydrophobicContact CB-CG 4.32Å; I17-M282 HydrophobicContact CG2-CB 4.17Å; I17-M282 HydrophobicContact CG2-CE 3.65Å; I17-M282 HydrophobicContact CG2-CG 4.04Å; I17-M282 CarbonylContact O-C 3.3Å; I17-M282 VanDerWaalsContact O-CA 3.27Å; I17-M282 WeakPolarHBondContact O-CA 3.48Å; I17-V283 PolarHBondContact O-N 3.27Å
18S98.5Very high94.8Very high0 Ų036.5 Ų36.50%018%0.182CC..EExtended strand (participates in β ladder)trans-85.6134.2167.573.40000111.1L40 V41 H42S18-L40 PolarHBondContact N-O 3.17Å; S18-V41 VanDerWaalsContact OG-CA 3.27Å; S18-V41 WeakPolarHBondContact OG-CA 3.45Å; S18-V41 WeakPolarHBondContact OG-CB 3.42Å; S18-H42 PolarHBondContact O-ND1 3.04Å; S18-H42 PolarHBondContact OG-N 3.22Å
19A98.5Very high95.1Very high6 Ų632.2 Ų32.25%0.0516%0.163CC..PPolyproline II helixtrans-74.1146.3177.900000110.9M21 T25 M282 V283A19-M21 PolarHBondContact O-N 3Å; A19-T25 VanDerWaalsContact O-CG2 3.26Å; A19-T25 WeakPolarHBondContact O-CG2 3.41Å; A19-M282 HydrophobicContact CB-CG 3.65Å; A19-M282 HydrophobicContact CB-SD 3.71Å; A19-V283 WeakPolarHBondContact CB-O 3.27Å; A19-V283 PolarHBondContact N-O 3.28Å
20P98.3Very high95.5Very high18 Ų1828.5 Ų28.512%0.11715%0.147CC..PPolyproline II helixtrans-64.3124169.521.4-25.8000109.9H42 T43 Q74 K180P20-H42 HydrophobicContact CB-CB 3.84Å; P20-H42 HydrophobicContact CG-CB 4.15Å; P20-T43 VanDerWaalsContact CA-O 3.29Å; P20-T43 WeakPolarHBondContact CA-O 3.28Å; P20-T43 WeakPolarHBondContact CB-O 3.48Å; P20-Q74 HydrophobicContact CB-CB 3.85Å; P20-Q74 HydrophobicContact CB-CG 4.29Å; P20-Q74 HydrophobicContact CG-CB 4.13Å; P20-Q74 HydrophobicContact CG-CG 4.21Å; P20-K180 HydrophobicContact CG-CD 4.07Å
21M96.3Very high95.8Very high21 Ų2121 Ų2110%0.10311%0.107CC..  trans-131.3113.8-179.9-63.7178.1-76.900109.5A19 R23 Y24 T25 F29 L288A19-M21 PolarHBondContact O-N 3Å; M21-R23 PolarHBondContact O-N 2.81Å; M21-Y24 HydrophobicContact CB-CD2 4.12Å; M21-Y24 PolarHBondContact O-N 2.83Å; M21-T25 HydrophobicContact CB-CG2 4.16Å; M21-T25 HydrophobicContact CE-CG2 3.57Å; M21-T25 HydrophobicContact CG-CG2 4.49Å; M21-T25 PolarHBondContact N-OG1 3.12Å; M21-T25 VanDerWaalsContact N-OG1 3.08Å; M21-T25 PolarHBondContact O-N 2.69Å; M21-T25 PolarHBondContact O-OG1 3.12Å; M21-F29 HydrophobicContact CE-CE1 4.02Å; M21-L288 HydrophobicContact CE-CD2 3.77Å; M21-L288 HydrophobicContact CE-CG 4.08Å; M21-L288 HydrophobicContact SD-CD1 3.97Å; M21-L288 HydrophobicContact SD-CD2 4.01Å; M21-L288 HydrophobicContact SD-CG 3.87Å
22V92.5Very high96Very high75 Ų7517.1 Ų17.146%0.4559%0.086SC..THydrogen-bonded Turntrans-49.4133176.9177.20000109.8Y24 M45V22-Y24 VanDerWaalsContact O-CD2 3.32Å; V22-Y24 WeakPolarHBondContact O-CD2 3.36Å; V22-Y24 PolarHBondContact O-N 3.41Å; V22-Y24 VanDerWaalsContact O-N 3.11Å; V22-M45 HydrophobicContact CG2-CB 3.95Å; V22-M45 HydrophobicContact CG2-CE 4.27Å
23R89.7Confident96.3Very high127 Ų12716.9 Ų16.948%0.4799%0.085SC..THydrogen-bonded Turntrans70.6-38.7-170.6-60.5176.1-73.4-175.2-3.1115.9M21 K26 T327M21-R23 PolarHBondContact O-N 2.81Å; R23-K26 VanDerWaalsContact O-CG 3.23Å; R23-K26 WeakPolarHBondContact O-CG 3.4Å; R23-T327 HydrophobicContact CB-CG2 4.04Å; R23-T327 WeakPolarHBondContact O-CG2 3.2Å
24Y93.5Very high96.3Very high24 Ų2416.1 Ų16.19%0.0948%0.076CC..THydrogen-bonded Turntrans-90.2-42.6-165.6-54.6-67.3000116M21 V22 K26 F29 L288 Q330 Q331 W334M21-Y24 HydrophobicContact CB-CD2 4.12Å; M21-Y24 PolarHBondContact O-N 2.83Å; V22-Y24 VanDerWaalsContact O-CD2 3.32Å; V22-Y24 WeakPolarHBondContact O-CD2 3.36Å; V22-Y24 PolarHBondContact O-N 3.41Å; V22-Y24 VanDerWaalsContact O-N 3.11Å; Y24-K26 PolarHBondContact O-N 3.41Å; Y24-F29 WeakPolarHBondContact O-CD1 3.05Å; Y24-L288 VanDerWaalsContact CB-CD2 3.49Å; Y24-L288 HydrophobicContact CD1-CD2 4.23Å; Y24-L288 HydrophobicContact CD2-CD1 3.92Å; Y24-L288 HydrophobicContact CD2-CD2 4.15Å; Y24-L288 HydrophobicContact CE2-CD1 4.09Å; Y24-L288 HydrophobicContact CG-CD1 4.23Å; Y24-L288 HydrophobicContact CG-CD2 3.71Å; Y24-Q330 HydrophobicContact CE1-CB 4.39Å; Y24-Q330 HydrophobicContact CE1-CG 3.96Å; Y24-Q330 PolarHBondContact OH-NE2 3.2Å; Y24-Q330 VanDerWaalsContact OH-NE2 3.14Å; Y24-Q330 PolarHBondContact OH-OE1 3.1Å; Y24-Q331 HydrophobicContact CD1-CB 4.42Å; Y24-W334 AromaticContact CE1-CD1 3.9Å; Y24-W334 AromaticContact CE1-NE1 3.72Å; Y24-W334 AromaticContact CZ-NE1 3.57Å; Y24-W334 PolarHBondContact OH-NE1 2.98Å; Y24-W334 VanDerWaalsContact OH-NE1 3.15Å
25T95.6Very high96.2Very high0 Ų021.2 Ų21.20%010%0.1CC..SBendtrans-76.941.8-176.849.30000113.7A19 M21 F29 R30 H42 T43 P44A19-T25 VanDerWaalsContact O-CG2 3.26Å; A19-T25 WeakPolarHBondContact O-CG2 3.41Å; M21-T25 HydrophobicContact CB-CG2 4.16Å; M21-T25 HydrophobicContact CE-CG2 3.57Å; M21-T25 HydrophobicContact CG-CG2 4.49Å; M21-T25 PolarHBondContact N-OG1 3.12Å; M21-T25 VanDerWaalsContact N-OG1 3.08Å; M21-T25 PolarHBondContact O-N 2.69Å; M21-T25 PolarHBondContact O-OG1 3.12Å; T25-F29 HydrophobicContact CG2-CD1 4.26Å; T25-F29 HydrophobicContact CG2-CE1 4.4Å; T25-R30 VanDerWaalsContact O-CD 3.3Å; T25-R30 WeakPolarHBondContact O-CD 3.32Å; T25-R30 WeakPolarHBondContact O-CG 3.44Å; T25-R30 PolarHBondContact O-NH1 2.64Å; T25-H42 WeakPolarHBondContact CB-O 3.39Å; T25-H42 PolarHBondContact OG1-O 3.46Å; T25-T43 PolarHBondContact OG1-O 3.19Å; T25-T43 VanDerWaalsContact OG1-O 3.04Å; T25-P44 WeakPolarHBondContact O-CD 3.36Å; T25-P44 WeakPolarHBondContact OG1-CA 3.17Å; T25-P44 VanDerWaalsContact OG1-N 3.08Å
26K95.2Very high96.1Very high12 Ų1222.3 Ų22.35%0.05211%0.105CC..SBendtrans-73.7167.8171.3-65.1-74.2-178.6-177.10110.6R23 Y24 F29 R30 P44 I60 E61R23-K26 VanDerWaalsContact O-CG 3.23Å; R23-K26 WeakPolarHBondContact O-CG 3.4Å; Y24-K26 PolarHBondContact O-N 3.41Å; K26-F29 PolarHBondContact O-N 3.1Å; K26-F29 VanDerWaalsContact O-N 3.14Å; K26-R30 VanDerWaalsContact C-NH1 3.31Å; K26-R30 WeakPolarHBondContact O-CG 3.44Å; K26-R30 PolarHBondContact O-N 2.8Å; K26-P44 HydrophobicContact CD-CG 3.88Å; K26-P44 HydrophobicContact CG-CG 4.15Å; K26-I60 PolarHBondContact NZ-O 3.25Å; K26-E61 PolarHBondContact NZ-O 3.46Å; K26-E61 VanDerWaalsContact NZ-O 3.15Å; K26-E61 IonicContact NZ-OE2 3.25Å; K26-E61 PolarHBondContact NZ-OE2 3.14Å
27L96.1Very high95.9Very high4 Ų424.4 Ų24.42%0.02112%0.116CC..Hα-helixtrans-52.7-49.6-168.5176.859.5000114.2F29 R30 L31 T63 C65 D68 Y319L27-F29 VanDerWaalsContact C-N 3.27Å; L27-F29 PolarHBondContact O-N 3.36Å; L27-R30 PolarHBondContact O-N 2.72Å; L27-R30 VanDerWaalsContact O-N 3.16Å; L27-L31 HydrophobicContact CD1-CD1 3.89Å; L27-L31 HydrophobicContact CD1-CD2 4.2Å; L27-L31 HydrophobicContact CD1-CG 3.81Å; L27-L31 HydrophobicContact CG-CD1 4.09Å; L27-L31 HydrophobicContact CG-CG 4.41Å; L27-L31 WeakPolarHBondContact O-CG 3.49Å; L27-L31 PolarHBondContact O-N 2.85Å; L27-T63 WeakPolarHBondContact CB-OG1 3.27Å; L27-C65 HydrophobicContact CD2-CB 4.48Å; L27-D68 HydrophobicContact CD1-CB 3.77Å; L27-D68 WeakPolarHBondContact CD1-OD2 3.27Å; L27-Y319 HydrophobicContact CD2-CD1 3.55Å; L27-Y319 HydrophobicContact CD2-CE1 4.23Å; L27-Y319 HydrophobicContact CD2-CG 3.94Å; L27-Y319 HydrophobicContact CG-CD1 4.28Å; L27-Y319 HydrophobicContact CG-CG 4.23Å
28P95.6Very high95.9Very high4 Ų424.5 Ų24.53%0.02612%0.116CC..Hα-helixtrans-53.5-45.5178.9-26.132.6000113L31 L32 L315 Y319P28-L31 PolarHBondContact O-N 2.84Å; P28-L32 PolarHBondContact O-N 3.19Å; P28-L315 HydrophobicContact CB-CB 4.07Å; P28-Y319 WeakPolarHBondContact CG-O 3.42Å
29F96.5Very high95.8Very high1 Ų124.9 Ų24.90%0.00412%0.118CC..Hα-helixtrans-71.5-37.9-178.6-175.6-136.8000112.6M21 Y24 T25 K26 L27 L31 L32 L33 L287 L288 P291 Q331M21-F29 HydrophobicContact CE-CE1 4.02Å; Y24-F29 WeakPolarHBondContact O-CD1 3.05Å; T25-F29 HydrophobicContact CG2-CD1 4.26Å; T25-F29 HydrophobicContact CG2-CE1 4.4Å; K26-F29 PolarHBondContact O-N 3.1Å; K26-F29 VanDerWaalsContact O-N 3.14Å; L27-F29 VanDerWaalsContact C-N 3.27Å; L27-F29 PolarHBondContact O-N 3.36Å; F29-L31 VanDerWaalsContact C-N 3.29Å; F29-L31 PolarHBondContact O-N 2.99Å; F29-L32 HydrophobicContact CD2-CB 4.46Å; F29-L32 HydrophobicContact CD2-CD2 4.06Å; F29-L32 HydrophobicContact CE2-CD2 4.27Å; F29-L32 WeakPolarHBondContact O-CB 3.34Å; F29-L32 PolarHBondContact O-N 3.47Å; F29-L33 HydrophobicContact CD1-CD1 3.98Å; F29-L33 HydrophobicContact CD1-CG 4.46Å; F29-L33 HydrophobicContact CD2-CD1 4.5Å; F29-L33 HydrophobicContact CD2-CD2 4.5Å; F29-L33 HydrophobicContact CD2-CG 4.11Å; F29-L33 HydrophobicContact CE1-CD1 3.7Å; F29-L33 HydrophobicContact CE1-CD2 4.45Å; F29-L33 HydrophobicContact CE1-CG 4.22Å; F29-L33 HydrophobicContact CE2-CD1 4.27Å; F29-L33 HydrophobicContact CE2-CD2 3.79Å; F29-L33 HydrophobicContact CE2-CG 3.87Å; F29-L33 HydrophobicContact CG-CD1 4.37Å; F29-L33 HydrophobicContact CG-CG 4.41Å; F29-L33 HydrophobicContact CZ-CD1 3.86Å; F29-L33 HydrophobicContact CZ-CD2 3.76Å; F29-L33 HydrophobicContact CZ-CG 3.92Å; F29-L33 VanDerWaalsContact O-CG 3.25Å; F29-L33 WeakPolarHBondContact O-CG 3.33Å; F29-L33 PolarHBondContact O-N 3.34Å; F29-L287 HydrophobicContact CZ-CB 4.31Å; F29-L287 WeakPolarHBondContact CZ-O 3.31Å; F29-L288 HydrophobicContact CE1-CD2 3.71Å; F29-L288 HydrophobicContact CZ-CD2 4.06Å; F29-P291 HydrophobicContact CE2-CB 4.34Å; F29-P291 HydrophobicContact CE2-CG 4.1Å; F29-Q331 VanDerWaalsContact CE2-NE2 3.26Å
30R97.5Very high95.7Very high2 Ų224.6 Ų24.61%0.00812%0.116CC..Hα-helixtrans-61.6-39.8175.2-65.2-168.4-48.1-94.72.7111.6T25 K26 L27 L33 R34 V41 H42 T63 D68T25-R30 VanDerWaalsContact O-CD 3.3Å; T25-R30 WeakPolarHBondContact O-CD 3.32Å; T25-R30 WeakPolarHBondContact O-CG 3.44Å; T25-R30 PolarHBondContact O-NH1 2.64Å; K26-R30 VanDerWaalsContact C-NH1 3.31Å; K26-R30 WeakPolarHBondContact O-CG 3.44Å; K26-R30 PolarHBondContact O-N 2.8Å; L27-R30 PolarHBondContact O-N 2.72Å; L27-R30 VanDerWaalsContact O-N 3.16Å; R30-L33 PolarHBondContact O-N 2.96Å; R30-R34 WeakPolarHBondContact O-CG 3.46Å; R30-R34 PolarHBondContact O-N 3.29Å; R30-R34 VanDerWaalsContact O-N 3.09Å; R30-V41 HydrophobicContact CB-CB 4.23Å; R30-V41 HydrophobicContact CB-CG2 3.98Å; R30-V41 HydrophobicContact CG-CB 4.21Å; R30-V41 HydrophobicContact CG-CG2 4.18Å; R30-H42 VanDerWaalsContact CD-O 3.26Å; R30-H42 WeakPolarHBondContact CD-O 3.49Å; R30-T63 PolarHBondContact NH2-O 2.95Å; R30-D68 IonicContact CZ-OD2 2.88Å; R30-D68 IonicContact NE-OD1 3.72Å; R30-D68 PolarHBondContact NE-OD1 3.36Å; R30-D68 IonicContact NE-OD2 3.55Å; R30-D68 PolarHBondContact NE-OD2 3.47Å; R30-D68 IonicContact NH2-OD2 2.91Å; R30-D68 PolarHBondContact NH2-OD2 3.3Å
31L97.3Very high95.7Very high11 Ų1123.7 Ų23.76%0.05811%0.11CC..Hα-helixtrans-63.9-43.9175.4-66.8176.8000111.8L27 P28 F29 L33 R34 Q35 N67 D68 L315 Y319L27-L31 HydrophobicContact CD1-CD1 3.89Å; L27-L31 HydrophobicContact CD1-CD2 4.2Å; L27-L31 HydrophobicContact CD1-CG 3.81Å; L27-L31 HydrophobicContact CG-CD1 4.09Å; L27-L31 HydrophobicContact CG-CG 4.41Å; L27-L31 WeakPolarHBondContact O-CG 3.49Å; L27-L31 PolarHBondContact O-N 2.85Å; P28-L31 PolarHBondContact O-N 2.84Å; F29-L31 VanDerWaalsContact C-N 3.29Å; F29-L31 PolarHBondContact O-N 2.99Å; L31-L33 PolarHBondContact O-N 3.31Å; L31-R34 WeakPolarHBondContact O-CB 3.34Å; L31-R34 PolarHBondContact O-N 2.89Å; L31-Q35 WeakPolarHBondContact O-CG 3.42Å; L31-Q35 PolarHBondContact O-N 3.41Å; L31-Q35 VanDerWaalsContact O-N 3.15Å; L31-N67 HydrophobicContact CD2-CB 4.19Å; L31-D68 HydrophobicContact CD2-CB 4.01Å; L31-L315 HydrophobicContact CB-CD1 4.04Å; L31-L315 HydrophobicContact CB-CD2 3.97Å; L31-L315 HydrophobicContact CD1-CD2 3.95Å; L31-Y319 HydrophobicContact CD1-CD2 3.62Å; L31-Y319 HydrophobicContact CD1-CE1 4.43Å; L31-Y319 HydrophobicContact CD1-CE2 3.34Å; L31-Y319 HydrophobicContact CD1-CG 4.28Å
32L96.8Very high95.8Very high0 Ų022.7 Ų22.70%011%0.106CC..Hα-helixtrans-57-49.4173.7-172.975000111.2P28 F29 R34 Q35 H36 P291 L308 D311 W312 L315 M335P28-L32 PolarHBondContact O-N 3.19Å; F29-L32 HydrophobicContact CD2-CB 4.46Å; F29-L32 HydrophobicContact CD2-CD2 4.06Å; F29-L32 HydrophobicContact CE2-CD2 4.27Å; F29-L32 WeakPolarHBondContact O-CB 3.34Å; F29-L32 PolarHBondContact O-N 3.47Å; L32-R34 PolarHBondContact O-N 3.3Å; L32-Q35 WeakPolarHBondContact O-CB 3.39Å; L32-Q35 PolarHBondContact O-N 3.49Å; L32-Q35 VanDerWaalsContact O-N 3.09Å; L32-H36 PolarHBondContact O-CD2 3.36Å; L32-H36 VanDerWaalsContact O-CD2 3.27Å; L32-H36 PolarHBondContact O-N 2.95Å; L32-P291 HydrophobicContact CD2-CB 3.77Å; L32-P291 HydrophobicContact CD2-CG 3.73Å; L32-P291 HydrophobicContact CG-CB 4.28Å; L32-L308 HydrophobicContact CD1-CD1 3.82Å; L32-L308 HydrophobicContact CD2-CD1 4.07Å; L32-L308 HydrophobicContact CG-CD1 4.08Å; L32-D311 HydrophobicContact CD1-CB 4.11Å; L32-W312 HydrophobicContact CD1-CB 4.1Å; L32-W312 HydrophobicContact CD2-CB 3.79Å; L32-W312 HydrophobicContact CD2-CG 4.08Å; L32-W312 HydrophobicContact CG-CB 4.48Å; L32-L315 HydrophobicContact CB-CD1 3.95Å; L32-L315 HydrophobicContact CD1-CD1 4.27Å; L32-M335 HydrophobicContact CD2-CE 4Å; L32-M335 HydrophobicContact CD2-SD 4.47Å
33L97.5Very high96.1Very high0 Ų019.1 Ų19.10%08%0.084CC..Hα-helixtrans-58.4-36.3179.5-70.8178.5000112.7F29 R30 L31 H36 V38 V41 L287 P291F29-L33 HydrophobicContact CD1-CD1 3.98Å; F29-L33 HydrophobicContact CD1-CG 4.46Å; F29-L33 HydrophobicContact CD2-CD1 4.5Å; F29-L33 HydrophobicContact CD2-CD2 4.5Å; F29-L33 HydrophobicContact CD2-CG 4.11Å; F29-L33 HydrophobicContact CE1-CD1 3.7Å; F29-L33 HydrophobicContact CE1-CD2 4.45Å; F29-L33 HydrophobicContact CE1-CG 4.22Å; F29-L33 HydrophobicContact CE2-CD1 4.27Å; F29-L33 HydrophobicContact CE2-CD2 3.79Å; F29-L33 HydrophobicContact CE2-CG 3.87Å; F29-L33 HydrophobicContact CG-CD1 4.37Å; F29-L33 HydrophobicContact CG-CG 4.41Å; F29-L33 HydrophobicContact CZ-CD1 3.86Å; F29-L33 HydrophobicContact CZ-CD2 3.76Å; F29-L33 HydrophobicContact CZ-CG 3.92Å; F29-L33 VanDerWaalsContact O-CG 3.25Å; F29-L33 WeakPolarHBondContact O-CG 3.33Å; F29-L33 PolarHBondContact O-N 3.34Å; R30-L33 PolarHBondContact O-N 2.96Å; L31-L33 PolarHBondContact O-N 3.31Å; L33-H36 CarbonylContact O-C 3.36Å; L33-H36 VanDerWaalsContact O-C 3.29Å; L33-H36 PolarHBondContact O-N 2.89Å; L33-V38 HydrophobicContact CB-CB 4Å; L33-V38 HydrophobicContact CB-CG2 3.78Å; L33-V38 HydrophobicContact CD2-CG2 4.18Å; L33-V38 HydrophobicContact CG-CG2 4.46Å; L33-V38 VanDerWaalsContact O-CB 3.28Å; L33-V38 WeakPolarHBondContact O-CB 3.32Å; L33-V38 WeakPolarHBondContact O-CG2 3.39Å; L33-V38 PolarHBondContact O-N 3.35Å; L33-V41 HydrophobicContact CB-CG1 4.4Å; L33-L287 HydrophobicContact CD1-CD1 4.29Å; L33-L287 HydrophobicContact CD2-CB 4.04Å; L33-L287 HydrophobicContact CD2-CD1 4.17Å; L33-L287 HydrophobicContact CD2-CD2 4Å; L33-L287 HydrophobicContact CD2-CG 4.29Å; L33-P291 HydrophobicContact CD2-CB 4.02Å
34R96.3Very high96.4Very high34 Ų3413.1 Ų13.113%0.1286%0.061CC..Hα-helixtrans-66.5-40.5175.5-71.8-175.8-176.9-66.810.7113.1R30 L31 L32 H36 N37 D39 V41 N67 D68 R69 P70R30-R34 WeakPolarHBondContact O-CG 3.46Å; R30-R34 PolarHBondContact O-N 3.29Å; R30-R34 VanDerWaalsContact O-N 3.09Å; L31-R34 WeakPolarHBondContact O-CB 3.34Å; L31-R34 PolarHBondContact O-N 2.89Å; L32-R34 PolarHBondContact O-N 3.3Å; R34-H36 PolarHBondContact O-N 3.26Å; R34-N37 PolarHBondContact O-N 2.93Å; R34-D39 PolarHBondContact NH1-O 3.1Å; R34-D39 VanDerWaalsContact NH1-O 3.09Å; R34-V41 HydrophobicContact CG-CG1 4.01Å; R34-V41 VanDerWaalsContact CZ-CG2 3.47Å; R34-N67 WeakPolarHBondContact CD-O 3.39Å; R34-D68 VanDerWaalsContact NE-C 3.33Å; R34-D68 IonicContact NE-OD1 3.34Å; R34-D68 PolarHBondContact NH2-O 2.97Å; R34-D68 IonicContact NH2-OD1 2.64Å; R34-R69 VanDerWaalsContact CZ-O 3.3Å; R34-R69 PolarHBondContact NH1-O 2.87Å; R34-R69 VanDerWaalsContact NH2-CA 3.27Å; R34-P70 PolarHBondContact NH2-O 3.35Å
35Q95.1Very high96.6Very high106 Ų10612.8 Ų12.850%0.4956%0.061SC..Hα-helixtrans-59.7-27173.9-66.8168.5-3600111.1L31 L32L31-Q35 WeakPolarHBondContact O-CG 3.42Å; L31-Q35 PolarHBondContact O-N 3.41Å; L31-Q35 VanDerWaalsContact O-N 3.15Å; L32-Q35 WeakPolarHBondContact O-CB 3.39Å; L32-Q35 PolarHBondContact O-N 3.49Å; L32-Q35 VanDerWaalsContact O-N 3.09Å
36H95.1Very high96.7Very high23 Ų2312.9 Ų12.911%0.1066%0.061CC..THydrogen-bonded Turntrans-104.738.4-178.6-75-68.1000114.3L32 L33 R34 V38 P291 T295 Y298 L308L32-H36 PolarHBondContact O-CD2 3.36Å; L32-H36 VanDerWaalsContact O-CD2 3.27Å; L32-H36 PolarHBondContact O-N 2.95Å; L33-H36 CarbonylContact O-C 3.36Å; L33-H36 VanDerWaalsContact O-C 3.29Å; L33-H36 PolarHBondContact O-N 2.89Å; R34-H36 PolarHBondContact O-N 3.26Å; H36-V38 VanDerWaalsContact C-N 3.31Å; H36-V38 PolarHBondContact O-N 3.31Å; H36-P291 WeakPolarHBondContact CB-O 3.09Å; H36-T295 PolarHBondContact O-OG1 2.9Å; H36-Y298 AromaticContact CE1-CE2 4Å; H36-L308 VanDerWaalsContact CD2-CD1 3.45Å; H36-L308 WeakPolarHBondContact CD2-CD1 3.49Å; H36-L308 WeakPolarHBondContact NE2-CD1 3.29Å
37N94.6Very high96.8Very high44 Ų4415 Ų1524%0.2357%0.073CC..THydrogen-bonded Turntrans6613.9172.9-73.4-28.4000116.8R16 R34 D39R16-N37 WeakPolarHBondContact CD-O 3.48Å; R34-N37 PolarHBondContact O-N 2.93Å; N37-D39 PolarHBondContact O-N 2.68Å
38V97.3Very high96.9Very high2 Ų214.8 Ų14.81%0.0127%0.072CC..  trans-71.5121.6166.2-177.20000110.2L33 H36 L40 V41 L287 F294L33-V38 HydrophobicContact CB-CB 4Å; L33-V38 HydrophobicContact CB-CG2 3.78Å; L33-V38 HydrophobicContact CD2-CG2 4.18Å; L33-V38 HydrophobicContact CG-CG2 4.46Å; L33-V38 VanDerWaalsContact O-CB 3.28Å; L33-V38 WeakPolarHBondContact O-CB 3.32Å; L33-V38 WeakPolarHBondContact O-CG2 3.39Å; L33-V38 PolarHBondContact O-N 3.35Å; H36-V38 VanDerWaalsContact C-N 3.31Å; H36-V38 PolarHBondContact O-N 3.31Å; V38-L40 WeakPolarHBondContact CG1-O 3.47Å; V38-V41 HydrophobicContact CB-CG1 4.32Å; V38-V41 HydrophobicContact CG1-CG1 3.76Å; V38-L287 HydrophobicContact CG2-CD1 4.47Å; V38-L287 HydrophobicContact CG2-CD2 4.49Å; V38-F294 HydrophobicContact CG2-CD2 3.93Å
39D97.1Very high97Very high8 Ų817.3 Ų17.34%0.0439%0.085CC..SBendtrans-78.7-46.9-175.7-55.8-44.8000111.5Y7 K9 V15 R16 R34 N37 P70Y7-D39 VanDerWaalsContact O-CB 3.32Å; Y7-D39 WeakPolarHBondContact O-CB 3.38Å; K9-D39 VanDerWaalsContact CD-OD1 3.26Å; K9-D39 WeakPolarHBondContact CD-OD1 3.18Å; K9-D39 WeakPolarHBondContact CE-OD1 3.48Å; K9-D39 WeakPolarHBondContact CG-OD1 3.33Å; K9-D39 IonicContact NZ-OD1 3.79Å; K9-D39 PolarHBondContact NZ-OD1 2.96Å; V15-D39 HydrophobicContact CG1-CB 4.01Å; R16-D39 WeakPolarHBondContact CB-OD2 3.4Å; R16-D39 WeakPolarHBondContact CD-OD2 3.33Å; R16-D39 WeakPolarHBondContact CG-OD2 3.39Å; R16-D39 IonicContact CZ-OD1 2.8Å; R16-D39 IonicContact CZ-OD2 2.68Å; R16-D39 PolarHBondContact N-OD2 2.74Å; R16-D39 IonicContact NE-OD2 3.32Å; R16-D39 IonicContact NH1-OD1 3.33Å; R16-D39 PolarHBondContact NH1-OD1 3.03Å; R16-D39 IonicContact NH1-OD2 3.2Å; R16-D39 PolarHBondContact NH1-OD2 2.95Å; R16-D39 PolarHBondContact O-N 3.19Å; R34-D39 PolarHBondContact NH1-O 3.1Å; R34-D39 VanDerWaalsContact NH1-O 3.09Å; N37-D39 PolarHBondContact O-N 2.68Å; D39-P70 WeakPolarHBondContact O-CD 3.21Å; D39-P70 WeakPolarHBondContact O-CG 2.95Å
40L97.2Very high97Very high0 Ų019.6 Ų19.60%010%0.101CC..BIsolated β-bridgetrans-121.2124.4-177.6-165.470.9000110.1Y7 V15 R16 I17 S18 V38 P70 I72 W217Y7-L40 HydrophobicContact CD1-CD1 4.37Å; Y7-L40 HydrophobicContact CD2-CD1 3.91Å; Y7-L40 HydrophobicContact CD2-CD2 4.32Å; Y7-L40 HydrophobicContact CE1-CD1 4.47Å; Y7-L40 HydrophobicContact CE2-CD1 4.03Å; Y7-L40 HydrophobicContact CG-CD1 4.09Å; V15-L40 HydrophobicContact CG1-CB 4.44Å; R16-L40 PolarHBondContact O-N 3.15Å; R16-L40 VanDerWaalsContact O-N 3.13Å; I17-L40 CarbonylContact C-O 3.58Å; I17-L40 VanDerWaalsContact CA-O 3.31Å; I17-L40 WeakPolarHBondContact CA-O 3.45Å; I17-L40 HydrophobicContact CD1-CD2 4.18Å; I17-L40 HydrophobicContact CG1-CB 4.09Å; I17-L40 HydrophobicContact CG1-CD2 4.4Å; I17-L40 HydrophobicContact CG2-CB 4.25Å; I17-L40 HydrophobicContact CG2-CD2 4.28Å; S18-L40 PolarHBondContact N-O 3.17Å; V38-L40 WeakPolarHBondContact CG1-O 3.47Å; L40-P70 HydrophobicContact CD1-CB 3.88Å; L40-P70 HydrophobicContact CD1-CG 3.76Å; L40-I72 HydrophobicContact CD1-CD1 4Å; L40-I72 HydrophobicContact CD1-CG1 3.6Å; L40-I72 HydrophobicContact CD2-CG1 3.83Å; L40-I72 HydrophobicContact CG-CG1 3.74Å; L40-W217 HydrophobicContact CD2-CH2 4.4Å; L40-W217 HydrophobicContact CD2-CZ2 3.96Å
41V97.9Very high97Very high0 Ų019.8 Ų19.80%010%0.102CC..EExtended strand (participates in β ladder)trans-113.9143179.2-56.10000111S18 R30 L33 R34 V38 L71 I72S18-V41 VanDerWaalsContact OG-CA 3.27Å; S18-V41 WeakPolarHBondContact OG-CA 3.45Å; S18-V41 WeakPolarHBondContact OG-CB 3.42Å; R30-V41 HydrophobicContact CB-CB 4.23Å; R30-V41 HydrophobicContact CB-CG2 3.98Å; R30-V41 HydrophobicContact CG-CB 4.21Å; R30-V41 HydrophobicContact CG-CG2 4.18Å; L33-V41 HydrophobicContact CB-CG1 4.4Å; R34-V41 HydrophobicContact CG-CG1 4.01Å; R34-V41 VanDerWaalsContact CZ-CG2 3.47Å; V38-V41 HydrophobicContact CB-CG1 4.32Å; V38-V41 HydrophobicContact CG1-CG1 3.76Å; V41-L71 HydrophobicContact CG2-CD1 3.88Å; V41-I72 PolarHBondContact O-N 3.46Å
42H98.5Very high97Very high0 Ų021.5 Ų21.50%011%0.111CC..EExtended strand (participates in β ladder)trans-103.4146.5172.8-70.171.1000111.4S18 P20 T25 R30 I72S18-H42 PolarHBondContact O-ND1 3.04Å; S18-H42 PolarHBondContact OG-N 3.22Å; P20-H42 HydrophobicContact CB-CB 3.84Å; P20-H42 HydrophobicContact CG-CB 4.15Å; T25-H42 WeakPolarHBondContact CB-O 3.39Å; T25-H42 PolarHBondContact OG1-O 3.46Å; R30-H42 VanDerWaalsContact CD-O 3.26Å; R30-H42 WeakPolarHBondContact CD-O 3.49Å; H42-I72 CarbonylContact C-O 3.56Å; H42-I72 VanDerWaalsContact CA-O 3.24Å; H42-I72 WeakPolarHBondContact CA-O 3.5Å; H42-I72 WeakPolarHBondContact NE2-CG2 3.43Å
43T98.1Very high97Very high0 Ų028.5 Ų28.50%014%0.144CC..  trans-64.1174163.962.40000111.2P20 T25 F62 L71 I72 V73 Q74P20-T43 VanDerWaalsContact CA-O 3.29Å; P20-T43 WeakPolarHBondContact CA-O 3.28Å; P20-T43 WeakPolarHBondContact CB-O 3.48Å; T25-T43 PolarHBondContact OG1-O 3.19Å; T25-T43 VanDerWaalsContact OG1-O 3.04Å; T43-F62 HydrophobicContact CG2-CD2 4.1Å; T43-F62 HydrophobicContact CG2-CE2 4.18Å; T43-L71 HydrophobicContact CG2-CD1 3.96Å; T43-L71 HydrophobicContact CG2-CD2 4.42Å; T43-L71 HydrophobicContact CG2-CG 4.4Å; T43-I72 PolarHBondContact N-O 3.48Å; T43-V73 HydrophobicContact CG2-CB 4.21Å; T43-V73 HydrophobicContact CG2-CG1 4.12Å; T43-V73 HydrophobicContact CG2-CG2 3.84Å; T43-V73 WeakPolarHBondContact OG1-CA 3.47Å; T43-Q74 PolarHBondContact OG1-N 3.39Å
44P96.6Very high97Very high1 Ų130.7 Ų30.71%0.00616%0.159CC..PPolyproline II helixtrans-61164.4160.4-17.535.3000109.3T25 K26 I46T25-P44 WeakPolarHBondContact O-CD 3.36Å; T25-P44 WeakPolarHBondContact OG1-CA 3.17Å; T25-P44 VanDerWaalsContact OG1-N 3.08Å; K26-P44 HydrophobicContact CD-CG 3.88Å; K26-P44 HydrophobicContact CG-CG 4.15Å; P44-I46 WeakPolarHBondContact O-CG1 3.38Å; P44-I46 PolarHBondContact O-N 3.24Å
45M97.4Very high96.9Very high16 Ų1635 Ų358%0.07918%0.18CC..PPolyproline II helixtrans-66117.4170.9-176.4-172.575.600109.2V22 A76 N100 C103 W107V22-M45 HydrophobicContact CG2-CB 3.95Å; V22-M45 HydrophobicContact CG2-CE 4.27Å; M45-A76 HydrophobicContact CE-CB 4.46Å; M45-A76 HydrophobicContact CG-CB 3.82Å; M45-A76 HydrophobicContact SD-CB 3.85Å; M45-N100 HydrophobicContact CG-CB 4.22Å; M45-N100 HydrophobicContact SD-CB 4.14Å; M45-N100 PolarHBondContact SD-ND2 2.65Å; M45-N100 VanDerWaalsContact SD-ND2 3.41Å; M45-C103 HydrophobicContact SD-CB 4.16Å; M45-W107 HydrophobicContact CE-CH2 3.45Å; M45-W107 VanDerWaalsContact CE-CH2 3.45Å; M45-W107 HydrophobicContact CE-CZ2 3.61Å
46I97.4Very high96.8Very high2 Ų237.3 Ų37.31%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-102.7134.2179.3-57.8-177.4000108.9P44 A48 F51 E61 F62 V73 Q74 L75 A76P44-I46 WeakPolarHBondContact O-CG1 3.38Å; P44-I46 PolarHBondContact O-N 3.24Å; I46-A48 PolarHBondContact O-N 2.83Å; I46-F51 HydrophobicContact CG2-CB 3.98Å; I46-F51 HydrophobicContact CG2-CD2 3.77Å; I46-F51 HydrophobicContact CG2-CG 4.22Å; I46-E61 HydrophobicContact CD1-CB 4.18Å; I46-E61 HydrophobicContact CG1-CB 4.14Å; I46-E61 HydrophobicContact CG2-CB 4.1Å; I46-F62 HydrophobicContact CD1-CB 3.91Å; I46-F62 HydrophobicContact CD1-CD2 4.28Å; I46-V73 HydrophobicContact CD1-CG1 3.9Å; I46-Q74 PolarHBondContact N-O 2.96Å; I46-L75 HydrophobicContact CB-CD2 4.09Å; I46-L75 HydrophobicContact CG2-CD2 4.2Å; I46-L75 CarbonylContact O-C 3.58Å; I46-L75 VanDerWaalsContact O-CA 3.32Å; I46-L75 WeakPolarHBondContact O-CA 3.26Å; I46-A76 PolarHBondContact O-N 3.43Å
47L97.9Very high96.6Very high56 Ų5637.5 Ų37.529%0.29319%0.194SC..EExtended strand (participates in β ladder)trans-75.4118173.2-62.7-178.6000109.5N49 S50 F51 A76 W107 L113L47-N49 PolarHBondContact O-N 3.01Å; L47-S50 PolarHBondContact O-N 3.26Å; L47-F51 WeakPolarHBondContact O-CB 3.42Å; L47-F51 PolarHBondContact O-N 3.21Å; L47-A76 HydrophobicContact CD2-CB 4.02Å; L47-W107 HydrophobicContact CD2-CH2 4Å; L47-W107 HydrophobicContact CD2-CZ3 4.07Å; L47-L113 HydrophobicContact CD2-CD1 3.79Å
48A98.1Very high96.6Very high0 Ų037.7 Ų37.70%019%0.192CC..Hα-helixtrans-58.7-47.4-176.300000111.6I46 S50 F51 I52 L75 A76 A86I46-A48 PolarHBondContact O-N 2.83Å; A48-S50 PolarHBondContact O-N 3.15Å; A48-F51 WeakPolarHBondContact O-CB 3.33Å; A48-F51 PolarHBondContact O-N 3.09Å; A48-F51 VanDerWaalsContact O-N 3.15Å; A48-I52 VanDerWaalsContact O-CG1 3.3Å; A48-I52 WeakPolarHBondContact O-CG1 3.45Å; A48-I52 PolarHBondContact O-N 3.31Å; A48-L75 HydrophobicContact CB-CD2 4.42Å; A48-A76 PolarHBondContact N-O 3.38Å; A48-A86 HydrophobicContact CB-CB 3.88Å
49N97.4Very high96.3Very high58 Ų5841.9 Ų41.931%0.3121%0.214SC..Hα-helixtrans-56.6-49.2178.5-170.818.7000112.5L47 F51 I52 Q53L47-N49 PolarHBondContact O-N 3.01Å; N49-F51 VanDerWaalsContact C-N 3.3Å; N49-F51 PolarHBondContact O-N 3.29Å; N49-I52 PolarHBondContact O-N 3.47Å; N49-Q53 WeakPolarHBondContact O-CG 3.37Å; N49-Q53 PolarHBondContact O-N 3.18Å; N49-Q53 WeakPolarHBondContact OD1-CG 3.29Å; N49-Q53 PolarHBondContact OD1-NE2 3.13Å
50S97Very high96Very high49 Ų4944.9 Ų44.934%0.34323%0.229SC..Hα-helixtrans-63.2-36.5178.1-550000112.6L47 A48 S54L47-S50 PolarHBondContact O-N 3.26Å; A48-S50 PolarHBondContact O-N 3.15Å; S50-S54 PolarHBondContact O-N 3Å; S50-S54 VanDerWaalsContact O-N 3.11Å
51F97.1Very high95.7Very high5 Ų548.2 Ų48.22%0.02225%0.245CC..Hα-helixtrans-65.2-38.2178.3-171.9-89.3000112.7I46 L47 A48 N49 R58 F62 M89 L90I46-F51 HydrophobicContact CG2-CB 3.98Å; I46-F51 HydrophobicContact CG2-CD2 3.77Å; I46-F51 HydrophobicContact CG2-CG 4.22Å; L47-F51 WeakPolarHBondContact O-CB 3.42Å; L47-F51 PolarHBondContact O-N 3.21Å; A48-F51 WeakPolarHBondContact O-CB 3.33Å; A48-F51 PolarHBondContact O-N 3.09Å; A48-F51 VanDerWaalsContact O-N 3.15Å; N49-F51 VanDerWaalsContact C-N 3.3Å; N49-F51 PolarHBondContact O-N 3.29Å; F51-R58 HydrophobicContact CD2-CB 3.97Å; F51-R58 HydrophobicContact CD2-CG 4.01Å; F51-R58 HydrophobicContact CE1-CG 4.22Å; F51-R58 HydrophobicContact CE2-CB 3.93Å; F51-R58 HydrophobicContact CE2-CG 3.44Å; F51-R58 VanDerWaalsContact CE2-CG 3.44Å; F51-R58 HydrophobicContact CG-CB 4.47Å; F51-R58 HydrophobicContact CZ-CB 4.36Å; F51-R58 VanDerWaalsContact CZ-CD 3.49Å; F51-R58 HydrophobicContact CZ-CG 3.55Å; F51-R58 PolarHBondContact O-NH1 2.87Å; F51-F62 HydrophobicContact CE2-CB 3.7Å; F51-F62 HydrophobicContact CE2-CG 4.28Å; F51-M89 HydrophobicContact CD1-SD 4.49Å; F51-M89 HydrophobicContact CE1-CB 4.05Å; F51-M89 HydrophobicContact CE1-CE 4.32Å; F51-L90 HydrophobicContact CE1-CD1 4.24Å; F51-L90 HydrophobicContact CE1-CD2 3.97Å; F51-L90 HydrophobicContact CE1-CG 3.74Å; F51-L90 HydrophobicContact CE2-CD2 3.92Å; F51-L90 HydrophobicContact CE2-CG 4.45Å; F51-L90 HydrophobicContact CZ-CD1 4.28Å; F51-L90 HydrophobicContact CZ-CD2 3.34Å; F51-L90 HydrophobicContact CZ-CG 3.68Å
