A0A077ZF65_TRITR Loading...

NTP transferase and Epimerase domain containing p rotein

AlphaFold DB , UniProt , Accession A0A077ZF65, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 517 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
1M88.4Confident96.1Very high140 Ų14029 Ų2969%0.6914%0.141SC*.  0116.20173176-70.100107.5S26 H52M1-S26 WeakPolarHBondContact CB-O 3.18Å; M1-S26 WeakPolarHBondContact CE-O 3.18Å; M1-S26 WeakPolarHBondContact CG-O 3.4Å; M1-H52 VanDerWaalsContact CE-CE1 3.4Å; M1-H52 WeakPolarHBondContact CE-CE1 3.49Å
2R96Very high96.1Very high90 Ų9028.9 Ų28.934%0.3414%0.139SC..  trans-88.4153.1170.4-67.8165.3-71.7-152.1-1.2109.2D27 A28 D76 Y237 T241R2-D27 WeakPolarHBondContact CB-OD1 3.34Å; R2-D27 IonicContact CZ-OD2 2.74Å; R2-D27 PolarHBondContact N-OD1 3.49Å; R2-D27 IonicContact NE-OD1 3.07Å; R2-D27 PolarHBondContact NE-OD1 2.87Å; R2-D27 IonicContact NE-OD2 3.24Å; R2-D27 PolarHBondContact NE-OD2 2.94Å; R2-D27 IonicContact NH2-OD1 2.7Å; R2-D27 IonicContact NH2-OD2 3.71Å; R2-D27 PolarHBondContact NH2-OD2 3.33Å; R2-D27 WeakPolarHBondContact O-CA 3.29Å; R2-A28 PolarHBondContact O-N 3.41Å; R2-D76 WeakPolarHBondContact CA-OD2 3.48Å; R2-D76 HydrophobicContact CB-CB 4.24Å; R2-D76 HydrophobicContact CG-CB 4.39Å; R2-Y237 PolarHBondContact NH2-OH 3.44Å; R2-T241 VanDerWaalsContact CZ-CG2 3.41Å; R2-T241 VanDerWaalsContact NH1-CB 3.33Å
3K98.2Very high96.3Very high65 Ų6529.6 Ų29.628%0.28314%0.144SC..EExtended strand (participates in β ladder)trans-106.2119.9167.3-168.9154.4172.4-165.80109.8A28 H73 P75 D76 C77K3-A28 WeakPolarHBondContact CA-O 3.39Å; K3-A28 HydrophobicContact CG-CB 4.4Å; K3-H73 WeakPolarHBondContact CD-O 3.39Å; K3-H73 WeakPolarHBondContact CE-ND1 3.43Å; K3-H73 WeakPolarHBondContact CE-O 3.48Å; K3-H73 PolarHBondContact NZ-ND1 2.95Å; K3-H73 PolarHBondContact NZ-O 2.84Å; K3-P75 CarbonylContact O-C 3.55Å; K3-P75 WeakPolarHBondContact O-CA 3.43Å; K3-D76 PolarHBondContact N-OD2 3.15Å; K3-D76 PolarHBondContact O-N 3.2Å; K3-C77 PolarHBondContact O-N 2.63Å
4I98.7Very high96.4Very high2 Ų227.6 Ų27.61%0.0114%0.135CC..EExtended strand (participates in β ladder)trans-109.1119.7-172.9-53.6178.6000108.8I6 I21 D27 A28 V29 V30 C77 M79 Y237I4-I6 HydrophobicContact CG2-CD1 4.21Å; I4-I6 HydrophobicContact CG2-CG1 3.77Å; I4-I21 HydrophobicContact CD1-CD1 4.08Å; I4-I21 HydrophobicContact CD1-CG2 4.39Å; I4-D27 HydrophobicContact CD1-CB 4.05Å; I4-A28 PolarHBondContact N-O 3.45Å; I4-V29 CarbonylContact O-C 3.54Å; I4-V29 WeakPolarHBondContact O-CA 3.34Å; I4-V30 PolarHBondContact O-N 2.9Å; I4-C77 CarbonylContact C-O 3.5Å; I4-C77 WeakPolarHBondContact CA-O 3.48Å; I4-C77 HydrophobicContact CG1-CB 4.37Å; I4-C77 HydrophobicContact CG2-CB 4.44Å; I4-M79 HydrophobicContact CG2-CB 4.49Å; I4-M79 HydrophobicContact CG2-CG 3.81Å; I4-M79 HydrophobicContact CG2-SD 3.74Å; I4-Y237 HydrophobicContact CD1-CD2 4.47Å; I4-Y237 HydrophobicContact CD1-CE2 4.1Å
5L98.9Very high96.5Very high0 Ų025.8 Ų25.80%013%0.126CC..EExtended strand (participates in β ladder)trans-86.9119.2170.6-175.8154.7000109.3T7 V30 V32 V69 F70 P75 C77 V78 M79L5-T7 HydrophobicContact CD2-CG2 3.66Å; L5-V30 CarbonylContact C-O 3.48Å; L5-V30 WeakPolarHBondContact CA-O 3.49Å; L5-V30 HydrophobicContact CB-CG1 3.71Å; L5-V30 HydrophobicContact CD1-CG1 4.28Å; L5-V30 HydrophobicContact CG-CG1 3.94Å; L5-V32 HydrophobicContact CD1-CG2 4.17Å; L5-V32 HydrophobicContact CD2-CG2 4.12Å; L5-V32 HydrophobicContact CG-CG2 4.03Å; L5-V69 HydrophobicContact CD1-CG1 3.76Å; L5-F70 HydrophobicContact CD1-CD2 4.26Å; L5-F70 HydrophobicContact CD1-CE2 4.06Å; L5-F70 HydrophobicContact CD1-CZ 4.31Å; L5-P75 HydrophobicContact CB-CB 3.75Å; L5-P75 HydrophobicContact CB-CG 4.08Å; L5-P75 HydrophobicContact CD1-CG 4.19Å; L5-C77 PolarHBondContact N-O 2.82Å; L5-V78 HydrophobicContact CB-CG2 4.33Å; L5-V78 HydrophobicContact CD2-CG1 4.01Å; L5-V78 HydrophobicContact CD2-CG2 4.45Å; L5-V78 CarbonylContact O-C 3.59Å; L5-V78 WeakPolarHBondContact O-CA 3.49Å; L5-M79 PolarHBondContact O-N 2.83Å
6I98.9Very high96.6Very high0 Ų024.2 Ų24.20%012%0.118CC..EExtended strand (participates in β ladder)trans-114.9