52I97.4Very high95.6Very high47 Ų4749.3 Ų49.324%0.24125%0.249CC..Hα-helixtrans-70.4-52.3177-65.7163.5000110.3A48 N49 S54 E82 I85 A86 M89A48-I52 VanDerWaalsContact O-CG1 3.3Å; A48-I52 WeakPolarHBondContact O-CG1 3.45Å; A48-I52 PolarHBondContact O-N 3.31Å; N49-I52 PolarHBondContact O-N 3.47Å; I52-S54 PolarHBondContact O-N 3.43Å; I52-E82 HydrophobicContact CD1-CB 4.21Å; I52-E82 VanDerWaalsContact CD1-O 3.29Å; I52-E82 WeakPolarHBondContact CD1-O 3.4Å; I52-I85 HydrophobicContact CD1-CB 3.94Å; I52-I85 HydrophobicContact CD1-CG2 3.89Å; I52-I85 HydrophobicContact CG1-CB 4.49Å; I52-I85 HydrophobicContact CG1-CG2 3.93Å; I52-I85 HydrophobicContact CG2-CG2 4.19Å; I52-A86 HydrophobicContact CD1-CB 4.12Å; I52-A86 HydrophobicContact CG1-CB 4.15Å; I52-M89 HydrophobicContact CB-SD 4.5Å; I52-M89 HydrophobicContact CG1-SD 4.04Å
53Q97.3Very high95.4Very high148 Ų14850.6 Ų50.669%0.69226%0.257SS*.Hα-helixtrans-75.3-25.5-169.3-66.5-173.32.400114.3N49N49-Q53 WeakPolarHBondContact O-CG 3.37Å; N49-Q53 PolarHBondContact O-N 3.18Å; N49-Q53 WeakPolarHBondContact OD1-CG 3.29Å; N49-Q53 PolarHBondContact OD1-NE2 3.13Å
54S96.5Very high95.3Very high46 Ų4651.7 Ų51.732%0.32226%0.264SS..  trans-131.7113.7-170.2-176.50000112.5S50 I52 K56 A57 R58S50-S54 PolarHBondContact O-N 3Å; S50-S54 VanDerWaalsContact O-N 3.11Å; I52-S54 PolarHBondContact O-N 3.43Å; S54-K56 VanDerWaalsContact C-N 3.25Å; S54-K56 PolarHBondContact O-N 2.89Å; S54-K56 PolarHBondContact OG-N 3.11Å; S54-A57 PolarHBondContact O-N 3.48Å; S54-A57 PolarHBondContact OG-N 3.35Å; S54-R58 PolarHBondContact O-N 2.81Å
55E94.3Very high95.1Very high123 Ų12352 Ų5258%0.57527%0.266SS*.Hα-helixtrans-57.1-40.8169.6-179.9172.5-174.700112.5A57 R58 N59E55-A57 PolarHBondContact O-N 2.77Å; E55-R58 VanDerWaalsContact CA-NH2 3.33Å; E55-R58 VanDerWaalsContact CB-NH2 3.25Å; E55-R58 WeakPolarHBondContact O-CB 3.28Å; E55-R58 PolarHBondContact O-N 2.72Å; E55-N59 WeakPolarHBondContact O-CB 3.3Å; E55-N59 VanDerWaalsContact O-CG 3.29Å; E55-N59 PolarHBondContact O-N 3.22Å
56K92.3Very high94.9Very high156 Ų15654.5 Ų54.568%0.67828%0.284SS*.Hα-helixtrans-60-46175.9-175.4179179.5179.70111.4S54 R58 N59 I60S54-K56 VanDerWaalsContact C-N 3.25Å; S54-K56 PolarHBondContact O-N 2.89Å; S54-K56 PolarHBondContact OG-N 3.11Å; K56-R58 VanDerWaalsContact C-N 3.35Å; K56-N59 PolarHBondContact O-N 3Å; K56-I60 HydrophobicContact CG-CD1 3.98Å; K56-I60 WeakPolarHBondContact O-CD1 3.34Å; K56-I60 VanDerWaalsContact O-CG1 3.3Å; K56-I60 WeakPolarHBondContact O-CG1 3.5Å; K56-I60 PolarHBondContact O-N 3.01Å
57A91.6Very high94.7Very high26 Ų2660 Ų6022%0.21531%0.313CS..Hα-helixtrans-63.2-43.217700000111.1S54 E55 N59 I60 E61S54-A57 PolarHBondContact O-N 3.48Å; S54-A57 PolarHBondContact OG-N 3.35Å; E55-A57 PolarHBondContact O-N 2.77Å; A57-N59 PolarHBondContact O-N 3.12Å; A57-I60 PolarHBondContact O-N 2.95Å; A57-E61 WeakPolarHBondContact O-CB 3.29Å; A57-E61 WeakPolarHBondContact O-CG 3.46Å; A57-E61 PolarHBondContact O-N 3.25Å
58R93.8Very high94.6Very high49 Ų4957.3 Ų57.319%0.18530%0.299CS..Hα-helixtrans-57.8-47.9176171.2166.867.5-103.23.6112.7F51 S54 E55 K56 I60 E61 F62F51-R58 HydrophobicContact CD2-CB 3.97Å; F51-R58 HydrophobicContact CD2-CG 4.01Å; F51-R58 HydrophobicContact CE1-CG 4.22Å; F51-R58 HydrophobicContact CE2-CB 3.93Å; F51-R58 HydrophobicContact CE2-CG 3.44Å; F51-R58 VanDerWaalsContact CE2-CG 3.44Å; F51-R58 HydrophobicContact CG-CB 4.47Å; F51-R58 HydrophobicContact CZ-CB 4.36Å; F51-R58 VanDerWaalsContact CZ-CD 3.49Å; F51-R58 HydrophobicContact CZ-CG 3.55Å; F51-R58 PolarHBondContact O-NH1 2.87Å; S54-R58 PolarHBondContact O-N 2.81Å; E55-R58 VanDerWaalsContact CA-NH2 3.33Å; E55-R58 VanDerWaalsContact CB-NH2 3.25Å; E55-R58 WeakPolarHBondContact O-CB 3.28Å; E55-R58 PolarHBondContact O-N 2.72Å; K56-R58 VanDerWaalsContact C-N 3.35Å; R58-I60 VanDerWaalsContact C-N 3.26Å; R58-I60 PolarHBondContact O-N 3.39Å; R58-E61 PolarHBondContact O-N 3.36Å; R58-F62 PolarHBondContact O-N 2.91Å
59N91.2Very high94.4Very high89 Ų8960.1 Ų60.148%0.47631%0.31SS..Hα-helixtrans-67.3-24.9-179.4-68.9-14.7000113.1E55 K56 A57E55-N59 WeakPolarHBondContact O-CB 3.3Å; E55-N59 VanDerWaalsContact O-CG 3.29Å; E55-N59 PolarHBondContact O-N 3.22Å; K56-N59 PolarHBondContact O-N 3Å; A57-N59 PolarHBondContact O-N 3.12Å
60I90.8Very high94.3Very high71 Ų7158.8 Ų58.836%0.36430%0.304SS..Hα-helixtrans-85.4-41175.4-67.8167.8000111.2K26 K56 A57 R58 G322K26-I60 PolarHBondContact NZ-O 3.25Å; K56-I60 HydrophobicContact CG-CD1 3.98Å; K56-I60 WeakPolarHBondContact O-CD1 3.34Å; K56-I60 VanDerWaalsContact O-CG1 3.3Å; K56-I60 WeakPolarHBondContact O-CG1 3.5Å; K56-I60 PolarHBondContact O-N 3.01Å; A57-I60 PolarHBondContact O-N 2.95Å; R58-I60 VanDerWaalsContact C-N 3.26Å; R58-I60 PolarHBondContact O-N 3.39Å; I60-G322 WeakPolarHBondContact O-CA 3.41Å
61E91Very high94.3Very high71 Ų7156.4 Ų56.433%0.33229%0.288SS..Hα-helixtrans-81.3-35.2-171.8-68-55162.600113.6K26 I46 A57 R58K26-E61 PolarHBondContact NZ-O 3.46Å; K26-E61 VanDerWaalsContact NZ-O 3.15Å; K26-E61 IonicContact NZ-OE2 3.25Å; K26-E61 PolarHBondContact NZ-OE2 3.14Å; I46-E61 HydrophobicContact CD1-CB 4.18Å; I46-E61 HydrophobicContact CG1-CB 4.14Å; I46-E61 HydrophobicContact CG2-CB 4.1Å; A57-E61 WeakPolarHBondContact O-CB 3.29Å; A57-E61 WeakPolarHBondContact O-CG 3.46Å; A57-E61 PolarHBondContact O-N 3.25Å; R58-E61 PolarHBondContact O-N 3.36Å
62F95Very high94.3Very high22 Ų2256.2 Ų56.210%0.09629%0.287CS..  trans-125.6120-174.5-177.5-105.5000112.3T43 I46 F51 R58 T64 L71 V73 L90 Y93T43-F62 HydrophobicContact CG2-CD2 4.1Å; T43-F62 HydrophobicContact CG2-CE2 4.18Å; I46-F62 HydrophobicContact CD1-CB 3.91Å; I46-F62 HydrophobicContact CD1-CD2 4.28Å; F51-F62 HydrophobicContact CE2-CB 3.7Å; F51-F62 HydrophobicContact CE2-CG 4.28Å; R58-F62 PolarHBondContact O-N 2.91Å; F62-T64 HydrophobicContact CE1-CG2 4.06Å; F62-T64 HydrophobicContact CZ-CG2 3.84Å; F62-L71 HydrophobicContact CE2-CD2 3.83Å; F62-L71 HydrophobicContact CZ-CD2 4.19Å; F62-V73 HydrophobicContact CD2-CG1 4.47Å; F62-V73 HydrophobicContact CD2-CG2 4.12Å; F62-V73 HydrophobicContact CE2-CG2 3.53Å; F62-V73 HydrophobicContact CZ-CG2 4.35Å; F62-L90 HydrophobicContact CD1-CD2 3.95Å; F62-L90 HydrophobicContact CD2-CD2 4.03Å; F62-L90 HydrophobicContact CE1-CD2 3.96Å; F62-L90 HydrophobicContact CE2-CD2 4.05Å; F62-L90 HydrophobicContact CG-CD2 3.99Å; F62-L90 HydrophobicContact CZ-CD2 4.01Å; F62-Y93 HydrophobicContact CE1-CG 4.22Å
63T94.8Very high94.4Very high27 Ų2754 Ų5417%0.16628%0.275CS..  trans-136.6146.7168550000108.3L27 R30 G321L27-T63 WeakPolarHBondContact CB-OG1 3.27Å; R30-T63 PolarHBondContact NH2-O 2.95Å; T63-G321 WeakPolarHBondContact CG2-O 3.47Å; T63-G321 PolarHBondContact OG1-O 2.92Å
64T95.5Very high94.5Very high23 Ų2347 Ų4714%0.14124%0.243CC..  trans-150.5173.8178.2-166.70000111.2F62 D68 I168F62-T64 HydrophobicContact CE1-CG2 4.06Å; F62-T64 HydrophobicContact CZ-CG2 3.84Å; T64-D68 WeakPolarHBondContact OG1-CB 3.48Å; T64-D68 PolarHBondContact OG1-OD2 2.92Å; T64-I168 HydrophobicContact CG2-CG2 3.74Å
65C93.9Very high94.6Very high8 Ų844.8 Ų44.85%0.05423%0.227CC..  trans-150.7169.7173.776.10000110.3L27 N67 D68 Y319L27-C65 HydrophobicContact CD2-CB 4.48Å; C65-N67 PolarHBondContact O-N 2.96Å; C65-N67 VanDerWaalsContact O-N 3.11Å; C65-D68 WeakPolarHBondContact O-CB 3.19Å; C65-D68 PolarHBondContact O-N 3.45Å; C65-Y319 HydrophobicContact CB-CE1 3.95Å
66P93.1Very high94.8Very high68 Ų6839.1 Ų39.144%0.44220%0.201SC..THydrogen-bonded Turntrans-56.5-30-177.9-2837.4000114.9D68 I168P66-D68 VanDerWaalsContact C-N 3.31Å; P66-D68 PolarHBondContact O-N 2.91Å; P66-I168 HydrophobicContact CG-CG1 4.08Å
67N93.6Very high95.1Very high118 Ų11831.8 Ų31.863%0.63117%0.17SC*.THydrogen-bonded Turntrans-82.5-6-179.8-64.12.1000113.5L31 R34 C65 R69L31-N67 HydrophobicContact CD2-CB 4.19Å; R34-N67 WeakPolarHBondContact CD-O 3.39Å; C65-N67 PolarHBondContact O-N 2.96Å; C65-N67 VanDerWaalsContact O-N 3.11Å; N67-R69 PolarHBondContact O-N 2.89Å
68D95.4Very high95.3Very high0 Ų032.9 Ų32.90%017%0.172CC..SBendtrans-88.432.7-176.2-17332000112.3L27 R30 L31 R34 T64 C65 P66 L71L27-D68 HydrophobicContact CD1-CB 3.77Å; L27-D68 WeakPolarHBondContact CD1-OD2 3.27Å; R30-D68 IonicContact CZ-OD2 2.88Å; R30-D68 IonicContact NE-OD1 3.72Å; R30-D68 PolarHBondContact NE-OD1 3.36Å; R30-D68 IonicContact NE-OD2 3.55Å; R30-D68 PolarHBondContact NE-OD2 3.47Å; R30-D68 IonicContact NH2-OD2 2.91Å; R30-D68 PolarHBondContact NH2-OD2 3.3Å; L31-D68 HydrophobicContact CD2-CB 4.01Å; R34-D68 VanDerWaalsContact NE-C 3.33Å; R34-D68 IonicContact NE-OD1 3.34Å; R34-D68 PolarHBondContact NH2-O 2.97Å; R34-D68 IonicContact NH2-OD1 2.64Å; T64-D68 WeakPolarHBondContact OG1-CB 3.48Å; T64-D68 PolarHBondContact OG1-OD2 2.92Å; C65-D68 WeakPolarHBondContact O-CB 3.19Å; C65-D68 PolarHBondContact O-N 3.45Å; P66-D68 VanDerWaalsContact C-N 3.31Å; P66-D68 PolarHBondContact O-N 2.91Å; D68-L71 WeakPolarHBondContact O-CB 3.37Å
69R94Very high95.6Very high59 Ų5933.3 Ų33.322%0.22318%0.178CC..  trans-119.9146.9-176-64.2-172.8175.6-88.95.9112.6R34 N67 P92 Y93 C94 D95 I168R34-R69 VanDerWaalsContact CZ-O 3.3Å; R34-R69 PolarHBondContact NH1-O 2.87Å; R34-R69 VanDerWaalsContact NH2-CA 3.27Å; N67-R69 PolarHBondContact O-N 2.89Å; R69-P92 PolarHBondContact NH2-O 3.27Å; R69-Y93 VanDerWaalsContact NH2-C 3.35Å; R69-Y93 PolarHBondContact NH2-O 2.82Å; R69-C94 PolarHBondContact NH1-O 3.1Å; R69-C94 VanDerWaalsContact NH1-O 3.1Å; R69-D95 WeakPolarHBondContact CG-OD2 3.32Å; R69-D95 IonicContact CZ-OD2 3.69Å; R69-D95 IonicContact NH1-OD1 3.93Å; R69-D95 IonicContact NH1-OD2 2.86Å; R69-D95 PolarHBondContact NH1-OD2 2.89Å; R69-I168 PolarHBondContact NH2-O 2.95Å
70P94.8Very high95.9Very high29 Ų2930.6 Ų30.619%0.18817%0.165CC..SBendcis-76.3123.92.430.3-36.6000114.1Y7 R34 D39 L40 D95Y7-P70 HydrophobicContact CD1-CB 3.69Å; Y7-P70 HydrophobicContact CD1-CG 3.54Å; Y7-P70 HydrophobicContact CE1-CB 3.42Å; Y7-P70 VanDerWaalsContact CE1-CB 3.42Å; Y7-P70 HydrophobicContact CE1-CG 3.86Å; Y7-P70 HydrophobicContact CG-CG 4.28Å; R34-P70 PolarHBondContact NH2-O 3.35Å; D39-P70 WeakPolarHBondContact O-CD 3.21Å; D39-P70 WeakPolarHBondContact O-CG 2.95Å; L40-P70 HydrophobicContact CD1-CB 3.88Å; L40-P70 HydrophobicContact CD1-CG 3.76Å; P70-D95 WeakPolarHBondContact CA-OD2 3.31Å; P70-D95 HydrophobicContact CB-CB 4.11Å
71L96.9Very high96.3Very high0 Ų031.2 Ų31.20%018%0.175CC..EExtended strand (participates in β ladder)trans-100.5129.7-176.8-175.457000111.8V41 T43 F62 D68 V73 C94 D95 G96V41-L71 HydrophobicContact CG2-CD1 3.88Å; T43-L71 HydrophobicContact CG2-CD1 3.96Å; T43-L71 HydrophobicContact CG2-CD2 4.42Å; T43-L71 HydrophobicContact CG2-CG 4.4Å; F62-L71 HydrophobicContact CE2-CD2 3.83Å; F62-L71 HydrophobicContact CZ-CD2 4.19Å; D68-L71 WeakPolarHBondContact O-CB 3.37Å; L71-V73 HydrophobicContact CD2-CG2 4.36Å; L71-V73 HydrophobicContact CG-CG2 4.33Å; L71-C94 HydrophobicContact CB-CB 4.17Å; L71-C94 HydrophobicContact CD2-CB 4.24Å; L71-C94 HydrophobicContact CG-CB 4.19Å; L71-D95 PolarHBondContact N-OD2 3.27Å; L71-D95 WeakPolarHBondContact O-CA 3.37Å; L71-D95 PolarHBondContact O-N 3.26Å; L71-G96 PolarHBondContact O-N 3.15Å
72I98Very high96.6Very high0 Ų030.2 Ų30.20%017%0.17CC..EExtended strand (participates in β ladder)trans-108125167.8-51.6-58.9000109.8L40 V41 H42 T43 G96 D98 W217L40-I72 HydrophobicContact CD1-CD1 4Å; L40-I72 HydrophobicContact CD1-CG1 3.6Å; L40-I72 HydrophobicContact CD2-CG1 3.83Å; L40-I72 HydrophobicContact CG-CG1 3.74Å; V41-I72 PolarHBondContact O-N 3.46Å; H42-I72 CarbonylContact C-O 3.56Å; H42-I72 VanDerWaalsContact CA-O 3.24Å; H42-I72 WeakPolarHBondContact CA-O 3.5Å; H42-I72 WeakPolarHBondContact NE2-CG2 3.43Å; T43-I72 PolarHBondContact N-O 3.48Å; I72-G96 WeakPolarHBondContact CA-O 3.48Å; I72-D98 HydrophobicContact CG2-CB 3.69Å; I72-W217 HydrophobicContact CD1-CH2 3.76Å; I72-W217 HydrophobicContact CD1-CZ2 3.89Å; I72-W217 HydrophobicContact CG1-CH2 4.38Å; I72-W217 HydrophobicContact CG1-CZ2 4.05Å
73V98.6Very high96.8Very high0 Ų029.2 Ų29.20%017%0.166CC..EExtended strand (participates in β ladder)trans-94.4117.2176.4-175.70000109.1T43 I46 F62 L71 L75 L90 C94 G96 I97 D98T43-V73 HydrophobicContact CG2-CB 4.21Å; T43-V73 HydrophobicContact CG2-CG1 4.12Å; T43-V73 HydrophobicContact CG2-CG2 3.84Å; T43-V73 WeakPolarHBondContact OG1-CA 3.47Å; I46-V73 HydrophobicContact CD1-CG1 3.9Å; F62-V73 HydrophobicContact CD2-CG1 4.47Å; F62-V73 HydrophobicContact CD2-CG2 4.12Å; F62-V73 HydrophobicContact CE2-CG2 3.53Å; F62-V73 HydrophobicContact CZ-CG2 4.35Å; L71-V73 HydrophobicContact CD2-CG2 4.36Å; L71-V73 HydrophobicContact CG-CG2 4.33Å; V73-L75 HydrophobicContact CG1-CD2 4.49Å; V73-L90 HydrophobicContact CB-CD1 4.18Å; V73-L90 HydrophobicContact CG1-CD1 3.64Å; V73-L90 HydrophobicContact CG1-CD2 4.29Å; V73-L90 HydrophobicContact CG2-CD2 4.32Å; V73-C94 HydrophobicContact CG2-CB 3.61Å; V73-G96 PolarHBondContact N-O 2.86Å; V73-I97 HydrophobicContact CB-CD1 3.83Å; V73-I97 CarbonylContact O-C 3.51Å; V73-I97 WeakPolarHBondContact O-CA 3.43Å; V73-D98 PolarHBondContact O-N 2.93Å
74Q98.8Very high96.9Very high2 Ų228.3 Ų28.31%0.00916%0.161CC..EExtended strand (participates in β ladder)trans-84.2121.5175.1-173.7177.775.700110.5P20 T43 I46 D98 N100P20-Q74 HydrophobicContact CB-CB 3.85Å; P20-Q74 HydrophobicContact CB-CG 4.29Å; P20-Q74 HydrophobicContact CG-CB 4.13Å; P20-Q74 HydrophobicContact CG-CG 4.21Å; T43-Q74 PolarHBondContact OG1-N 3.39Å; I46-Q74 PolarHBondContact N-O 2.96Å; Q74-D98 CarbonylContact C-O 3.55Å; Q74-D98 WeakPolarHBondContact CA-O 3.06Å; Q74-D98 HydrophobicContact CB-CB 4.29Å; Q74-D98 HydrophobicContact CG-CB 4.31Å; Q74-D98 WeakPolarHBondContact CG-OD2 3.4Å; Q74-D98 PolarHBondContact NE2-OD2 3.21Å; Q74-N100 VanDerWaalsContact CD-ND2 3.32Å; Q74-N100 HydrophobicContact CG-CB 3.96Å; Q74-N100 PolarHBondContact NE2-ND2 3.23Å; Q74-N100 PolarHBondContact OE1-ND2 3.22Å
75L98.7Very high97.1Very high0 Ų031 Ų310%017%0.174CC..EExtended strand (participates in β ladder)trans-106.9143.6174.7-68.9178.1000111I46 A48 V73 F83 A86 L90 I97 D98 N100I46-L75 HydrophobicContact CB-CD2 4.09Å; I46-L75 HydrophobicContact CG2-CD2 4.2Å; I46-L75 CarbonylContact O-C 3.58Å; I46-L75 VanDerWaalsContact O-CA 3.32Å; I46-L75 WeakPolarHBondContact O-CA 3.26Å; A48-L75 HydrophobicContact CB-CD2 4.42Å; V73-L75 HydrophobicContact CG1-CD2 4.49Å; L75-F83 HydrophobicContact CB-CD2 3.95Å; L75-F83 HydrophobicContact CB-CE2 3.56Å; L75-F83 HydrophobicContact CD1-CD2 4.19Å; L75-F83 HydrophobicContact CD1-CE2 4.11Å; L75-F83 HydrophobicContact CG-CE2 4.45Å; L75-A86 HydrophobicContact CD1-CB 3.65Å; L75-A86 HydrophobicContact CD2-CB 4.39Å; L75-L90 HydrophobicContact CD1-CD1 4.11Å; L75-L90 HydrophobicContact CD2-CD1 3.87Å; L75-L90 HydrophobicContact CG-CD1 4.22Å; L75-I97 HydrophobicContact CB-CG2 4.3Å; L75-I97 HydrophobicContact CD1-CD1 4.39Å; L75-I97 HydrophobicContact CD1-CG2 3.72Å; L75-I97 HydrophobicContact CG-CG2 4.02Å; L75-D98 PolarHBondContact N-O 3.04Å; L75-N100 PolarHBondContact O-N 2.67Å
76A98.5Very high97.3Very high3 Ų330.6 Ų30.63%0.02517%0.171CC..EExtended strand (participates in β ladder)trans-109.3121.1163.300000108.9M45 I46 L47 A48 N100 L113M45-A76 HydrophobicContact CE-CB 4.46Å; M45-A76 HydrophobicContact CG-CB 3.82Å; M45-A76 HydrophobicContact SD-CB 3.85Å; I46-A76 PolarHBondContact O-N 3.43Å; L47-A76 HydrophobicContact CD2-CB 4.02Å; A48-A76 PolarHBondContact N-O 3.38Å; A76-N100 HydrophobicContact CB-CB 4.37Å; A76-L113 HydrophobicContact CB-CD1 4.45Å
77S98.4Very high97.5Very high2 Ų227.4 Ų27.41%0.01415%0.15CC..  trans-151.6154.5172.2-176.40000108.9D79 E82 L113S77-D79 PolarHBondContact OG-N 2.72Å; S77-D79 VanDerWaalsContact OG-N 3.12Å; S77-D79 PolarHBondContact OG-O 3.26Å; S77-D79 VanDerWaalsContact OG-O 3.1Å; S77-E82 PolarHBondContact OG-OE2 2.87Å; S77-L113 VanDerWaalsContact C-CD2 3.44Å
78N97.7Very high97.6Very high49 Ų4926 Ų2626%0.26214%0.14SC..SBendtrans-118.58.9170.161.6-2000112.1S111 G112 L113 L117 K123N78-S111 PolarHBondContact ND2-O 3.38Å; N78-G112 WeakPolarHBondContact CB-O 3.41Å; N78-L113 HydrophobicContact CB-CD2 4.04Å; N78-L117 HydrophobicContact CB-CD2 3.86Å; N78-K123 HydrophobicContact CB-CD 4.48Å; N78-K123 WeakPolarHBondContact O-CD 3.36Å; N78-K123 VanDerWaalsContact O-CE 3.26Å; N78-K123 WeakPolarHBondContact O-CE 3.44Å
79D98.4Very high97.7Very high58 Ų5829 Ų2931%0.3116%0.155SC..  trans-121.3125.1-179.6179.769.3000110.5S77 C81 E82 F83S77-D79 PolarHBondContact OG-N 2.72Å; S77-D79 VanDerWaalsContact OG-N 3.12Å; S77-D79 PolarHBondContact OG-O 3.26Å; S77-D79 VanDerWaalsContact OG-O 3.1Å; D79-C81 VanDerWaalsContact C-N 3.33Å; D79-C81 PolarHBondContact O-N 3.35Å; D79-C81 WeakPolarHBondContact OD2-CA 3.4Å; D79-C81 VanDerWaalsContact OD2-CB 3.3Å; D79-C81 WeakPolarHBondContact OD2-CB 3.36Å; D79-C81 PolarHBondContact OD2-N 2.82Å; D79-E82 HydrophobicContact CB-CB 4.05Å; D79-E82 HydrophobicContact CB-CG 3.94Å; D79-E82 PolarHBondContact OD2-N 3.33Å; D79-F83 WeakPolarHBondContact O-CB 3.37Å; D79-F83 PolarHBondContact O-N 2.88Å; D79-F83 VanDerWaalsContact O-N 3.09Å
80P98.4Very high97.8Very high33 Ų3326.2 Ų26.221%0.21414%0.144CC..Hα-helixtrans-59.8-38.1-179.9-25.634.3000114.5A84 N126 I127 A130P80-A84 WeakPolarHBondContact O-CB 3.32Å; P80-A84 PolarHBondContact O-N 3.27Å; P80-N126 HydrophobicContact CG-CB 3.94Å; P80-I127 HydrophobicContact CB-CG1 4.43Å; P80-I127 HydrophobicContact CG-CG1 3.97Å; P80-A130 HydrophobicContact CB-CB 3.75Å; P80-A130 WeakPolarHBondContact O-CB 3.2Å
81C98.2Very high97.8Very high83 Ų8325 Ų2556%0.56114%0.136SC*.Hα-helixtrans-71-46.4-177.9-66.40000111D79 F83 A84 I85D79-C81 VanDerWaalsContact C-N 3.33Å; D79-C81 PolarHBondContact O-N 3.35Å; D79-C81 WeakPolarHBondContact OD2-CA 3.4Å; D79-C81 VanDerWaalsContact OD2-CB 3.3Å; D79-C81 WeakPolarHBondContact OD2-CB 3.36Å; D79-C81 PolarHBondContact OD2-N 2.82Å; C81-F83 VanDerWaalsContact C-N 3.34Å; C81-F83 PolarHBondContact O-N 3.41Å; C81-A84 PolarHBondContact O-N 2.93Å; C81-I85 VanDerWaalsContact O-CG1 3.28Å; C81-I85 WeakPolarHBondContact O-CG1 3.48Å; C81-I85 PolarHBondContact O-N 3.2Å
82E98.2Very high97.6Very high51 Ų5126.8 Ų26.824%0.23815%0.148CC..Hα-helixtrans-57.2-47.2174.5-71.4-176.1173.300111.3I52 S77 D79 A84 I85 A86I52-E82 HydrophobicContact CD1-CB 4.21Å; I52-E82 VanDerWaalsContact CD1-O 3.29Å; I52-E82 WeakPolarHBondContact CD1-O 3.4Å; S77-E82 PolarHBondContact OG-OE2 2.87Å; D79-E82 HydrophobicContact CB-CB 4.05Å; D79-E82 HydrophobicContact CB-CG 3.94Å; D79-E82 PolarHBondContact OD2-N 3.33Å; E82-A84 VanDerWaalsContact C-N 3.31Å; E82-A84 PolarHBondContact O-N 3.21Å; E82-I85 PolarHBondContact O-N 3.05Å; E82-A86 WeakPolarHBondContact O-CB 3.36Å; E82-A86 PolarHBondContact O-N 3.4Å
83F98.6Very high97.5Very high0 Ų030.3 Ų30.30%016%0.162CC..Hα-helixtrans-63.4-39.1-180-168.4-97.4000112.1L75 D79 C81 T87 I97 L99 I127 A131L75-F83 HydrophobicContact CB-CD2 3.95Å; L75-F83 HydrophobicContact CB-CE2 3.56Å; L75-F83 HydrophobicContact CD1-CD2 4.19Å; L75-F83 HydrophobicContact CD1-CE2 4.11Å; L75-F83 HydrophobicContact CG-CE2 4.45Å; D79-F83 WeakPolarHBondContact O-CB 3.37Å; D79-F83 PolarHBondContact O-N 2.88Å; D79-F83 VanDerWaalsContact O-N 3.09Å; C81-F83 VanDerWaalsContact C-N 3.34Å; C81-F83 PolarHBondContact O-N 3.41Å; F83-T87 VanDerWaalsContact O-CB 3.29Å; F83-T87 WeakPolarHBondContact O-CB 3.33Å; F83-T87 PolarHBondContact O-N 3.1Å; F83-T87 PolarHBondContact O-OG1 3.24Å; F83-I97 HydrophobicContact CE1-CG2 4.08Å; F83-I97 HydrophobicContact CE2-CG2 4.02Å; F83-I97 HydrophobicContact CZ-CG2 3.44Å; F83-I97 VanDerWaalsContact CZ-CG2 3.44Å; F83-L99 HydrophobicContact CD2-CD1 3.81Å; F83-L99 HydrophobicContact CE2-CB 3.86Å; F83-L99 HydrophobicContact CE2-CD1 3.44Å; F83-L99 VanDerWaalsContact CE2-CD1 3.44Å; F83-L99 HydrophobicContact CE2-CG 4.2Å; F83-L99 HydrophobicContact CZ-CB 3.69Å; F83-L99 HydrophobicContact CZ-CD1 4.09Å; F83-L99 HydrophobicContact CZ-CG 4.4Å; F83-I127 HydrophobicContact CB-CG2 3.59Å; F83-I127 HydrophobicContact CD1-CG2 3.47Å; F83-I127 VanDerWaalsContact CD1-CG2 3.47Å; F83-I127 HydrophobicContact CD2-CG2 3.89Å; F83-I127 HydrophobicContact CE1-CG2 4.09Å; F83-I127 HydrophobicContact CE2-CG2 4.4Å; F83-I127 HydrophobicContact CG-CG2 3.38Å; F83-A131 HydrophobicContact CD1-CB 3.61Å; F83-A131 HydrophobicContact CE1-CB 3.65Å
84A98.4Very high97.4Very high9 Ų930.3 Ų30.37%0.07416%0.162CC..Hα-helixtrans-65.4-46.3176.300000112.6P80 C81 E82 T87 E88 A130P80-A84 WeakPolarHBondContact O-CB 3.32Å; P80-A84 PolarHBondContact O-N 3.27Å; C81-A84 PolarHBondContact O-N 2.93Å; E82-A84 VanDerWaalsContact C-N 3.31Å; E82-A84 PolarHBondContact O-N 3.21Å; A84-T87 WeakPolarHBondContact O-CB 3.47Å; A84-T87 PolarHBondContact O-N 2.72Å; A84-E88 PolarHBondContact O-N 3.14Å; A84-A130 HydrophobicContact CB-CB 4.11Å
85I98.3Very high97.2Very high79 Ų7930.8 Ų30.841%0.40517%0.165SC..Hα-helixtrans-61.6-47.7177.4-66.4165.2000110.3I52 C81 E82 T87 E88 M89I52-I85 HydrophobicContact CD1-CB 3.94Å; I52-I85 HydrophobicContact CD1-CG2 3.89Å; I52-I85 HydrophobicContact CG1-CB 4.49Å; I52-I85 HydrophobicContact CG1-CG2 3.93Å; I52-I85 HydrophobicContact CG2-CG2 4.19Å; C81-I85 VanDerWaalsContact O-CG1 3.28Å; C81-I85 WeakPolarHBondContact O-CG1 3.48Å; C81-I85 PolarHBondContact O-N 3.2Å; E82-I85 PolarHBondContact O-N 3.05Å; I85-T87 VanDerWaalsContact C-N 3.27Å; I85-T87 PolarHBondContact O-N 3.17Å; I85-E88 PolarHBondContact O-N 3.41Å; I85-M89 HydrophobicContact CG2-SD 4.14Å; I85-M89 WeakPolarHBondContact O-CG 3.45Å; I85-M89 PolarHBondContact O-N 3Å
86A98.1Very high97.1Very high0 Ų030.8 Ų30.80%017%0.165CC..Hα-helixtrans-61.7-37.5177.200000111.9A48 I52 L75 E82 M89 L90A48-A86 HydrophobicContact CB-CB 3.88Å; I52-A86 HydrophobicContact CD1-CB 4.12Å; I52-A86 HydrophobicContact CG1-CB 4.15Å; L75-A86 HydrophobicContact CD1-CB 3.65Å; L75-A86 HydrophobicContact CD2-CB 4.39Å; E82-A86 WeakPolarHBondContact O-CB 3.36Å; E82-A86 PolarHBondContact O-N 3.4Å; A86-M89 PolarHBondContact O-N 3.26Å; A86-L90 WeakPolarHBondContact O-CB 3.44Å; A86-L90 WeakPolarHBondContact O-CD1 3.5Å; A86-L90 WeakPolarHBondContact O-CG 3.36Å; A86-L90 PolarHBondContact O-N 3.4Å; A86-L90 VanDerWaalsContact O-N 3.08Å
87T97.7Very high97.1Very high0 Ų030.6 Ų30.60%016%0.164CC..Hα-helixtrans-61.4-46.3174.7-640000111.4F83 A84 I85 L90 A91 I97 A131 I135 F175F83-T87 VanDerWaalsContact O-CB 3.29Å; F83-T87 WeakPolarHBondContact O-CB 3.33Å; F83-T87 PolarHBondContact O-N 3.1Å; F83-T87 PolarHBondContact O-OG1 3.24Å; A84-T87 WeakPolarHBondContact O-CB 3.47Å; A84-T87 PolarHBondContact O-N 2.72Å; I85-T87 VanDerWaalsContact C-N 3.27Å; I85-T87 PolarHBondContact O-N 3.17Å; T87-L90 PolarHBondContact O-N 3.35Å; T87-A91 WeakPolarHBondContact O-CB 3.37Å; T87-A91 PolarHBondContact O-N 3.47Å; T87-I97 HydrophobicContact CG2-CG1 3.79Å; T87-A131 HydrophobicContact CG2-CB 4.16Å; T87-I135 HydrophobicContact CG2-CB 4.33Å; T87-I135 HydrophobicContact CG2-CG1 3.82Å; T87-F175 HydrophobicContact CG2-CE1 3.77Å; T87-F175 HydrophobicContact CG2-CZ 4.1Å
88E96.2Very high97.1Very high90 Ų9030.5 Ų30.542%0.42116%0.163SC..Hα-helixtrans-60.8-45.8177.2-175.1174.6-157.800112.2A84 I85 L90 A91 P92 T134 I135A84-E88 PolarHBondContact O-N 3.14Å; I85-E88 PolarHBondContact O-N 3.41Å; E88-L90 VanDerWaalsContact C-N 3.27Å; E88-L90 PolarHBondContact O-N 2.93Å; E88-A91 PolarHBondContact O-N 2.88Å; E88-P92 WeakPolarHBondContact O-CD 3.39Å; E88-T134 HydrophobicContact CB-CG2 3.94Å; E88-T134 HydrophobicContact CG-CG2 4.38Å; E88-I135 HydrophobicContact CB-CD1 4.46Å; E88-I135 HydrophobicContact CG-CD1 4.45Å
89M96.3Very high97.2Very high62 Ų6228.2 Ų28.231%0.30515%0.15SC..Hα-helixtrans-61.5-34.2177.5-67.1175.775.700112.9F51 I52 I85 A86 Y93F51-M89 HydrophobicContact CD1-SD 4.49Å; F51-M89 HydrophobicContact CE1-CB 4.05Å; F51-M89 HydrophobicContact CE1-CE 4.32Å; I52-M89 HydrophobicContact CB-SD 4.5Å; I52-M89 HydrophobicContact CG1-SD 4.04Å; I85-M89 HydrophobicContact CG2-SD 4.14Å; I85-M89 WeakPolarHBondContact O-CG 3.45Å; I85-M89 PolarHBondContact O-N 3Å; A86-M89 PolarHBondContact O-N 3.26Å; M89-Y93 WeakPolarHBondContact O-CD2 3.43Å; M89-Y93 WeakPolarHBondContact O-CE2 3.26Å
90L96Very high97.2Very high0 Ų026 Ų260%014%0.138CC..Hα-helixtrans-89.6-22.4-177.5-77.4165.3000113.9F51 F62 V73 L75 A86 T87 E88 P92 Y93 C94 I97F51-L90 HydrophobicContact CE1-CD1 4.24Å; F51-L90 HydrophobicContact CE1-CD2 3.97Å; F51-L90 HydrophobicContact CE1-CG 3.74Å; F51-L90 HydrophobicContact CE2-CD2 3.92Å; F51-L90 HydrophobicContact CE2-CG 4.45Å; F51-L90 HydrophobicContact CZ-CD1 4.28Å; F51-L90 HydrophobicContact CZ-CD2 3.34Å; F51-L90 HydrophobicContact CZ-CG 3.68Å; F62-L90 HydrophobicContact CD1-CD2 3.95Å; F62-L90 HydrophobicContact CD2-CD2 4.03Å; F62-L90 HydrophobicContact CE1-CD2 3.96Å; F62-L90 HydrophobicContact CE2-CD2 4.05Å; F62-L90 HydrophobicContact CG-CD2 3.99Å; F62-L90 HydrophobicContact CZ-CD2 4.01Å; V73-L90 HydrophobicContact CB-CD1 4.18Å; V73-L90 HydrophobicContact CG1-CD1 3.64Å; V73-L90 HydrophobicContact CG1-CD2 4.29Å; V73-L90 HydrophobicContact CG2-CD2 4.32Å; L75-L90 HydrophobicContact CD1-CD1 4.11Å; L75-L90 HydrophobicContact CD2-CD1 3.87Å; L75-L90 HydrophobicContact CG-CD1 4.22Å; A86-L90 WeakPolarHBondContact O-CB 3.44Å; A86-L90 WeakPolarHBondContact O-CD1 3.5Å; A86-L90 WeakPolarHBondContact O-CG 3.36Å; A86-L90 PolarHBondContact O-N 3.4Å; A86-L90 VanDerWaalsContact O-N 3.08Å; T87-L90 PolarHBondContact O-N 3.35Å; E88-L90 VanDerWaalsContact C-N 3.27Å; E88-L90 PolarHBondContact O-N 2.93Å; L90-P92 VanDerWaalsContact C-N 3.3Å; L90-P92 VanDerWaalsContact O-N 3.17Å; L90-Y93 PolarHBondContact O-N 3.22Å; L90-C94 PolarHBondContact O-N 3.32Å; L90-C94 PolarHBondContact O-SG 2.96Å; L90-I97 HydrophobicContact CB-CD1 3.86Å; L90-I97 HydrophobicContact CD1-CD1 3.86Å
91A95.6Very high97.2Very high3 Ų324.4 Ų24.43%0.02513%0.128CC..THydrogen-bonded Turntrans-53.7-36-173.600000114.8T87 E88 Y93 I135 R139 F175T87-A91 WeakPolarHBondContact O-CB 3.37Å; T87-A91 PolarHBondContact O-N 3.47Å; E88-A91 PolarHBondContact O-N 2.88Å; A91-Y93 VanDerWaalsContact C-N 3.26Å; A91-Y93 PolarHBondContact O-N 3Å; A91-I135 HydrophobicContact CB-CD1 3.95Å; A91-I135 HydrophobicContact CB-CG1 4.12Å; A91-I135 HydrophobicContact CB-CG2 4.4Å; A91-R139 PolarHBondContact O-NH1 3.08Å; A91-F175 HydrophobicContact CB-CD2 4.42Å; A91-F175 HydrophobicContact CB-CE2 3.84Å; A91-F175 HydrophobicContact CB-CZ 3.91Å
92P93.8Very high97.1Very high39 Ų3920.8 Ų20.825%0.25311%0.105SC..THydrogen-bonded Turntrans-64.5-27173.2-23.535.4000113.6R69 E88 L90 T169 R170R69-P92 PolarHBondContact NH2-O 3.27Å; E88-P92 WeakPolarHBondContact O-CD 3.39Å; L90-P92 VanDerWaalsContact C-N 3.3Å; L90-P92 VanDerWaalsContact O-N 3.17Å; P92-T169 HydrophobicContact CB-CG2 4.14Å; P92-T169 CarbonylContact O-C 3.6Å; P92-T169 WeakPolarHBondContact O-CA 3.37Å; P92-R170 WeakPolarHBondContact O-CB 3.29Å; P92-R170 PolarHBondContact O-N 2.91Å
93Y94.8Very high97Very high73 Ų7319.2 Ų19.229%0.28610%0.1SC..THydrogen-bonded Turntrans-106.2-3.5-166.1-52.3-74.4000114.4F62 R69 M89 L90 A91 I168 T169F62-Y93 HydrophobicContact CE1-CG 4.22Å; R69-Y93 VanDerWaalsContact NH2-C 3.35Å; R69-Y93 PolarHBondContact NH2-O 2.82Å; M89-Y93 WeakPolarHBondContact O-CD2 3.43Å; M89-Y93 WeakPolarHBondContact O-CE2 3.26Å; L90-Y93 PolarHBondContact O-N 3.22Å; A91-Y93 VanDerWaalsContact C-N 3.26Å; A91-Y93 PolarHBondContact O-N 3Å; Y93-I168 HydrophobicContact CD1-CG2 4.05Å; Y93-T169 HydrophobicContact CD1-CG2 4.36Å; Y93-T169 HydrophobicContact CE1-CG2 3.71Å
94C95.7Very high96.8Very high0 Ų020.9 Ų20.90%011%0.11CC..  trans-139.6-179.3-178.664.60000112.3R69 L71 V73 L90 G96R69-C94 PolarHBondContact NH1-O 3.1Å; R69-C94 VanDerWaalsContact NH1-O 3.1Å; L71-C94 HydrophobicContact CB-CB 4.17Å; L71-C94 HydrophobicContact CD2-CB 4.24Å; L71-C94 HydrophobicContact CG-CB 4.19Å; V73-C94 HydrophobicContact CG2-CB 3.61Å; L90-C94 PolarHBondContact O-N 3.32Å; L90-C94 PolarHBondContact O-SG 2.96Å; C94-G96 PolarHBondContact SG-O 2.92Å
95D95.6Very high96.6Very high12 Ų1225.2 Ų25.26%0.06413%0.129CC..SBendtrans-107.5-10.8-179.4-61.9-87.8000111.7R69 P70 L71 R170 F175 S176R69-D95 WeakPolarHBondContact CG-OD2 3.32Å; R69-D95 IonicContact CZ-OD2 3.69Å; R69-D95 IonicContact NH1-OD1 3.93Å; R69-D95 IonicContact NH1-OD2 2.86Å; R69-D95 PolarHBondContact NH1-OD2 2.89Å; P70-D95 WeakPolarHBondContact CA-OD2 3.31Å; P70-D95 HydrophobicContact CB-CB 4.11Å; L71-D95 PolarHBondContact N-OD2 3.27Å; L71-D95 WeakPolarHBondContact O-CA 3.37Å; L71-D95 PolarHBondContact O-N 3.26Å; D95-R170 IonicContact OD1-CZ 3.31Å; D95-R170 IonicContact OD1-NE 2.65Å; D95-R170 PolarHBondContact OD1-NE 3.15Å; D95-R170 IonicContact OD1-NH2 3.1Å; D95-F175 WeakPolarHBondContact O-CA 3.37Å; D95-S176 PolarHBondContact O-N 3.26Å; D95-S176 PolarHBondContact O-OG 2.83Å
96G97Very high96.5Very high0 Ų026.2 Ų26.20%014%0.141CC..EExtended strand (participates in β ladder)trans-179.5174.3169.900000113.8L71 I72 V73 C94 S176L71-G96 PolarHBondContact O-N 3.15Å; I72-G96 WeakPolarHBondContact CA-O 3.48Å; V73-G96 PolarHBondContact N-O 2.86Å; C94-G96 PolarHBondContact SG-O 2.92Å; G96-S176 CarbonylContact C-O 3.58Å; G96-S176 WeakPolarHBondContact CA-O 3.27Å
97I98.3Very high96.4Very high0 Ų031.9 Ų31.90%016%0.162CC..EExtended strand (participates in β ladder)trans-113.6146.6173.9-58.3-57.9000109.7V73 L75 F83 T87 L90 F175 S176 I177 S178V73-I97 HydrophobicContact CB-CD1 3.83Å; V73-I97 CarbonylContact O-C 3.51Å; V73-I97 WeakPolarHBondContact O-CA 3.43Å; L75-I97 HydrophobicContact CB-CG2 4.3Å; L75-I97 HydrophobicContact CD1-CD1 4.39Å; L75-I97 HydrophobicContact CD1-CG2 3.72Å; L75-I97 HydrophobicContact CG-CG2 4.02Å; F83-I97 HydrophobicContact CE1-CG2 4.08Å; F83-I97 HydrophobicContact CE2-CG2 4.02Å; F83-I97 HydrophobicContact CZ-CG2 3.44Å; F83-I97 VanDerWaalsContact CZ-CG2 3.44Å; T87-I97 HydrophobicContact CG2-CG1 3.79Å; L90-I97 HydrophobicContact CB-CD1 3.86Å; L90-I97 HydrophobicContact CD1-CD1 3.86Å; I97-F175 HydrophobicContact CD1-CZ 4.34Å; I97-F175 HydrophobicContact CG1-CE1 4.12Å; I97-F175 HydrophobicContact CG1-CZ 3.74Å; I97-S176 PolarHBondContact N-O 2.95Å; I97-I177 CarbonylContact O-C 3.37Å; I97-I177 WeakPolarHBondContact O-CA 3.48Å; I97-S178 PolarHBondContact O-N 2.95Å; I97-S178 PolarHBondContact O-OG 3.12Å
98D98.8Very high96.3Very high0 Ų031.9 Ų31.90%016%0.162CC..EExtended strand (participates in β ladder)trans-118.4131.4168.6179.468.2000110.4I72 V73 Q74 L75 S178 A179 K180I72-D98 HydrophobicContact CG2-CB 3.69Å; V73-D98 PolarHBondContact O-N 2.93Å; Q74-D98 CarbonylContact C-O 3.55Å; Q74-D98 WeakPolarHBondContact CA-O 3.06Å; Q74-D98 HydrophobicContact CB-CB 4.29Å; Q74-D98 HydrophobicContact CG-CB 4.31Å; Q74-D98 WeakPolarHBondContact CG-OD2 3.4Å; Q74-D98 PolarHBondContact NE2-OD2 3.21Å; L75-D98 PolarHBondContact N-O 3.04Å; D98-S178 CarbonylContact C-O 3.49Å; D98-S178 WeakPolarHBondContact CA-O 3.34Å; D98-S178 WeakPolarHBondContact CB-OG 3.07Å; D98-S178 VanDerWaalsContact OD1-C 3.32Å; D98-S178 PolarHBondContact OD1-OG 2.95Å; D98-A179 VanDerWaalsContact OD1-CA 3.26Å; D98-A179 WeakPolarHBondContact OD1-CA 3.34Å; D98-A179 PolarHBondContact OD1-N 3.22Å; D98-K180 PolarHBondContact OD1-N 2.89Å; D98-K180 VanDerWaalsContact OD1-N 3.12Å; D98-K180 WeakPolarHBondContact OD2-CB 3.37Å
99L98.8Very high96.3Very high0 Ų031 Ų310%016%0.16CC..EExtended strand (participates in β ladder)trans-86121.5172.6177.161.6000110.4F83 C101 I124 I127 V128 S178 A179 K180F83-L99 HydrophobicContact CD2-CD1 3.81Å; F83-L99 HydrophobicContact CE2-CB 3.86Å; F83-L99 HydrophobicContact CE2-CD1 3.44Å; F83-L99 VanDerWaalsContact CE2-CD1 3.44Å; F83-L99 HydrophobicContact CE2-CG 4.2Å; F83-L99 HydrophobicContact CZ-CB 3.69Å; F83-L99 HydrophobicContact CZ-CD1 4.09Å; F83-L99 HydrophobicContact CZ-CG 4.4Å; L99-C101 PolarHBondContact O-N 3.13Å; L99-I124 HydrophobicContact CD2-CG2 3.88Å; L99-I127 HydrophobicContact CD1-CG2 3.93Å; L99-I127 HydrophobicContact CD2-CB 4.13Å; L99-I127 HydrophobicContact CD2-CG2 3.7Å; L99-I127 HydrophobicContact CG-CG2 4.41Å; L99-V128 HydrophobicContact CD2-CG2 4.18Å; L99-S178 PolarHBondContact N-O 2.86Å; L99-A179 HydrophobicContact CB-CB 4.36Å; L99-K180 PolarHBondContact O-N 3.39Å
100N98.7Very high96.3Very high11 Ų1131.5 Ų31.56%0.05918%0.181CC..EExtended strand (participates in β ladder)trans-77.7106.4172.8-168.6-57000111.7M45 Q74 L75 A76 G102 C103 G114M45-N100 HydrophobicContact CG-CB 4.22Å; M45-N100 HydrophobicContact SD-CB 4.14Å; M45-N100 PolarHBondContact SD-ND2 2.65Å; M45-N100 VanDerWaalsContact SD-ND2 3.41Å; Q74-N100 VanDerWaalsContact CD-ND2 3.32Å; Q74-N100 HydrophobicContact CG-CB 3.96Å; Q74-N100 PolarHBondContact NE2-ND2 3.23Å; Q74-N100 PolarHBondContact OE1-ND2 3.22Å; L75-N100 PolarHBondContact O-N 2.67Å; A76-N100 HydrophobicContact CB-CB 4.37Å; N100-G102 PolarHBondContact OD1-N 2.87Å; N100-G102 VanDerWaalsContact OD1-N 3.08Å; N100-C103 WeakPolarHBondContact OD1-CB 3.47Å; N100-C103 PolarHBondContact OD1-N 3.26Å; N100-G114 WeakPolarHBondContact O-CA 3.32Å; N100-G114 WeakPolarHBondContact OD1-CA 3.48Å
101C98.3Very high96.3Very high0 Ų034.7 Ų34.70%020%0.203CC..EExtended strand (participates in β ladder)trans-112.615.1171.1-65.90000112L99 G114 S115 L118 I124 K180 I181L99-C101 PolarHBondContact O-N 3.13Å; C101-G114 VanDerWaalsContact C-C 3.41Å; C101-G114 CarbonylContact C-O 3.59Å; C101-G114 VanDerWaalsContact C-O 3.3Å; C101-G114 WeakPolarHBondContact CA-O 3.33Å; C101-S115 WeakPolarHBondContact O-CA 3.28Å; C101-L118 HydrophobicContact CB-CD2 4.18Å; C101-L118 WeakPolarHBondContact O-CG 3.31Å; C101-I124 HydrophobicContact CB-CD1 4.44Å; C101-K180 CarbonylContact C-O 3.42Å; C101-K180 WeakPolarHBondContact CA-O 3.28Å; C101-K180 WeakPolarHBondContact CB-O 3.33Å; C101-K180 PolarHBondContact N-O 3.29Å; C101-I181 HydrophobicContact CB-CB 4.47Å; C101-I181 HydrophobicContact CB-CG2 3.72Å
102G96.3Very high96.4Very high7 Ų735.5 Ų35.57%0.07221%0.212CC..  trans-123.8-14.9-164.700000115.5N100 P104 K180 R182N100-G102 PolarHBondContact OD1-N 2.87Å; N100-G102 VanDerWaalsContact OD1-N 3.08Å; G102-P104 VanDerWaalsContact O-CD 3.27Å; G102-P104 WeakPolarHBondContact O-CD 3.42Å; G102-K180 PolarHBondContact N-O 2.75Å; G102-R182 VanDerWaalsContact O-CD 3.25Å; G102-R182 WeakPolarHBondContact O-CD 3.31Å; G102-R182 PolarHBondContact O-NE 2.93Å; G102-R182 VanDerWaalsContact O-NE 3.07Å
103C95.8Very high96.5Very high19 Ų1934.5 Ų34.513%0.12820%0.204CC..  trans-68.7118.7-177-171.90000111.3M45 N100 Q105 S115M45-C103 HydrophobicContact SD-CB 4.16Å; N100-C103 WeakPolarHBondContact OD1-CB 3.47Å; N100-C103 PolarHBondContact OD1-N 3.26Å; C103-Q105 VanDerWaalsContact C-N 3.33Å; C103-Q105 VanDerWaalsContact SG-CG 3.59Å; C103-S115 PolarHBondContact O-N 3.09Å; C103-S115 PolarHBondContact O-OG 3.11Å
104P94.9Very high96.7Very high34 Ų3431 Ų3122%0.22119%0.19CC..  trans-94.313.8-179.541.1-38.9000112.8G102 I109 S115G102-P104 VanDerWaalsContact O-CD 3.27Å; G102-P104 WeakPolarHBondContact O-CD 3.42Å; P104-I109 WeakPolarHBondContact O-CD1 3.38Å; P104-S115 WeakPolarHBondContact CA-OG 3.4Å
105Q94.6Very high96.7Very high101 Ų10131.3 Ų31.347%0.47219%0.192SC..  trans-66134.2-176.8-72.2-65.1-25.600110C103 W107 A108 I109C103-Q105 VanDerWaalsContact C-N 3.33Å; C103-Q105 VanDerWaalsContact SG-CG 3.59Å; Q105-W107 HydrophobicContact CB-CG 4.48Å; Q105-W107 PolarHBondContact O-N 3.12Å; Q105-W107 VanDerWaalsContact O-N 3.16Å; Q105-A108 HydrophobicContact CB-CB 4.3Å; Q105-A108 PolarHBondContact O-N 2.86Å; Q105-I109 PolarHBondContact O-N 2.84Å
106P95.6Very high96.8Very high100 Ų10031.5 Ų31.565%0.64920%0.196SC*.Hα-helixtrans-53.3-40.5-176.2-29.635.5000113.7I109 G110P106-I109 PolarHBondContact O-N 2.84Å; P106-G110 PolarHBondContact O-N 2.91Å
107W96Very high96.8Very high119 Ų11931.5 Ų31.545%0.45120%0.196SC..Hα-helixtrans-63.9-41.8177.672.4-99000112.1M45 L47 Q105 G110 S111 L113M45-W107 HydrophobicContact CE-CH2 3.45Å; M45-W107 VanDerWaalsContact CE-CH2 3.45Å; M45-W107 HydrophobicContact CE-CZ2 3.61Å; L47-W107 HydrophobicContact CD2-CH2 4Å; L47-W107 HydrophobicContact CD2-CZ3 4.07Å; Q105-W107 HydrophobicContact CB-CG 4.48Å; Q105-W107 PolarHBondContact O-N 3.12Å; Q105-W107 VanDerWaalsContact O-N 3.16Å; W107-G110 PolarHBondContact O-N 2.96Å; W107-S111 PolarHBondContact O-N 3.39Å; W107-S111 VanDerWaalsContact O-N 3.09Å; W107-S111 PolarHBondContact O-OG 3.23Å; W107-L113 HydrophobicContact CZ3-CD1 4.43Å
108A95.8Very high96.7Very high0 Ų032 Ų320%020%0.198CC..Hα-helixtrans-67.6-43.5-18000000110.4Q105 G110 S111 G112 L113Q105-A108 HydrophobicContact CB-CB 4.3Å; Q105-A108 PolarHBondContact O-N 2.86Å; A108-G110 VanDerWaalsContact C-N 3.35Å; A108-G110 PolarHBondContact O-N 3.26Å; A108-S111 PolarHBondContact O-N 2.92Å; A108-G112 PolarHBondContact O-N 3.05Å; A108-L113 CarbonylContact C-O 3.43Å; A108-L113 HydrophobicContact CB-CB 4.35Å; A108-L113 WeakPolarHBondContact O-CA 3.49Å; A108-L113 WeakPolarHBondContact O-CB 3.43Å; A108-L113 PolarHBondContact O-N 3Å
109I95.6Very high96.4Very high72 Ų7237 Ų3737%0.36922%0.22SC..Hα-helixtrans-60.9-45175.3-65.7173.3000110.8P104 Q105 P106 S111 G112 A116P104-I109 WeakPolarHBondContact O-CD1 3.38Å; Q105-I109 PolarHBondContact O-N 2.84Å; P106-I109 PolarHBondContact O-N 2.84Å; I109-S111 PolarHBondContact O-N 2.92Å; I109-G112 PolarHBondContact O-N 3.45Å; I109-A116 HydrophobicContact CG2-CB 4.3Å
110G96.2Very high96.2Very high72 Ų7240.4 Ų40.474%0.74224%0.236SC*.Hα-helixtrans-61.8-28.8178.700000113.5P106 W107 A108 G112P106-G110 PolarHBondContact O-N 2.91Å; W107-G110 PolarHBondContact O-N 2.96Å; A108-G110 VanDerWaalsContact C-N 3.35Å; A108-G110 PolarHBondContact O-N 3.26Å; G110-G112 VanDerWaalsContact C-N 3.33Å
111S96.3Very high96Very high67 Ų6740.9 Ų40.947%0.46924%0.24SC..THydrogen-bonded Turntrans-87.95.9172.9-57.90000113.9N78 W107 A108 I109 L113N78-S111 PolarHBondContact ND2-O 3.38Å; W107-S111 PolarHBondContact O-N 3.39Å; W107-S111 VanDerWaalsContact O-N 3.09Å; W107-S111 PolarHBondContact O-OG 3.23Å; A108-S111 PolarHBondContact O-N 2.92Å; I109-S111 PolarHBondContact O-N 2.92Å; S111-L113 VanDerWaalsContact C-N 3.28Å; S111-L113 PolarHBondContact O-N 3.13Å
112G96.7Very high95.8Very high20 Ų2046.6 Ų46.621%0.20627%0.266CS..THydrogen-bonded Turntrans71.418.9-177.500000114.5N78 A108 I109 G110N78-G112 WeakPolarHBondContact CB-O 3.41Å; A108-G112 PolarHBondContact O-N 3.05Å; I109-G112 PolarHBondContact O-N 3.45Å; G110-G112 VanDerWaalsContact C-N 3.33Å
113L97.7Very high95.9Very high17 Ų1749.1 Ų49.19%0.08928%0.275CS..  trans-101.4170.6179.9-57.9172.1000111.5L47 A76 S77 N78 W107 A108 S111 S115 A116L47-L113 HydrophobicContact CD2-CD1 3.79Å; A76-L113 HydrophobicContact CB-CD1 4.45Å; S77-L113 VanDerWaalsContact C-CD2 3.44Å; N78-L113 HydrophobicContact CB-CD2 4.04Å; W107-L113 HydrophobicContact CZ3-CD1 4.43Å; A108-L113 CarbonylContact C-O 3.43Å; A108-L113 HydrophobicContact CB-CB 4.35Å; A108-L113 WeakPolarHBondContact O-CA 3.49Å; A108-L113 WeakPolarHBondContact O-CB 3.43Å; A108-L113 PolarHBondContact O-N 3Å; S111-L113 VanDerWaalsContact C-N 3.28Å; S111-L113 PolarHBondContact O-N 3.13Å; L113-S115 PolarHBondContact O-N 3.32Å; L113-A116 WeakPolarHBondContact O-CB 3.5Å; L113-A116 PolarHBondContact O-N 2.91Å
114G97.3Very high96Very high0 Ų048.2 Ų48.20%027%0.269CS..G310 helixtrans61.5-130.3173.300000111.8N100 C101 A116 L117N100-G114 WeakPolarHBondContact O-CA 3.32Å; N100-G114 WeakPolarHBondContact OD1-CA 3.48Å; C101-G114 VanDerWaalsContact C-C 3.41Å; C101-G114 CarbonylContact C-O 3.59Å; C101-G114 VanDerWaalsContact C-O 3.3Å; C101-G114 WeakPolarHBondContact CA-O 3.33Å; G114-A116 PolarHBondContact O-N 2.67Å; G114-A116 VanDerWaalsContact O-N 3.14Å; G114-L117 WeakPolarHBondContact O-CB 3.3Å; G114-L117 PolarHBondContact O-N 3.29Å
115S96.9Very high96.1Very high7 Ų747.1 Ų47.15%0.04926%0.263CS..G310 helixtrans-68.8-10.4-176.7640000114.6C101 C103 P104 L113 L117 L118C101-S115 WeakPolarHBondContact O-CA 3.28Å; C103-S115 PolarHBondContact O-N 3.09Å; C103-S115 PolarHBondContact O-OG 3.11Å; P104-S115 WeakPolarHBondContact CA-OG 3.4Å; L113-S115 PolarHBondContact O-N 3.32Å; S115-L117 PolarHBondContact O-N 2.83Å; S115-L118 WeakPolarHBondContact O-CB 3.29Å; S115-L118 PolarHBondContact O-N 3.02Å
116A96.6Very high96.2Very high16 Ų1646.6 Ų46.613%0.13226%0.263CS..G310 helixtrans-61.9-36.1171.500000111.6I109 L113 G114 L118 K119I109-A116 HydrophobicContact CG2-CB 4.3Å; L113-A116 WeakPolarHBondContact O-CB 3.5Å; L113-A116 PolarHBondContact O-N 2.91Å; G114-A116 PolarHBondContact O-N 2.67Å; G114-A116 VanDerWaalsContact O-N 3.14Å; A116-L118 PolarHBondContact O-N 2.91Å; A116-L118 VanDerWaalsContact O-N 3.17Å; A116-K119 PolarHBondContact O-N 3.26Å
117L97.1Very high96.4Very high0 Ų041.8 Ų41.80%023%0.232CC..G310 helixtrans-60.6-26.4-179.9-68171.8000113.3N78 G114 S115 K119 E120 K123 I124 I127N78-L117 HydrophobicContact CB-CD2 3.86Å; G114-L117 WeakPolarHBondContact O-CB 3.3Å; G114-L117 PolarHBondContact O-N 3.29Å; S115-L117 PolarHBondContact O-N 2.83Å; L117-K119 PolarHBondContact O-N 3.14Å; L117-E120 CarbonylContact O-C 3.56Å; L117-E120 WeakPolarHBondContact O-CA 3.15Å; L117-E120 PolarHBondContact O-N 2.85Å; L117-K123 HydrophobicContact CD2-CD 3.83Å; L117-K123 HydrophobicContact CD2-CG 4.36Å; L117-I124 HydrophobicContact CB-CD1 4Å; L117-I124 HydrophobicContact CB-CG1 3.84Å; L117-I124 VanDerWaalsContact O-CD1 3.31Å; L117-I124 WeakPolarHBondContact O-CD1 3.37Å; L117-I127 HydrophobicContact CD2-CD1 4.32Å
118L96.2Very high96.5Very high11 Ų1136.1 Ų36.16%0.05821%0.211CC..G310 helixtrans-61.5-18-177.9-62.8175.6000113.3C101 S115 A116 I124 I181 R182 P184 L206 P225C101-L118 HydrophobicContact CB-CD2 4.18Å; C101-L118 WeakPolarHBondContact O-CG 3.31Å; S115-L118 WeakPolarHBondContact O-CB 3.29Å; S115-L118 PolarHBondContact O-N 3.02Å; A116-L118 PolarHBondContact O-N 2.91Å; A116-L118 VanDerWaalsContact O-N 3.17Å; L118-I124 HydrophobicContact CD2-CD1 4.37Å; L118-I181 HydrophobicContact CD2-CB 4.12Å; L118-I181 HydrophobicContact CD2-CG2 4.18Å; L118-R182 HydrophobicContact CD1-CB 3.94Å; L118-P184 HydrophobicContact CB-CB 4.33Å; L118-L206 HydrophobicContact CD2-CD2 3.78Å; L118-P225 HydrophobicContact CD1-CG 3.85Å
119K93.2Very high96.6Very high104 Ų10439.6 Ų39.645%0.45223%0.227SC..G310 helixtrans-79-19.7174.1-59.4-177.5-179.6-179.20113.1A116 L117 P121 N188A116-K119 PolarHBondContact O-N 3.26Å; L117-K119 PolarHBondContact O-N 3.14Å; K119-P121 VanDerWaalsContact C-CD 3.45Å; K119-P121 VanDerWaalsContact O-CD 3.32Å; K119-P121 WeakPolarHBondContact O-CD 2.91Å; K119-N188 PolarHBondContact O-ND2 3.21Å
120E94.1Very high96.7Very high71 Ų7137.2 Ų37.233%0.33222%0.218SC..  trans-120.967-174.6-62.9178.3-10200110.7L117 E122 K123 I124L117-E120 CarbonylContact O-C 3.56Å; L117-E120 WeakPolarHBondContact O-CA 3.15Å; L117-E120 PolarHBondContact O-N 2.85Å; E120-E122 PolarHBondContact O-N 2.85Å; E120-E122 VanDerWaalsContact O-N 3.09Å; E120-K123 HydrophobicContact CB-CB 3.81Å; E120-K123 WeakPolarHBondContact O-CB 3.48Å; E120-K123 PolarHBondContact O-N 3.48Å; E120-K123 IonicContact OE1-NZ 3.94Å; E120-K123 PolarHBondContact OE1-NZ 3.11Å; E120-K123 WeakPolarHBondContact OE2-CE 3.42Å; E120-K123 IonicContact OE2-NZ 3.57Å; E120-K123 PolarHBondContact OE2-NZ 3.19Å; E120-I124 PolarHBondContact O-N 2.97Å
121P94.4Very high96.7Very high22 Ų2233.8 Ų33.814%0.14318%0.183CC..Hα-helixtrans-59.4-26.3-175.823.9-35000113.9K119 A125 L206K119-P121 VanDerWaalsContact C-CD 3.45Å; K119-P121 VanDerWaalsContact O-CD 3.32Å; K119-P121 WeakPolarHBondContact O-CD 2.91Å; P121-A125 WeakPolarHBondContact O-CB 3.37Å; P121-A125 PolarHBondContact O-N 3.22Å; P121-A125 VanDerWaalsContact O-N 3.11Å; P121-L206 HydrophobicContact CB-CD1 4Å
122E95.3Very high96.7Very high119 Ų11931 Ų3156%0.55616%0.162SC*.Hα-helixtrans-69.8-39.4174.2-64.5178-174.500112E120 A125 N126 R209E120-E122 PolarHBondContact O-N 2.85Å; E120-E122 VanDerWaalsContact O-N 3.09Å; E122-A125 WeakPolarHBondContact O-CB 3.33Å; E122-A125 PolarHBondContact O-N 3.4Å; E122-N126 VanDerWaalsContact O-CG 3.24Å; E122-N126 PolarHBondContact O-N 3.11Å; E122-N126 PolarHBondContact O-ND2 3.31Å; E122-R209 IonicContact OE1-NH1 2.69Å
123K96.9Very high96.7Very high61 Ų6135 Ų3527%0.26518%0.178SC..Hα-helixtrans-63.4-44.8174.5178.4179.8-97.5154.30110.8N78 L117 E120 A125 N126 I127N78-K123 HydrophobicContact CB-CD 4.48Å; N78-K123 WeakPolarHBondContact O-CD 3.36Å; N78-K123 VanDerWaalsContact O-CE 3.26Å; N78-K123 WeakPolarHBondContact O-CE 3.44Å; L117-K123 HydrophobicContact CD2-CD 3.83Å; L117-K123 HydrophobicContact CD2-CG 4.36Å; E120-K123 HydrophobicContact CB-CB 3.81Å; E120-K123 WeakPolarHBondContact O-CB 3.48Å; E120-K123 PolarHBondContact O-N 3.48Å; E120-K123 IonicContact OE1-NZ 3.94Å; E120-K123 PolarHBondContact OE1-NZ 3.11Å; E120-K123 WeakPolarHBondContact OE2-CE 3.42Å; E120-K123 IonicContact OE2-NZ 3.57Å; E120-K123 PolarHBondContact OE2-NZ 3.19Å; K123-A125 VanDerWaalsContact C-N 3.3Å; K123-A125 PolarHBondContact O-N 3.11Å; K123-N126 PolarHBondContact O-N 2.88Å; K123-I127 HydrophobicContact CG-CD1 3.96Å; K123-I127 HydrophobicContact CG-CG1 4.48Å; K123-I127 VanDerWaalsContact O-CG1 3.28Å; K123-I127 WeakPolarHBondContact O-CG1 3.38Å; K123-I127 PolarHBondContact O-N 3.08Å
124I97.9Very high96.5Very high0 Ų036.5 Ų36.50%019%0.188CC..Hα-helixtrans-57.8-46175.8-56.8175.9000110.4L99 C101 L117 L118 E120 N126 I127 V128 L206 L210L99-I124 HydrophobicContact CD2-CG2 3.88Å; C101-I124 HydrophobicContact CB-CD1 4.44Å; L117-I124 HydrophobicContact CB-CD1 4Å; L117-I124 HydrophobicContact CB-CG1 3.84Å; L117-I124 VanDerWaalsContact O-CD1 3.31Å; L117-I124 WeakPolarHBondContact O-CD1 3.37Å; L118-I124 HydrophobicContact CD2-CD1 4.37Å; E120-I124 PolarHBondContact O-N 2.97Å; I124-N126 PolarHBondContact O-N 3.09Å; I124-I127 PolarHBondContact O-N 3.49Å; I124-V128 PolarHBondContact O-N 2.99Å; I124-V128 VanDerWaalsContact O-N 3.11Å; I124-L206 HydrophobicContact CB-CD1 4.29Å; I124-L206 HydrophobicContact CD1-CD1 3.8Å; I124-L206 HydrophobicContact CD1-CD2 4.13Å; I124-L206 HydrophobicContact CG2-CD1 4.34Å; I124-L210 HydrophobicContact CG2-CD2 3.5Å; I124-L210 VanDerWaalsContact CG2-CD2 3.5Å; I124-L210 HydrophobicContact CG2-CG 4.43Å
125A97.1Very high96.3Very high10 Ų1036.6 Ų36.68%0.08319%0.189CC..Hα-helixtrans-58.2-47177.400000111.9P121 E122 K123 I127 V128 H129 R209 M213P121-A125 WeakPolarHBondContact O-CB 3.37Å; P121-A125 PolarHBondContact O-N 3.22Å; P121-A125 VanDerWaalsContact O-N 3.11Å; E122-A125 WeakPolarHBondContact O-CB 3.33Å; E122-A125 PolarHBondContact O-N 3.4Å; K123-A125 VanDerWaalsContact C-N 3.3Å; K123-A125 PolarHBondContact O-N 3.11Å; A125-I127 PolarHBondContact O-N 3.22Å; A125-V128 PolarHBondContact O-N 3.5Å; A125-H129 WeakPolarHBondContact O-CB 3.31Å; A125-H129 PolarHBondContact O-N 2.95Å; A125-R209 HydrophobicContact CB-CB 4.39Å; A125-M213 HydrophobicContact CB-CG 3.65Å; A125-M213 HydrophobicContact CB-SD 4.21Å; A125-M213 WeakPolarHBondContact O-CG 3.3Å
126N98.1Very high96Very high90 Ų9039 Ų3948%0.48120%0.204SC..Hα-helixtrans-62.9-39.5178.3-68.8-15.4000112.7P80 E122 K123 I124 H129 A130P80-N126 HydrophobicContact CG-CB 3.94Å; E122-N126 VanDerWaalsContact O-CG 3.24Å; E122-N126 PolarHBondContact O-N 3.11Å; E122-N126 PolarHBondContact O-ND2 3.31Å; K123-N126 PolarHBondContact O-N 2.88Å; I124-N126 PolarHBondContact O-N 3.09Å; N126-H129 PolarHBondContact O-N 3.32Å; N126-A130 WeakPolarHBondContact O-CB 3.45Å; N126-A130 PolarHBondContact O-N 2.95Å
127I98.6Very high95.8Very high0 Ų039.2 Ų39.20%020%0.202CC..Hα-helixtrans-61.5-48.8177-68.5165.6000110.9P80 F83 L99 L117 K123 I124 A125 A130 A131P80-I127 HydrophobicContact CB-CG1 4.43Å; P80-I127 HydrophobicContact CG-CG1 3.97Å; F83-I127 HydrophobicContact CB-CG2 3.59Å; F83-I127 HydrophobicContact CD1-CG2 3.47Å; F83-I127 VanDerWaalsContact CD1-CG2 3.47Å; F83-I127 HydrophobicContact CD2-CG2 3.89Å; F83-I127 HydrophobicContact CE1-CG2 4.09Å; F83-I127 HydrophobicContact CE2-CG2 4.4Å; F83-I127 HydrophobicContact CG-CG2 3.38Å; L99-I127 HydrophobicContact CD1-CG2 3.93Å; L99-I127 HydrophobicContact CD2-CB 4.13Å; L99-I127 HydrophobicContact CD2-CG2 3.7Å; L99-I127 HydrophobicContact CG-CG2 4.41Å; L117-I127 HydrophobicContact CD2-CD1 4.32Å; K123-I127 HydrophobicContact CG-CD1 3.96Å; K123-I127 HydrophobicContact CG-CG1 4.48Å; K123-I127 VanDerWaalsContact O-CG1 3.28Å; K123-I127 WeakPolarHBondContact O-CG1 3.38Å; K123-I127 PolarHBondContact O-N 3.08Å; I124-I127 PolarHBondContact O-N 3.49Å; A125-I127 PolarHBondContact O-N 3.22Å; I127-A130 PolarHBondContact O-N 3.36Å; I127-A131 PolarHBondContact O-N 3.09Å
128V98.2Very high95.4Very high0 Ų043.9 Ų43.90%022%0.219CC..Hα-helixtrans-62.4-45.1177.4166.90000111L99 I124 A125 A130 A131 R132 I177 L210 M213 V215L99-V128 HydrophobicContact CD2-CG2 4.18Å; I124-V128 PolarHBondContact O-N 2.99Å; I124-V128 VanDerWaalsContact O-N 3.11Å; A125-V128 PolarHBondContact O-N 3.5Å; V128-A130 PolarHBondContact O-N 3.44Å; V128-A131 PolarHBondContact O-N 3.39Å; V128-R132 PolarHBondContact O-N 2.97Å; V128-I177 HydrophobicContact CG1-CG2 4.21Å; V128-L210 HydrophobicContact CB-CD2 4.33Å; V128-L210 HydrophobicContact CG2-CD2 3.66Å; V128-M213 HydrophobicContact CB-CB 4.19Å; V128-M213 HydrophobicContact CG1-CB 3.77Å; V128-V215 HydrophobicContact CB-CG1 4.27Å; V128-V215 HydrophobicContact CG1-CG1 3.46Å; V128-V215 VanDerWaalsContact CG1-CG1 3.46Å; V128-V215 HydrophobicContact CG2-CG1 3.78Å
129H97.7Very high94.8Very high73 Ų7344.2 Ų44.234%0.33822%0.22SC..Hα-helixtrans-61.9-43.3-178.5-171.253.1000111.9A125 N126 A131 R132 N133 M213A125-H129 WeakPolarHBondContact O-CB 3.31Å; A125-H129 PolarHBondContact O-N 2.95Å; N126-H129 PolarHBondContact O-N 3.32Å; H129-A131 PolarHBondContact O-N 3.46Å; H129-R132 PolarHBondContact O-N 2.8Å; H129-N133 PolarHBondContact CD2-ND2 2.95Å; H129-N133 PolarHBondContact CE1-ND2 2.75Å; H129-N133 VanDerWaalsContact CE1-ND2 3.31Å; H129-N133 PolarHBondContact CE1-OD1 3Å; H129-N133 VanDerWaalsContact CE1-OD1 3.29Å; H129-N133 PolarHBondContact NE2-ND2 2.88Å; H129-N133 WeakPolarHBondContact O-CB 3.33Å; H129-N133 VanDerWaalsContact O-CG 3.27Å; H129-N133 PolarHBondContact O-N 3.08Å; H129-M213 HydrophobicContact CB-CB 4.25Å; H129-M213 HydrophobicContact CB-CG 4.35Å; H129-M213 HydrophobicContact CB-SD 3.7Å
130A97.9Very high93.8Very high22 Ų2245 Ų4518%0.18223%0.229CC..Hα-helixtrans-58.4-49.5176.800000111.5P80 A84 N126 I127 V128 R132 N133 T134P80-A130 HydrophobicContact CB-CB 3.75Å; P80-A130 WeakPolarHBondContact O-CB 3.2Å; A84-A130 HydrophobicContact CB-CB 4.11Å; N126-A130 WeakPolarHBondContact O-CB 3.45Å; N126-A130 PolarHBondContact O-N 2.95Å; I127-A130 PolarHBondContact O-N 3.36Å; V128-A130 PolarHBondContact O-N 3.44Å; A130-R132 VanDerWaalsContact C-N 3.35Å; A130-R132 PolarHBondContact O-N 3.04Å; A130-N133 PolarHBondContact O-N 3.17Å; A130-T134 PolarHBondContact O-N 3.29Å; A130-T134 PolarHBondContact O-OG1 2.83Å; A130-T134 VanDerWaalsContact O-OG1 3.1Å
131A97.4Very high92.1Very high0 Ų045.9 Ų45.90%024%0.243CC..Hα-helixtrans-63.1-38.4177.100000113.2F83 T87 I127 V128 H129 T134 I135 I177F83-A131 HydrophobicContact CD1-CB 3.61Å; F83-A131 HydrophobicContact CE1-CB 3.65Å; T87-A131 HydrophobicContact CG2-CB 4.16Å; I127-A131 PolarHBondContact O-N 3.09Å; V128-A131 PolarHBondContact O-N 3.39Å; H129-A131 PolarHBondContact O-N 3.46Å; A131-T134 PolarHBondContact O-N 3Å; A131-I135 PolarHBondContact O-N 3.1Å; A131-I177 VanDerWaalsContact C-CD1 3.48Å; A131-I177 HydrophobicContact CB-CD1 3.74Å
132R96.1Very high90.1Very high7 Ų753.1 Ų53.13%0.02628%0.275CS..Hα-helixtrans-69.4-34.2178.4-177.755.670.1-164.412.4112.6V128 H129 A130 I135 R137 F175 I177 G214 D216 Y250V128-R132 PolarHBondContact O-N 2.97Å; H129-R132 PolarHBondContact O-N 2.8Å; A130-R132 VanDerWaalsContact C-N 3.35Å; A130-R132 PolarHBondContact O-N 3.04Å; R132-I135 CarbonylContact O-C 3.29Å; R132-I135 VanDerWaalsContact O-O 3.08Å; R132-R137 VanDerWaalsContact NH1-CA 3.26Å; R132-F175 PolarHBondContact NH1-O 2.97Å; R132-I177 VanDerWaalsContact CA-CD1 3.46Å; R132-I177 HydrophobicContact CB-CD1 3.81Å; R132-I177 VanDerWaalsContact N-CD1 3.31Å; R132-G214 PolarHBondContact NE-O 3.05Å; R132-G214 PolarHBondContact NH2-O 3.5Å; R132-D216 IonicContact CZ-OD2 2.67Å; R132-D216 IonicContact NH2-OD2 3.54Å; R132-D216 PolarHBondContact NH2-OD2 3.16Å; R132-Y250 HydrophobicContact CG-CE2 4.2Å; R132-Y250 WeakPolarHBondContact CG-OH 3.37Å
133N95.4Very high88Confident104 Ų10452.8 Ų52.856%0.55627%0.274SS*.Hα-helixtrans-69.9-34.1174.2-73.3-12.6000111.8H129 A130H129-N133 PolarHBondContact CD2-ND2 2.95Å; H129-N133 PolarHBondContact CE1-ND2 2.75Å; H129-N133 VanDerWaalsContact CE1-ND2 3.31Å; H129-N133 PolarHBondContact CE1-OD1 3Å; H129-N133 VanDerWaalsContact CE1-OD1 3.29Å; H129-N133 PolarHBondContact NE2-ND2 2.88Å; H129-N133 WeakPolarHBondContact O-CB 3.33Å; H129-N133 VanDerWaalsContact O-CG 3.27Å; H129-N133 PolarHBondContact O-N 3.08Å; A130-N133 PolarHBondContact O-N 3.17Å
134T94.2Very high85.4Confident49 Ų4958.5 Ų58.530%0.30130%0.302SS..Hα-helixtrans-74.3-45.5176.2-59.20000112.1E88 A130 A131E88-T134 HydrophobicContact CB-CG2 3.94Å; E88-T134 HydrophobicContact CG-CG2 4.38Å; A130-T134 PolarHBondContact O-N 3.29Å; A130-T134 PolarHBondContact O-OG1 2.83Å; A130-T134 VanDerWaalsContact O-OG1 3.1Å; A131-T134 PolarHBondContact O-N 3Å
135I93.3Very high82.8Confident2 Ų263 Ų631%0.0133%0.333CS..SBendtrans-118.6111.8-178.6-56.9-61.6000111.1T87 E88 A91 A131 R132 R139 M143 F175T87-I135 HydrophobicContact CG2-CB 4.33Å; T87-I135 HydrophobicContact CG2-CG1 3.82Å; E88-I135 HydrophobicContact CB-CD1 4.46Å; E88-I135 HydrophobicContact CG-CD1 4.45Å; A91-I135 HydrophobicContact CB-CD1 3.95Å; A91-I135 HydrophobicContact CB-CG1 4.12Å; A91-I135 HydrophobicContact CB-CG2 4.4Å; A131-I135 PolarHBondContact O-N 3.1Å; R132-I135 CarbonylContact O-C 3.29Å; R132-I135 VanDerWaalsContact O-O 3.08Å; I135-R139 HydrophobicContact CG2-CG 4.37Å; I135-M143 HydrophobicContact CD1-CE 4.07Å; I135-F175 HydrophobicContact CB-CD1 4.07Å; I135-F175 HydrophobicContact CB-CE1 4.17Å; I135-F175 HydrophobicContact CG2-CB 4.03Å; I135-F175 HydrophobicContact CG2-CD1 3.32Å; I135-F175 HydrophobicContact CG2-CD2 4.45Å; I135-F175 HydrophobicContact CG2-CE1 3.77Å; I135-F175 HydrophobicContact CG2-CG 3.67Å; I135-F175 HydrophobicContact CG2-CZ 4.48Å
136P90.8Very high79.9Confident58 Ų5868 Ų6838%0.37737%0.367SS..  trans-65.6152.2179.928.3-34.9000111.2W138P136-W138 PolarHBondContact O-N 3.06Å
137R91.8Very high76.9Confident21 Ų2172.7 Ų72.78%0.07938%0.383CS..SBendtrans-57.4-30.8179.2-171.7175.4-175.9-84-10.6113.7M1 I3 R132 P174 F175 D216M1-R137 PolarHBondContact O-NH1 3.01Å; M1-R137 PolarHBondContact O-NH2 2.73Å; I3-R137 HydrophobicContact CD1-CG 3.47Å; I3-R137 VanDerWaalsContact CD1-CG 3.47Å; I3-R137 VanDerWaalsContact CD1-CZ 3.42Å; R132-R137 VanDerWaalsContact NH1-CA 3.26Å; R137-P174 CarbonylContact O-C 3.58Å; R137-P174 WeakPolarHBondContact O-CA 2.8Å; R137-F175 PolarHBondContact O-N 2.94Å; R137-D216 IonicContact CZ-OD1 2.87Å; R137-D216 VanDerWaalsContact CZ-OD1 3.31Å; R137-D216 IonicContact NE-OD1 3.96Å; R137-D216 PolarHBondContact NE-OD1 2.9Å; R137-D216 IonicContact NH2-OD1 3.53Å; R137-D216 PolarHBondContact NH2-OD1 3.46Å; R137-D216 VanDerWaalsContact NH2-OD1 3.1Å
138W88.2Confident74.1Confident97 Ų9780 Ų8037%0.36742%0.419SS..EExtended strand (participates in β ladder)trans-123.3123.2173.3-76.688.2000109.4M1 I3 P136 P174M1-W138 HydrophobicContact CB-CH2 4.49Å; M1-W138 HydrophobicContact CB-CZ2 3.85Å; M1-W138 HydrophobicContact CG-CZ2 4.17Å; M1-W138 HydrophobicContact SD-CH2 3.78Å; M1-W138 HydrophobicContact SD-CZ2 4.02Å; I3-W138 HydrophobicContact CG1-CZ2 4.29Å; P136-W138 PolarHBondContact O-N 3.06Å; W138-P174 HydrophobicContact CD2-CB 4.47Å; W138-P174 HydrophobicContact CE3-CB 4.42Å; W138-P174 HydrophobicContact CH2-CB 3.98Å; W138-P174 HydrophobicContact CH2-CG 4.06Å; W138-P174 HydrophobicContact CZ2-CB 3.99Å; W138-P174 HydrophobicContact CZ3-CB 4.22Å; W138-P174 VanDerWaalsContact CZ3-CD 3.46Å; W138-P174 HydrophobicContact CZ3-CG 4.26Å
139R84.1Confident70.9Confident19 Ų1984.3 Ų84.37%0.07245%0.449CS..EExtended strand (participates in β ladder)trans-97.4127.7178.9-60-175.4-59.6141.13.6109.7A91 I135 R170 H172 G173 F175A91-R139 PolarHBondContact O-NH1 3.08Å; I135-R139 HydrophobicContact CG2-CG 4.37Å; R139-R170 PolarHBondContact NH1-O 3.33Å; R139-R170 VanDerWaalsContact NH2-CG 3.27Å; R139-R170 PolarHBondContact NH2-O 3.09Å; R139-H172 CarbonylContact O-C 3.6Å; R139-H172 VanDerWaalsContact O-CA 3.3Å; R139-H172 WeakPolarHBondContact O-CA 3.48Å; R139-G173 PolarHBondContact N-O 3.07Å; R139-G173 PolarHBondContact O-N 3.21Å; R139-F175 HydrophobicContact CG-CB 4.25Å
140N73.2Confident67.9Low119 Ų11987.9 Ų87.964%0.63647%0.47SS*.  trans-113.5146.3172.7-65.4-21.7000108H142N140-H142 PolarHBondContact O-N 2.6Å
141S57.3Low64.9Low90 Ų9094 Ų9463%0.62950%0.5SS*.THydrogen-bonded Turntrans-61.214.9-168.451.80000117.2
142H53.1Low62.2Low174 Ų174100.9 Ų100.981%0.80654%0.536SS*.THydrogen-bonded Turntrans-93.3-5.8177.3-68.1-56.6000114.4N140 E144N140-H142 PolarHBondContact O-N 2.6Å; H142-E144 PolarHBondContact O-N 3.17Å
143M51.3Low59.3Low112 Ų112109 Ų10955%0.55257%0.574SS**SBendtrans-73.596.7164.2-97.2169.995.900107.7I135 S145I135-M143 HydrophobicContact CD1-CE 4.07Å; M143-S145 PolarHBondContact O-N 3.48Å; M143-S145 VanDerWaalsContact O-N 3.13Å
144E41.6Very low56.6Low182 Ų182111.4 Ų111.485%0.8559%0.587SS**  trans-45.7121.8164.4-71.6-178.9155.400107.6H142 C146H142-E144 PolarHBondContact O-N 3.17Å; E144-C146 PolarHBondContact O-N 2.96Å
145S43Very low53.9Low94 Ų94116.8 Ų116.866%0.65761%0.613SS**  trans-49.6116.3167.951.40000106.9M143 K147M143-S145 PolarHBondContact O-N 3.48Å; M143-S145 VanDerWaalsContact O-N 3.13Å; S145-K147 PolarHBondContact O-N 3.26Å
146C36.2Very low51.5Low116 Ų116121.1 Ų121.178%0.78464%0.636SS**  trans-51.7101161.5-82.70000105.9E144 M148E144-C146 PolarHBondContact O-N 2.96Å; C146-M148 VanDerWaalsContact C-N 3.29Å; C146-M148 PolarHBondContact O-N 3.04Å
147K34.5Very low49.2Very low188 Ų188128.5 Ų128.582%0.81766%0.662SS**  trans-64.7101167.9-69-178.2-179.9177.80103.7S145 S149S145-K147 PolarHBondContact O-N 3.26Å; K147-S149 PolarHBondContact O-N 3.17Å; K147-S149 VanDerWaalsContact O-N 3.15Å
148M40.3Very low46.9Very low152 Ų152134.4 Ų134.475%0.74970%0.695SS**  trans-53.8121.8152.3-90.217457.400104.7C146 D150C146-M148 VanDerWaalsContact C-N 3.29Å; C146-M148 PolarHBondContact O-N 3.04Å; M148-D150 PolarHBondContact O-N 3.11Å
149S31.9Very low44.6Very low91 Ų91134.8 Ų134.864%0.63670%0.704SS**  trans-53.4102.1178.8460000109.1K147 D151K147-S149 PolarHBondContact O-N 3.17Å; K147-S149 VanDerWaalsContact O-N 3.15Å; S149-D151 PolarHBondContact O-N 3.33Å
150D34.7Very low42.6Very low148 Ų148143.2 Ų143.279%0.79174%0.742SS**  trans-72.473.2160.4-70.8-34.1000107M148 I152M148-D150 PolarHBondContact O-N 3.11Å; D150-I152 PolarHBondContact O-N 3.02Å
151D33.9Very low41.1Very low150 Ų150142.7 Ų142.780%0.80274%0.738SS**  trans-7850.3164.5-72.8-27000109.6S149S149-D151 PolarHBondContact O-N 3.33Å
152I42Very low40.1Very low146 Ų146140.6 Ų140.675%0.74973%0.731SS**SBendtrans-118.5103.7164.8-61.2-179.2000105.7D150 D154D150-I152 PolarHBondContact O-N 3.02Å; I152-D154 PolarHBondContact O-N 3.45Å
153E35.2Very low39.6Very low176 Ų176138.3 Ų138.382%0.82273%0.725SS**  trans-48.6123.7172-73-177.8150.200110.4L155E153-L155 PolarHBondContact O-N 2.94Å
154D37Very low39.4Very low155 Ų155139.9 Ų139.983%0.82973%0.729SS**  trans-70.187.4-174.4-151.3-3.8000110.1I152I152-D154 PolarHBondContact O-N 3.45Å
155L37.8Very low40Very low162 Ų162137.5 Ų137.585%0.84872%0.716SS**  trans-113.246.5169.7-84.6165.8000110.4E153E153-L155 PolarHBondContact O-N 2.94Å
156D43.8Very low40.5Very low94 Ų94140.7 Ų140.750%0.50372%0.718SS.*  trans-150.792.4165.3-146.8-8.2000114.3N158D156-N158 PolarHBondContact O-N 2.69Å
157K42.6Very low41.5Very low212 Ų212138.7 Ų138.792%0.92271%0.705SS**THydrogen-bonded Turntrans-67.811.2178.7-81.9-175.9176.1176.70115.1
158N43.5Very low43.2Very low145 Ų145130.8 Ų130.878%0.77567%0.671SS**THydrogen-bonded Turntrans-123.910.2-175.4-79.9-33.5000116D156 K160D156-N158 PolarHBondContact O-N 2.69Å; N158-K160 PolarHBondContact O-N 2.97Å; N158-K160 VanDerWaalsContact O-N 3.17Å
159N38.9Very low44.8Very low105 Ų105126.5 Ų126.556%0.56165%0.654SS**  trans-89.391.7-167.6-141-12.8000114.5L161N159-L161 PolarHBondContact O-N 3.45Å; N159-L161 VanDerWaalsContact OD1-CB 3.31Å; N159-L161 WeakPolarHBondContact OD1-CB 3.5Å
160K43.1Very low47.1Very low196 Ų196124 Ų12485%0.85263%0.631SS**THydrogen-bonded Turntrans-59.2-9.6169.1-79.1-177.9178.2176.50114N158N158-K160 PolarHBondContact O-N 2.97Å; N158-K160 VanDerWaalsContact O-N 3.17Å
161L42.5Very low48.9Very low108 Ų108120.3 Ų120.357%0.56562%0.616SS**THydrogen-bonded Turntrans-73.6-32.3-174.7-141.575.8000113.4N159 N163 K164N159-L161 PolarHBondContact O-N 3.45Å; N159-L161 VanDerWaalsContact OD1-CB 3.31Å; N159-L161 WeakPolarHBondContact OD1-CB 3.5Å; L161-N163 VanDerWaalsContact C-N 3.3Å; L161-N163 PolarHBondContact O-N 3.21Å; L161-K164 WeakPolarHBondContact O-CB 3.23Å; L161-K164 PolarHBondContact O-N 3.14Å; L161-K164 VanDerWaalsContact O-N 3.08Å
162G35.4Very low51.2Low47 Ų47118.9 Ų118.949%0.48561%0.605SS.*Hα-helixtrans-64.6-29.9-178.200000114.3K164G162-K164 VanDerWaalsContact C-N 3.31Å; G162-K164 PolarHBondContact O-N 3.03Å
163N42Very low53.2Low126 Ų126112.6 Ų112.667%0.67458%0.575SS**Hα-helixtrans-72.6-23.7175.2-82.9-13.2000113L161 S167L161-N163 VanDerWaalsContact C-N 3.3Å; L161-N163 PolarHBondContact O-N 3.21Å; N163-S167 PolarHBondContact O-N 3.3Å
164K47.8Very low55.8Low144 Ų144105.2 Ų105.263%0.62654%0.543SS*.Hα-helixtrans-74.9-35.3-175.5-157177.6-176.2-178.60112.2L161 G162 S167 I168L161-K164 WeakPolarHBondContact O-CB 3.23Å; L161-K164 PolarHBondContact O-N 3.14Å; L161-K164 VanDerWaalsContact O-N 3.08Å; G162-K164 VanDerWaalsContact C-N 3.31Å; G162-K164 PolarHBondContact O-N 3.03Å; K164-S167 PolarHBondContact O-OG 2.83Å; K164-I168 WeakPolarHBondContact O-CG1 3.44Å
165F53.1Low58.5Low133 Ų13397.8 Ų97.858%0.58350%0.503SS*.Hα-helixtrans-72.9-40.5175.8-89-83.7000112.4S167 I168 T169F165-S167 PolarHBondContact O-N 2.95Å; F165-I168 PolarHBondContact O-N 2.99Å; F165-I168 VanDerWaalsContact O-N 3.1Å; F165-T169 PolarHBondContact O-N 3.14Å
166K53.7Low61.3Low160 Ų16090.1 Ų90.170%0.69646%0.463SS*.Hα-helixtrans-60.2-28.8175.5-75.7-175.2179.2175.90113.3I168 T169K166-I168 VanDerWaalsContact C-N 3.33Å; K166-T169 PolarHBondContact O-OG1 3.28Å
167S59Low63.9Low75 Ų7585.6 Ų85.652%0.52444%0.439SS..THydrogen-bonded Turntrans-78.9-16.1178.282.50000114.1N163 K164 F165N163-S167 PolarHBondContact O-N 3.3Å; K164-S167 PolarHBondContact O-OG 2.83Å; F165-S167 PolarHBondContact O-N 2.95Å
168I68.9Low66.5Low21 Ų2175.5 Ų75.511%0.10840%0.395CS..THydrogen-bonded Turntrans-89.6-29.2-179.5-62169.1000110.9T64 P66 R69 Y93 K164 F165 K166 R170T64-I168 HydrophobicContact CG2-CG2 3.74Å; P66-I168 HydrophobicContact CG-CG1 4.08Å; R69-I168 PolarHBondContact NH2-O 2.95Å; Y93-I168 HydrophobicContact CD1-CG2 4.05Å; K164-I168 WeakPolarHBondContact O-CG1 3.44Å; F165-I168 PolarHBondContact O-N 2.99Å; F165-I168 VanDerWaalsContact O-N 3.1Å; K166-I168 VanDerWaalsContact C-N 3.33Å; I168-R170 PolarHBondContact O-N 3.33Å
169T75Confident69.1Low63 Ų6368.6 Ų68.639%0.38736%0.358SS..  trans-68.3128.6-176.855.80000111.3P92 Y93 F165 K166P92-T169 HydrophobicContact CB-CG2 4.14Å; P92-T169 CarbonylContact O-C 3.6Å; P92-T169 WeakPolarHBondContact O-CA 3.37Å; Y93-T169 HydrophobicContact CD1-CG2 4.36Å; Y93-T169 HydrophobicContact CE1-CG2 3.71Å; F165-T169 PolarHBondContact O-N 3.14Å; K166-T169 PolarHBondContact O-OG1 3.28Å
170R79.3Confident72Confident39 Ų3964.5 Ų64.515%0.14734%0.335CS..  trans-105.1114.8177.8-170.7-180172.4-104.33.9107.4P92 D95 R139 I168 H172 G173 P174P92-R170 WeakPolarHBondContact O-CB 3.29Å; P92-R170 PolarHBondContact O-N 2.91Å; D95-R170 IonicContact OD1-CZ 3.31Å; D95-R170 IonicContact OD1-NE 2.65Å; D95-R170 PolarHBondContact OD1-NE 3.15Å; D95-R170 IonicContact OD1-NH2 3.1Å; R139-R170 PolarHBondContact NH1-O 3.33Å; R139-R170 VanDerWaalsContact NH2-CG 3.27Å; R139-R170 PolarHBondContact NH2-O 3.09Å; I168-R170 PolarHBondContact O-N 3.33Å; R170-H172 WeakPolarHBondContact CG-O 3.44Å; R170-H172 PolarHBondContact NE-O 3.22Å; R170-H172 PolarHBondContact NH2-O 3.23Å; R170-G173 VanDerWaalsContact NH2-C 3.25Å; R170-P174 PolarHBondContact NH1-O 3.09Å; R170-P174 VanDerWaalsContact NH2-N 3.1Å; R170-P174 PolarHBondContact NH2-O 3.17Å
171S73Confident74.6Confident69 Ų6955.1 Ų55.148%0.48330%0.295SS..  trans-100.3-10179.554.10000113.5
172H80.9Confident77.3Confident121 Ų12150.8 Ų50.856%0.5627%0.271SS*.SBendtrans-137.7162-174.361.982.5000113.1R139 R170R139-H172 CarbonylContact O-C 3.6Å; R139-H172 VanDerWaalsContact O-CA 3.3Å; R139-H172 WeakPolarHBondContact O-CA 3.48Å; R170-H172 WeakPolarHBondContact CG-O 3.44Å; R170-H172 PolarHBondContact NE-O 3.22Å; R170-H172 PolarHBondContact NH2-O 3.23Å
173G84.8Confident80.3Confident13 Ų1348.7 Ų48.713%0.13425%0.248CC..EExtended strand (participates in β ladder)trans98.4-176.1172.100000114.1R139 R170R139-G173 PolarHBondContact N-O 3.07Å; R139-G173 PolarHBondContact O-N 3.21Å; R170-G173 VanDerWaalsContact NH2-C 3.25Å
174P90.1Very high82.8Confident21 Ų2142.9 Ų42.914%0.13622%0.218CC..EExtended strand (participates in β ladder)trans-65.6138.4-174.926.5-35.8000111.9I3 R137 W138 R170I3-P174 HydrophobicContact CB-CB 4.3Å; I3-P174 HydrophobicContact CD1-CB 3.45Å; I3-P174 VanDerWaalsContact CD1-CB 3.45Å; I3-P174 HydrophobicContact CG1-CB 3.45Å; I3-P174 VanDerWaalsContact CG1-CB 3.45Å; I3-P174 HydrophobicContact CG2-CB 3.9Å; I3-P174 HydrophobicContact CG2-CG 4.47Å; R137-P174 CarbonylContact O-C 3.58Å; R137-P174 WeakPolarHBondContact O-CA 2.8Å; W138-P174 HydrophobicContact CD2-CB 4.47Å; W138-P174 HydrophobicContact CE3-CB 4.42Å; W138-P174 HydrophobicContact CH2-CB 3.98Å; W138-P174 HydrophobicContact CH2-CG 4.06Å; W138-P174 HydrophobicContact CZ2-CB 3.99Å; W138-P174 HydrophobicContact CZ3-CB 4.22Å; W138-P174 VanDerWaalsContact CZ3-CD 3.46Å; W138-P174 HydrophobicContact CZ3-CG 4.26Å; R170-P174 PolarHBondContact NH1-O 3.09Å; R170-P174 VanDerWaalsContact NH2-N 3.1Å; R170-P174 PolarHBondContact NH2-O 3.17Å
175F94.4Very high84.9Confident0 Ų038.2 Ų38.20%020%0.201CC..  trans-123.3117.3172.2-170.7-95.8000110.4T87 A91 D95 I97 R132 I135 R137 R139 I177T87-F175 HydrophobicContact CG2-CE1 3.77Å; T87-F175 HydrophobicContact CG2-CZ 4.1Å; A91-F175 HydrophobicContact CB-CD2 4.42Å; A91-F175 HydrophobicContact CB-CE2 3.84Å; A91-F175 HydrophobicContact CB-CZ 3.91Å; D95-F175 WeakPolarHBondContact O-CA 3.37Å; I97-F175 HydrophobicContact CD1-CZ 4.34Å; I97-F175 HydrophobicContact CG1-CE1 4.12Å; I97-F175 HydrophobicContact CG1-CZ 3.74Å; R132-F175 PolarHBondContact NH1-O 2.97Å; I135-F175 HydrophobicContact CB-CD1 4.07Å; I135-F175 HydrophobicContact CB-CE1 4.17Å; I135-F175 HydrophobicContact CG2-CB 4.03Å; I135-F175 HydrophobicContact CG2-CD1 3.32Å; I135-F175 HydrophobicContact CG2-CD2 4.45Å; I135-F175 HydrophobicContact CG2-CE1 3.77Å; I135-F175 HydrophobicContact CG2-CG 3.67Å; I135-F175 HydrophobicContact CG2-CZ 4.48Å; R137-F175 PolarHBondContact O-N 2.94Å; R139-F175 HydrophobicContact CG-CB 4.25Å; F175-I177 HydrophobicContact CE1-CG1 4.45Å
176S96.1Very high86.3Confident0 Ų035 Ų350%019%0.193CC..EExtended strand (participates in β ladder)trans-90.3143.8-171.2-41.50000111.9I3 Y7 D95 G96 I97 D216 W217I3-S176 WeakPolarHBondContact CG2-OG 3.42Å; Y7-S176 PolarHBondContact OH-OG 3.02Å; D95-S176 PolarHBondContact O-N 3.26Å; D95-S176 PolarHBondContact O-OG 2.83Å; G96-S176 CarbonylContact C-O 3.58Å; G96-S176 WeakPolarHBondContact CA-O 3.27Å; I97-S176 PolarHBondContact N-O 2.95Å; S176-D216 WeakPolarHBondContact CA-OD2 3.32Å; S176-W217 WeakPolarHBondContact OG-CH2 3.46Å; S176-W217 WeakPolarHBondContact OG-CZ3 3.26Å
177I97.4Very high87.1Confident0 Ų029 Ų290%017%0.171CC..EExtended strand (participates in β ladder)trans-121.3131.2163.4-63.3175.4000107.1I97 V128 A131 R132 F175 V215 D216I97-I177 CarbonylContact O-C 3.37Å; I97-I177 WeakPolarHBondContact O-CA 3.48Å; V128-I177 HydrophobicContact CG1-CG2 4.21Å; A131-I177 VanDerWaalsContact C-CD1 3.48Å; A131-I177 HydrophobicContact CB-CD1 3.74Å; R132-I177 VanDerWaalsContact CA-CD1 3.46Å; R132-I177 HydrophobicContact CB-CD1 3.81Å; R132-I177 VanDerWaalsContact N-CD1 3.31Å; F175-I177 HydrophobicContact CE1-CG1 4.45Å; I177-V215 HydrophobicContact CG2-CG1 4.46Å; I177-V215 CarbonylContact O-C 3.6Å; I177-V215 WeakPolarHBondContact O-CA 3.34Å; I177-D216 PolarHBondContact N-OD2 3.28Å; I177-D216 PolarHBondContact O-N 2.86Å
178S98.3Very high87.3Confident0 Ų030.7 Ų30.70%017%0.174CC..EExtended strand (participates in β ladder)trans-136.3168.7-179.955.20000111.3I97 D98 L99 W217I97-S178 PolarHBondContact O-N 2.95Å; I97-S178 PolarHBondContact O-OG 3.12Å; D98-S178 CarbonylContact C-O 3.49Å; D98-S178 WeakPolarHBondContact CA-O 3.34Å; D98-S178 WeakPolarHBondContact CB-OG 3.07Å; D98-S178 VanDerWaalsContact OD1-C 3.32Å; D98-S178 PolarHBondContact OD1-OG 2.95Å; L99-S178 PolarHBondContact N-O 2.86Å; S178-W217 VanDerWaalsContact CB-CD1 3.44Å; S178-W217 PolarHBondContact OG-NE1 3.05Å
179A98.7Very high86.7Confident0 Ų036 Ų360%019%0.192CC..EExtended strand (participates in β ladder)trans-135.5138.1172.700000110.9D98 L99 L210 V218 T219D98-A179 VanDerWaalsContact OD1-CA 3.26Å; D98-A179 WeakPolarHBondContact OD1-CA 3.34Å; D98-A179 PolarHBondContact OD1-N 3.22Å; L99-A179 HydrophobicContact CB-CB 4.36Å; A179-L210 HydrophobicContact CB-CD1 4Å; A179-V218 WeakPolarHBondContact O-CA 3.36Å; A179-T219 PolarHBondContact O-N 3.14Å
180K98.8Very high85.4Confident18 Ų1839.1 Ų39.18%0.07822%0.217CC..EExtended strand (participates in β ladder)trans-105.9110.9171.9-172.4176.7-163.6-57.50110.2P20 D98 L99 C101 G102 T219 N260 M282P20-K180 HydrophobicContact CG-CD 4.07Å; D98-K180 PolarHBondContact OD1-N 2.89Å; D98-K180 VanDerWaalsContact OD1-N 3.12Å; D98-K180 WeakPolarHBondContact OD2-CB 3.37Å; L99-K180 PolarHBondContact O-N 3.39Å; C101-K180 CarbonylContact C-O 3.42Å; C101-K180 WeakPolarHBondContact CA-O 3.28Å; C101-K180 WeakPolarHBondContact CB-O 3.33Å; C101-K180 PolarHBondContact N-O 3.29Å; G102-K180 PolarHBondContact N-O 2.75Å; K180-T219 WeakPolarHBondContact CA-O 3.48Å; K180-T219 HydrophobicContact CD-CG2 4.45Å; K180-T219 HydrophobicContact CG-CG2 4.02Å; K180-N260 PolarHBondContact NZ-OD1 3.15Å; K180-M282 HydrophobicContact CD-SD 3.95Å; K180-M282 WeakPolarHBondContact CE-SD 3.44Å
181I98.6Very high83.9Confident0 Ų041.8 Ų41.80%024%0.237CC..EExtended strand (participates in β ladder)trans-109.7168.5-177.161.5167.9000111.7C101 L118 T203 L206 V207 V218 T219 L220 H221C101-I181 HydrophobicContact CB-CB 4.47Å; C101-I181 HydrophobicContact CB-CG2 3.72Å; L118-I181 HydrophobicContact CD2-CB 4.12Å; L118-I181 HydrophobicContact CD2-CG2 4.18Å; I181-T203 HydrophobicContact CD1-CG2 4.28Å; I181-L206 HydrophobicContact CD1-CD2 4.27Å; I181-L206 HydrophobicContact CG2-CD2 4.02Å; I181-V207 HydrophobicContact CD1-CG2 4.05Å; I181-V218 HydrophobicContact CD1-CG1 3.82Å; I181-V218 HydrophobicContact CG1-CG1 3.8Å; I181-T219 WeakPolarHBondContact CG1-O 3.4Å; I181-T219 PolarHBondContact N-O 3.39Å; I181-L220 HydrophobicContact CD1-CD1 3.93Å; I181-L220 HydrophobicContact CG1-CD1 3.8Å; I181-H221 WeakPolarHBondContact O-CB 3.44Å; I181-H221 PolarHBondContact O-N 3.34Å
182R98.2Very high82.3Confident16 Ų1641 Ų416%0.0624%0.241CC..EExtended strand (participates in β ladder)trans-112.3170.2160.2-87.4-173.5-179.2-134.2-1.9108.7G102 L118 P184 H221 R223 T224 P225 Q227G102-R182 VanDerWaalsContact O-CD 3.25Å; G102-R182 WeakPolarHBondContact O-CD 3.31Å; G102-R182 PolarHBondContact O-NE 2.93Å; G102-R182 VanDerWaalsContact O-NE 3.07Å; L118-R182 HydrophobicContact CD1-CB 3.94Å; R182-P184 WeakPolarHBondContact O-CD 3.43Å; R182-H221 HydrophobicContact CG-CB 3.93Å; R182-H221 PolarHBondContact NH2-CE1 2.9Å; R182-H221 PolarHBondContact NH2-ND1 3.26Å; R182-R223 WeakPolarHBondContact CB-O 3.48Å; R182-R223 WeakPolarHBondContact CG-O 3.3Å; R182-T224 PolarHBondContact NH1-O 2.99Å; R182-P225 HydrophobicContact CB-CG 4.43Å; R182-Q227 PolarHBondContact NH1-O 2.89Å
183I97.7Very high80.3Confident4 Ų445.4 Ų45.42%0.02126%0.261CS..  trans-66.9109.6176.1-57.5170.2000109.1P199 L220 R223 T224 P225 V237I183-P199 HydrophobicContact CG2-CB 3.64Å; I183-L220 HydrophobicContact CG1-CD1 3.97Å; I183-L220 HydrophobicContact CG1-CD2 4.48Å; I183-R223 PolarHBondContact N-O 2.9Å; I183-T224 HydrophobicContact CB-CG2 4.15Å; I183-T224 HydrophobicContact CG2-CG2 4.28Å; I183-T224 WeakPolarHBondContact O-CA 3.45Å; I183-P225 VanDerWaalsContact O-CD 3.27Å; I183-P225 WeakPolarHBondContact O-CD 3.29Å; I183-V237 HydrophobicContact CD1-CB 4.07Å; I183-V237 HydrophobicContact CD1-CG1 4.05Å; I183-V237 HydrophobicContact CD1-CG2 4.07Å; I183-V237 HydrophobicContact CG1-CG1 4.13Å; I183-V237 HydrophobicContact CG2-CG1 4.5Å
184P95.8Very high78.5Confident4 Ų448.6 Ų48.63%0.02630%0.295CS..  trans-62.6142.6175.426.7-37000111.8L118 R182 L202 T203L118-P184 HydrophobicContact CB-CB 4.33Å; R182-P184 WeakPolarHBondContact O-CD 3.43Å; P184-L202 HydrophobicContact CB-CB 4.09Å; P184-L202 HydrophobicContact CB-CD1 4.4Å; P184-L202 HydrophobicContact CG-CB 3.6Å; P184-T203 WeakPolarHBondContact CD-OG1 3.47Å
185T91.4Very high76.6Confident45 Ų4554.5 Ų54.528%0.27632%0.324SS..  trans-118.6-9.9-179.6500000113.8T224 Q226T185-T224 HydrophobicContact CG2-CG2 3.45Å; T185-T224 VanDerWaalsContact CG2-CG2 3.45Å; T185-Q226 PolarHBondContact OG1-OE1 3.38Å
186T82.9Confident74.7Confident67 Ų6760.2 Ų60.241%0.41136%0.364SS..  trans-143.6147.4-176.756.30000110.2
187S69.4Low73.5Confident34 Ų3462.3 Ų62.324%0.23838%0.378CS..  trans-121.9139169.4-172.80000109.5R189S187-R189 PolarHBondContact O-N 3.46Å; S187-R189 PolarHBondContact OG-N 3.37Å
188N64.9Low73.1Confident109 Ų10965.4 Ų65.458%0.58340%0.395SS*.  trans-74.61.6172.2-74.9-6.5000113.3K119 S190K119-N188 PolarHBondContact O-ND2 3.21Å; N188-S190 PolarHBondContact O-N 3.41Å
189R55.8Low72.8Confident133 Ų13367.8 Ų67.850%0.50241%0.41SS..SBendtrans-63.4133.1175.1-77.9-177.5165.3179-10.6109.3S187 V191 R209S187-R189 PolarHBondContact O-N 3.46Å; S187-R189 PolarHBondContact OG-N 3.37Å; R189-V191 HydrophobicContact CB-CG2 3.87Å; R189-V191 WeakPolarHBondContact O-CG2 3.48Å; R189-V191 PolarHBondContact O-N 2.88Å; R189-R209 VanDerWaalsContact CZ-NH2 3.26Å
190S46.5Very low72.5Confident129 Ų12968.8 Ų68.890%0.90242%0.415SS*.  trans-64.531.5176.9-40.60000114.5N188 G192N188-S190 PolarHBondContact O-N 3.41Å; S190-G192 PolarHBondContact O-N 2.69Å
191V47.6Very low72.3Confident94 Ų9475 Ų7557%0.5744%0.442SS*.SBendtrans-72.2113.7161.8-101.80000105.7R189R189-V191 HydrophobicContact CB-CG2 3.87Å; R189-V191 WeakPolarHBondContact O-CG2 3.48Å; R189-V191 PolarHBondContact O-N 2.88Å
192G40.7Very low72.2Confident54 Ų5476.4 Ų76.456%0.55745%0.45SS*.  trans-36.6137.9-165.200000115.1S190 G194S190-G192 PolarHBondContact O-N 2.69Å; G192-G194 PolarHBondContact O-N 3.45Å
193E37.6Very low72.1Confident212 Ų21275.6 Ų75.699%0.99145%0.447SS*.THydrogen-bonded Turntrans-41.4106.9170.4-67.4-179.3154.200109.8
194G47.6Very low72.1Confident81 Ų8175.9 Ų75.984%0.83545%0.449SS*.THydrogen-bonded Turntrans141.3-18.4173.400000117.9G192 S196G192-G194 PolarHBondContact O-N 3.45Å; G194-S196 PolarHBondContact O-N 3.25Å
195L49.5Very low72.1Confident145 Ų14578.8 Ų78.876%0.75946%0.462SS*.  trans-88.4109.3172.5-82.4124.4000110.6C197L195-C197 PolarHBondContact O-N 3.38Å
196S55.7Low72.4Confident120 Ų12076.8 Ų76.884%0.83945%0.45SS*.  trans-52.4105.8168.860.10000109G194 D198G194-S196 PolarHBondContact O-N 3.25Å; S196-D198 PolarHBondContact O-N 3.17Å
197C69.7Low73.1Confident44 Ų4473.6 Ų73.630%0.29743%0.43SS..  trans-69.7123176.1-75.40000108.3L195 P199 L202L195-C197 PolarHBondContact O-N 3.38Å; C197-P199 VanDerWaalsContact O-CD 3.3Å; C197-P199 WeakPolarHBondContact O-CD 3.39Å; C197-L202 HydrophobicContact CB-CD1 3.68Å; C197-L202 HydrophobicContact CB-CD2 3.97Å; C197-L202 HydrophobicContact CB-CG 3.88Å
198D88.9Confident74.4Confident65 Ų6578 Ų7835%0.34844%0.441SS..  trans-56.1115.8176.2-1782.3000110.3S196 I200 K201 L202S196-D198 PolarHBondContact O-N 3.17Å; D198-I200 PolarHBondContact O-N 3.2Å; D198-I200 WeakPolarHBondContact OD1-CG2 3.5Å; D198-I200 PolarHBondContact OD1-N 3.39Å; D198-K201 HydrophobicContact CB-CB 4.15Å; D198-K201 HydrophobicContact CB-CD 3.83Å; D198-K201 HydrophobicContact CB-CG 3.91Å; D198-K201 WeakPolarHBondContact O-CB 3.5Å; D198-K201 PolarHBondContact O-N 3.05Å; D198-K201 VanDerWaalsContact OD2-CE 3.27Å; D198-K201 WeakPolarHBondContact OD2-CE 3.4Å; D198-K201 WeakPolarHBondContact OD2-CG 3.37Å; D198-K201 IonicContact OD2-NZ 3.61Å; D198-L202 PolarHBondContact O-N 2.87Å; D198-L202 VanDerWaalsContact O-N 3.14Å
199P92.1Very high76Confident50 Ų5074.5 Ų74.533%0.32542%0.42SS..Hα-helixtrans-56.6-35-174.2-27.335.4000113.8I183 C197 L202 T203I183-P199 HydrophobicContact CG2-CB 3.64Å; C197-P199 VanDerWaalsContact O-CD 3.3Å; C197-P199 WeakPolarHBondContact O-CD 3.39Å; P199-L202 PolarHBondContact O-N 3.04Å; P199-T203 WeakPolarHBondContact O-CB 3.49Å; P199-T203 PolarHBondContact O-N 3.28Å; P199-T203 PolarHBondContact O-OG1 2.68Å
200I94.3Very high78Confident21 Ų2168.1 Ų68.111%0.10840%0.396CS..Hα-helixtrans-67.3-41.1177179.663.3000110.8D198 L202 T203 V204 V237 E240 L241D198-I200 PolarHBondContact O-N 3.2Å; D198-I200 WeakPolarHBondContact OD1-CG2 3.5Å; D198-I200 PolarHBondContact OD1-N 3.39Å; I200-L202 VanDerWaalsContact C-N 3.33Å; I200-L202 PolarHBondContact O-N 2.95Å; I200-T203 WeakPolarHBondContact O-CB 3.39Å; I200-T203 PolarHBondContact O-N 3.32Å; I200-T203 VanDerWaalsContact O-N 3.12Å; I200-V204 HydrophobicContact CD1-CG2 3.84Å; I200-V204 HydrophobicContact CG1-CG2 4.08Å; I200-V204 WeakPolarHBondContact O-CB 3.46Å; I200-V204 VanDerWaalsContact O-CG2 3.31Å; I200-V204 WeakPolarHBondContact O-CG2 3.24Å; I200-V204 PolarHBondContact O-N 2.7Å; I200-V237 HydrophobicContact CD1-CG1 3.89Å; I200-E240 HydrophobicContact CD1-CB 3.75Å; I200-E240 HydrophobicContact CG1-CB 3.99Å; I200-L241 HydrophobicContact CD1-CB 4.4Å
201K94.4Very high80.4Confident147 Ų14762 Ų6264%0.63935%0.353SS*.Hα-helixtrans-61.1-42.6176.9-67-178.5-169.6166.60111.8D198 T203 E205D198-K201 HydrophobicContact CB-CB 4.15Å; D198-K201 HydrophobicContact CB-CD 3.83Å; D198-K201 HydrophobicContact CB-CG 3.91Å; D198-K201 WeakPolarHBondContact O-CB 3.5Å; D198-K201 PolarHBondContact O-N 3.05Å; D198-K201 VanDerWaalsContact OD2-CE 3.27Å; D198-K201 WeakPolarHBondContact OD2-CE 3.4Å; D198-K201 WeakPolarHBondContact OD2-CG 3.37Å; D198-K201 IonicContact OD2-NZ 3.61Å; K201-T203 VanDerWaalsContact C-N 3.33Å; K201-E205 WeakPolarHBondContact O-CB 3.27Å; K201-E205 PolarHBondContact O-N 3.05Å
202L95.2Very high82.7Confident30 Ų3062.1 Ų62.116%0.15735%0.354CS..Hα-helixtrans-63-41.3175.2-66.4-177.7000111.8P184 C197 D198 P199 I200 L206P184-L202 HydrophobicContact CB-CB 4.09Å; P184-L202 HydrophobicContact CB-CD1 4.4Å; P184-L202 HydrophobicContact CG-CB 3.6Å; C197-L202 HydrophobicContact CB-CD1 3.68Å; C197-L202 HydrophobicContact CB-CD2 3.97Å; C197-L202 HydrophobicContact CB-CG 3.88Å; D198-L202 PolarHBondContact O-N 2.87Å; D198-L202 VanDerWaalsContact O-N 3.14Å; P199-L202 PolarHBondContact O-N 3.04Å; I200-L202 VanDerWaalsContact C-N 3.33Å; I200-L202 PolarHBondContact O-N 2.95Å; L202-L206 WeakPolarHBondContact O-CB 3.39Å; L202-L206 PolarHBondContact O-N 3.4Å
203T97Very high85.4Confident0 Ų061.7 Ų61.70%034%0.338CS..Hα-helixtrans-63.3-50.4178-53.30000111I181 P184 P199 I200 K201 E205 L206 V207 L220 L241I181-T203 HydrophobicContact CD1-CG2 4.28Å; P184-T203 WeakPolarHBondContact CD-OG1 3.47Å; P199-T203 WeakPolarHBondContact O-CB 3.49Å; P199-T203 PolarHBondContact O-N 3.28Å; P199-T203 PolarHBondContact O-OG1 2.68Å; I200-T203 WeakPolarHBondContact O-CB 3.39Å; I200-T203 PolarHBondContact O-N 3.32Å; I200-T203 VanDerWaalsContact O-N 3.12Å; K201-T203 VanDerWaalsContact C-N 3.33Å; T203-E205 PolarHBondContact O-N 2.83Å; T203-L206 PolarHBondContact O-N 3.01Å; T203-V207 WeakPolarHBondContact O-CG2 3.49Å; T203-V207 PolarHBondContact O-N 3.44Å; T203-L220 HydrophobicContact CG2-CD1 4.3Å; T203-L220 HydrophobicContact CG2-CD2 4.07Å; T203-L241 HydrophobicContact CG2-CD1 4.45Å; T203-L241 HydrophobicContact CG2-CD2 4.08Å
204V97Very high88.1Confident10 Ų1051.6 Ų51.66%0.06129%0.29CS..Hα-helixtrans-60.5-44.4179.6169.20000111.2I200 V207 R208 L241 C244 I246I200-V204 HydrophobicContact CD1-CG2 3.84Å; I200-V204 HydrophobicContact CG1-CG2 4.08Å; I200-V204 WeakPolarHBondContact O-CB 3.46Å; I200-V204 VanDerWaalsContact O-CG2 3.31Å; I200-V204 WeakPolarHBondContact O-CG2 3.24Å; I200-V204 PolarHBondContact O-N 2.7Å; V204-V207 PolarHBondContact O-N 2.89Å; V204-R208 WeakPolarHBondContact O-CB 3.31Å; V204-R208 WeakPolarHBondContact O-CG 3.41Å; V204-R208 PolarHBondContact O-N 3.33Å; V204-L241 HydrophobicContact CG2-CD1 3.97Å; V204-C244 HydrophobicContact CG2-CB 4.48Å; V204-C244 VanDerWaalsContact CG2-SG 3.55Å; V204-I246 HydrophobicContact CG1-CD1 4.23Å
205E95.9Very high90.5Very high64 Ų6447.7 Ų47.730%0.29925%0.251SS..Hα-helixtrans-61.5-44.4176.9173.860-169.400112K201 T203 R208 R209K201-E205 WeakPolarHBondContact O-CB 3.27Å; K201-E205 PolarHBondContact O-N 3.05Å; T203-E205 PolarHBondContact O-N 2.83Å; E205-R208 PolarHBondContact O-N 3.04Å; E205-R209 WeakPolarHBondContact O-CG 3.4Å; E205-R209 PolarHBondContact O-N 2.82Å; E205-R209 VanDerWaalsContact O-N 3.11Å; E205-R209 IonicContact OE1-CZ 3.58Å; E205-R209 VanDerWaalsContact OE1-CZ 3.25Å; E205-R209 IonicContact OE1-NE 3.23Å; E205-R209 PolarHBondContact OE1-NE 2.8Å; E205-R209 IonicContact OE1-NH2 2.65Å; E205-R209 PolarHBondContact OE1-NH2 3.33Å
206L97.3Very high92.7Very high4 Ų440.9 Ų40.92%0.02122%0.215CC..Hα-helixtrans-61.7-46.2176.2176.258.1000111.3L118 P121 I124 I181 L202 T203 R208 R209 L210L118-L206 HydrophobicContact CD2-CD2 3.78Å; P121-L206 HydrophobicContact CB-CD1 4Å; I124-L206 HydrophobicContact CB-CD1 4.29Å; I124-L206 HydrophobicContact CD1-CD1 3.8Å; I124-L206 HydrophobicContact CD1-CD2 4.13Å; I124-L206 HydrophobicContact CG2-CD1 4.34Å; I181-L206 HydrophobicContact CD1-CD2 4.27Å; I181-L206 HydrophobicContact CG2-CD2 4.02Å; L202-L206 WeakPolarHBondContact O-CB 3.39Å; L202-L206 PolarHBondContact O-N 3.4Å; T203-L206 PolarHBondContact O-N 3.01Å; L206-R208 PolarHBondContact O-N 3.27Å; L206-R209 WeakPolarHBondContact O-CB 3.5Å; L206-R209 PolarHBondContact O-N 3.02Å; L206-L210 HydrophobicContact CD1-CD1 4.24Å; L206-L210 HydrophobicContact CD1-CG 4.26Å; L206-L210 HydrophobicContact CG-CD1 4.16Å; L206-L210 WeakPolarHBondContact O-CG 3.44Å; L206-L210 PolarHBondContact O-N 3.15Å
207V98.2Very high94.8Very high0 Ų035.1 Ų35.10%018%0.175CC..Hα-helixtrans-66.1-37.8-179.7176.30000111.7I181 T203 V204 R209 L210 A211 V218 L241 I246 I255 I257I181-V207 HydrophobicContact CD1-CG2 4.05Å; T203-V207 WeakPolarHBondContact O-CG2 3.49Å; T203-V207 PolarHBondContact O-N 3.44Å; V204-V207 PolarHBondContact O-N 2.89Å; V207-R209 PolarHBondContact O-N 3.12Å; V207-L210 PolarHBondContact O-N 3Å; V207-A211 WeakPolarHBondContact O-CB 3.36Å; V207-A211 PolarHBondContact O-N 3.34Å; V207-V218 HydrophobicContact CG1-CG2 4.17Å; V207-V218 HydrophobicContact CG2-CB 4.47Å; V207-V218 HydrophobicContact CG2-CG1 4.08Å; V207-V218 HydrophobicContact CG2-CG2 4.39Å; V207-L241 HydrophobicContact CB-CD1 4.03Å; V207-L241 HydrophobicContact CG1-CD1 4.25Å; V207-L241 HydrophobicContact CG2-CD1 3.95Å; V207-L241 HydrophobicContact CG2-CD2 4.04Å; V207-I246 HydrophobicContact CB-CD1 3.77Å; V207-I246 HydrophobicContact CG1-CD1 3.54Å; V207-I246 HydrophobicContact CG1-CG2 4.44Å; V207-I255 HydrophobicContact CG1-CG2 4.15Å; V207-I257 HydrophobicContact CG1-CD1 4.12Å
208R97.7Very high96.1Very high126 Ų12633 Ų3348%0.47516%0.161SC..Hα-helixtrans-58.2-46.5172.5-78.5176.8177.7153.32.2111.7V204 E205 L206 A211 V212 I246V204-R208 WeakPolarHBondContact O-CB 3.31Å; V204-R208 WeakPolarHBondContact O-CG 3.41Å; V204-R208 PolarHBondContact O-N 3.33Å; E205-R208 PolarHBondContact O-N 3.04Å; L206-R208 PolarHBondContact O-N 3.27Å; R208-A211 PolarHBondContact O-N 3.31Å; R208-V212 WeakPolarHBondContact O-CG2 3.46Å; R208-V212 PolarHBondContact O-N 2.74Å; R208-V212 VanDerWaalsContact O-N 3.1Å; R208-I246 HydrophobicContact CB-CG2 4.48Å; R208-I246 HydrophobicContact CG-CD1 3.92Å; R208-I246 HydrophobicContact CG-CG1 3.91Å; R208-I246 HydrophobicContact CG-CG2 3.88Å
209R97.3Very high96.6Very high35 Ų3530 Ų3013%0.13214%0.144CC..Hα-helixtrans-59.3-49.6176.1-68.9171-173.4-134-3.4111.5E122 A125 R189 E205 L206 V207 A211 V212 M213E122-R209 IonicContact OE1-NH1 2.69Å; A125-R209 HydrophobicContact CB-CB 4.39Å; R189-R209 VanDerWaalsContact CZ-NH2 3.26Å; E205-R209 WeakPolarHBondContact O-CG 3.4Å; E205-R209 PolarHBondContact O-N 2.82Å; E205-R209 VanDerWaalsContact O-N 3.11Å; E205-R209 IonicContact OE1-CZ 3.58Å; E205-R209 VanDerWaalsContact OE1-CZ 3.25Å; E205-R209 IonicContact OE1-NE 3.23Å; E205-R209 PolarHBondContact OE1-NE 2.8Å; E205-R209 IonicContact OE1-NH2 2.65Å; E205-R209 PolarHBondContact OE1-NH2 3.33Å; L206-R209 WeakPolarHBondContact O-CB 3.5Å; L206-R209 PolarHBondContact O-N 3.02Å; V207-R209 PolarHBondContact O-N 3.12Å; R209-A211 VanDerWaalsContact C-N 3.31Å; R209-A211 PolarHBondContact O-N 3.41Å; R209-V212 PolarHBondContact O-N 3.19Å; R209-V212 VanDerWaalsContact O-N 3.14Å; R209-M213 VanDerWaalsContact O-CG 3.29Å; R209-M213 WeakPolarHBondContact O-CG 3.4Å; R209-M213 PolarHBondContact O-N 3.36Å
210L98Very high96.9Very high0 Ų027.6 Ų27.60%013%0.129CC..Hα-helixtrans-59.7-43.1180-68.6174.4000111.8I124 V128 A179 L206 V207 V212 M213 G214 V215 V218I124-L210 HydrophobicContact CG2-CD2 3.5Å; I124-L210 VanDerWaalsContact CG2-CD2 3.5Å; I124-L210 HydrophobicContact CG2-CG 4.43Å; V128-L210 HydrophobicContact CB-CD2 4.33Å; V128-L210 HydrophobicContact CG2-CD2 3.66Å; A179-L210 HydrophobicContact CB-CD1 4Å; L206-L210 HydrophobicContact CD1-CD1 4.24Å; L206-L210 HydrophobicContact CD1-CG 4.26Å; L206-L210 HydrophobicContact CG-CD1 4.16Å; L206-L210 WeakPolarHBondContact O-CG 3.44Å; L206-L210 PolarHBondContact O-N 3.15Å; V207-L210 PolarHBondContact O-N 3Å; L210-V212 VanDerWaalsContact C-N 3.27Å; L210-V212 PolarHBondContact O-N 3.37Å; L210-M213 CarbonylContact O-C 3.58Å; L210-M213 PolarHBondContact O-N 3.01Å; L210-M213 VanDerWaalsContact O-N 3.12Å; L210-G214 PolarHBondContact O-N 2.99Å; L210-V215 HydrophobicContact CB-CG1 4.03Å; L210-V215 HydrophobicContact CB-CG2 3.73Å; L210-V215 HydrophobicContact CD2-CG1 4.26Å; L210-V215 WeakPolarHBondContact O-CG2 3.41Å; L210-V215 PolarHBondContact O-N 3.41Å; L210-V218 HydrophobicContact CB-CG2 4.48Å; L210-V218 HydrophobicContact CD1-CG2 4.1Å
211A97.2Very high97.1Very high0 Ų027.7 Ų27.70%013%0.129CC..Hα-helixtrans-61.9-33.9177.900000112.4V207 R208 R209 I246 C249 I255V207-A211 WeakPolarHBondContact O-CB 3.36Å; V207-A211 PolarHBondContact O-N 3.34Å; R208-A211 PolarHBondContact O-N 3.31Å; R209-A211 VanDerWaalsContact C-N 3.31Å; R209-A211 PolarHBondContact O-N 3.41Å; A211-I246 HydrophobicContact CB-CG2 3.77Å; A211-C249 VanDerWaalsContact O-CB 3.24Å; A211-C249 WeakPolarHBondContact O-CB 3.39Å; A211-C249 PolarHBondContact O-N 2.91Å; A211-C249 PolarHBondContact O-SG 3.24Å; A211-I255 HydrophobicContact CB-CD1 4.07Å
212V96.4Very high97.3Very high96 Ų9620.7 Ų20.758%0.58210%0.098SC*.Hα-helixtrans-71.9-40.1172.6179.30000111.5R208 R209 L210 G214 C249R208-V212 WeakPolarHBondContact O-CG2 3.46Å; R208-V212 PolarHBondContact O-N 2.74Å; R208-V212 VanDerWaalsContact O-N 3.1Å; R209-V212 PolarHBondContact O-N 3.19Å; R209-V212 VanDerWaalsContact O-N 3.14Å; L210-V212 VanDerWaalsContact C-N 3.27Å; L210-V212 PolarHBondContact O-N 3.37Å; V212-G214 PolarHBondContact O-N 3.47Å; V212-C249 PolarHBondContact O-SG 3.14Å; V212-C249 VanDerWaalsContact O-SG 3.41Å
213M96.7Very high97.5Very high45 Ų4519.4 Ų19.422%0.2229%0.091CC..Hα-helixtrans-73.5-10.5179.6-61.6-62.393.900114A125 V128 H129 R209 L210A125-M213 HydrophobicContact CB-CG 3.65Å; A125-M213 HydrophobicContact CB-SD 4.21Å; A125-M213 WeakPolarHBondContact O-CG 3.3Å; V128-M213 HydrophobicContact CB-CB 4.19Å; V128-M213 HydrophobicContact CG1-CB 3.77Å; H129-M213 HydrophobicContact CB-CB 4.25Å; H129-M213 HydrophobicContact CB-CG 4.35Å; H129-M213 HydrophobicContact CB-SD 3.7Å; R209-M213 VanDerWaalsContact O-CG 3.29Å; R209-M213 WeakPolarHBondContact O-CG 3.4Å; R209-M213 PolarHBondContact O-N 3.36Å; L210-M213 CarbonylContact O-C 3.58Å; L210-M213 PolarHBondContact O-N 3.01Å; L210-M213 VanDerWaalsContact O-N 3.12Å
214G94.6Very high97.5Very high0 Ų020.5 Ų20.50%010%0.098CC..THydrogen-bonded Turntrans100.729168.100000115.7R132 L210 V212R132-G214 PolarHBondContact NE-O 3.05Å; R132-G214 PolarHBondContact NH2-O 3.5Å; L210-G214 PolarHBondContact O-N 2.99Å; V212-G214 PolarHBondContact O-N 3.47Å
215V97.3Very high97.4Very high0 Ų021.1 Ų21.10%010%0.102CC..  trans-66.6143.6161.6-56.60000110.3V128 I177 L210 V218 H248 I255V128-V215 HydrophobicContact CB-CG1 4.27Å; V128-V215 HydrophobicContact CG1-CG1 3.46Å; V128-V215 VanDerWaalsContact CG1-CG1 3.46Å; V128-V215 HydrophobicContact CG2-CG1 3.78Å; I177-V215 HydrophobicContact CG2-CG1 4.46Å; I177-V215 CarbonylContact O-C 3.6Å; I177-V215 WeakPolarHBondContact O-CA 3.34Å; L210-V215 HydrophobicContact CB-CG1 4.03Å; L210-V215 HydrophobicContact CB-CG2 3.73Å; L210-V215 HydrophobicContact CD2-CG1 4.26Å; L210-V215 WeakPolarHBondContact O-CG2 3.41Å; L210-V215 PolarHBondContact O-N 3.41Å; V215-V218 HydrophobicContact CG2-CG2 3.92Å; V215-H248 PolarHBondContact O-CD2 3.25Å; V215-H248 PolarHBondContact O-NE2 3.36Å; V215-H248 VanDerWaalsContact O-NE2 3.12Å; V215-I255 HydrophobicContact CG2-CD1 3.47Å; V215-I255 VanDerWaalsContact CG2-CD1 3.47Å
216D96.9Very high97.3Very high1 Ų124.1 Ų24.11%0.00512%0.116CC..SBendtrans-83.2-26.4175.3-68.7-75.4000112.9R132 R137 S176 I177 H248 P256R132-D216 IonicContact CZ-OD2 2.67Å; R132-D216 IonicContact NH2-OD2 3.54Å; R132-D216 PolarHBondContact NH2-OD2 3.16Å; R137-D216 IonicContact CZ-OD1 2.87Å; R137-D216 VanDerWaalsContact CZ-OD1 3.31Å; R137-D216 IonicContact NE-OD1 3.96Å; R137-D216 PolarHBondContact NE-OD1 2.9Å; R137-D216 IonicContact NH2-OD1 3.53Å; R137-D216 PolarHBondContact NH2-OD1 3.46Å; R137-D216 VanDerWaalsContact NH2-OD1 3.1Å; S176-D216 WeakPolarHBondContact CA-OD2 3.32Å; I177-D216 PolarHBondContact N-OD2 3.28Å; I177-D216 PolarHBondContact O-N 2.86Å; D216-H248 IonicContact OD1-NE2 3.62Å; D216-P256 WeakPolarHBondContact O-CD 3.35Å
217W98Very high97.2Very high0 Ų026.2 Ų26.20%013%0.126CC..EExtended strand (participates in β ladder)trans-159.1165.7173.162.480.9000111.2F4 Y7 L40 I72 S176 S178 P256 I258F4-W217 HydrophobicContact CB-CE3 4.27Å; F4-W217 HydrophobicContact CD2-CB 4.35Å; F4-W217 AromaticContact CD2-CD2 3.83Å; F4-W217 HydrophobicContact CD2-CD2 3.83Å; F4-W217 AromaticContact CD2-CE3 3.66Å; F4-W217 HydrophobicContact CD2-CE3 3.66Å; F4-W217 HydrophobicContact CD2-CG 4.16Å; F4-W217 HydrophobicContact CD2-CZ3 4.25Å; F4-W217 HydrophobicContact CE2-CD2 4.31Å; F4-W217 HydrophobicContact CE2-CG 4.39Å; F4-W217 HydrophobicContact CG-CE3 4.41Å; Y7-W217 AromaticContact CE2-CH2 3.76Å; Y7-W217 HydrophobicContact CE2-CH2 3.76Å; Y7-W217 AromaticContact CE2-CZ3 3.8Å; Y7-W217 HydrophobicContact CE2-CZ3 3.8Å; L40-W217 HydrophobicContact CD2-CH2 4.4Å; L40-W217 HydrophobicContact CD2-CZ2 3.96Å; I72-W217 HydrophobicContact CD1-CH2 3.76Å; I72-W217 HydrophobicContact CD1-CZ2 3.89Å; I72-W217 HydrophobicContact CG1-CH2 4.38Å; I72-W217 HydrophobicContact CG1-CZ2 4.05Å; S176-W217 WeakPolarHBondContact OG-CH2 3.46Å; S176-W217 WeakPolarHBondContact OG-CZ3 3.26Å; S178-W217 VanDerWaalsContact CB-CD1 3.44Å; S178-W217 PolarHBondContact OG-NE1 3.05Å; W217-P256 WeakPolarHBondContact CA-O 3.46Å; W217-P256 HydrophobicContact CB-CB 3.91Å; W217-P256 HydrophobicContact CB-CG 4.46Å; W217-P256 WeakPolarHBondContact CB-O 3.49Å; W217-I258 HydrophobicContact CB-CD1 4.31Å; W217-I258 HydrophobicContact CD2-CD1 4.48Å; W217-I258 HydrophobicContact CG-CD1 3.75Å
218V98.6Very high97Very high0 Ų034 Ų340%016%0.156CC..EExtended strand (participates in β ladder)trans-124.8131.4171.4177.40000110.1A179 I181 V207 L210 V215 I255 P256 I257 I258A179-V218 WeakPolarHBondContact O-CA 3.36Å; I181-V218 HydrophobicContact CD1-CG1 3.82Å; I181-V218 HydrophobicContact CG1-CG1 3.8Å; V207-V218 HydrophobicContact CG1-CG2 4.17Å; V207-V218 HydrophobicContact CG2-CB 4.47Å; V207-V218 HydrophobicContact CG2-CG1 4.08Å; V207-V218 HydrophobicContact CG2-CG2 4.39Å; L210-V218 HydrophobicContact CB-CG2 4.48Å; L210-V218 HydrophobicContact CD1-CG2 4.1Å; V215-V218 HydrophobicContact CG2-CG2 3.92Å; V218-I255 HydrophobicContact CG2-CD1 3.97Å; V218-P256 PolarHBondContact N-O 2.9Å; V218-P256 VanDerWaalsContact N-O 3.09Å; V218-I257 HydrophobicContact CB-CD1 4.35Å; V218-I257 WeakPolarHBondContact O-CA 3.21Å; V218-I258 PolarHBondContact O-N 3.32Å
219T98.9Very high96.7Very high0 Ų030.7 Ų30.70%015%0.151CC..EExtended strand (participates in β ladder)trans-95.4121.7167.5-58.10000110.1A179 K180 I181 I258 N260 M282A179-T219 PolarHBondContact O-N 3.14Å; K180-T219 WeakPolarHBondContact CA-O 3.48Å; K180-T219 HydrophobicContact CD-CG2 4.45Å; K180-T219 HydrophobicContact CG-CG2 4.02Å; I181-T219 WeakPolarHBondContact CG1-O 3.4Å; I181-T219 PolarHBondContact N-O 3.39Å; T219-I258 WeakPolarHBondContact CA-O 3.26Å; T219-I258 HydrophobicContact CG2-CB 4.2Å; T219-I258 HydrophobicContact CG2-CG2 3.96Å; T219-I258 WeakPolarHBondContact OG1-CD1 3.41Å; T219-N260 HydrophobicContact CG2-CB 3.78Å; T219-M282 HydrophobicContact CG2-CB 4.32Å; T219-M282 HydrophobicContact CG2-CE 3.84Å; T219-M282 HydrophobicContact CG2-SD 3.75Å; T219-M282 WeakPolarHBondContact OG1-CE 3.31Å
220L98.8Very high96.5Very high0 Ų039.2 Ų39.20%018%0.184CC..EExtended strand (participates in β ladder)trans-100.1109.3172.1-178.758.4000109.4I181 I183 T203 A222 V237 V238 L241 I258 N260I181-L220 HydrophobicContact CD1-CD1 3.93Å; I181-L220 HydrophobicContact CG1-CD1 3.8Å; I183-L220 HydrophobicContact CG1-CD1 3.97Å; I183-L220 HydrophobicContact CG1-CD2 4.48Å; T203-L220 HydrophobicContact CG2-CD1 4.3Å; T203-L220 HydrophobicContact CG2-CD2 4.07Å; L220-A222 PolarHBondContact O-N 3.09Å; L220-A222 VanDerWaalsContact O-N 3.14Å; L220-V237 HydrophobicContact CD2-CG1 4.11Å; L220-V238 HydrophobicContact CD2-CG2 3.97Å; L220-V238 HydrophobicContact CG-CG2 4.35Å; L220-L241 HydrophobicContact CD2-CD2 3.96Å; L220-I258 PolarHBondContact N-O 3.44Å; L220-N260 PolarHBondContact O-N 3.4Å
221H98.7Very high96.4Very high24 Ų2441.9 Ų41.911%0.11120%0.198CC..EExtended strand (participates in β ladder)trans-69109.4158.5-171.7175.9000106.6I181 R182 R223 N260I181-H221 WeakPolarHBondContact O-CB 3.44Å; I181-H221 PolarHBondContact O-N 3.34Å; R182-H221 HydrophobicContact CG-CB 3.93Å; R182-H221 PolarHBondContact NH2-CE1 2.9Å; R182-H221 PolarHBondContact NH2-ND1 3.26Å; H221-R223 PolarHBondContact NE2-NH1 3.48Å; H221-R223 PolarHBondContact O-N 2.78Å; H221-N260 CarbonylContact C-O 3.56Å; H221-N260 VanDerWaalsContact CA-O 3.32Å; H221-N260 WeakPolarHBondContact CA-O 3.26Å; H221-N260 HydrophobicContact CB-CB 4.4Å; H221-N260 WeakPolarHBondContact CB-OD1 3.2Å; H221-N260 PolarHBondContact CD2-O 3.2Å
222A98.3Very high96.4Very high0 Ų046.7 Ų46.70%023%0.23CC..SBendtrans-70.750.2-173.900000112.6L220 A233 S234 V238 N260L220-A222 PolarHBondContact O-N 3.09Å; L220-A222 VanDerWaalsContact O-N 3.14Å; A222-A233 HydrophobicContact CB-CB 4.06Å; A222-A233 CarbonylContact O-C 3.51Å; A222-A233 WeakPolarHBondContact O-CA 3.36Å; A222-S234 PolarHBondContact O-N 2.7Å; A222-V238 HydrophobicContact CB-CG2 3.79Å; A222-N260 PolarHBondContact N-O 2.96Å
223R98.1Very high96.5Very high2 Ų242.8 Ų42.81%0.00821%0.208CC..SBendtrans-146149.3175.7-74.5-174.8175.385-10.4109.1R182 I183 H221 Q227 R228 S229 D231 A233 D262R182-R223 WeakPolarHBondContact CB-O 3.48Å; R182-R223 WeakPolarHBondContact CG-O 3.3Å; I183-R223 PolarHBondContact N-O 2.9Å; H221-R223 PolarHBondContact NE2-NH1 3.48Å; H221-R223 PolarHBondContact O-N 2.78Å; R223-Q227 HydrophobicContact CB-CB 4Å; R223-Q227 HydrophobicContact CG-CB 4.26Å; R223-R228 PolarHBondContact NE-O 3.47Å; R223-S229 PolarHBondContact NH2-O 3.14Å; R223-D231 PolarHBondContact NE-O 2.88Å; R223-D231 PolarHBondContact NH2-O 2.83Å; R223-A233 HydrophobicContact CG-CB 4.49Å; R223-D262 IonicContact CZ-OD1 3.71Å; R223-D262 IonicContact CZ-OD2 3.45Å; R223-D262 IonicContact NH1-OD1 3.77Å; R223-D262 PolarHBondContact NH1-OD1 2.82Å; R223-D262 IonicContact NH1-OD2 3.38Å; R223-D262 IonicContact NH2-OD1 2.78Å; R223-D262 PolarHBondContact NH2-OD1 3.18Å; R223-D262 IonicContact NH2-OD2 2.66Å; R223-D262 PolarHBondContact NH2-OD2 3.25Å
224T96.7Very high96.5Very high24 Ų2442.3 Ų42.315%0.14721%0.209CC..  trans-71.7163.516870.40000110.8R182 I183 T185 Q226 Q227R182-T224 PolarHBondContact NH1-O 2.99Å; I183-T224 HydrophobicContact CB-CG2 4.15Å; I183-T224 HydrophobicContact CG2-CG2 4.28Å; I183-T224 WeakPolarHBondContact O-CA 3.45Å; T185-T224 HydrophobicContact CG2-CG2 3.45Å; T185-T224 VanDerWaalsContact CG2-CG2 3.45Å; T224-Q226 PolarHBondContact O-N 3.26Å; T224-Q227 PolarHBondContact O-N 3Å; T224-Q227 WeakPolarHBondContact OG1-CG 3.48Å; T224-Q227 PolarHBondContact OG1-N 3.42Å; T224-Q227 PolarHBondContact OG1-OE1 2.77Å
225P95.1Very high96.7Very high23 Ų2344.7 Ų44.715%0.14922%0.218CC..SBendtrans-56.8-32.7173.4-28.837.4000113.9L118 R182 I183L118-P225 HydrophobicContact CD1-CG 3.85Å; R182-P225 HydrophobicContact CB-CG 4.43Å; I183-P225 VanDerWaalsContact O-CD 3.27Å; I183-P225 WeakPolarHBondContact O-CD 3.29Å
226Q94.2Very high96.7Very high126 Ų12648.4 Ų48.459%0.58924%0.238SC*.SBendtrans-77.1-30.7-178.9-66.174.31900112.4T185 T224 R228T185-Q226 PolarHBondContact OG1-OE1 3.38Å; T224-Q226 PolarHBondContact O-N 3.26Å; Q226-R228 PolarHBondContact O-N 2.83Å
227Q95.5Very high96.8Very high48 Ų4849 Ų4922%0.22424%0.242CC..  trans-66.2131.3178.4-80.4173-38.900111.9R182 R223 T224 D231R182-Q227 PolarHBondContact NH1-O 2.89Å; R223-Q227 HydrophobicContact CB-CB 4Å; R223-Q227 HydrophobicContact CG-CB 4.26Å; T224-Q227 PolarHBondContact O-N 3Å; T224-Q227 WeakPolarHBondContact OG1-CG 3.48Å; T224-Q227 PolarHBondContact OG1-N 3.42Å; T224-Q227 PolarHBondContact OG1-OE1 2.77Å; Q227-D231 WeakPolarHBondContact CA-OD2 3.5Å; Q227-D231 HydrophobicContact CB-CB 4.22Å; Q227-D231 HydrophobicContact CG-CB 4.14Å
228R93.3Very high96.8Very high165 Ų16549 Ų4962%0.62324%0.242SC*.  trans-85.1166.9174.8-59.3-60-171.7177.40.8110.3R223 Q226 R230 D231R223-R228 PolarHBondContact NE-O 3.47Å; Q226-R228 PolarHBondContact O-N 2.83Å; R228-R230 HydrophobicContact CB-CG 4.09Å; R228-R230 PolarHBondContact O-N 2.91Å; R228-R230 VanDerWaalsContact O-N 3.1Å; R228-D231 PolarHBondContact N-OD2 2.97Å; R228-D231 WeakPolarHBondContact O-CB 3.12Å; R228-D231 PolarHBondContact O-N 3.36Å
229S91.6Very high96.8Very high55 Ų5552.7 Ų52.739%0.38526%0.259SS..THydrogen-bonded Turntrans-61.9-15.9177-65.20000115.4R223R223-S229 PolarHBondContact NH2-O 3.14Å
230R93.6Very high96.7Very high215 Ų21556.2 Ų56.281%0.81128%0.276SS*.THydrogen-bonded Turntrans-86-22.9175.868.6-178179.7-174.5-0.6112.7R228R228-R230 HydrophobicContact CB-CG 4.09Å; R228-R230 PolarHBondContact O-N 2.91Å; R228-R230 VanDerWaalsContact O-N 3.1Å
231D96.2Very high96.7Very high55 Ų5556.3 Ų56.329%0.29428%0.276SS..SBendtrans-78.8140.9178.7-50-36.1000107.7R223 Q227 R228R223-D231 PolarHBondContact NE-O 2.88Å; R223-D231 PolarHBondContact NH2-O 2.83Å; Q227-D231 WeakPolarHBondContact CA-OD2 3.5Å; Q227-D231 HydrophobicContact CB-CB 4.22Å; Q227-D231 HydrophobicContact CG-CB 4.14Å; R228-D231 PolarHBondContact N-OD2 2.97Å; R228-D231 WeakPolarHBondContact O-CB 3.12Å; R228-D231 PolarHBondContact O-N 3.36Å
232C97.1Very high96.7Very high102 Ų10256.3 Ų56.369%0.68928%0.278SS*.PPolyproline II helixtrans-64142.3-175.6-61.40000111.8
233A97.9Very high96.7Very high14 Ų1461.1 Ų61.112%0.11630%0.304CS..PPolyproline II helixtrans-72.6130.7171.800000110.8A222 R223 W235 D262A222-A233 HydrophobicContact CB-CB 4.06Å; A222-A233 CarbonylContact O-C 3.51Å; A222-A233 WeakPolarHBondContact O-CA 3.36Å; R223-A233 HydrophobicContact CG-CB 4.49Å; A233-W235 VanDerWaalsContact C-N 3.35Å; A233-W235 PolarHBondContact O-N 3.44Å; A233-D262 HydrophobicContact CB-CB 3.92Å; A233-D262 VanDerWaalsContact CB-OD2 3.31Å; A233-D262 WeakPolarHBondContact CB-OD2 3.29Å; A233-D262 PolarHBondContact N-OD2 3.45Å
234S97.8Very high96.7Very high35 Ų3563.3 Ų63.325%0.24532%0.319CS..  trans-82.574.9179.5-55.80000111A222 N236 V237A222-S234 PolarHBondContact O-N 2.7Å; S234-N236 PolarHBondContact O-N 3.49Å; S234-V237 WeakPolarHBondContact O-CB 3.32Å; S234-V237 PolarHBondContact O-N 2.92Å; S234-V237 VanDerWaalsContact O-N 3.11Å
235W98.3Very high96.7Very high49 Ų4968.3 Ų68.319%0.18634%0.338CS..Hα-helixtrans-60.3-28.4-179.9-70.73.4000113.3A233 V237 V238 Q239 L259 G261 D262 V263 D271 A272 T276A233-W235 VanDerWaalsContact C-N 3.35Å; A233-W235 PolarHBondContact O-N 3.44Å; W235-V237 PolarHBondContact O-N 3.27Å; W235-V238 WeakPolarHBondContact O-CA 3.42Å; W235-V238 VanDerWaalsContact O-CB 3.31Å; W235-V238 WeakPolarHBondContact O-CB 3.1Å; W235-V238 PolarHBondContact O-N 3.18Å; W235-Q239 PolarHBondContact O-N 2.81Å; W235-L259 HydrophobicContact CB-CD1 4.35Å; W235-L259 HydrophobicContact CD2-CD1 4.14Å; W235-L259 HydrophobicContact CG-CD1 3.88Å; W235-G261 PolarHBondContact NE1-O 2.92Å; W235-D262 HydrophobicContact CZ2-CB 4.35Å; W235-V263 HydrophobicContact CZ2-CG2 4.06Å; W235-D271 HydrophobicContact CZ3-CB 4.23Å; W235-A272 HydrophobicContact CE3-CB 4.35Å; W235-A272 HydrophobicContact CH2-CB 3.85Å; W235-A272 HydrophobicContact CZ2-CB 4.13Å; W235-A272 HydrophobicContact CZ3-CB 3.96Å; W235-T276 HydrophobicContact CB-CG2 3.87Å; W235-T276 WeakPolarHBondContact O-CG2 3.49Å
236N97.6Very high96.9Very high79 Ų7967.8 Ų67.842%0.42233%0.334SS..Hα-helixtrans-56.5-36.5173.369.4-67.8000112.4S234 V238 Q239 E240S234-N236 PolarHBondContact O-N 3.49Å; N236-V238 PolarHBondContact O-N 3.07Å; N236-Q239 WeakPolarHBondContact O-CB 3.46Å; N236-Q239 PolarHBondContact O-N 3.07Å; N236-Q239 VanDerWaalsContact O-N 3.17Å; N236-E240 PolarHBondContact ND2-OE1 3.16Å; N236-E240 WeakPolarHBondContact O-CG 3.3Å; N236-E240 PolarHBondContact O-N 3.01Å
237V97.7Very high97Very high14 Ų1467.3 Ų67.39%0.08533%0.33CS..Hα-helixtrans-66.3-31177.3-1790000111I183 I200 L220 S234 W235 L241I183-V237 HydrophobicContact CD1-CB 4.07Å; I183-V237 HydrophobicContact CD1-CG1 4.05Å; I183-V237 HydrophobicContact CD1-CG2 4.07Å; I183-V237 HydrophobicContact CG1-CG1 4.13Å; I183-V237 HydrophobicContact CG2-CG1 4.5Å; I200-V237 HydrophobicContact CD1-CG1 3.89Å; L220-V237 HydrophobicContact CD2-CG1 4.11Å; S234-V237 WeakPolarHBondContact O-CB 3.32Å; S234-V237 PolarHBondContact O-N 2.92Å; S234-V237 VanDerWaalsContact O-N 3.11Å; W235-V237 PolarHBondContact O-N 3.27Å; V237-L241 VanDerWaalsContact O-CB 3.27Å; V237-L241 WeakPolarHBondContact O-CB 3.32Å; V237-L241 PolarHBondContact O-N 3.03Å; V237-L241 VanDerWaalsContact O-N 3.11Å
238V98.7Very high97Very high0 Ų065.1 Ų65.10%032%0.32CS..Hα-helixtrans-70.5-44.3173.6-1750000110.2L220 A222 W235 N236 L241 V242 I257 L259 T276 C278L220-V238 HydrophobicContact CD2-CG2 3.97Å; L220-V238 HydrophobicContact CG-CG2 4.35Å; A222-V238 HydrophobicContact CB-CG2 3.79Å; W235-V238 WeakPolarHBondContact O-CA 3.42Å; W235-V238 VanDerWaalsContact O-CB 3.31Å; W235-V238 WeakPolarHBondContact O-CB 3.1Å; W235-V238 PolarHBondContact O-N 3.18Å; N236-V238 PolarHBondContact O-N 3.07Å; V238-L241 PolarHBondContact O-N 3.37Å; V238-V242 WeakPolarHBondContact O-CG2 3.35Å; V238-V242 PolarHBondContact O-N 3.29Å; V238-I257 HydrophobicContact CG1-CG2 3.96Å; V238-L259 HydrophobicContact CB-CD1 4.2Å; V238-L259 HydrophobicContact CG1-CB 4.17Å; V238-L259 HydrophobicContact CG1-CD1 4.15Å; V238-L259 HydrophobicContact CG1-CG 4.45Å; V238-L259 HydrophobicContact CG2-CD1 4.07Å; V238-L259 HydrophobicContact CG2-CG 4.22Å; V238-T276 HydrophobicContact CB-CG2 4.26Å; V238-C278 HydrophobicContact CG1-CB 4.23Å
239Q98.5Very high97Very high76 Ų7660 Ų6036%0.35531%0.309SS..Hα-helixtrans-57-54175.3-173.2-176.930.600111.1W235 N236 L241 V242 D243 T275 T276W235-Q239 PolarHBondContact O-N 2.81Å; N236-Q239 WeakPolarHBondContact O-CB 3.46Å; N236-Q239 PolarHBondContact O-N 3.07Å; N236-Q239 VanDerWaalsContact O-N 3.17Å; Q239-L241 PolarHBondContact O-N 3.27Å; Q239-V242 WeakPolarHBondContact O-CB 3.49Å; Q239-V242 PolarHBondContact O-N 3.4Å; Q239-D243 PolarHBondContact O-N 3.08Å; Q239-T275 VanDerWaalsContact CD-O 3.24Å; Q239-T275 PolarHBondContact NE2-O 3.19Å; Q239-T276 HydrophobicContact CB-CG2 4.33Å
240E98.1Very high96.9Very high75 Ų7563.1 Ų63.135%0.3531%0.313SS..Hα-helixtrans-57.7-36178.5-69.3173.6-114.100112I200 N236 C244I200-E240 HydrophobicContact CD1-CB 3.75Å; I200-E240 HydrophobicContact CG1-CB 3.99Å; N236-E240 PolarHBondContact ND2-OE1 3.16Å; N236-E240 WeakPolarHBondContact O-CG 3.3Å; N236-E240 PolarHBondContact O-N 3.01Å; E240-C244 PolarHBondContact O-N 2.84Å; E240-C244 PolarHBondContact O-SG 3.42Å
241L98.3Very high96.8Very high2 Ų255.2 Ų55.21%0.0129%0.286CS..Hα-helixtrans-69.9-39.6175.7179.763.5000112.7I200 T203 V204 V207 L220 V237 V238 Q239 C244 I246 I257I200-L241 HydrophobicContact CD1-CB 4.4Å; T203-L241 HydrophobicContact CG2-CD1 4.45Å; T203-L241 HydrophobicContact CG2-CD2 4.08Å; V204-L241 HydrophobicContact CG2-CD1 3.97Å; V207-L241 HydrophobicContact CB-CD1 4.03Å; V207-L241 HydrophobicContact CG1-CD1 4.25Å; V207-L241 HydrophobicContact CG2-CD1 3.95Å; V207-L241 HydrophobicContact CG2-CD2 4.04Å; L220-L241 HydrophobicContact CD2-CD2 3.96Å; V237-L241 VanDerWaalsContact O-CB 3.27Å; V237-L241 WeakPolarHBondContact O-CB 3.32Å; V237-L241 PolarHBondContact O-N 3.03Å; V237-L241 VanDerWaalsContact O-N 3.11Å; V238-L241 PolarHBondContact O-N 3.37Å; Q239-L241 PolarHBondContact O-N 3.27Å; L241-C244 WeakPolarHBondContact O-CB 3.21Å; L241-C244 PolarHBondContact O-N 3.41Å; L241-I246 HydrophobicContact CD1-CD1 3.79Å; L241-I257 HydrophobicContact CD2-CD1 3.96Å; L241-I257 HydrophobicContact CD2-CG1 4.34Å; L241-I257 HydrophobicContact CD2-CG2 3.91Å; L241-I257 HydrophobicContact CG-CD1 4.06Å; L241-I257 HydrophobicContact CG-CG1 4.19Å; L241-I257 HydrophobicContact CG-CG2 4.41Å
242V98.5Very high96.6Very high24 Ų2455 Ų5515%0.14530%0.297CS..Hα-helixtrans-63.3-45.8173.6169.10000110.1V238 Q239 C244 K245 I257V238-V242 WeakPolarHBondContact O-CG2 3.35Å; V238-V242 PolarHBondContact O-N 3.29Å; Q239-V242 WeakPolarHBondContact O-CB 3.49Å; Q239-V242 PolarHBondContact O-N 3.4Å; V242-C244 PolarHBondContact O-N 2.93Å; V242-K245 PolarHBondContact O-N 3.04Å; V242-I257 HydrophobicContact CG2-CB 3.77Å; V242-I257 HydrophobicContact CG2-CG1 4.1Å; V242-I257 HydrophobicContact CG2-CG2 4.09Å
243D98.2Very high96.5Very high101 Ų10153.4 Ų53.454%0.5429%0.285SS..Hα-helixtrans-63.7-23-178.9-70.2-23.6000113.3Q239 K245Q239-D243 PolarHBondContact O-N 3.08Å; D243-K245 PolarHBondContact O-N 3.27Å
244C97.9Very high96.4Very high48 Ų4855.1 Ų55.132%0.32429%0.292SS..THydrogen-bonded Turntrans-65.7-15.8173.5-74.80000114V204 E240 L241 V242 I246V204-C244 HydrophobicContact CG2-CB 4.48Å; V204-C244 VanDerWaalsContact CG2-SG 3.55Å; E240-C244 PolarHBondContact O-N 2.84Å; E240-C244 PolarHBondContact O-SG 3.42Å; L241-C244 WeakPolarHBondContact O-CB 3.21Å; L241-C244 PolarHBondContact O-N 3.41Å; V242-C244 PolarHBondContact O-N 2.93Å; C244-I246 VanDerWaalsContact C-N 3.26Å; C244-I246 HydrophobicContact CB-CD1 4.39Å; C244-I246 HydrophobicContact CB-CG1 4.04Å; C244-I246 PolarHBondContact O-N 3.46Å; C244-I246 VanDerWaalsContact O-N 3.15Å
245K97.5Very high96.4Very high128 Ų12853.7 Ų53.756%0.55728%0.281SS*.  trans47.347.2175.3-64.6-178.7-178.1178.60113.2V242 D243 K247V242-K245 PolarHBondContact O-N 3.04Å; D243-K245 PolarHBondContact O-N 3.27Å; K245-K247 WeakPolarHBondContact O-CD 3.27Å; K245-K247 PolarHBondContact O-N 3.08Å
246I97.8Very high96.3Very high12 Ų1251.6 Ų51.66%0.06227%0.274CS..PPolyproline II helixtrans-63.4127-178-63.6168.2000108.5V204 V207 R208 A211 L241 C244 D254 I255V204-I246 HydrophobicContact CG1-CD1 4.23Å; V207-I246 HydrophobicContact CB-CD1 3.77Å; V207-I246 HydrophobicContact CG1-CD1 3.54Å; V207-I246 HydrophobicContact CG1-CG2 4.44Å; R208-I246 HydrophobicContact CB-CG2 4.48Å; R208-I246 HydrophobicContact CG-CD1 3.92Å; R208-I246 HydrophobicContact CG-CG1 3.91Å; R208-I246 HydrophobicContact CG-CG2 3.88Å; A211-I246 HydrophobicContact CB-CG2 3.77Å; L241-I246 HydrophobicContact CD1-CD1 3.79Å; C244-I246 VanDerWaalsContact C-N 3.26Å; C244-I246 HydrophobicContact CB-CD1 4.39Å; C244-I246 HydrophobicContact CB-CG1 4.04Å; C244-I246 PolarHBondContact O-N 3.46Å; C244-I246 VanDerWaalsContact O-N 3.15Å; I246-D254 CarbonylContact O-C 3.57Å; I246-D254 WeakPolarHBondContact O-CA 3.38Å; I246-I255 HydrophobicContact CB-CG2 3.92Å; I246-I255 HydrophobicContact CG2-CG2 4.07Å; I246-I255 WeakPolarHBondContact O-CG2 3.47Å; I246-I255 PolarHBondContact O-N 3.3Å
247K97.4Very high96.4Very high116 Ų11648 Ų4850%0.50426%0.255SS..BIsolated β-bridgetrans-82.7135-174.8-57.5-51.3-169175.20112.5K245 G252 T253 D254K245-K247 WeakPolarHBondContact O-CD 3.27Å; K245-K247 PolarHBondContact O-N 3.08Å; K247-G252 WeakPolarHBondContact CD-O 3.25Å; K247-T253 CarbonylContact C-O 3.55Å; K247-T253 WeakPolarHBondContact CA-O 3.33Å; K247-D254 WeakPolarHBondContact CD-OD1 3.27Å; K247-D254 WeakPolarHBondContact CE-OD1 3.06Å; K247-D254 IonicContact NZ-OD1 3.91Å; K247-D254 PolarHBondContact NZ-OD1 2.95Å
248H94.5Very high96.4Very high2 Ų247.3 Ų47.31%0.00925%0.251CS..PPolyproline II helixtrans-74.4127.3172.2-176.7-80.4000110.6V215 D216 Y250 L251 G252 T253V215-H248 PolarHBondContact O-CD2 3.25Å; V215-H248 PolarHBondContact O-NE2 3.36Å; V215-H248 VanDerWaalsContact O-NE2 3.12Å; D216-H248 IonicContact OD1-NE2 3.62Å; H248-Y250 VanDerWaalsContact C-N 3.29Å; H248-Y250 AromaticContact CE1-CD2 3.6Å; H248-Y250 PolarHBondContact ND1-N 2.8Å; H248-Y250 PolarHBondContact O-N 3.18Å; H248-L251 HydrophobicContact CB-CB 4.29Å; H248-L251 PolarHBondContact ND1-N 2.77Å; H248-L251 PolarHBondContact O-N 3.14Å; H248-G252 PolarHBondContact O-N 3.22Å; H248-T253 PolarHBondContact N-O 3.42Å
249C93.3Very high96.4Very high59 Ų5947.3 Ų47.340%0.39925%0.251SS..THydrogen-bonded Turntrans-60-33.2-170.365.30000114.7A211 V212A211-C249 VanDerWaalsContact O-CB 3.24Å; A211-C249 WeakPolarHBondContact O-CB 3.39Å; A211-C249 PolarHBondContact O-N 2.91Å; A211-C249 PolarHBondContact O-SG 3.24Å; V212-C249 PolarHBondContact O-SG 3.14Å; V212-C249 VanDerWaalsContact O-SG 3.41Å
250Y90.8Very high96.4Very high120 Ų12044.3 Ų44.347%0.47124%0.237SC..THydrogen-bonded Turntrans-89.8-18.5-179.7-58.2-74.5000114.9R132 H248R132-Y250 HydrophobicContact CG-CE2 4.2Å; R132-Y250 WeakPolarHBondContact CG-OH 3.37Å; H248-Y250 VanDerWaalsContact C-N 3.29Å; H248-Y250 AromaticContact CE1-CD2 3.6Å; H248-Y250 PolarHBondContact ND1-N 2.8Å; H248-Y250 PolarHBondContact O-N 3.18Å
251L90.7Very high96.4Very high48 Ų4841.1 Ų41.125%0.25123%0.225SC..THydrogen-bonded Turntrans-114.5-24.9-169.6-64178.4000113.1D2 H248 T253D2-L251 HydrophobicContact CB-CD1 3.98Å; H248-L251 HydrophobicContact CB-CB 4.29Å; H248-L251 PolarHBondContact ND1-N 2.77Å; H248-L251 PolarHBondContact O-N 3.14Å; L251-T253 HydrophobicContact CB-CG2 4.45Å; L251-T253 WeakPolarHBondContact CB-OG1 3.45Å; L251-T253 PolarHBondContact O-N 2.83Å; L251-T253 VanDerWaalsContact O-N 3.07Å
252G92.3Very high96.4Very high51 Ų5142.8 Ų42.853%0.52623%0.234SC..SBendtrans69.3-5.8-171.700000114.5K247 H248K247-G252 WeakPolarHBondContact CD-O 3.25Å; H248-G252 PolarHBondContact O-N 3.22Å
253T94Very high96.3Very high69 Ų6942.1 Ų42.142%0.42323%0.23SC..SBendtrans-79.6168.5171.4590000111K247 H248 L251K247-T253 CarbonylContact C-O 3.55Å; K247-T253 WeakPolarHBondContact CA-O 3.33Å; H248-T253 PolarHBondContact N-O 3.42Å; L251-T253 HydrophobicContact CB-CG2 4.45Å; L251-T253 WeakPolarHBondContact CB-OG1 3.45Å; L251-T253 PolarHBondContact O-N 2.83Å; L251-T253 VanDerWaalsContact O-N 3.07Å
254D96.1Very high96.2Very high49 Ų4945.3 Ų45.326%0.26223%0.234SC..BIsolated β-bridgetrans-65139.9172.4-59.5-18.9000109.6I246 K247 P256I246-D254 CarbonylContact O-C 3.57Å; I246-D254 WeakPolarHBondContact O-CA 3.38Å; K247-D254 WeakPolarHBondContact CD-OD1 3.27Å; K247-D254 WeakPolarHBondContact CE-OD1 3.06Å; K247-D254 IonicContact NZ-OD1 3.91Å; K247-D254 PolarHBondContact NZ-OD1 2.95Å; D254-P256 WeakPolarHBondContact O-CD 3.25Å
255I97.1Very high96.1Very high5 Ų544.1 Ų44.13%0.02623%0.23CC..PPolyproline II helixtrans-70.2128.9173.7-173.6174.9000109.4V207 A211 V215 V218 I246 I257V207-I255 HydrophobicContact CG1-CG2 4.15Å; A211-I255 HydrophobicContact CB-CD1 4.07Å; V215-I255 HydrophobicContact CG2-CD1 3.47Å; V215-I255 VanDerWaalsContact CG2-CD1 3.47Å; V218-I255 HydrophobicContact CG2-CD1 3.97Å; I246-I255 HydrophobicContact CB-CG2 3.92Å; I246-I255 HydrophobicContact CG2-CG2 4.07Å; I246-I255 WeakPolarHBondContact O-CG2 3.47Å; I246-I255 PolarHBondContact O-N 3.3Å; I255-I257 HydrophobicContact CG2-CD1 4.03Å; I255-I257 PolarHBondContact O-N 3.21Å
256P97.9Very high96Very high6 Ų639.5 Ų39.54%0.03921%0.212CC..PPolyproline II helixtrans-58.4127.2173.4-23.631.6000111.9F4 D216 W217 V218 D254 H279F4-P256 HydrophobicContact CB-CB 4.29Å; F4-P256 HydrophobicContact CB-CG 3.74Å; F4-P256 HydrophobicContact CD1-CB 3.62Å; F4-P256 HydrophobicContact CD1-CG 3.81Å; F4-P256 HydrophobicContact CD2-CB 4.42Å; F4-P256 HydrophobicContact CE1-CB 4Å; F4-P256 HydrophobicContact CG-CB 3.84Å; F4-P256 HydrophobicContact CG-CG 3.85Å; D216-P256 WeakPolarHBondContact O-CD 3.35Å; W217-P256 WeakPolarHBondContact CA-O 3.46Å; W217-P256 HydrophobicContact CB-CB 3.91Å; W217-P256 HydrophobicContact CB-CG 4.46Å; W217-P256 WeakPolarHBondContact CB-O 3.49Å; V218-P256 PolarHBondContact N-O 2.9Å; V218-P256 VanDerWaalsContact N-O 3.09Å; D254-P256 WeakPolarHBondContact O-CD 3.25Å; P256-H279 HydrophobicContact CB-CB 3.96Å
257I98.6Very high96Very high3 Ų344.6 Ų44.62%0.01524%0.239CC..EExtended strand (participates in β ladder)trans-106.3126.5172.5-55.3-56.5000108.7V207 V218 V238 L241 V242 I255 H279V207-I257 HydrophobicContact CG1-CD1 4.12Å; V218-I257 HydrophobicContact CB-CD1 4.35Å; V218-I257 WeakPolarHBondContact O-CA 3.21Å; V238-I257 HydrophobicContact CG1-CG2 3.96Å; L241-I257 HydrophobicContact CD2-CD1 3.96Å; L241-I257 HydrophobicContact CD2-CG1 4.34Å; L241-I257 HydrophobicContact CD2-CG2 3.91Å; L241-I257 HydrophobicContact CG-CD1 4.06Å; L241-I257 HydrophobicContact CG-CG1 4.19Å; L241-I257 HydrophobicContact CG-CG2 4.41Å; V242-I257 HydrophobicContact CG2-CB 3.77Å; V242-I257 HydrophobicContact CG2-CG1 4.1Å; V242-I257 HydrophobicContact CG2-CG2 4.09Å; I255-I257 HydrophobicContact CG2-CD1 4.03Å; I255-I257 PolarHBondContact O-N 3.21Å; I257-H279 PolarHBondContact N-ND1 3.41Å; I257-H279 PolarHBondContact O-N 3.23Å
258I98.7Very high96Very high0 Ų041.5 Ų41.50%023%0.228CC..EExtended strand (participates in β ladder)trans-105.1127.5178.6-61.2158.9000108.9F4 I17 W217 V218 T219 L220 G280 M282F4-I258 HydrophobicContact CE2-CD1 3.72Å; F4-I258 HydrophobicContact CE2-CG1 4.04Å; F4-I258 HydrophobicContact CZ-CD1 4.1Å; F4-I258 HydrophobicContact CZ-CG1 3.89Å; I17-I258 HydrophobicContact CD1-CD1 3.46Å; I17-I258 VanDerWaalsContact CD1-CD1 3.46Å; I17-I258 HydrophobicContact CD1-CG1 3.85Å; I17-I258 HydrophobicContact CD1-CG2 3.86Å; W217-I258 HydrophobicContact CB-CD1 4.31Å; W217-I258 HydrophobicContact CD2-CD1 4.48Å; W217-I258 HydrophobicContact CG-CD1 3.75Å; V218-I258 PolarHBondContact O-N 3.32Å; T219-I258 WeakPolarHBondContact CA-O 3.26Å; T219-I258 HydrophobicContact CG2-CB 4.2Å; T219-I258 HydrophobicContact CG2-CG2 3.96Å; T219-I258 WeakPolarHBondContact OG1-CD1 3.41Å; L220-I258 PolarHBondContact N-O 3.44Å; I258-G280 CarbonylContact C-O 3.43Å; I258-G280 VanDerWaalsContact CA-O 3.29Å; I258-G280 WeakPolarHBondContact CA-O 3.37Å; I258-G280 WeakPolarHBondContact CG2-O 3.47Å; I258-M282 HydrophobicContact CG2-CB 3.67Å
259L98.8Very high96.1Very high0 Ų041.4 Ų41.40%023%0.227CC..EExtended strand (participates in β ladder)trans-79.6134.2174-174.3145.2000110.4W235 V238 V263 A272 T276 C278 G280 M282W235-L259 HydrophobicContact CB-CD1 4.35Å; W235-L259 HydrophobicContact CD2-CD1 4.14Å; W235-L259 HydrophobicContact CG-CD1 3.88Å; V238-L259 HydrophobicContact CB-CD1 4.2Å; V238-L259 HydrophobicContact CG1-CB 4.17Å; V238-L259 HydrophobicContact CG1-CD1 4.15Å; V238-L259 HydrophobicContact CG1-CG 4.45Å; V238-L259 HydrophobicContact CG2-CD1 4.07Å; V238-L259 HydrophobicContact CG2-CG 4.22Å; L259-V263 HydrophobicContact CD2-CG2 3.87Å; L259-A272 HydrophobicContact CD1-CB 4Å; L259-A272 HydrophobicContact CD2-CB 3.97Å; L259-T276 HydrophobicContact CD1-CG2 3.73Å; L259-C278 HydrophobicContact CB-CB 3.94Å; L259-G280 PolarHBondContact N-O 3.23Å; L259-M282 PolarHBondContact O-N 2.96Å
260N98.7Very high96.4Very high12 Ų1242.5 Ų42.56%0.06422%0.224CC..EExtended strand (participates in β ladder)trans-133136.6167.3177.6-120.3000111.3K180 T219 L220 H221 A222 M282K180-N260 PolarHBondContact NZ-OD1 3.15Å; T219-N260 HydrophobicContact CG2-CB 3.78Å; L220-N260 PolarHBondContact O-N 3.4Å; H221-N260 CarbonylContact C-O 3.56Å; H221-N260 VanDerWaalsContact CA-O 3.32Å; H221-N260 WeakPolarHBondContact CA-O 3.26Å; H221-N260 HydrophobicContact CB-CB 4.4Å; H221-N260 WeakPolarHBondContact CB-OD1 3.2Å; H221-N260 PolarHBondContact CD2-O 3.2Å; A222-N260 PolarHBondContact N-O 2.96Å; N260-M282 HydrophobicContact CB-CB 4.16Å; N260-M282 PolarHBondContact ND2-O 2.79Å
261G97.6Very high96.7Very high9 Ų940.6 Ų40.69%0.09322%0.221CC..SBendtrans116.4134.3174.900000112.8W235 V263W235-G261 PolarHBondContact NE1-O 2.92Å; G261-V263 PolarHBondContact O-N 2.88Å
262D97.3Very high97.1Very high37 Ų3738.3 Ų38.320%0.19821%0.209CC..SBendtrans62.914.7178.4-67.1-14.1000118.2R223 A233 W235R223-D262 IonicContact CZ-OD1 3.71Å; R223-D262 IonicContact CZ-OD2 3.45Å; R223-D262 IonicContact NH1-OD1 3.77Å; R223-D262 PolarHBondContact NH1-OD1 2.82Å; R223-D262 IonicContact NH1-OD2 3.38Å; R223-D262 IonicContact NH2-OD1 2.78Å; R223-D262 PolarHBondContact NH2-OD1 3.18Å; R223-D262 IonicContact NH2-OD2 2.66Å; R223-D262 PolarHBondContact NH2-OD2 3.25Å; A233-D262 HydrophobicContact CB-CB 3.92Å; A233-D262 VanDerWaalsContact CB-OD2 3.31Å; A233-D262 WeakPolarHBondContact CB-OD2 3.29Å; A233-D262 PolarHBondContact N-OD2 3.45Å; W235-D262 HydrophobicContact CZ2-CB 4.35Å
263V97.8Very high97.4Very high10 Ų1038.2 Ų38.26%0.06120%0.196CC..  trans-86.4114.5163.5179.40000109.3W235 L259 G261 D268 A269 A272 V281 V283W235-V263 HydrophobicContact CZ2-CG2 4.06Å; L259-V263 HydrophobicContact CD2-CG2 3.87Å; G261-V263 PolarHBondContact O-N 2.88Å; V263-D268 HydrophobicContact CB-CB 4.38Å; V263-D268 HydrophobicContact CG1-CB 4.11Å; V263-A269 HydrophobicContact CG1-CB 3.8Å; V263-A272 HydrophobicContact CG2-CB 4.09Å; V263-V281 HydrophobicContact CB-CG1 4.23Å; V263-V281 HydrophobicContact CG1-CG1 3.94Å; V263-V281 HydrophobicContact CG2-CG1 3.78Å; V263-V283 HydrophobicContact CB-CG2 3.93Å; V263-V283 HydrophobicContact CG1-CG2 3.51Å
264R95.7Very high97.6Very high167 Ų16742.4 Ų42.463%0.6321%0.21SC*.  trans-116.6-18.8-176.8-58179-177.9163.54.3113.4D268 L293R264-D268 VanDerWaalsContact CA-OD2 3.27Å; R264-D268 WeakPolarHBondContact CA-OD2 3.44Å; R264-D268 VanDerWaalsContact CB-OD2 3.31Å; R264-D268 WeakPolarHBondContact CB-OD2 3.21Å; R264-D268 PolarHBondContact N-OD2 3.46Å; R264-L293 VanDerWaalsContact O-CD1 3.3Å; R264-L293 WeakPolarHBondContact O-CD1 3.48Å
265G95.3Very high97.7Very high24 Ų2443.4 Ų43.425%0.24722%0.218CC..SBendtrans-143.9-178.4172.400000112.5D268 A269G265-D268 PolarHBondContact N-OD2 3.2Å; G265-D268 PolarHBondContact O-N 2.95Å; G265-A269 PolarHBondContact O-N 3.49Å
266L96Very high97.7Very high31 Ų3143.3 Ų43.316%0.16222%0.218CC..Hα-helixtrans-64.3-39.7177.9-173.955.4000112.5L12 F14 D268 A269 Y270 L293 F294 P296L12-L266 HydrophobicContact CD1-CD1 4.02Å; F14-L266 HydrophobicContact CZ-CD1 4.41Å; L266-D268 PolarHBondContact O-N 2.88Å; L266-A269 WeakPolarHBondContact O-CA 3.33Å; L266-A269 VanDerWaalsContact O-CB 3.3Å; L266-A269 WeakPolarHBondContact O-CB 3.45Å; L266-A269 PolarHBondContact O-N 3.48Å; L266-Y270 HydrophobicContact CD1-CD2 4.42Å; L266-Y270 HydrophobicContact CD1-CE2 4.11Å; L266-Y270 HydrophobicContact CD2-CE2 4.16Å; L266-Y270 HydrophobicContact CG-CD2 4.07Å; L266-Y270 HydrophobicContact CG-CE2 3.75Å; L266-Y270 WeakPolarHBondContact O-CD2 3.42Å; L266-Y270 PolarHBondContact O-N 2.87Å; L266-L293 WeakPolarHBondContact CB-O 3.35Å; L266-F294 HydrophobicContact CD1-CD1 4.31Å; L266-P296 HydrophobicContact CD2-CB 4.4Å
267N96.5Very high97.7Very high119 Ų11944.7 Ų44.764%0.63623%0.233SC*.Hα-helixtrans-62.2-43.8178-67.8-12.5000111.5A269 Y270 D271N267-A269 PolarHBondContact O-N 3.25Å; N267-A269 VanDerWaalsContact O-N 3.16Å; N267-Y270 WeakPolarHBondContact O-CB 3.48Å; N267-Y270 PolarHBondContact O-N 3.29Å; N267-D271 PolarHBondContact O-N 2.91Å
268D97.6Very high97.7Very high50 Ų5044.6 Ų44.627%0.26723%0.233SC..Hα-helixtrans-59.6-30.1174.3-53.2-35.2000112.1V263 R264 G265 L266 A272V263-D268 HydrophobicContact CB-CB 4.38Å; V263-D268 HydrophobicContact CG1-CB 4.11Å; R264-D268 VanDerWaalsContact CA-OD2 3.27Å; R264-D268 WeakPolarHBondContact CA-OD2 3.44Å; R264-D268 VanDerWaalsContact CB-OD2 3.31Å; R264-D268 WeakPolarHBondContact CB-OD2 3.21Å; R264-D268 PolarHBondContact N-OD2 3.46Å; G265-D268 PolarHBondContact N-OD2 3.2Å; G265-D268 PolarHBondContact O-N 2.95Å; L266-D268 PolarHBondContact O-N 2.88Å; D268-A272 WeakPolarHBondContact O-CB 3.27Å; D268-A272 PolarHBondContact O-N 3.11Å
269A98Very high97.7Very high0 Ų047.9 Ų47.90%025%0.248CC..Hα-helixtrans-72.9-38.2177.100000111.8F14 V263 G265 L266 N267 Q273 V281 F294F14-A269 HydrophobicContact CE1-CB 4.22Å; F14-A269 HydrophobicContact CE2-CB 4.08Å; F14-A269 HydrophobicContact CZ-CB 3.59Å; V263-A269 HydrophobicContact CG1-CB 3.8Å; G265-A269 PolarHBondContact O-N 3.49Å; L266-A269 WeakPolarHBondContact O-CA 3.33Å; L266-A269 VanDerWaalsContact O-CB 3.3Å; L266-A269 WeakPolarHBondContact O-CB 3.45Å; L266-A269 PolarHBondContact O-N 3.48Å; N267-A269 PolarHBondContact O-N 3.25Å; N267-A269 VanDerWaalsContact O-N 3.16Å; A269-Q273 PolarHBondContact O-N 3.3Å; A269-Q273 VanDerWaalsContact O-N 3.08Å; A269-V281 HydrophobicContact CB-CB 4.39Å; A269-V281 HydrophobicContact CB-CG1 3.94Å; A269-V281 HydrophobicContact CB-CG2 4.37Å; A269-F294 HydrophobicContact CB-CE1 4.11Å
270Y97.8Very high97.7Very high83 Ų8347.9 Ų47.933%0.32525%0.248SC..Hα-helixtrans-62.6-51.3169.6-77.6-69.5000111.1L12 P13 F14 L266 N267 A272 Q273 E274L12-Y270 HydrophobicContact CD2-CE1 3.78Å; L12-Y270 HydrophobicContact CD2-CE2 4.2Å; L12-Y270 WeakPolarHBondContact CD2-OH 3.41Å; P13-Y270 HydrophobicContact CG-CD1 4.22Å; P13-Y270 HydrophobicContact CG-CE1 4.17Å; F14-Y270 HydrophobicContact CE1-CD1 4.07Å; F14-Y270 HydrophobicContact CE1-CE1 4.46Å; F14-Y270 HydrophobicContact CE1-CG 4.42Å; L266-Y270 HydrophobicContact CD1-CD2 4.42Å; L266-Y270 HydrophobicContact CD1-CE2 4.11Å; L266-Y270 HydrophobicContact CD2-CE2 4.16Å; L266-Y270 HydrophobicContact CG-CD2 4.07Å; L266-Y270 HydrophobicContact CG-CE2 3.75Å; L266-Y270 WeakPolarHBondContact O-CD2 3.42Å; L266-Y270 PolarHBondContact O-N 2.87Å; N267-Y270 WeakPolarHBondContact O-CB 3.48Å; N267-Y270 PolarHBondContact O-N 3.29Å; Y270-A272 VanDerWaalsContact C-N 3.26Å; Y270-A272 PolarHBondContact O-N 2.89Å; Y270-Q273 PolarHBondContact O-N 2.77Å; Y270-E274 WeakPolarHBondContact O-CB 3.43Å; Y270-E274 PolarHBondContact O-N 2.76Å
271D98.2Very high97.7Very high79 Ų7947.3 Ų47.342%0.42225%0.245SC..Hα-helixtrans-58.2-40.9179-65.6-13000111.3W235 N267 T275W235-D271 HydrophobicContact CZ3-CB 4.23Å; N267-D271 PolarHBondContact O-N 2.91Å; D271-T275 WeakPolarHBondContact O-CB 3.48Å; D271-T275 PolarHBondContact O-N 2.71Å; D271-T275 PolarHBondContact O-OG1 3.49Å
272A98.5Very high97.7Very high0 Ų046.9 Ų46.90%024%0.24CC..Hα-helixtrans-60.2-44.9174.600000112W235 L259 V263 D268 Y270 T276 V281W235-A272 HydrophobicContact CE3-CB 4.35Å; W235-A272 HydrophobicContact CH2-CB 3.85Å; W235-A272 HydrophobicContact CZ2-CB 4.13Å; W235-A272 HydrophobicContact CZ3-CB 3.96Å; L259-A272 HydrophobicContact CD1-CB 4Å; L259-A272 HydrophobicContact CD2-CB 3.97Å; V263-A272 HydrophobicContact CG2-CB 4.09Å; D268-A272 WeakPolarHBondContact O-CB 3.27Å; D268-A272 PolarHBondContact O-N 3.11Å; Y270-A272 VanDerWaalsContact C-N 3.26Å; Y270-A272 PolarHBondContact O-N 2.89Å; A272-T276 WeakPolarHBondContact O-CB 3.44Å; A272-T276 WeakPolarHBondContact O-CG2 3.33Å; A272-T276 PolarHBondContact O-N 2.66Å; A272-T276 PolarHBondContact O-OG1 3.38Å; A272-V281 HydrophobicContact CB-CG2 4.5Å
273Q98.3Very high97.8Very high50 Ų5045.2 Ų45.223%0.23423%0.231CC..Hα-helixtrans-70.4-43.2179.1-172.7-84.6-37.900111.9P13 F14 A269 Y270 G277 C278P13-Q273 HydrophobicContact CB-CG 4.49Å; P13-Q273 HydrophobicContact CG-CG 4.44Å; F14-Q273 HydrophobicContact CB-CG 4.15Å; F14-Q273 HydrophobicContact CD1-CB 3.6Å; F14-Q273 HydrophobicContact CD1-CG 3.88Å; F14-Q273 HydrophobicContact CE1-CB 4.29Å; F14-Q273 HydrophobicContact CG-CB 4.43Å; F14-Q273 HydrophobicContact CG-CG 4.5Å; A269-Q273 PolarHBondContact O-N 3.3Å; A269-Q273 VanDerWaalsContact O-N 3.08Å; Y270-Q273 PolarHBondContact O-N 2.77Å; Q273-G277 VanDerWaalsContact O-CA 3.29Å; Q273-G277 WeakPolarHBondContact O-CA 3.34Å; Q273-G277 PolarHBondContact O-N 3.13Å; Q273-C278 WeakPolarHBondContact CG-O 3.42Å
274E98.3Very high97.7Very high156 Ų15645.3 Ų45.373%0.72924%0.235SC*.Hα-helixtrans-65.7-43.8180-171174.9-173.900111.6Y270Y270-E274 WeakPolarHBondContact O-CB 3.43Å; Y270-E274 PolarHBondContact O-N 2.76Å
275T98.1Very high97.7Very high71 Ų7144.1 Ų44.144%0.43623%0.23SC..Hα-helixtrans-72.3-33.4-178.2-55.60000112.5Q239 D271Q239-T275 VanDerWaalsContact CD-O 3.24Å; Q239-T275 PolarHBondContact NE2-O 3.19Å; D271-T275 WeakPolarHBondContact O-CB 3.48Å; D271-T275 PolarHBondContact O-N 2.71Å; D271-T275 PolarHBondContact O-OG1 3.49Å
276T98.5Very high97.7Very high3 Ų343.7 Ų43.72%0.01823%0.225CC..Hα-helixtrans-112.6-15-169.871.40000115.1W235 V238 Q239 L259 A272 C278W235-T276 HydrophobicContact CB-CG2 3.87Å; W235-T276 WeakPolarHBondContact O-CG2 3.49Å; V238-T276 HydrophobicContact CB-CG2 4.26Å; Q239-T276 HydrophobicContact CB-CG2 4.33Å; L259-T276 HydrophobicContact CD1-CG2 3.73Å; A272-T276 WeakPolarHBondContact O-CB 3.44Å; A272-T276 WeakPolarHBondContact O-CG2 3.33Å; A272-T276 PolarHBondContact O-N 2.66Å; A272-T276 PolarHBondContact O-OG1 3.38Å; T276-C278 PolarHBondContact O-N 2.86Å; T276-C278 WeakPolarHBondContact OG1-CB 3.5Å; T276-C278 PolarHBondContact OG1-N 3.08Å; T276-C278 PolarHBondContact OG1-SG 3.2Å
277G98.2Very high97.8Very high34 Ų3442.2 Ų42.235%0.35122%0.217SC..  trans65.615.2-171.300000114Q273Q273-G277 VanDerWaalsContact O-CA 3.29Å; Q273-G277 WeakPolarHBondContact O-CA 3.34Å; Q273-G277 PolarHBondContact O-N 3.13Å
278C98.4Very high97.7Very high2 Ų237 Ų371%0.01419%0.189CC..  trans-59.3149-18070.50000112.1V238 L259 Q273 T276V238-C278 HydrophobicContact CG1-CB 4.23Å; L259-C278 HydrophobicContact CB-CB 3.94Å; Q273-C278 WeakPolarHBondContact CG-O 3.42Å; T276-C278 PolarHBondContact O-N 2.86Å; T276-C278 WeakPolarHBondContact OG1-CB 3.5Å; T276-C278 PolarHBondContact OG1-N 3.08Å; T276-C278 PolarHBondContact OG1-SG 3.2Å
279H97.8Very high97.4Very high68 Ų6837.7 Ų37.732%0.31519%0.19SC..SBendtrans-87.2-19.6-174.4-59.973000112.1F4 V15 P256 I257F4-H279 HydrophobicContact CD1-CB 4.39Å; F4-H279 HydrophobicContact CE1-CB 3.75Å; F4-H279 WeakPolarHBondContact CE1-O 3.39Å; V15-H279 PolarHBondContact N-O 3.05Å; V15-H279 VanDerWaalsContact N-O 3.13Å; P256-H279 HydrophobicContact CB-CB 3.96Å; I257-H279 PolarHBondContact N-ND1 3.41Å; I257-H279 PolarHBondContact O-N 3.23Å
280G98.4Very high97.2Very high0 Ų040.5 Ų40.50%020%0.202CC..EExtended strand (participates in β ladder)trans-150.3154.7178.400000111.2V15 I258 L259V15-G280 VanDerWaalsContact O-CA 3.32Å; V15-G280 WeakPolarHBondContact O-CA 3.39Å; I258-G280 CarbonylContact C-O 3.43Å; I258-G280 VanDerWaalsContact CA-O 3.29Å; I258-G280 WeakPolarHBondContact CA-O 3.37Å; I258-G280 WeakPolarHBondContact CG2-O 3.47Å; L259-G280 PolarHBondContact N-O 3.23Å
281V98.6Very high97.1Very high0 Ų036.5 Ų36.50%019%0.186CC..EExtended strand (participates in β ladder)trans-118.8118176.5179.50000108.7F14 V15 I17 V263 A269 A272 V283 F294F14-V281 HydrophobicContact CB-CG2 4.23Å; F14-V281 HydrophobicContact CD1-CG2 4.19Å; F14-V281 HydrophobicContact CD2-CB 4.04Å; F14-V281 HydrophobicContact CD2-CG2 3.9Å; F14-V281 HydrophobicContact CE2-CB 4.33Å; F14-V281 HydrophobicContact CE2-CG2 4.32Å; F14-V281 HydrophobicContact CG-CB 4.47Å; F14-V281 HydrophobicContact CG-CG2 3.84Å; V15-V281 PolarHBondContact O-N 2.64Å; I17-V281 PolarHBondContact N-O 3.37Å; V263-V281 HydrophobicContact CB-CG1 4.23Å; V263-V281 HydrophobicContact CG1-CG1 3.94Å; V263-V281 HydrophobicContact CG2-CG1 3.78Å; A269-V281 HydrophobicContact CB-CB 4.39Å; A269-V281 HydrophobicContact CB-CG1 3.94Å; A269-V281 HydrophobicContact CB-CG2 4.37Å; A272-V281 HydrophobicContact CB-CG2 4.5Å; V281-V283 HydrophobicContact CG1-CG2 4.16Å; V281-F294 HydrophobicContact CB-CE1 4.5Å; V281-F294 HydrophobicContact CG1-CE1 4.46Å; V281-F294 HydrophobicContact CG1-CZ 4.39Å
282M98.8Very high96.9Very high0 Ų033 Ų330%017%0.168CC..EExtended strand (participates in β ladder)trans-101123.1176.9-179.9-172.9-7200111I17 A19 K180 T219 I258 L259 N260I17-M282 HydrophobicContact CB-CB 4.01Å; I17-M282 HydrophobicContact CB-CG 4.32Å; I17-M282 HydrophobicContact CG2-CB 4.17Å; I17-M282 HydrophobicContact CG2-CE 3.65Å; I17-M282 HydrophobicContact CG2-CG 4.04Å; I17-M282 CarbonylContact O-C 3.3Å; I17-M282 VanDerWaalsContact O-CA 3.27Å; I17-M282 WeakPolarHBondContact O-CA 3.48Å; A19-M282 HydrophobicContact CB-CG 3.65Å; A19-M282 HydrophobicContact CB-SD 3.71Å; K180-M282 HydrophobicContact CD-SD 3.95Å; K180-M282 WeakPolarHBondContact CE-SD 3.44Å; T219-M282 HydrophobicContact CG2-CB 4.32Å; T219-M282 HydrophobicContact CG2-CE 3.84Å; T219-M282 HydrophobicContact CG2-SD 3.75Å; T219-M282 WeakPolarHBondContact OG1-CE 3.31Å; I258-M282 HydrophobicContact CG2-CB 3.67Å; L259-M282 PolarHBondContact O-N 2.96Å; N260-M282 HydrophobicContact CB-CB 4.16Å; N260-M282 PolarHBondContact ND2-O 2.79Å
283V98.6Very high96.7Very high2 Ų233.6 Ų33.61%0.01217%0.171CC..EExtended strand (participates in β ladder)trans-114.8134.6-179.2-176.20000110.7I17 A19 V263 V281 A286 L287 L293 F294I17-V283 PolarHBondContact O-N 3.27Å; A19-V283 WeakPolarHBondContact CB-O 3.27Å; A19-V283 PolarHBondContact N-O 3.28Å; V263-V283 HydrophobicContact CB-CG2 3.93Å; V263-V283 HydrophobicContact CG1-CG2 3.51Å; V281-V283 HydrophobicContact CG1-CG2 4.16Å; V283-A286 HydrophobicContact CG1-CB 3.77Å; V283-L287 HydrophobicContact CB-CD1 4.06Å; V283-L287 HydrophobicContact CB-CG 4Å; V283-L287 HydrophobicContact CG1-CD1 4.41Å; V283-L287 HydrophobicContact CG1-CG 3.84Å; V283-L287 WeakPolarHBondContact O-CD1 3.45Å; V283-L293 HydrophobicContact CG1-CD1 4.02Å; V283-L293 HydrophobicContact CG2-CD2 4.24Å; V283-F294 HydrophobicContact CB-CE2 4.11Å; V283-F294 HydrophobicContact CB-CZ 4.19Å; V283-F294 HydrophobicContact CG2-CE1 4.25Å; V283-F294 HydrophobicContact CG2-CE2 3.85Å; V283-F294 HydrophobicContact CG2-CZ 3.43Å; V283-F294 VanDerWaalsContact CG2-CZ 3.43Å
284G96.9Very high96.6Very high13 Ų1331.2 Ų31.213%0.13416%0.159CC..  trans-107-100.1176.100000111.8A286 L287G284-A286 PolarHBondContact O-N 3.23Å; G284-L287 WeakPolarHBondContact O-CB 3.3Å; G284-L287 PolarHBondContact O-N 3.4Å
285R94.7Very high96.4Very high141 Ų14125.1 Ų25.153%0.53213%0.133SC..Hα-helixtrans-50-36.6-170.5-69.9177.3-70.5152.4-0.2115.1L287 L288R285-L287 VanDerWaalsContact C-N 3.32Å; R285-L287 PolarHBondContact O-N 3.35Å; R285-L288 WeakPolarHBondContact O-CB 3.28Å; R285-L288 PolarHBondContact O-N 3Å
286A96.1Very high95.9Very high16 Ų1623.5 Ų23.513%0.13212%0.124CC..Hα-helixtrans-64.7-36.6-178.600000112.1V283 G284 L288 K289 F290 L293V283-A286 HydrophobicContact CG1-CB 3.77Å; G284-A286 PolarHBondContact O-N 3.23Å; A286-L288 PolarHBondContact O-N 3.05Å; A286-K289 PolarHBondContact O-N 3.41Å; A286-K289 VanDerWaalsContact O-N 3.08Å; A286-F290 PolarHBondContact O-N 3.13Å; A286-L293 HydrophobicContact CB-CD1 3.57Å
287L96.8Very high95.2Very high0 Ų030.9 Ų30.90%016%0.163CC..Hα-helixtrans-63.2-26.4176.1-70176.7000113.2F29 L33 V38 V283 G284 R285 K289 F290 P291 L293 F294F29-L287 HydrophobicContact CZ-CB 4.31Å; F29-L287 WeakPolarHBondContact CZ-O 3.31Å; L33-L287 HydrophobicContact CD1-CD1 4.29Å; L33-L287 HydrophobicContact CD2-CB 4.04Å; L33-L287 HydrophobicContact CD2-CD1 4.17Å; L33-L287 HydrophobicContact CD2-CD2 4Å; L33-L287 HydrophobicContact CD2-CG 4.29Å; V38-L287 HydrophobicContact CG2-CD1 4.47Å; V38-L287 HydrophobicContact CG2-CD2 4.49Å; V283-L287 HydrophobicContact CB-CD1 4.06Å; V283-L287 HydrophobicContact CB-CG 4Å; V283-L287 HydrophobicContact CG1-CD1 4.41Å; V283-L287 HydrophobicContact CG1-CG 3.84Å; V283-L287 WeakPolarHBondContact O-CD1 3.45Å; G284-L287 WeakPolarHBondContact O-CB 3.3Å; G284-L287 PolarHBondContact O-N 3.4Å; R285-L287 VanDerWaalsContact C-N 3.32Å; R285-L287 PolarHBondContact O-N 3.35Å; L287-K289 PolarHBondContact O-N 3.21Å; L287-F290 CarbonylContact O-C 3.54Å; L287-P291 WeakPolarHBondContact O-CA 3.37Å; L287-P291 WeakPolarHBondContact O-CD 3.23Å; L287-L293 HydrophobicContact CD2-CB 3.85Å; L287-F294 HydrophobicContact CD2-CD2 4.18Å; L287-F294 HydrophobicContact CD2-CE2 4.42Å
288L94.9Very high94.5Very high10 Ų1032 Ų325%0.05216%0.157CC..Hα-helixtrans-65.2-27.8176.6-61.6176.7000112.4M21 Y24 F29 R285 A286 W334 M335M21-L288 HydrophobicContact CE-CD2 3.77Å; M21-L288 HydrophobicContact CE-CG 4.08Å; M21-L288 HydrophobicContact SD-CD1 3.97Å; M21-L288 HydrophobicContact SD-CD2 4.01Å; M21-L288 HydrophobicContact SD-CG 3.87Å; Y24-L288 VanDerWaalsContact CB-CD2 3.49Å; Y24-L288 HydrophobicContact CD1-CD2 4.23Å; Y24-L288 HydrophobicContact CD2-CD1 3.92Å; Y24-L288 HydrophobicContact CD2-CD2 4.15Å; Y24-L288 HydrophobicContact CE2-CD1 4.09Å; Y24-L288 HydrophobicContact CG-CD1 4.23Å; Y24-L288 HydrophobicContact CG-CD2 3.71Å; F29-L288 HydrophobicContact CE1-CD2 3.71Å; F29-L288 HydrophobicContact CZ-CD2 4.06Å; R285-L288 WeakPolarHBondContact O-CB 3.28Å; R285-L288 PolarHBondContact O-N 3Å; A286-L288 PolarHBondContact O-N 3.05Å; L288-W334 HydrophobicContact CB-CB 4.14Å; L288-W334 HydrophobicContact CB-CG 4.32Å; L288-W334 WeakPolarHBondContact O-CB 3.38Å; L288-M335 WeakPolarHBondContact O-CG 3.4Å
289K92.5Very high93.6Very high63 Ų6338 Ų3827%0.27419%0.187SC..Hα-helixtrans-97.4-40.3178.3-57.2-163.8176.9-150.40111.5A286 L287 P291 E337 P338A286-K289 PolarHBondContact O-N 3.41Å; A286-K289 VanDerWaalsContact O-N 3.08Å; L287-K289 PolarHBondContact O-N 3.21Å; K289-P291 VanDerWaalsContact C-CD 3.46Å; K289-P291 WeakPolarHBondContact O-CD 3.38Å; K289-E337 IonicContact NZ-OE2 3.61Å; K289-E337 PolarHBondContact NZ-OE2 3.46Å; K289-P338 HydrophobicContact CB-CG 4.49Å; K289-P338 HydrophobicContact CD-CG 4.36Å
290F93.6Very high92.3Very high59 Ų5940.3 Ų40.326%0.25920%0.198SC..  trans-12675.8-175.1-48.3-66000110.1A286 L287 H292 L293 P338 F339A286-F290 PolarHBondContact O-N 3.13Å; L287-F290 CarbonylContact O-C 3.54Å; F290-H292 PolarHBondContact O-N 3.35Å; F290-H292 VanDerWaalsContact O-N 3.13Å; F290-L293 HydrophobicContact CB-CB 4.43Å; F290-L293 VanDerWaalsContact O-CB 3.23Å; F290-L293 WeakPolarHBondContact O-CB 2.94Å; F290-L293 PolarHBondContact O-N 2.88Å; F290-P338 HydrophobicContact CE1-CB 4.43Å; F290-P338 HydrophobicContact CE1-CG 4.23Å; F290-P338 HydrophobicContact CZ-CB 4.48Å; F290-P338 HydrophobicContact CZ-CG 4.17Å; F290-F339 HydrophobicContact CE1-CZ 4.05Å
291P95.2Very high91Very high0 Ų044.1 Ų44.10%022%0.222CC..THydrogen-bonded Turntrans-52.8-30175.6-24.828.6000113.7F29 L32 L33 H36 L287 K289 L293 L308 M335F29-P291 HydrophobicContact CE2-CB 4.34Å; F29-P291 HydrophobicContact CE2-CG 4.1Å; L32-P291 HydrophobicContact CD2-CB 3.77Å; L32-P291 HydrophobicContact CD2-CG 3.73Å; L32-P291 HydrophobicContact CG-CB 4.28Å; L33-P291 HydrophobicContact CD2-CB 4.02Å; H36-P291 WeakPolarHBondContact CB-O 3.09Å; L287-P291 WeakPolarHBondContact O-CA 3.37Å; L287-P291 WeakPolarHBondContact O-CD 3.23Å; K289-P291 VanDerWaalsContact C-CD 3.46Å; K289-P291 WeakPolarHBondContact O-CD 3.38Å; P291-L293 VanDerWaalsContact C-N 3.29Å; P291-L293 PolarHBondContact O-N 3.28Å; P291-L308 HydrophobicContact CB-CD1 3.98Å; P291-L308 HydrophobicContact CB-CD2 4.31Å; P291-L308 HydrophobicContact CG-CD1 4.2Å; P291-L308 HydrophobicContact CG-CD2 3.91Å; P291-L308 HydrophobicContact CG-CG 4.34Å; P291-M335 HydrophobicContact CG-CE 4.08Å; P291-M335 HydrophobicContact CG-CG 4.49Å; P291-M335 HydrophobicContact CG-SD 4.45Å
292H94.1Very high89.4Confident6 Ų648.5 Ų48.53%0.02824%0.242CC..THydrogen-bonded Turntrans-79.64.9176.962.3-80.8000115.6F290 F294 T295 Y298 E300F290-H292 PolarHBondContact O-N 3.35Å; F290-H292 VanDerWaalsContact O-N 3.13Å; H292-F294 PolarHBondContact O-N 3.37Å; H292-T295 VanDerWaalsContact O-CB 3.32Å; H292-T295 WeakPolarHBondContact O-CB 3.39Å; H292-T295 PolarHBondContact O-N 3.19Å; H292-T295 PolarHBondContact O-OG1 3.33Å; H292-Y298 HydrophobicContact CB-CD1 4.15Å; H292-Y298 HydrophobicContact CB-CD2 3.58Å; H292-Y298 HydrophobicContact CB-CE1 4.09Å; H292-Y298 HydrophobicContact CB-CE2 3.51Å; H292-Y298 HydrophobicContact CB-CG 3.87Å; H292-Y298 AromaticContact CD2-CD1 3.09Å; H292-Y298 WeakPolarHBondContact CD2-CD1 3.33Å; H292-Y298 AromaticContact CD2-CE1 3.37Å; H292-Y298 WeakPolarHBondContact CD2-CE1 3.46Å; H292-Y298 AromaticContact CD2-CG 3.47Å; H292-Y298 VanDerWaalsContact CD2-CG 3.47Å; H292-Y298 AromaticContact CD2-CZ 3.97Å; H292-Y298 AromaticContact CG-CD1 3.67Å; H292-Y298 AromaticContact CG-CE1 3.55Å; H292-Y298 AromaticContact CG-CE2 3.94Å; H292-Y298 AromaticContact CG-CG 3.89Å; H292-Y298 AromaticContact CG-CZ 3.67Å; H292-Y298 AromaticContact NE2-CD1 3.63Å; H292-Y298 AromaticContact NE2-CE1 3.67Å; H292-E300 IonicContact CD2-OE1 3.42Å; H292-E300 IonicContact CE1-OE1 3.64Å; H292-E300 IonicContact NE2-OE1 2.67Å; H292-E300 PolarHBondContact NE2-OE1 3.41Å
293L95.1Very high88Confident12 Ų1252.2 Ų52.26%0.06326%0.262CS..THydrogen-bonded Turntrans-48.8-36.7-174.7179.7153.3000114.1R264 L266 V283 A286 L287 F290 P291R264-L293 VanDerWaalsContact O-CD1 3.3Å; R264-L293 WeakPolarHBondContact O-CD1 3.48Å; L266-L293 WeakPolarHBondContact CB-O 3.35Å; V283-L293 HydrophobicContact CG1-CD1 4.02Å; V283-L293 HydrophobicContact CG2-CD2 4.24Å; A286-L293 HydrophobicContact CB-CD1 3.57Å; L287-L293 HydrophobicContact CD2-CB 3.85Å; F290-L293 HydrophobicContact CB-CB 4.43Å; F290-L293 VanDerWaalsContact O-CB 3.23Å; F290-L293 WeakPolarHBondContact O-CB 2.94Å; F290-L293 PolarHBondContact O-N 2.88Å; P291-L293 VanDerWaalsContact C-N 3.29Å; P291-L293 PolarHBondContact O-N 3.28Å
294F96.1Very high87Confident0 Ų052.9 Ų52.90%027%0.267CS..THydrogen-bonded Turntrans-91.93.1-178.9-73-65.2000114.8F14 R16 V38 L266 A269 V281 V283 L287 H292 P296F14-F294 HydrophobicContact CE2-CD1 4.13Å; F14-F294 AromaticContact CE2-CE1 3.84Å; F14-F294 HydrophobicContact CE2-CE1 3.84Å; R16-F294 HydrophobicContact CB-CB 4.21Å; R16-F294 HydrophobicContact CB-CD1 3.89Å; R16-F294 HydrophobicContact CB-CD2 3.86Å; R16-F294 HydrophobicContact CB-CE1 4.06Å; R16-F294 HydrophobicContact CB-CE2 3.99Å; R16-F294 HydrophobicContact CB-CG 3.75Å; R16-F294 HydrophobicContact CB-CZ 4.06Å; R16-F294 HydrophobicContact CG-CB 4.03Å; R16-F294 HydrophobicContact CG-CD1 3.67Å; R16-F294 HydrophobicContact CG-CD2 4.45Å; R16-F294 HydrophobicContact CG-CE1 4.1Å; R16-F294 HydrophobicContact CG-CG 3.84Å; V38-F294 HydrophobicContact CG2-CD2 3.93Å; L266-F294 HydrophobicContact CD1-CD1 4.31Å; A269-F294 HydrophobicContact CB-CE1 4.11Å; V281-F294 HydrophobicContact CB-CE1 4.5Å; V281-F294 HydrophobicContact CG1-CE1 4.46Å; V281-F294 HydrophobicContact CG1-CZ 4.39Å; V283-F294 HydrophobicContact CB-CE2 4.11Å; V283-F294 HydrophobicContact CB-CZ 4.19Å; V283-F294 HydrophobicContact CG2-CE1 4.25Å; V283-F294 HydrophobicContact CG2-CE2 3.85Å; V283-F294 HydrophobicContact CG2-CZ 3.43Å; V283-F294 VanDerWaalsContact CG2-CZ 3.43Å; L287-F294 HydrophobicContact CD2-CD2 4.18Å; L287-F294 HydrophobicContact CD2-CE2 4.42Å; H292-F294 PolarHBondContact O-N 3.37Å; F294-P296 VanDerWaalsContact O-CD 3.23Å; F294-P296 WeakPolarHBondContact O-CD 3.41Å
295T93.1Very high86.1Confident27 Ų2753.1 Ų53.117%0.16627%0.265CS..SBendtrans-83.6110.8178.6-59.10000109.5H36 H292 Y298H36-T295 PolarHBondContact O-OG1 2.9Å; H292-T295 VanDerWaalsContact O-CB 3.32Å; H292-T295 WeakPolarHBondContact O-CB 3.39Å; H292-T295 PolarHBondContact O-N 3.19Å; H292-T295 PolarHBondContact O-OG1 3.33Å; T295-Y298 HydrophobicContact CG2-CD2 3.89Å; T295-Y298 WeakPolarHBondContact O-CB 3.5Å; T295-Y298 PolarHBondContact O-N 2.82Å
296P87.5Confident85.5Confident38 Ų3847.3 Ų47.325%0.24724%0.243CC..THydrogen-bonded Turntrans-62.4143.1177.9-19.634000110.5L266 F294 Y298L266-P296 HydrophobicContact CD2-CB 4.4Å; F294-P296 VanDerWaalsContact O-CD 3.23Å; F294-P296 WeakPolarHBondContact O-CD 3.41Å; P296-Y298 PolarHBondContact O-N 2.88Å; P296-Y298 VanDerWaalsContact O-N 3.14Å
297N84.6Confident85Confident158 Ų15853.4 Ų53.485%0.84526%0.263SS*.THydrogen-bonded Turntrans55.627.1179.2-50.3-46.7000114.1I299N297-I299 PolarHBondContact O-N 2.88Å; N297-I299 VanDerWaalsContact O-N 3.09Å
298Y83.9Confident84.7Confident56 Ų5653.7 Ų53.722%0.2227%0.265CS..  trans-61.4116.9173.9-168.7-88.5000109.5H36 H292 T295 P296 E300 S304H36-Y298 AromaticContact CE1-CE2 4Å; H292-Y298 HydrophobicContact CB-CD1 4.15Å; H292-Y298 HydrophobicContact CB-CD2 3.58Å; H292-Y298 HydrophobicContact CB-CE1 4.09Å; H292-Y298 HydrophobicContact CB-CE2 3.51Å; H292-Y298 HydrophobicContact CB-CG 3.87Å; H292-Y298 AromaticContact CD2-CD1 3.09Å; H292-Y298 WeakPolarHBondContact CD2-CD1 3.33Å; H292-Y298 AromaticContact CD2-CE1 3.37Å; H292-Y298 WeakPolarHBondContact CD2-CE1 3.46Å; H292-Y298 AromaticContact CD2-CG 3.47Å; H292-Y298 VanDerWaalsContact CD2-CG 3.47Å; H292-Y298 AromaticContact CD2-CZ 3.97Å; H292-Y298 AromaticContact CG-CD1 3.67Å; H292-Y298 AromaticContact CG-CE1 3.55Å; H292-Y298 AromaticContact CG-CE2 3.94Å; H292-Y298 AromaticContact CG-CG 3.89Å; H292-Y298 AromaticContact CG-CZ 3.67Å; H292-Y298 AromaticContact NE2-CD1 3.63Å; H292-Y298 AromaticContact NE2-CE1 3.67Å; T295-Y298 HydrophobicContact CG2-CD2 3.89Å; T295-Y298 WeakPolarHBondContact O-CB 3.5Å; T295-Y298 PolarHBondContact O-N 2.82Å; P296-Y298 PolarHBondContact O-N 2.88Å; P296-Y298 VanDerWaalsContact O-N 3.14Å; Y298-E300 HydrophobicContact CD1-CG 3.81Å; Y298-E300 HydrophobicContact CE1-CG 4.12Å; Y298-E300 PolarHBondContact O-N 2.89Å; Y298-S304 WeakPolarHBondContact OH-CB 3.43Å; Y298-S304 PolarHBondContact OH-O 3.25Å
299I77.5Confident84.6Confident128 Ų12853.2 Ų53.266%0.65626%0.263SS*.  trans-84.9103.3179.6-59.1176.7000107.4N297 V301 S304N297-I299 PolarHBondContact O-N 2.88Å; N297-I299 VanDerWaalsContact O-N 3.09Å; I299-V301 HydrophobicContact CG2-CG1 3.87Å; I299-V301 HydrophobicContact CG2-CG2 4.38Å; I299-V301 PolarHBondContact O-N 3.16Å; I299-S304 WeakPolarHBondContact O-CB 3.44Å; I299-S304 PolarHBondContact O-OG 2.78Å
300E72Confident84.6Confident117 Ų11753.9 Ų53.955%0.54727%0.267SS..  trans-73.674.2172.2-64.5-171.4172.100110.3H292 Y298H292-E300 IonicContact CD2-OE1 3.42Å; H292-E300 IonicContact CE1-OE1 3.64Å; H292-E300 IonicContact NE2-OE1 2.67Å; H292-E300 PolarHBondContact NE2-OE1 3.41Å; Y298-E300 HydrophobicContact CD1-CG 3.81Å; Y298-E300 HydrophobicContact CE1-CG 4.12Å; Y298-E300 PolarHBondContact O-N 2.89Å
301V70.5Confident84.6Confident81 Ų8154.2 Ų54.249%0.49127%0.271SS..  trans-89.9152.5158.9-75.60000108.9I299 N303 S304I299-V301 HydrophobicContact CG2-CG1 3.87Å; I299-V301 HydrophobicContact CG2-CG2 4.38Å; I299-V301 PolarHBondContact O-N 3.16Å; V301-N303 PolarHBondContact O-N 2.97Å; V301-N303 VanDerWaalsContact O-N 3.1Å; V301-S304 PolarHBondContact N-OG 3.18Å; V301-S304 VanDerWaalsContact O-CB 3.28Å; V301-S304 WeakPolarHBondContact O-CB 3.44Å; V301-S304 PolarHBondContact O-N 2.99Å; V301-S304 PolarHBondContact O-OG 3.36Å
302E64.6Low84.6Confident92 Ų9254.2 Ų54.243%0.4327%0.271SS..Hα-helixtrans-51.1-39.7-178.9-158.4-169.414200112.8S304 L305 R306 E368E302-S304 VanDerWaalsContact C-N 3.29Å; E302-S304 PolarHBondContact O-N 3.49Å; E302-L305 PolarHBondContact O-N 3.11Å; E302-R306 WeakPolarHBondContact O-CG 3.42Å; E302-R306 PolarHBondContact O-N 3.01Å; E302-R306 IonicContact OE1-CZ 3.36Å; E302-R306 IonicContact OE1-NE 2.69Å; E302-R306 PolarHBondContact OE1-NE 3.36Å; E302-R306 IonicContact OE1-NH2 2.77Å; E302-R306 PolarHBondContact OE1-NH2 3.24Å; E302-E368 VanDerWaalsContact OE1-OE2 3.1Å
303N70.6Confident84.6Confident78 Ų7854.4 Ų54.442%0.41727%0.272SS..Hα-helixtrans-59.2-34.4174.4-71.5-16.1000113.8V301 L305 R306 Y307V301-N303 PolarHBondContact O-N 2.97Å; V301-N303 VanDerWaalsContact O-N 3.1Å; N303-L305 VanDerWaalsContact C-N 3.29Å; N303-L305 PolarHBondContact O-N 2.88Å; N303-R306 WeakPolarHBondContact O-CB 3.3Å; N303-R306 PolarHBondContact O-N 3.16Å; N303-Y307 HydrophobicContact CB-CD2 4.47Å; N303-Y307 HydrophobicContact CB-CE2 4.05Å; N303-Y307 WeakPolarHBondContact O-CD2 3Å; N303-Y307 PolarHBondContact O-N 3.23Å
304S77.6Confident84.6Confident15 Ų1559 Ų5911%0.10530%0.296CS..Hα-helixtrans-63.5-36.3-179.373.30000112.2Y298 I299 V301 E302 L308Y298-S304 WeakPolarHBondContact OH-CB 3.43Å; Y298-S304 PolarHBondContact OH-O 3.25Å; I299-S304 WeakPolarHBondContact O-CB 3.44Å; I299-S304 PolarHBondContact O-OG 2.78Å; V301-S304 PolarHBondContact N-OG 3.18Å; V301-S304 VanDerWaalsContact O-CB 3.28Å; V301-S304 WeakPolarHBondContact O-CB 3.44Å; V301-S304 PolarHBondContact O-N 2.99Å; V301-S304 PolarHBondContact O-OG 3.36Å; E302-S304 VanDerWaalsContact C-N 3.29Å; E302-S304 PolarHBondContact O-N 3.49Å; S304-L308 WeakPolarHBondContact O-CB 3.14Å; S304-L308 PolarHBondContact O-N 2.87Å
305L76.9Confident84.6Confident19 Ų1959.6 Ų59.610%0.09930%0.299CS..Hα-helixtrans-76.6-34.7-179.5-64161.4000111.5E302 N303 L308 F309 F339E302-L305 PolarHBondContact O-N 3.11Å; N303-L305 VanDerWaalsContact C-N 3.29Å; N303-L305 PolarHBondContact O-N 2.88Å; L305-L308 HydrophobicContact CD2-CD2 4.48Å; L305-L308 PolarHBondContact O-N 3.17Å; L305-F309 WeakPolarHBondContact O-CB 3.48Å; L305-F309 PolarHBondContact O-N 3.16Å; L305-F339 HydrophobicContact CD1-CD1 3.29Å; L305-F339 HydrophobicContact CD1-CD2 3.85Å; L305-F339 HydrophobicContact CD1-CE1 3.07Å; L305-F339 HydrophobicContact CD1-CE2 3.65Å; L305-F339 HydrophobicContact CD1-CG 3.68Å; L305-F339 HydrophobicContact CD1-CZ 3.25Å; L305-F339 HydrophobicContact CD2-CD2 4.33Å; L305-F339 HydrophobicContact CD2-CE1 4.11Å; L305-F339 HydrophobicContact CD2-CE2 3.49Å; L305-F339 VanDerWaalsContact CD2-CE2 3.49Å; L305-F339 HydrophobicContact CD2-CZ 3.35Å; L305-F339 HydrophobicContact CG-CD2 4.48Å; L305-F339 HydrophobicContact CG-CE1 4.17Å; L305-F339 HydrophobicContact CG-CE2 4.05Å; L305-F339 HydrophobicContact CG-CZ 3.87Å
306R82.1Confident84.7Confident18 Ų1858.8 Ų58.87%0.06830%0.295CS..Hα-helixtrans-61.1-50.8173.1-65.2169.9171.7-16024.7110.3E302 N303 L308 F309 E310 F361 L365 D369E302-R306 WeakPolarHBondContact O-CG 3.42Å; E302-R306 PolarHBondContact O-N 3.01Å; E302-R306 IonicContact OE1-CZ 3.36Å; E302-R306 IonicContact OE1-NE 2.69Å; E302-R306 PolarHBondContact OE1-NE 3.36Å; E302-R306 IonicContact OE1-NH2 2.77Å; E302-R306 PolarHBondContact OE1-NH2 3.24Å; N303-R306 WeakPolarHBondContact O-CB 3.3Å; N303-R306 PolarHBondContact O-N 3.16Å; R306-L308 VanDerWaalsContact C-N 3.33Å; R306-L308 PolarHBondContact O-N 3.21Å; R306-F309 PolarHBondContact O-N 3.46Å; R306-E310 WeakPolarHBondContact O-CB 3.38Å; R306-E310 PolarHBondContact O-N 3.3Å; R306-F361 HydrophobicContact CB-CZ 4.43Å; R306-F361 WeakPolarHBondContact O-CZ 3.23Å; R306-L365 HydrophobicContact CB-CD2 3.59Å; R306-L365 HydrophobicContact CG-CD2 3.32Å; R306-L365 PolarHBondContact NH1-O 3.46Å; R306-D369 IonicContact CZ-OD1 3.63Å; R306-D369 IonicContact NH1-OD1 2.72Å; R306-D369 PolarHBondContact NH1-OD1 2.7Å; R306-D369 IonicContact NH1-OD2 3.61Å; R306-D369 IonicContact NH2-OD1 2.81Å
307Y86.5Confident84.9Confident144 Ų14460.6 Ų60.657%0.56531%0.305SS*.Hα-helixtrans-59.8-43.2175.4-67.6-57.6000112.4N303 F309 E310 D311N303-Y307 HydrophobicContact CB-CD2 4.47Å; N303-Y307 HydrophobicContact CB-CE2 4.05Å; N303-Y307 WeakPolarHBondContact O-CD2 3Å; N303-Y307 PolarHBondContact O-N 3.23Å; Y307-F309 VanDerWaalsContact C-N 3.32Å; Y307-F309 PolarHBondContact O-N 2.78Å; Y307-E310 PolarHBondContact O-N 3.09Å; Y307-D311 WeakPolarHBondContact O-CB 3.43Å; Y307-D311 PolarHBondContact O-N 3.04Å
308L90.7Very high85.3Confident6 Ų658.7 Ų58.73%0.03129%0.291CS..Hα-helixtrans-59-43177.217869.5000112.6L32 H36 P291 S304 L305 R306 W312 M335L32-L308 HydrophobicContact CD1-CD1 3.82Å; L32-L308 HydrophobicContact CD2-CD1 4.07Å; L32-L308 HydrophobicContact CG-CD1 4.08Å; H36-L308 VanDerWaalsContact CD2-CD1 3.45Å; H36-L308 WeakPolarHBondContact CD2-CD1 3.49Å; H36-L308 WeakPolarHBondContact NE2-CD1 3.29Å; P291-L308 HydrophobicContact CB-CD1 3.98Å; P291-L308 HydrophobicContact CB-CD2 4.31Å; P291-L308 HydrophobicContact CG-CD1 4.2Å; P291-L308 HydrophobicContact CG-CD2 3.91Å; P291-L308 HydrophobicContact CG-CG 4.34Å; S304-L308 WeakPolarHBondContact O-CB 3.14Å; S304-L308 PolarHBondContact O-N 2.87Å; L305-L308 HydrophobicContact CD2-CD2 4.48Å; L305-L308 PolarHBondContact O-N 3.17Å; R306-L308 VanDerWaalsContact C-N 3.33Å; R306-L308 PolarHBondContact O-N 3.21Å; L308-W312 WeakPolarHBondContact O-CB 3.18Å; L308-W312 PolarHBondContact O-N 3.3Å; L308-W312 VanDerWaalsContact O-N 3.13Å; L308-M335 HydrophobicContact CD2-CE 4.39Å; L308-M335 HydrophobicContact CG-CE 4.02Å
309F92.3Very high85.7Confident1 Ų158.5 Ų58.50%0.00429%0.29CS..Hα-helixtrans-71.8-38.9178.8-169.1-94000112.1L305 R306 Y307 W312 L313 A332 M335 M336 L357 W360 F361L305-F309 WeakPolarHBondContact O-CB 3.48Å; L305-F309 PolarHBondContact O-N 3.16Å; R306-F309 PolarHBondContact O-N 3.46Å; Y307-F309 VanDerWaalsContact C-N 3.32Å; Y307-F309 PolarHBondContact O-N 2.78Å; F309-W312 HydrophobicContact CD2-CE3 4.2Å; F309-W312 HydrophobicContact CE2-CE3 4.02Å; F309-W312 AromaticContact CE2-CZ3 3.89Å; F309-W312 HydrophobicContact CE2-CZ3 3.89Å; F309-W312 HydrophobicContact CZ-CE3 4.37Å; F309-W312 HydrophobicContact CZ-CZ3 4.01Å; F309-W312 PolarHBondContact O-N 2.82Å; F309-L313 HydrophobicContact CD1-CD1 3.76Å; F309-L313 HydrophobicContact CD1-CG 4.02Å; F309-L313 HydrophobicContact CE1-CD1 3.49Å; F309-L313 VanDerWaalsContact CE1-CD1 3.49Å; F309-L313 HydrophobicContact CE1-CD2 4.22Å; F309-L313 HydrophobicContact CE1-CG 3.79Å; F309-L313 HydrophobicContact CZ-CD1 4.48Å; F309-L313 HydrophobicContact CZ-CD2 4.49Å; F309-L313 HydrophobicContact CZ-CG 4.44Å; F309-L313 WeakPolarHBondContact O-CG 3.39Å; F309-L313 PolarHBondContact O-N 2.81Å; F309-A332 HydrophobicContact CE2-CB 3.71Å; F309-A332 HydrophobicContact CZ-CB 3.76Å; F309-M335 HydrophobicContact CD2-CB 4.21Å; F309-M335 HydrophobicContact CD2-CE 4.19Å; F309-M336 HydrophobicContact CB-SD 4.03Å; F309-M336 HydrophobicContact CD1-SD 4.38Å; F309-M336 HydrophobicContact CD2-CG 3.49Å; F309-M336 VanDerWaalsContact CD2-CG 3.49Å; F309-M336 HydrophobicContact CD2-SD 3.47Å; F309-M336 WeakPolarHBondContact CD2-SD 3.35Å; F309-M336 HydrophobicContact CE2-CG 3.3Å; F309-M336 HydrophobicContact CE2-SD 3.94Å; F309-M336 HydrophobicContact CG-CG 4.22Å; F309-M336 HydrophobicContact CG-SD 3.71Å; F309-M336 HydrophobicContact CZ-CG 3.92Å; F309-L357 HydrophobicContact CZ-CD1 4.24Å; F309-W360 HydrophobicContact CE1-CZ3 4.39Å; F309-W360 HydrophobicContact CZ-CZ3 4.3Å; F309-F361 HydrophobicContact CB-CE2 3.94Å; F309-F361 HydrophobicContact CB-CZ 4.04Å; F309-F361 HydrophobicContact CD1-CB 4.32Å; F309-F361 AromaticContact CD1-CD1 3.9Å; F309-F361 HydrophobicContact CD1-CD1 3.9Å; F309-F361 AromaticContact CD1-CD2 3.23Å; F309-F361 HydrophobicContact CD1-CD2 3.23Å; F309-F361 AromaticContact CD1-CE1 3.97Å; F309-F361 HydrophobicContact CD1-CE1 3.97Å; F309-F361 AromaticContact CD1-CE2 3.33Å; F309-F361 HydrophobicContact CD1-CE2 3.33Å; F309-F361 AromaticContact CD1-CG 3.54Å; F309-F361 HydrophobicContact CD1-CG 3.54Å; F309-F361 AromaticContact CD1-CZ 3.71Å; F309-F361 HydrophobicContact CD1-CZ 3.71Å; F309-F361 HydrophobicContact CE1-CB 3.88Å; F309-F361 HydrophobicContact CE1-CD1 4.25Å; F309-F361 AromaticContact CE1-CD2 3.52Å; F309-F361 HydrophobicContact CE1-CD2 3.52Å; F309-F361 HydrophobicContact CE1-CE2 4.11Å; F309-F361 AromaticContact CE1-CG 3.6Å; F309-F361 HydrophobicContact CE1-CG 3.6Å; F309-F361 HydrophobicContact CG-CD2 4.19Å; F309-F361 AromaticContact CG-CE2 3.94Å; F309-F361 HydrophobicContact CG-CE2 3.94Å; F309-F361 HydrophobicContact CG-CZ 4.33Å
310E92.8Very high86Confident77 Ų7757.2 Ų57.236%0.3629%0.289SS..Hα-helixtrans-60.8-48.6174.5-170.9173.4-171.200111.6R306 Y307 W312 L313 L314 F361R306-E310 WeakPolarHBondContact O-CB 3.38Å; R306-E310 PolarHBondContact O-N 3.3Å; Y307-E310 PolarHBondContact O-N 3.09Å; E310-W312 VanDerWaalsContact C-N 3.29Å; E310-W312 PolarHBondContact O-N 3.1Å; E310-L313 PolarHBondContact O-N 3.34Å; E310-L313 VanDerWaalsContact O-N 3.16Å; E310-L314 PolarHBondContact O-N 3.1Å; E310-F361 HydrophobicContact CB-CE1 3.86Å; E310-F361 HydrophobicContact CB-CZ 4.29Å; E310-F361 HydrophobicContact CG-CE1 4.39Å
311D93.5Very high86.3Confident66 Ų6653 Ų5335%0.35328%0.277SS..Hα-helixtrans-58.6-42.8176.3-79.9-17.9000111.3L32 Y307 L314 L315L32-D311 HydrophobicContact CD1-CB 4.11Å; Y307-D311 WeakPolarHBondContact O-CB 3.43Å; Y307-D311 PolarHBondContact O-N 3.04Å; D311-L314 PolarHBondContact O-N 2.71Å; D311-L315 WeakPolarHBondContact O-CB 3.49Å; D311-L315 VanDerWaalsContact O-CG 3.27Å; D311-L315 WeakPolarHBondContact O-CG 3.43Å; D311-L315 PolarHBondContact O-N 3.46Å
312W95Very high86.6Confident0 Ų050.5 Ų50.50%027%0.268CS..Hα-helixtrans-65.4-39.3176.6175.775.2000113.1L32 L308 F309 E310 S316 V328 Q331 A332 M335 L357L32-W312 HydrophobicContact CD1-CB 4.1Å; L32-W312 HydrophobicContact CD2-CB 3.79Å; L32-W312 HydrophobicContact CD2-CG 4.08Å; L32-W312 HydrophobicContact CG-CB 4.48Å; L308-W312 WeakPolarHBondContact O-CB 3.18Å; L308-W312 PolarHBondContact O-N 3.3Å; L308-W312 VanDerWaalsContact O-N 3.13Å; F309-W312 HydrophobicContact CD2-CE3 4.2Å; F309-W312 HydrophobicContact CE2-CE3 4.02Å; F309-W312 AromaticContact CE2-CZ3 3.89Å; F309-W312 HydrophobicContact CE2-CZ3 3.89Å; F309-W312 HydrophobicContact CZ-CE3 4.37Å; F309-W312 HydrophobicContact CZ-CZ3 4.01Å; F309-W312 PolarHBondContact O-N 2.82Å; E310-W312 VanDerWaalsContact C-N 3.29Å; E310-W312 PolarHBondContact O-N 3.1Å; W312-S316 VanDerWaalsContact O-CB 3.3Å; W312-S316 WeakPolarHBondContact O-CB 3.3Å; W312-S316 PolarHBondContact O-N 3.24Å; W312-S316 PolarHBondContact O-OG 3.38Å; W312-V328 HydrophobicContact CH2-CB 4.29Å; W312-V328 HydrophobicContact CH2-CG1 3.33Å; W312-V328 WeakPolarHBondContact CH2-O 3.3Å; W312-V328 HydrophobicContact CZ2-CB 4.44Å; W312-V328 HydrophobicContact CZ2-CG1 3.79Å; W312-V328 HydrophobicContact CZ3-CG1 4.2Å; W312-Q331 HydrophobicContact CH2-CB 4.38Å; W312-Q331 HydrophobicContact CH2-CG 4.41Å; W312-Q331 HydrophobicContact CZ2-CB 3.76Å; W312-Q331 HydrophobicContact CZ2-CG 3.59Å; W312-Q331 VanDerWaalsContact NE1-CD 3.3Å; W312-Q331 VanDerWaalsContact NE1-OE1 3.16Å; W312-A332 HydrophobicContact CH2-CB 3.69Å; W312-A332 HydrophobicContact CZ3-CB 3.69Å; W312-M335 HydrophobicContact CB-CE 3.9Å; W312-M335 HydrophobicContact CB-SD 4.33Å; W312-M335 HydrophobicContact CD2-CE 4.43Å; W312-M335 HydrophobicContact CD2-SD 3.83Å; W312-M335 HydrophobicContact CE3-SD 4.26Å; W312-M335 HydrophobicContact CG-CE 4.08Å; W312-M335 HydrophobicContact CG-SD 3.84Å; W312-L357 HydrophobicContact CH2-CD2 4.5Å; W312-L357 HydrophobicContact CZ3-CD2 4.32Å
313L94.6Very high87.6Confident10 Ų1047.3 Ų47.35%0.05225%0.254CS..Hα-helixtrans-64.3-42173.3-77.1178.7000111.6F309 E310 S316 T317 F354 L357 V358 F361F309-L313 HydrophobicContact CD1-CD1 3.76Å; F309-L313 HydrophobicContact CD1-CG 4.02Å; F309-L313 HydrophobicContact CE1-CD1 3.49Å; F309-L313 VanDerWaalsContact CE1-CD1 3.49Å; F309-L313 HydrophobicContact CE1-CD2 4.22Å; F309-L313 HydrophobicContact CE1-CG 3.79Å; F309-L313 HydrophobicContact CZ-CD1 4.48Å; F309-L313 HydrophobicContact CZ-CD2 4.49Å; F309-L313 HydrophobicContact CZ-CG 4.44Å; F309-L313 WeakPolarHBondContact O-CG 3.39Å; F309-L313 PolarHBondContact O-N 2.81Å; E310-L313 PolarHBondContact O-N 3.34Å; E310-L313 VanDerWaalsContact O-N 3.16Å; L313-S316 PolarHBondContact O-N 3.26Å; L313-T317 PolarHBondContact O-N 3.36Å; L313-T317 PolarHBondContact O-OG1 2.61Å; L313-F354 HydrophobicContact CD2-CE2 4.19Å; L313-F354 HydrophobicContact CD2-CZ 4.24Å; L313-L357 HydrophobicContact CD2-CD2 3.8Å; L313-L357 HydrophobicContact CD2-CG 4.11Å; L313-V358 HydrophobicContact CD1-CG2 4.36Å; L313-V358 HydrophobicContact CD2-CG2 4.43Å; L313-F361 HydrophobicContact CD1-CB 4.16Å; L313-F361 HydrophobicContact CD1-CD1 3.76Å; L313-F361 HydrophobicContact CD1-CE1 4.46Å; L313-F361 HydrophobicContact CD1-CG 4.09Å
314L94.9Very high88.5Confident108 Ų10846.4 Ų46.457%0.56525%0.254SS*.Hα-helixtrans-61.6-47.8176.8-179.562.8000111E310 D311 S316 T317 Q318E310-L314 PolarHBondContact O-N 3.1Å; D311-L314 PolarHBondContact O-N 2.71Å; L314-S316 VanDerWaalsContact C-N 3.3Å; L314-S316 PolarHBondContact O-N 2.92Å; L314-T317 WeakPolarHBondContact O-CB 3.39Å; L314-T317 PolarHBondContact O-N 2.91Å; L314-Q318 WeakPolarHBondContact O-CB 3.41Å; L314-Q318 PolarHBondContact O-N 3.45Å
315L95.4Very high89.3Confident13 Ų1348.3 Ų48.37%0.06826%0.261CS..Hα-helixtrans-60.4-40.9174.8-71.7169.6000111.5P28 L31 L32 D311 T317 Q318 Y319P28-L315 HydrophobicContact CB-CB 4.07Å; L31-L315 HydrophobicContact CB-CD1 4.04Å; L31-L315 HydrophobicContact CB-CD2 3.97Å; L31-L315 HydrophobicContact CD1-CD2 3.95Å; L32-L315 HydrophobicContact CB-CD1 3.95Å; L32-L315 HydrophobicContact CD1-CD1 4.27Å; D311-L315 WeakPolarHBondContact O-CB 3.49Å; D311-L315 VanDerWaalsContact O-CG 3.27Å; D311-L315 WeakPolarHBondContact O-CG 3.43Å; D311-L315 PolarHBondContact O-N 3.46Å; L315-T317 VanDerWaalsContact C-N 3.29Å; L315-T317 PolarHBondContact O-N 3.02Å; L315-Q318 PolarHBondContact O-N 3.3Å; L315-Y319 HydrophobicContact CD2-CD2 4.25Å; L315-Y319 HydrophobicContact CD2-CE2 4.03Å; L315-Y319 WeakPolarHBondContact O-CB 3.34Å; L315-Y319 WeakPolarHBondContact O-CD2 3.43Å; L315-Y319 PolarHBondContact O-N 3.03Å
316S94.6Very high90Very high9 Ų952.1 Ų52.16%0.06329%0.285CS..Hα-helixtrans-66.3-32.1177.9-620000112.4W312 L313 L314W312-S316 VanDerWaalsContact O-CB 3.3Å; W312-S316 WeakPolarHBondContact O-CB 3.3Å; W312-S316 PolarHBondContact O-N 3.24Å; W312-S316 PolarHBondContact O-OG 3.38Å; L313-S316 PolarHBondContact O-N 3.26Å; L314-S316 VanDerWaalsContact C-N 3.3Å; L314-S316 PolarHBondContact O-N 2.92Å
317T93Very high90.5Very high76 Ų7651.9 Ų51.947%0.46629%0.285SS..Hα-helixtrans-72.7-43.1173.5-530000111.5L313 L314 L315 T320 F354L313-T317 PolarHBondContact O-N 3.36Å; L313-T317 PolarHBondContact O-OG1 2.61Å; L314-T317 WeakPolarHBondContact O-CB 3.39Å; L314-T317 PolarHBondContact O-N 2.91Å; L315-T317 VanDerWaalsContact C-N 3.29Å; L315-T317 PolarHBondContact O-N 3.02Å; T317-T320 WeakPolarHBondContact O-CG2 3.49Å; T317-F354 WeakPolarHBondContact OG1-CE1 3.34Å; T317-F354 WeakPolarHBondContact OG1-CZ 3.42Å
318Q93.1Very high90.8Very high119 Ų11945.4 Ų45.456%0.55626%0.261SS*.Hα-helixtrans-71.5-33.6-177.5-172.8179.15.600112.5L314 L315L314-Q318 WeakPolarHBondContact O-CB 3.41Å; L314-Q318 PolarHBondContact O-N 3.45Å; L315-Q318 PolarHBondContact O-N 3.3Å
319Y92Very high91.1Very high51 Ų5146.5 Ų46.520%0.227%0.265CS..THydrogen-bonded Turntrans-123.264.5-173.4-59.5-79.2000111.8L27 P28 L31 C65 L315 G321L27-Y319 HydrophobicContact CD2-CD1 3.55Å; L27-Y319 HydrophobicContact CD2-CE1 4.23Å; L27-Y319 HydrophobicContact CD2-CG 3.94Å; L27-Y319 HydrophobicContact CG-CD1 4.28Å; L27-Y319 HydrophobicContact CG-CG 4.23Å; P28-Y319 WeakPolarHBondContact CG-O 3.42Å; L31-Y319 HydrophobicContact CD1-CD2 3.62Å; L31-Y319 HydrophobicContact CD1-CE1 4.43Å; L31-Y319 HydrophobicContact CD1-CE2 3.34Å; L31-Y319 HydrophobicContact CD1-CG 4.28Å; C65-Y319 HydrophobicContact CB-CE1 3.95Å; L315-Y319 HydrophobicContact CD2-CD2 4.25Å; L315-Y319 HydrophobicContact CD2-CE2 4.03Å; L315-Y319 WeakPolarHBondContact O-CB 3.34Å; L315-Y319 WeakPolarHBondContact O-CD2 3.43Å; L315-Y319 PolarHBondContact O-N 3.03Å; Y319-G321 PolarHBondContact O-N 3.34Å
320T83.8Confident91.1Very high101 Ų10149.2 Ų49.262%0.6228%0.278SS*.  trans-66.5-17.8-178.458.90000114.5T317 G322 T323T317-T320 WeakPolarHBondContact O-CG2 3.49Å; T320-G322 PolarHBondContact O-N 2.81Å; T320-G322 VanDerWaalsContact O-N 3.16Å; T320-T323 PolarHBondContact O-N 3.04Å
321G77.5Confident91.2Very high30 Ų3045.9 Ų45.931%0.30926%0.262SS..THydrogen-bonded Turntrans-54.3117.6-169.300000114T63 Y319 T323T63-G321 WeakPolarHBondContact CG2-O 3.47Å; T63-G321 PolarHBondContact OG1-O 2.92Å; Y319-G321 PolarHBondContact O-N 3.34Å; G321-T323 PolarHBondContact O-N 3.27Å
322G77.5Confident91.2Very high28 Ų2842.7 Ų42.729%0.28925%0.246SC..THydrogen-bonded Turntrans72.6-0.5174.400000116I60 T320I60-G322 WeakPolarHBondContact O-CA 3.41Å; T320-G322 PolarHBondContact O-N 2.81Å; T320-G322 VanDerWaalsContact O-N 3.16Å
323T85.1Confident91.1Very high24 Ų2445.4 Ų45.415%0.14726%0.256CS..  trans-102110.2-176.3-50.80000109.8T320 G321 T327 V328T320-T323 PolarHBondContact O-N 3.04Å; G321-T323 PolarHBondContact O-N 3.27Å; T323-T327 HydrophobicContact CG2-CG2 4.02Å; T323-V328 HydrophobicContact CG2-CG2 3.61Å
324S90.4Very high91Very high59 Ų5948.2 Ų48.241%0.41327%0.266SS..  trans-71.5151.1177.365.90000111.4V326 T327 V328S324-V326 PolarHBondContact O-N 3.35Å; S324-T327 WeakPolarHBondContact O-CA 3.45Å; S324-T327 VanDerWaalsContact O-CB 3.31Å; S324-T327 WeakPolarHBondContact O-CB 3.4Å; S324-T327 PolarHBondContact O-N 3.44Å; S324-T327 PolarHBondContact OG-N 3.07Å; S324-T327 PolarHBondContact OG-OG1 3.14Å; S324-V328 PolarHBondContact O-N 3.18Å; S324-V328 VanDerWaalsContact O-N 3.09Å
325F93.4Very high90.9Very high56 Ų5643.4 Ų43.425%0.24624%0.241CC..Hα-helixtrans-54.9-38.3174172.1-110000112.1T327 V328 H329 I351 G352 S353 F354 L357F325-T327 PolarHBondContact O-N 3.03Å; F325-V328 PolarHBondContact O-N 3.33Å; F325-V328 VanDerWaalsContact O-N 3.15Å; F325-H329 HydrophobicContact CE1-CB 4.09Å; F325-H329 HydrophobicContact CE2-CB 3.99Å; F325-H329 HydrophobicContact CZ-CB 3.75Å; F325-H329 AromaticContact CZ-CD2 3.91Å; F325-H329 VanDerWaalsContact O-CB 3.25Å; F325-H329 WeakPolarHBondContact O-CB 3.46Å; F325-H329 PolarHBondContact O-N 3.09Å; F325-I351 HydrophobicContact CZ-CG2 4.14Å; F325-G352 WeakPolarHBondContact CE1-O 3.46Å; F325-S353 VanDerWaalsContact CE1-N 3.3Å; F325-S353 WeakPolarHBondContact CE2-O 3.32Å; F325-S353 VanDerWaalsContact CZ-N 3.34Å; F325-S353 VanDerWaalsContact CZ-O 3.27Å; F325-S353 WeakPolarHBondContact CZ-O 3.24Å; F325-F354 HydrophobicContact CD2-CB 3.9Å; F325-F354 VanDerWaalsContact CD2-N 3.29Å; F325-F354 HydrophobicContact CE2-CB 4.32Å; F325-L357 HydrophobicContact CE2-CB 4.37Å
326V92.6Very high90.7Very high99 Ų9943.1 Ų43.160%0.624%0.239SC*.Hα-helixtrans-55.8-39.3175.6178.70000111.8S324 Q330S324-V326 PolarHBondContact O-N 3.35Å; V326-Q330 WeakPolarHBondContact O-CB 3.32Å; V326-Q330 PolarHBondContact O-N 3.21Å
327T92.2Very high90.4Very high12 Ų1244.4 Ų44.47%0.07424%0.244CC..Hα-helixtrans-70.2-45.8178-59.40000111.3R23 T323 S324 F325 Q330 Q331R23-T327 HydrophobicContact CB-CG2 4.04Å; R23-T327 WeakPolarHBondContact O-CG2 3.2Å; T323-T327 HydrophobicContact CG2-CG2 4.02Å; S324-T327 WeakPolarHBondContact O-CA 3.45Å; S324-T327 VanDerWaalsContact O-CB 3.31Å; S324-T327 WeakPolarHBondContact O-CB 3.4Å; S324-T327 PolarHBondContact O-N 3.44Å; S324-T327 PolarHBondContact OG-N 3.07Å; S324-T327 PolarHBondContact OG-OG1 3.14Å; F325-T327 PolarHBondContact O-N 3.03Å; T327-Q330 PolarHBondContact O-N 3.15Å; T327-Q331 WeakPolarHBondContact O-CB 3.15Å; T327-Q331 PolarHBondContact O-N 2.94Å
328V93.7Very high90Very high9 Ų943.2 Ų43.26%0.05524%0.237CC..Hα-helixtrans-58.1-54.3175.5177.20000109.6W312 T323 S324 F325 Q330 Q331 A332 F354 L357W312-V328 HydrophobicContact CH2-CB 4.29Å; W312-V328 HydrophobicContact CH2-CG1 3.33Å; W312-V328 WeakPolarHBondContact CH2-O 3.3Å; W312-V328 HydrophobicContact CZ2-CB 4.44Å; W312-V328 HydrophobicContact CZ2-CG1 3.79Å; W312-V328 HydrophobicContact CZ3-CG1 4.2Å; T323-V328 HydrophobicContact CG2-CG2 3.61Å; S324-V328 PolarHBondContact O-N 3.18Å; S324-V328 VanDerWaalsContact O-N 3.09Å; F325-V328 PolarHBondContact O-N 3.33Å; F325-V328 VanDerWaalsContact O-N 3.15Å; V328-Q330 VanDerWaalsContact C-N 3.35Å; V328-Q330 PolarHBondContact O-N 3.15Å; V328-Q331 CarbonylContact O-C 3.59Å; V328-Q331 WeakPolarHBondContact O-CB 3.48Å; V328-Q331 PolarHBondContact O-N 2.93Å; V328-A332 PolarHBondContact O-N 3.36Å; V328-F354 HydrophobicContact CG1-CD2 3.92Å; V328-F354 HydrophobicContact CG1-CE2 3.86Å; V328-L357 HydrophobicContact CG1-CD2 4.11Å
329H95Very high89.6Confident29 Ų2940.7 Ų40.713%0.13423%0.225CC..Hα-helixtrans-55.8-45.1179.8-179.5-106.2000113.2F325 Q331 A332 Y333 L348 I351F325-H329 HydrophobicContact CE1-CB 4.09Å; F325-H329 HydrophobicContact CE2-CB 3.99Å; F325-H329 HydrophobicContact CZ-CB 3.75Å; F325-H329 AromaticContact CZ-CD2 3.91Å; F325-H329 VanDerWaalsContact O-CB 3.25Å; F325-H329 WeakPolarHBondContact O-CB 3.46Å; F325-H329 PolarHBondContact O-N 3.09Å; H329-Q331 VanDerWaalsContact C-N 3.33Å; H329-Q331 PolarHBondContact O-N 3.38Å; H329-A332 WeakPolarHBondContact O-CB 3.43Å; H329-A332 PolarHBondContact O-N 2.89Å; H329-Y333 PolarHBondContact O-N 2.69Å; H329-L348 PolarHBondContact NE2-O 3.04Å; H329-I351 PolarHBondContact NE2-O 3.46Å
330Q93.8Very high89.4Confident58 Ų5838.5 Ų38.527%0.27122%0.216SC..Hα-helixtrans-64.1-39.4177-174168.829.100112.1Y24 V326 T327 V328 Y333 W334Y24-Q330 HydrophobicContact CE1-CB 4.39Å; Y24-Q330 HydrophobicContact CE1-CG 3.96Å; Y24-Q330 PolarHBondContact OH-NE2 3.2Å; Y24-Q330 VanDerWaalsContact OH-NE2 3.14Å; Y24-Q330 PolarHBondContact OH-OE1 3.1Å; V326-Q330 WeakPolarHBondContact O-CB 3.32Å; V326-Q330 PolarHBondContact O-N 3.21Å; T327-Q330 PolarHBondContact O-N 3.15Å; V328-Q330 VanDerWaalsContact C-N 3.35Å; V328-Q330 PolarHBondContact O-N 3.15Å; Q330-Y333 PolarHBondContact O-N 2.72Å; Q330-W334 PolarHBondContact O-N 3.1Å; Q330-W334 VanDerWaalsContact O-N 3.14Å
331Q94Very high89.7Confident6 Ų637.3 Ų37.33%0.02821%0.207CC..Hα-helixtrans-66.5-41.5174.3176.416331.700112.4Y24 F29 W312 T327 V328 H329 Y333 W334 M335Y24-Q331 HydrophobicContact CD1-CB 4.42Å; F29-Q331 VanDerWaalsContact CE2-NE2 3.26Å; W312-Q331 HydrophobicContact CH2-CB 4.38Å; W312-Q331 HydrophobicContact CH2-CG 4.41Å; W312-Q331 HydrophobicContact CZ2-CB 3.76Å; W312-Q331 HydrophobicContact CZ2-CG 3.59Å; W312-Q331 VanDerWaalsContact NE1-CD 3.3Å; W312-Q331 VanDerWaalsContact NE1-OE1 3.16Å; T327-Q331 WeakPolarHBondContact O-CB 3.15Å; T327-Q331 PolarHBondContact O-N 2.94Å; V328-Q331 CarbonylContact O-C 3.59Å; V328-Q331 WeakPolarHBondContact O-CB 3.48Å; V328-Q331 PolarHBondContact O-N 2.93Å; H329-Q331 VanDerWaalsContact C-N 3.33Å; H329-Q331 PolarHBondContact O-N 3.38Å; Q331-Y333 PolarHBondContact O-N 3.24Å; Q331-W334 WeakPolarHBondContact O-CB 3.47Å; Q331-W334 PolarHBondContact O-N 2.67Å; Q331-M335 HydrophobicContact CG-SD 4.16Å; Q331-M335 PolarHBondContact O-N 3.45Å
332A93.9Very high90.5Very high0 Ų043.9 Ų43.90%023%0.227CC..Hα-helixtrans-56.3-44.4174.700000111.2F309 W312 V328 H329 W334 M335 M336 L357F309-A332 HydrophobicContact CE2-CB 3.71Å; F309-A332 HydrophobicContact CZ-CB 3.76Å; W312-A332 HydrophobicContact CH2-CB 3.69Å; W312-A332 HydrophobicContact CZ3-CB 3.69Å; V328-A332 PolarHBondContact O-N 3.36Å; H329-A332 WeakPolarHBondContact O-CB 3.43Å; H329-A332 PolarHBondContact O-N 2.89Å; A332-W334 VanDerWaalsContact C-N 3.35Å; A332-W334 PolarHBondContact O-N 3.14Å; A332-M335 PolarHBondContact O-N 2.82Å; A332-M336 WeakPolarHBondContact O-CB 3.44Å; A332-M336 WeakPolarHBondContact O-CG 3.46Å; A332-M336 PolarHBondContact O-N 3.13Å; A332-L357 HydrophobicContact CB-CD1 4.01Å; A332-L357 HydrophobicContact CB-CD2 3.81Å
333Y93.6Very high91.2Very high57 Ų5746.6 Ų46.622%0.22424%0.238CC..Hα-helixtrans-58.7-44.4174.2-175.1-85.3000111.9H329 Q330 Q331 M335 M336 E337 R345 L348H329-Y333 PolarHBondContact O-N 2.69Å; Q330-Y333 PolarHBondContact O-N 2.72Å; Q331-Y333 PolarHBondContact O-N 3.24Å; Y333-M335 PolarHBondContact O-N 2.95Å; Y333-M336 PolarHBondContact O-N 3.3Å; Y333-E337 HydrophobicContact CD1-CB 4.25Å; Y333-E337 HydrophobicContact CE1-CB 3.9Å; Y333-E337 HydrophobicContact CE1-CG 4.02Å; Y333-E337 WeakPolarHBondContact CE1-OE1 3.31Å; Y333-E337 WeakPolarHBondContact O-CA 3.48Å; Y333-E337 WeakPolarHBondContact O-CB 3.42Å; Y333-E337 PolarHBondContact O-N 3.14Å; Y333-E337 PolarHBondContact OH-OE1 3.49Å; Y333-R345 HydrophobicContact CE2-CB 4.4Å; Y333-L348 HydrophobicContact CD2-CD2 4.23Å; Y333-L348 HydrophobicContact CD2-CG 4.45Å
334W92.8Very high91.5Very high69 Ų6947.2 Ų47.226%0.26124%0.24SC..Hα-helixtrans-61.3-42.6177.8-67.9127000113.5Y24 L288 Q330 Q331 A332Y24-W334 AromaticContact CE1-CD1 3.9Å; Y24-W334 AromaticContact CE1-NE1 3.72Å; Y24-W334 AromaticContact CZ-NE1 3.57Å; Y24-W334 PolarHBondContact OH-NE1 2.98Å; Y24-W334 VanDerWaalsContact OH-NE1 3.15Å; L288-W334 HydrophobicContact CB-CB 4.14Å; L288-W334 HydrophobicContact CB-CG 4.32Å; L288-W334 WeakPolarHBondContact O-CB 3.38Å; Q330-W334 PolarHBondContact O-N 3.1Å; Q330-W334 VanDerWaalsContact O-N 3.14Å; Q331-W334 WeakPolarHBondContact O-CB 3.47Å; Q331-W334 PolarHBondContact O-N 2.67Å; A332-W334 VanDerWaalsContact C-N 3.35Å; A332-W334 PolarHBondContact O-N 3.14Å
335M92.3Very high91.6Very high7 Ų748.5 Ų48.53%0.03424%0.236CC..Hα-helixtrans-69-40.4-179.5-69.317660.700111.7L32 L288 P291 L308 F309 W312 Q331 A332 Y333 F339L32-M335 HydrophobicContact CD2-CE 4Å; L32-M335 HydrophobicContact CD2-SD 4.47Å; L288-M335 WeakPolarHBondContact O-CG 3.4Å; P291-M335 HydrophobicContact CG-CE 4.08Å; P291-M335 HydrophobicContact CG-CG 4.49Å; P291-M335 HydrophobicContact CG-SD 4.45Å; L308-M335 HydrophobicContact CD2-CE 4.39Å; L308-M335 HydrophobicContact CG-CE 4.02Å; F309-M335 HydrophobicContact CD2-CB 4.21Å; F309-M335 HydrophobicContact CD2-CE 4.19Å; W312-M335 HydrophobicContact CB-CE 3.9Å; W312-M335 HydrophobicContact CB-SD 4.33Å; W312-M335 HydrophobicContact CD2-CE 4.43Å; W312-M335 HydrophobicContact CD2-SD 3.83Å; W312-M335 HydrophobicContact CE3-SD 4.26Å; W312-M335 HydrophobicContact CG-CE 4.08Å; W312-M335 HydrophobicContact CG-SD 3.84Å; Q331-M335 HydrophobicContact CG-SD 4.16Å; Q331-M335 PolarHBondContact O-N 3.45Å; A332-M335 PolarHBondContact O-N 2.82Å; Y333-M335 PolarHBondContact O-N 2.95Å; M335-F339 WeakPolarHBondContact O-CD2 3.43Å; M335-F339 VanDerWaalsContact O-CE2 3.3Å; M335-F339 WeakPolarHBondContact O-CE2 3.4Å
336M90.8Very high91.7Very high6 Ų651.2 Ų51.23%0.0325%0.252CS..Hα-helixtrans-90.5-26.5-174.2-63.9-61-68.200113.8F309 A332 Y333 P338 F339 L340 L348 W360 F361 Y364F309-M336 HydrophobicContact CB-SD 4.03Å; F309-M336 HydrophobicContact CD1-SD 4.38Å; F309-M336 HydrophobicContact CD2-CG 3.49Å; F309-M336 VanDerWaalsContact CD2-CG 3.49Å; F309-M336 HydrophobicContact CD2-SD 3.47Å; F309-M336 WeakPolarHBondContact CD2-SD 3.35Å; F309-M336 HydrophobicContact CE2-CG 3.3Å; F309-M336 HydrophobicContact CE2-SD 3.94Å; F309-M336 HydrophobicContact CG-CG 4.22Å; F309-M336 HydrophobicContact CG-SD 3.71Å; F309-M336 HydrophobicContact CZ-CG 3.92Å; A332-M336 WeakPolarHBondContact O-CB 3.44Å; A332-M336 WeakPolarHBondContact O-CG 3.46Å; A332-M336 PolarHBondContact O-N 3.13Å; Y333-M336 PolarHBondContact O-N 3.3Å; M336-P338 VanDerWaalsContact C-N 3.32Å; M336-P338 VanDerWaalsContact O-N 3.13Å; M336-F339 PolarHBondContact O-N 2.98Å; M336-L340 HydrophobicContact CB-CD1 3.79Å; M336-L340 HydrophobicContact CB-CG 4Å; M336-L340 HydrophobicContact CE-CD2 4.05Å; M336-L340 WeakPolarHBondContact O-CG 3.08Å; M336-L340 PolarHBondContact O-N 3.46Å; M336-L340 VanDerWaalsContact O-N 3.1Å; M336-L348 HydrophobicContact CB-CD2 3.96Å; M336-W360 HydrophobicContact CB-CH2 4.42Å; M336-W360 HydrophobicContact CE-CH2 3.99Å; M336-W360 HydrophobicContact CG-CH2 4.23Å; M336-W360 HydrophobicContact CG-CZ3 4.4Å; M336-F361 HydrophobicContact CE-CE2 4.48Å; M336-Y364 HydrophobicContact CE-CD1 4.04Å; M336-Y364 HydrophobicContact CE-CE1 3.79Å
337E88.3Confident91.7Very high37 Ų3750 Ų5017%0.17324%0.242CC..THydrogen-bonded Turntrans-46.5-46.1-176171.7-171.6-127.800113.8K289 Y333 F339 R345K289-E337 IonicContact NZ-OE2 3.61Å; K289-E337 PolarHBondContact NZ-OE2 3.46Å; Y333-E337 HydrophobicContact CD1-CB 4.25Å; Y333-E337 HydrophobicContact CE1-CB 3.9Å; Y333-E337 HydrophobicContact CE1-CG 4.02Å; Y333-E337 WeakPolarHBondContact CE1-OE1 3.31Å; Y333-E337 WeakPolarHBondContact O-CA 3.48Å; Y333-E337 WeakPolarHBondContact O-CB 3.42Å; Y333-E337 PolarHBondContact O-N 3.14Å; Y333-E337 PolarHBondContact OH-OE1 3.49Å; E337-F339 PolarHBondContact O-N 3.02Å; E337-F339 VanDerWaalsContact O-N 3.14Å; E337-R345 PolarHBondContact O-NE 3.44Å; E337-R345 VanDerWaalsContact O-NE 3.14Å; E337-R345 PolarHBondContact O-NH2 3.07Å
338P85.6Confident91.8Very high50 Ų5049.5 Ų49.533%0.32524%0.238SC..THydrogen-bonded Turntrans-59.9-24-179.7-23.935.6000114.4K289 F290 M336K289-P338 HydrophobicContact CB-CG 4.49Å; K289-P338 HydrophobicContact CD-CG 4.36Å; F290-P338 HydrophobicContact CE1-CB 4.43Å; F290-P338 HydrophobicContact CE1-CG 4.23Å; F290-P338 HydrophobicContact CZ-CB 4.48Å; F290-P338 HydrophobicContact CZ-CG 4.17Å; M336-P338 VanDerWaalsContact C-N 3.32Å; M336-P338 VanDerWaalsContact O-N 3.13Å
339F83.9Confident91.8Very high67 Ų6755.3 Ų55.329%0.29427%0.265SS..THydrogen-bonded Turntrans-106.7-18.2-170.4-49.3-64000113.3F290 L305 M335 M336 E337F290-F339 HydrophobicContact CE1-CZ 4.05Å; L305-F339 HydrophobicContact CD1-CD1 3.29Å; L305-F339 HydrophobicContact CD1-CD2 3.85Å; L305-F339 HydrophobicContact CD1-CE1 3.07Å; L305-F339 HydrophobicContact CD1-CE2 3.65Å; L305-F339 HydrophobicContact CD1-CG 3.68Å; L305-F339 HydrophobicContact CD1-CZ 3.25Å; L305-F339 HydrophobicContact CD2-CD2 4.33Å; L305-F339 HydrophobicContact CD2-CE1 4.11Å; L305-F339 HydrophobicContact CD2-CE2 3.49Å; L305-F339 VanDerWaalsContact CD2-CE2 3.49Å; L305-F339 HydrophobicContact CD2-CZ 3.35Å; L305-F339 HydrophobicContact CG-CD2 4.48Å; L305-F339 HydrophobicContact CG-CE1 4.17Å; L305-F339 HydrophobicContact CG-CE2 4.05Å; L305-F339 HydrophobicContact CG-CZ 3.87Å; M335-F339 WeakPolarHBondContact O-CD2 3.43Å; M335-F339 VanDerWaalsContact O-CE2 3.3Å; M335-F339 WeakPolarHBondContact O-CE2 3.4Å; M336-F339 PolarHBondContact O-N 2.98Å; E337-F339 PolarHBondContact O-N 3.02Å; E337-F339 VanDerWaalsContact O-N 3.14Å
340L87.7Confident91.8Very high4 Ų458.2 Ų58.22%0.02129%0.288CS..  trans-87.8140.3179-61.4-177.6000111.8M336 N344 R345 L348 W360 Y364M336-L340 HydrophobicContact CB-CD1 3.79Å; M336-L340 HydrophobicContact CB-CG 4Å; M336-L340 HydrophobicContact CE-CD2 4.05Å; M336-L340 WeakPolarHBondContact O-CG 3.08Å; M336-L340 PolarHBondContact O-N 3.46Å; M336-L340 VanDerWaalsContact O-N 3.1Å; L340-N344 HydrophobicContact CB-CB 4.02Å; L340-N344 HydrophobicContact CD1-CB 4.23Å; L340-N344 HydrophobicContact CD2-CB 3.85Å; L340-N344 HydrophobicContact CG-CB 4.23Å; L340-R345 HydrophobicContact CB-CG 3.72Å; L340-R345 HydrophobicContact CD1-CG 4.45Å; L340-R345 VanDerWaalsContact O-CZ 3.3Å; L340-R345 PolarHBondContact O-NE 3.44Å; L340-R345 PolarHBondContact O-NH2 3.25Å; L340-L348 HydrophobicContact CD1-CB 4.22Å; L340-L348 HydrophobicContact CD1-CD2 3.67Å; L340-W360 HydrophobicContact CD1-CH2 3.73Å; L340-W360 HydrophobicContact CD1-CZ2 3.67Å; L340-W360 HydrophobicContact CD2-CH2 4.11Å; L340-W360 HydrophobicContact CD2-CZ2 3.97Å; L340-W360 HydrophobicContact CG-CH2 4.49Å; L340-W360 HydrophobicContact CG-CZ2 4.47Å; L340-Y364 HydrophobicContact CD2-CD1 4.39Å; L340-Y364 HydrophobicContact CD2-CD2 4.24Å; L340-Y364 HydrophobicContact CD2-CE1 3.81Å; L340-Y364 HydrophobicContact CD2-CE2 3.67Å; L340-Y364 VanDerWaalsContact CD2-CZ 3.44Å
341D90.6Very high91.9Very high77 Ų7756.4 Ų56.441%0.41228%0.28SS..  trans-68.6173.7164.183.6-35.8000111.6T343 N344 R345D341-T343 PolarHBondContact O-N 3.22Å; D341-T343 PolarHBondContact OD1-N 3.06Å; D341-T343 VanDerWaalsContact OD2-CB 3.27Å; D341-T343 WeakPolarHBondContact OD2-CB 3.2Å; D341-T343 PolarHBondContact OD2-N 3.5Å; D341-T343 PolarHBondContact OD2-OG1 2.99Å; D341-T343 VanDerWaalsContact OD2-OG1 3.05Å; D341-N344 PolarHBondContact O-N 2.76Å; D341-N344 VanDerWaalsContact OD1-CB 3.25Å; D341-N344 WeakPolarHBondContact OD1-CB 3.25Å; D341-N344 PolarHBondContact OD1-N 2.84Å; D341-N344 PolarHBondContact OD1-ND2 3.09Å; D341-R345 VanDerWaalsContact O-CG 3.24Å; D341-R345 WeakPolarHBondContact O-CG 3.32Å; D341-R345 PolarHBondContact O-N 3.04Å
342K92.9Very high92Very high168 Ų16859.4 Ų59.473%0.7331%0.313SS*.Hα-helixtrans-58.7-36.4-179.8-174.9177.7177.7-176.10112.2L346K342-L346 WeakPolarHBondContact O-CG 3.35Å; K342-L346 PolarHBondContact O-N 2.87Å
343T93Very high92.1Very high85 Ų8562.1 Ų62.152%0.52133%0.332SS..Hα-helixtrans-66.7-52.7-177.9-47.90000110.9D341 R345 L346 I347D341-T343 PolarHBondContact O-N 3.22Å; D341-T343 PolarHBondContact OD1-N 3.06Å; D341-T343 VanDerWaalsContact OD2-CB 3.27Å; D341-T343 WeakPolarHBondContact OD2-CB 3.2Å; D341-T343 PolarHBondContact OD2-N 3.5Å; D341-T343 PolarHBondContact OD2-OG1 2.99Å; D341-T343 VanDerWaalsContact OD2-OG1 3.05Å; T343-R345 VanDerWaalsContact C-N 3.29Å; T343-R345 PolarHBondContact O-N 3.39Å; T343-L346 PolarHBondContact O-N 3.03Å; T343-L346 VanDerWaalsContact O-N 3.13Å; T343-I347 HydrophobicContact CG2-CD1 4.34Å; T343-I347 WeakPolarHBondContact O-CG1 3.5Å; T343-I347 PolarHBondContact O-N 3.5Å; T343-I347 VanDerWaalsContact O-N 3.08Å
344N91.2Very high92.1Very high37 Ų3762 Ų6220%0.19833%0.333CS..Hα-helixtrans-66.5-30.7-179.8-75.1-65.8000112.5L340 D341 I347 L348L340-N344 HydrophobicContact CB-CB 4.02Å; L340-N344 HydrophobicContact CD1-CB 4.23Å; L340-N344 HydrophobicContact CD2-CB 3.85Å; L340-N344 HydrophobicContact CG-CB 4.23Å; D341-N344 PolarHBondContact O-N 2.76Å; D341-N344 VanDerWaalsContact OD1-CB 3.25Å; D341-N344 WeakPolarHBondContact OD1-CB 3.25Å; D341-N344 PolarHBondContact OD1-N 2.84Å; D341-N344 PolarHBondContact OD1-ND2 3.09Å; N344-I347 PolarHBondContact O-N 3.33Å; N344-L348 WeakPolarHBondContact O-CB 3.27Å; N344-L348 PolarHBondContact O-N 2.82Å
345R93.2Very high92.2Very high85 Ų8564.1 Ų64.132%0.32135%0.346SS..Hα-helixtrans-61.3-42.4171.4-72175.8-163.9-174.35.2112.4Y333 E337 L340 D341 T343 H349Y333-R345 HydrophobicContact CE2-CB 4.4Å; E337-R345 PolarHBondContact O-NE 3.44Å; E337-R345 VanDerWaalsContact O-NE 3.14Å; E337-R345 PolarHBondContact O-NH2 3.07Å; L340-R345 HydrophobicContact CB-CG 3.72Å; L340-R345 HydrophobicContact CD1-CG 4.45Å; L340-R345 VanDerWaalsContact O-CZ 3.3Å; L340-R345 PolarHBondContact O-NE 3.44Å; L340-R345 PolarHBondContact O-NH2 3.25Å; D341-R345 VanDerWaalsContact O-CG 3.24Å; D341-R345 WeakPolarHBondContact O-CG 3.32Å; D341-R345 PolarHBondContact O-N 3.04Å; T343-R345 VanDerWaalsContact C-N 3.29Å; T343-R345 PolarHBondContact O-N 3.39Å; R345-H349 WeakPolarHBondContact O-CB 3.21Å; R345-H349 PolarHBondContact O-N 3.14Å
346L94.4Very high92.3Very high114 Ų11464.8 Ų64.860%0.59735%0.354SS*.Hα-helixtrans-66.8-39.7177.1-69.1173.1000111.5K342 T343 H349 S350K342-L346 WeakPolarHBondContact O-CG 3.35Å; K342-L346 PolarHBondContact O-N 2.87Å; T343-L346 PolarHBondContact O-N 3.03Å; T343-L346 VanDerWaalsContact O-N 3.13Å; L346-H349 PolarHBondContact O-N 3.26Å; L346-S350 PolarHBondContact O-N 3.23Å
347I94Very high92.6Very high74 Ų7464.5 Ų64.538%0.37935%0.353SS..Hα-helixtrans-62-54.6175.4-63169.8000109.5T343 N344 H349 S350 W360T343-I347 HydrophobicContact CG2-CD1 4.34Å; T343-I347 WeakPolarHBondContact O-CG1 3.5Å; T343-I347 PolarHBondContact O-N 3.5Å; T343-I347 VanDerWaalsContact O-N 3.08Å; N344-I347 PolarHBondContact O-N 3.33Å; I347-H349 VanDerWaalsContact C-N 3.27Å; I347-H349 PolarHBondContact O-N 3.43Å; I347-S350 PolarHBondContact O-N 2.64Å; I347-S350 PolarHBondContact O-OG 3.17Å; I347-W360 VanDerWaalsContact CG2-CD1 3.41Å; I347-W360 HydrophobicContact CG2-CG 4.48Å
348L94.1Very high92.9Very high0 Ų063.8 Ų63.80%035%0.351CS..Hα-helixtrans-53.1-45.4178.2177.454.8000111.2H329 Y333 M336 L340 N344 S350 I351 L357 W360H329-L348 PolarHBondContact NE2-O 3.04Å; Y333-L348 HydrophobicContact CD2-CD2 4.23Å; Y333-L348 HydrophobicContact CD2-CG 4.45Å; M336-L348 HydrophobicContact CB-CD2 3.96Å; L340-L348 HydrophobicContact CD1-CB 4.22Å; L340-L348 HydrophobicContact CD1-CD2 3.67Å; N344-L348 WeakPolarHBondContact O-CB 3.27Å; N344-L348 PolarHBondContact O-N 2.82Å; L348-S350 PolarHBondContact O-N 2.83Å; L348-I351 HydrophobicContact CD1-CD1 3.89Å; L348-I351 WeakPolarHBondContact O-CB 3.34Å; L348-I351 WeakPolarHBondContact O-CG1 3.47Å; L348-I351 PolarHBondContact O-N 3.37Å; L348-L357 HydrophobicContact CD1-CD1 3.41Å; L348-L357 VanDerWaalsContact CD1-CD1 3.41Å; L348-W360 HydrophobicContact CB-CH2 4.34Å; L348-W360 HydrophobicContact CB-CZ2 4.04Å; L348-W360 HydrophobicContact CD1-CD2 4.34Å; L348-W360 HydrophobicContact CD1-CE3 3.92Å; L348-W360 HydrophobicContact CD1-CH2 4.18Å; L348-W360 HydrophobicContact CD1-CZ3 3.84Å; L348-W360 HydrophobicContact CD2-CH2 3.98Å; L348-W360 HydrophobicContact CD2-CZ2 4.46Å; L348-W360 HydrophobicContact CD2-CZ3 4.32Å; L348-W360 HydrophobicContact CG-CH2 4.4Å
349H93.7Very high93.2Very high131 Ų13165.4 Ų65.461%0.60636%0.357SS*.Hα-helixtrans-60-30.8178-176.1-83000113.6R345 L346 I347 I351R345-H349 WeakPolarHBondContact O-CB 3.21Å; R345-H349 PolarHBondContact O-N 3.14Å; L346-H349 PolarHBondContact O-N 3.26Å; I347-H349 VanDerWaalsContact C-N 3.27Å; I347-H349 PolarHBondContact O-N 3.43Å; H349-I351 VanDerWaalsContact C-N 3.34Å
350S94.7Very high93.7Very high90 Ų9063.2 Ų63.263%0.62935%0.347SS*.Hα-helixtrans-83.3-6.6-177.767.90000114.6L346 I347 L348 G352L346-S350 PolarHBondContact O-N 3.23Å; I347-S350 PolarHBondContact O-N 2.64Å; I347-S350 PolarHBondContact O-OG 3.17Å; L348-S350 PolarHBondContact O-N 2.83Å; S350-G352 PolarHBondContact O-N 3.49Å
351I95.8Very high93.9Very high20 Ų2063 Ų6310%0.10335%0.346CS..  trans-67.5119.1-179.6-60.3-178.2000111F325 H329 L348 H349 S353 G356 L357 W360F325-I351 HydrophobicContact CZ-CG2 4.14Å; H329-I351 PolarHBondContact NE2-O 3.46Å; L348-I351 HydrophobicContact CD1-CD1 3.89Å; L348-I351 WeakPolarHBondContact O-CB 3.34Å; L348-I351 WeakPolarHBondContact O-CG1 3.47Å; L348-I351 PolarHBondContact O-N 3.37Å; H349-I351 VanDerWaalsContact C-N 3.34Å; I351-S353 WeakPolarHBondContact CG2-O 3.45Å; I351-G356 VanDerWaalsContact CG2-C 3.47Å; I351-L357 HydrophobicContact CD1-CD1 4.03Å; I351-L357 HydrophobicContact CG2-CB 3.97Å; I351-L357 VanDerWaalsContact CG2-N 3.26Å; I351-W360 HydrophobicContact CD1-CB 3.33Å; I351-W360 HydrophobicContact CD1-CD2 3.85Å; I351-W360 HydrophobicContact CD1-CE3 4.19Å; I351-W360 HydrophobicContact CD1-CG 3.47Å; I351-W360 VanDerWaalsContact CD1-CG 3.47Å; I351-W360 HydrophobicContact CG1-CB 4.46Å
352G95.4Very high93.8Very high70 Ų7063.9 Ų63.972%0.72235%0.346SS*.  trans-99.60.7-175.900000116.2F325 S350F325-G352 WeakPolarHBondContact CE1-O 3.46Å; S350-G352 PolarHBondContact O-N 3.49Å
353S95.9Very high93.7Very high56 Ų5663.3 Ų63.339%0.39234%0.344SS..SBendtrans-150158.9-178.572.30000113F325 I351 Q355 G356 L357F325-S353 VanDerWaalsContact CE1-N 3.3Å; F325-S353 WeakPolarHBondContact CE2-O 3.32Å; F325-S353 VanDerWaalsContact CZ-N 3.34Å; F325-S353 VanDerWaalsContact CZ-O 3.27Å; F325-S353 WeakPolarHBondContact CZ-O 3.24Å; I351-S353 WeakPolarHBondContact CG2-O 3.45Å; S353-Q355 PolarHBondContact O-N 3.46Å; S353-G356 PolarHBondContact O-N 3.48Å; S353-G356 PolarHBondContact OG-N 2.86Å; S353-L357 PolarHBondContact O-N 3.41Å
354F94.2Very high93.3Very high54 Ų5459.9 Ų59.924%0.23732%0.321CS..Hα-helixtrans-61.7-44177-173.5-93.2000111.5L313 T317 F325 V328 G356 L357 V358L313-F354 HydrophobicContact CD2-CE2 4.19Å; L313-F354 HydrophobicContact CD2-CZ 4.24Å; T317-F354 WeakPolarHBondContact OG1-CE1 3.34Å; T317-F354 WeakPolarHBondContact OG1-CZ 3.42Å; F325-F354 HydrophobicContact CD2-CB 3.9Å; F325-F354 VanDerWaalsContact CD2-N 3.29Å; F325-F354 HydrophobicContact CE2-CB 4.32Å; V328-F354 HydrophobicContact CG1-CD2 3.92Å; V328-F354 HydrophobicContact CG1-CE2 3.86Å; F354-G356 VanDerWaalsContact C-N 3.3Å; F354-G356 PolarHBondContact O-N 3.37Å; F354-L357 WeakPolarHBondContact O-CB 3.41Å; F354-L357 PolarHBondContact O-N 3.21Å; F354-L357 VanDerWaalsContact O-N 3.09Å; F354-V358 HydrophobicContact CD1-CG2 4.03Å; F354-V358 HydrophobicContact CE1-CG2 3.65Å; F354-V358 HydrophobicContact CZ-CG2 4.15Å; F354-V358 WeakPolarHBondContact O-CG2 3.49Å; F354-V358 PolarHBondContact O-N 3.45Å
355Q94.2Very high92.8Very high114 Ų11459.2 Ų59.253%0.53332%0.317SS..Hα-helixtrans-59-43.1175.3-173.160.850.100111.5S353 L357 V358 D359S353-Q355 PolarHBondContact O-N 3.46Å; Q355-L357 VanDerWaalsContact C-N 3.26Å; Q355-L357 PolarHBondContact O-N 3.14Å; Q355-V358 PolarHBondContact O-N 2.84Å; Q355-D359 PolarHBondContact NE2-OD1 2.85Å; Q355-D359 WeakPolarHBondContact O-CB 3.39Å; Q355-D359 PolarHBondContact O-N 3.48Å
356G95.9Very high92.1Very high21 Ų2162.6 Ų62.622%0.21633%0.334CS..Hα-helixtrans-62.6-32.8176.600000113.1I351 S353 F354 W360I351-G356 VanDerWaalsContact CG2-C 3.47Å; S353-G356 PolarHBondContact O-N 3.48Å; S353-G356 PolarHBondContact OG-N 2.86Å; F354-G356 VanDerWaalsContact C-N 3.3Å; F354-G356 PolarHBondContact O-N 3.37Å; G356-W360 VanDerWaalsContact O-CB 3.28Å; G356-W360 WeakPolarHBondContact O-CB 3.36Å; G356-W360 PolarHBondContact O-N 3.34Å
357L95.5Very high90.9Very high0 Ų061.3 Ų61.30%033%0.332CS..Hα-helixtrans-67.2-44.7175.5-178.963000111.2F309 W312 L313 F325 V328 A332 L348 I351 S353 F354 Q355 W360 F361F309-L357 HydrophobicContact CZ-CD1 4.24Å; W312-L357 HydrophobicContact CH2-CD2 4.5Å; W312-L357 HydrophobicContact CZ3-CD2 4.32Å; L313-L357 HydrophobicContact CD2-CD2 3.8Å; L313-L357 HydrophobicContact CD2-CG 4.11Å; F325-L357 HydrophobicContact CE2-CB 4.37Å; V328-L357 HydrophobicContact CG1-CD2 4.11Å; A332-L357 HydrophobicContact CB-CD1 4.01Å; A332-L357 HydrophobicContact CB-CD2 3.81Å; L348-L357 HydrophobicContact CD1-CD1 3.41Å; L348-L357 VanDerWaalsContact CD1-CD1 3.41Å; I351-L357 HydrophobicContact CD1-CD1 4.03Å; I351-L357 HydrophobicContact CG2-CB 3.97Å; I351-L357 VanDerWaalsContact CG2-N 3.26Å; S353-L357 PolarHBondContact O-N 3.41Å; F354-L357 WeakPolarHBondContact O-CB 3.41Å; F354-L357 PolarHBondContact O-N 3.21Å; F354-L357 VanDerWaalsContact O-N 3.09Å; Q355-L357 VanDerWaalsContact C-N 3.26Å; Q355-L357 PolarHBondContact O-N 3.14Å; L357-W360 HydrophobicContact CD1-CE3 4.06Å; L357-W360 HydrophobicContact CD1-CZ3 4.44Å; L357-W360 PolarHBondContact O-N 3.46Å; L357-F361 WeakPolarHBondContact O-CB 3.28Å; L357-F361 PolarHBondContact O-N 3.45Å
358V94.2Very high89.5Confident22 Ų2261.8 Ų61.813%0.13333%0.332CS..Hα-helixtrans-61.7-48.3175.7175.20000110.4L313 F354 Q355 W360 F361 F362L313-V358 HydrophobicContact CD1-CG2 4.36Å; L313-V358 HydrophobicContact CD2-CG2 4.43Å; F354-V358 HydrophobicContact CD1-CG2 4.03Å; F354-V358 HydrophobicContact CE1-CG2 3.65Å; F354-V358 HydrophobicContact CZ-CG2 4.15Å; F354-V358 WeakPolarHBondContact O-CG2 3.49Å; F354-V358 PolarHBondContact O-N 3.45Å; Q355-V358 PolarHBondContact O-N 2.84Å; V358-W360 PolarHBondContact O-N 3.05Å; V358-F361 PolarHBondContact O-N 3.16Å; V358-F362 HydrophobicContact CG1-CD2 3.64Å; V358-F362 HydrophobicContact CG1-CE2 3.42Å; V358-F362 VanDerWaalsContact CG1-CE2 3.42Å; V358-F362 WeakPolarHBondContact O-CD2 3.44Å; V358-F362 PolarHBondContact O-N 3.24Å
359D93.8Very high87.9Confident84 Ų8467.4 Ų67.445%0.44936%0.362SS..Hα-helixtrans-62.6-42.1179.8-65.9-15.3000112.2Q355 K363Q355-D359 PolarHBondContact NE2-OD1 2.85Å; Q355-D359 WeakPolarHBondContact O-CB 3.39Å; Q355-D359 PolarHBondContact O-N 3.48Å; D359-K363 PolarHBondContact O-N 2.74Å
360W93.7Very high85.7Confident21 Ų2167.8 Ų67.88%0.0838%0.38CS..Hα-helixtrans-61.5-46.9175.1167.478000111.3F309 M336 L340 I347 L348 I351 G356 L357 V358 F362 K363 Y364F309-W360 HydrophobicContact CE1-CZ3 4.39Å; F309-W360 HydrophobicContact CZ-CZ3 4.3Å; M336-W360 HydrophobicContact CB-CH2 4.42Å; M336-W360 HydrophobicContact CE-CH2 3.99Å; M336-W360 HydrophobicContact CG-CH2 4.23Å; M336-W360 HydrophobicContact CG-CZ3 4.4Å; L340-W360 HydrophobicContact CD1-CH2 3.73Å; L340-W360 HydrophobicContact CD1-CZ2 3.67Å; L340-W360 HydrophobicContact CD2-CH2 4.11Å; L340-W360 HydrophobicContact CD2-CZ2 3.97Å; L340-W360 HydrophobicContact CG-CH2 4.49Å; L340-W360 HydrophobicContact CG-CZ2 4.47Å; I347-W360 VanDerWaalsContact CG2-CD1 3.41Å; I347-W360 HydrophobicContact CG2-CG 4.48Å; L348-W360 HydrophobicContact CB-CH2 4.34Å; L348-W360 HydrophobicContact CB-CZ2 4.04Å; L348-W360 HydrophobicContact CD1-CD2 4.34Å; L348-W360 HydrophobicContact CD1-CE3 3.92Å; L348-W360 HydrophobicContact CD1-CH2 4.18Å; L348-W360 HydrophobicContact CD1-CZ3 3.84Å; L348-W360 HydrophobicContact CD2-CH2 3.98Å; L348-W360 HydrophobicContact CD2-CZ2 4.46Å; L348-W360 HydrophobicContact CD2-CZ3 4.32Å; L348-W360 HydrophobicContact CG-CH2 4.4Å; I351-W360 HydrophobicContact CD1-CB 3.33Å; I351-W360 HydrophobicContact CD1-CD2 3.85Å; I351-W360 HydrophobicContact CD1-CE3 4.19Å; I351-W360 HydrophobicContact CD1-CG 3.47Å; I351-W360 VanDerWaalsContact CD1-CG 3.47Å; I351-W360 HydrophobicContact CG1-CB 4.46Å; G356-W360 VanDerWaalsContact O-CB 3.28Å; G356-W360 WeakPolarHBondContact O-CB 3.36Å; G356-W360 PolarHBondContact O-N 3.34Å; L357-W360 HydrophobicContact CD1-CE3 4.06Å; L357-W360 HydrophobicContact CD1-CZ3 4.44Å; L357-W360 PolarHBondContact O-N 3.46Å; V358-W360 PolarHBondContact O-N 3.05Å; W360-F362 PolarHBondContact O-N 2.96Å; W360-K363 WeakPolarHBondContact O-CB 3.32Å; W360-K363 PolarHBondContact O-N 3.5Å; W360-K363 VanDerWaalsContact O-N 3.16Å; W360-Y364 HydrophobicContact CZ2-CG 4.35Å; W360-Y364 WeakPolarHBondContact O-CB 3.25Å; W360-Y364 PolarHBondContact O-N 3.28Å
361F91.9Very high85.3Confident0 Ų066.7 Ų66.70%037%0.367CS..Hα-helixtrans-60.7-47.8-179.3178.6-115.3000111.2R306 F309 E310 L313 M336 L357 V358 K363 Y364 L365R306-F361 HydrophobicContact CB-CZ 4.43Å; R306-F361 WeakPolarHBondContact O-CZ 3.23Å; F309-F361 HydrophobicContact CB-CE2 3.94Å; F309-F361 HydrophobicContact CB-CZ 4.04Å; F309-F361 HydrophobicContact CD1-CB 4.32Å; F309-F361 AromaticContact CD1-CD1 3.9Å; F309-F361 HydrophobicContact CD1-CD1 3.9Å; F309-F361 AromaticContact CD1-CD2 3.23Å; F309-F361 HydrophobicContact CD1-CD2 3.23Å; F309-F361 AromaticContact CD1-CE1 3.97Å; F309-F361 HydrophobicContact CD1-CE1 3.97Å; F309-F361 AromaticContact CD1-CE2 3.33Å; F309-F361 HydrophobicContact CD1-CE2 3.33Å; F309-F361 AromaticContact CD1-CG 3.54Å; F309-F361 HydrophobicContact CD1-CG 3.54Å; F309-F361 AromaticContact CD1-CZ 3.71Å; F309-F361 HydrophobicContact CD1-CZ 3.71Å; F309-F361 HydrophobicContact CE1-CB 3.88Å; F309-F361 HydrophobicContact CE1-CD1 4.25Å; F309-F361 AromaticContact CE1-CD2 3.52Å; F309-F361 HydrophobicContact CE1-CD2 3.52Å; F309-F361 HydrophobicContact CE1-CE2 4.11Å; F309-F361 AromaticContact CE1-CG 3.6Å; F309-F361 HydrophobicContact CE1-CG 3.6Å; F309-F361 HydrophobicContact CG-CD2 4.19Å; F309-F361 AromaticContact CG-CE2 3.94Å; F309-F361 HydrophobicContact CG-CE2 3.94Å; F309-F361 HydrophobicContact CG-CZ 4.33Å; E310-F361 HydrophobicContact CB-CE1 3.86Å; E310-F361 HydrophobicContact CB-CZ 4.29Å; E310-F361 HydrophobicContact CG-CE1 4.39Å; L313-F361 HydrophobicContact CD1-CB 4.16Å; L313-F361 HydrophobicContact CD1-CD1 3.76Å; L313-F361 HydrophobicContact CD1-CE1 4.46Å; L313-F361 HydrophobicContact CD1-CG 4.09Å; M336-F361 HydrophobicContact CE-CE2 4.48Å; L357-F361 WeakPolarHBondContact O-CB 3.28Å; L357-F361 PolarHBondContact O-N 3.45Å; V358-F361 PolarHBondContact O-N 3.16Å; F361-K363 VanDerWaalsContact C-N 3.28Å; F361-K363 PolarHBondContact O-N 3.26Å; F361-Y364 WeakPolarHBondContact O-CB 3.42Å; F361-Y364 PolarHBondContact O-N 2.94Å; F361-Y364 VanDerWaalsContact O-N 3.13Å; F361-L365 HydrophobicContact CD1-CD1 4.09Å; F361-L365 HydrophobicContact CD2-CG 4.49Å; F361-L365 HydrophobicContact CE1-CD1 3.6Å; F361-L365 HydrophobicContact CE1-CG 4.21Å; F361-L365 HydrophobicContact CE2-CD1 4.4Å; F361-L365 HydrophobicContact CE2-CD2 3.97Å; F361-L365 HydrophobicContact CE2-CG 4.14Å; F361-L365 HydrophobicContact CZ-CD1 3.77Å; F361-L365 HydrophobicContact CZ-CD2 3.84Å; F361-L365 HydrophobicContact CZ-CG 3.98Å; F361-L365 WeakPolarHBondContact O-CG 3.41Å; F361-L365 PolarHBondContact O-N 3.24Å
362F88.9Confident84.7Confident95 Ų9569.2 Ų69.242%0.41738%0.381SS..Hα-helixtrans-63.8-29.6176.4-76.2-61000114V358 W360 L365 K366V358-F362 HydrophobicContact CG1-CD2 3.64Å; V358-F362 HydrophobicContact CG1-CE2 3.42Å; V358-F362 VanDerWaalsContact CG1-CE2 3.42Å; V358-F362 WeakPolarHBondContact O-CD2 3.44Å; V358-F362 PolarHBondContact O-N 3.24Å; W360-F362 PolarHBondContact O-N 2.96Å; F362-L365 HydrophobicContact CD1-CD1 4.17Å; F362-K366 WeakPolarHBondContact O-CG 3.27Å; F362-K366 PolarHBondContact O-N 3.36Å
363K89Confident84.1Confident157 Ų15769.1 Ų69.168%0.68336%0.362SS*.Hα-helixtrans-70.6-44.8170.9-96.1-179.4173.8176.60112D359 W360 F361 L365 K366 T367D359-K363 PolarHBondContact O-N 2.74Å; W360-K363 WeakPolarHBondContact O-CB 3.32Å; W360-K363 PolarHBondContact O-N 3.5Å; W360-K363 VanDerWaalsContact O-N 3.16Å; F361-K363 VanDerWaalsContact C-N 3.28Å; F361-K363 PolarHBondContact O-N 3.26Å; K363-L365 VanDerWaalsContact C-N 3.3Å; K363-L365 PolarHBondContact O-N 2.8Å; K363-K366 PolarHBondContact O-N 2.81Å; K363-K366 VanDerWaalsContact O-N 3.14Å; K363-T367 PolarHBondContact O-N 3.34Å; K363-T367 PolarHBondContact O-OG1 3.24Å
364Y85.3Confident83.4Confident13 Ų1369.9 Ų69.95%0.05136%0.361CS..Hα-helixtrans-59.6-42179.3178.9-108.6000111.4M336 L340 W360 F361 K366 T367 E368M336-Y364 HydrophobicContact CE-CD1 4.04Å; M336-Y364 HydrophobicContact CE-CE1 3.79Å; L340-Y364 HydrophobicContact CD2-CD1 4.39Å; L340-Y364 HydrophobicContact CD2-CD2 4.24Å; L340-Y364 HydrophobicContact CD2-CE1 3.81Å; L340-Y364 HydrophobicContact CD2-CE2 3.67Å; L340-Y364 VanDerWaalsContact CD2-CZ 3.44Å; W360-Y364 HydrophobicContact CZ2-CG 4.35Å; W360-Y364 WeakPolarHBondContact O-CB 3.25Å; W360-Y364 PolarHBondContact O-N 3.28Å; F361-Y364 WeakPolarHBondContact O-CB 3.42Å; F361-Y364 PolarHBondContact O-N 2.94Å; F361-Y364 VanDerWaalsContact O-N 3.13Å; Y364-K366 VanDerWaalsContact C-N 3.35Å; Y364-K366 PolarHBondContact O-N 2.98Å; Y364-T367 PolarHBondContact O-N 3.4Å; Y364-T367 PolarHBondContact O-OG1 3.05Å; Y364-E368 HydrophobicContact CE2-CG 4.14Å; Y364-E368 VanDerWaalsContact CE2-OE1 3.32Å; Y364-E368 WeakPolarHBondContact CE2-OE1 3.47Å; Y364-E368 PolarHBondContact O-N 3.08Å; Y364-E368 PolarHBondContact OH-OE1 3.13Å
365L80.2Confident82.7Confident22 Ų2270.9 Ų70.912%0.11537%0.368CS..Hα-helixtrans-57-45.5173-67.3178.4000112.5R306 F361 F362 K363 T367 E368 D369R306-L365 HydrophobicContact CB-CD2 3.59Å; R306-L365 HydrophobicContact CG-CD2 3.32Å; R306-L365 PolarHBondContact NH1-O 3.46Å; F361-L365 HydrophobicContact CD1-CD1 4.09Å; F361-L365 HydrophobicContact CD2-CG 4.49Å; F361-L365 HydrophobicContact CE1-CD1 3.6Å; F361-L365 HydrophobicContact CE1-CG 4.21Å; F361-L365 HydrophobicContact CE2-CD1 4.4Å; F361-L365 HydrophobicContact CE2-CD2 3.97Å; F361-L365 HydrophobicContact CE2-CG 4.14Å; F361-L365 HydrophobicContact CZ-CD1 3.77Å; F361-L365 HydrophobicContact CZ-CD2 3.84Å; F361-L365 HydrophobicContact CZ-CG 3.98Å; F361-L365 WeakPolarHBondContact O-CG 3.41Å; F361-L365 PolarHBondContact O-N 3.24Å; F362-L365 HydrophobicContact CD1-CD1 4.17Å; K363-L365 VanDerWaalsContact C-N 3.3Å; K363-L365 PolarHBondContact O-N 2.8Å; L365-T367 PolarHBondContact O-N 3.25Å; L365-E368 PolarHBondContact O-N 3.05Å; L365-D369 PolarHBondContact O-N 3.2Å
366K78.5Confident82Confident156 Ų15668 Ų6868%0.67836%0.357SS*.Hα-helixtrans-67.9-31.5-177.4-73.1177.4-178.2-176.90114F362 K363 Y364 E368 S370F362-K366 WeakPolarHBondContact O-CG 3.27Å; F362-K366 PolarHBondContact O-N 3.36Å; K363-K366 PolarHBondContact O-N 2.81Å; K363-K366 VanDerWaalsContact O-N 3.14Å; Y364-K366 VanDerWaalsContact C-N 3.35Å; Y364-K366 PolarHBondContact O-N 2.98Å; K366-E368 VanDerWaalsContact C-N 3.34Å; K366-S370 PolarHBondContact O-OG 3.45Å
367T70Confident81Confident88 Ų8871.4 Ų71.454%0.5437%0.367SS..Hα-helixtrans-77.4-21.1-178.145.50000113.5K363 Y364 L365 S370K363-T367 PolarHBondContact O-N 3.34Å; K363-T367 PolarHBondContact O-OG1 3.24Å; Y364-T367 PolarHBondContact O-N 3.4Å; Y364-T367 PolarHBondContact O-OG1 3.05Å; L365-T367 PolarHBondContact O-N 3.25Å; T367-S370 PolarHBondContact O-OG 2.94Å
368E63.9Low79.9Confident84 Ų8476.8 Ų76.839%0.39340%0.396SS..Hα-helixtrans-97.1-20.1179.6-65.7-116.1-165.100111.8E302 Y364 L365 K366E302-E368 VanDerWaalsContact OE1-OE2 3.1Å; Y364-E368 HydrophobicContact CE2-CG 4.14Å; Y364-E368 VanDerWaalsContact CE2-OE1 3.32Å; Y364-E368 WeakPolarHBondContact CE2-OE1 3.47Å; Y364-E368 PolarHBondContact O-N 3.08Å; Y364-E368 PolarHBondContact OH-OE1 3.13Å; L365-E368 PolarHBondContact O-N 3.05Å; K366-E368 VanDerWaalsContact C-N 3.34Å
369D60.8Low78.7Confident117 Ų11781.4 Ų81.463%0.62642%0.417SS*.  trans-78.7-6.7169.6-68.8-17.6000113.3R306 L365R306-D369 IonicContact CZ-OD1 3.63Å; R306-D369 IonicContact NH1-OD1 2.72Å; R306-D369 PolarHBondContact NH1-OD1 2.7Å; R306-D369 IonicContact NH1-OD2 3.61Å; R306-D369 IonicContact NH2-OD1 2.81Å; L365-D369 PolarHBondContact O-N 3.2Å
370S48.1Very low77.3Confident140 Ų14081.2 Ų81.298%0.97942%0.415SS*.  trans-105.60177.964.80000111.6K366 T367K366-S370 PolarHBondContact O-OG 3.45Å; T367-S370 PolarHBondContact O-OG 2.94Å

Retrieved 370 of 370 residues in 653.3 ms (Link to these results)

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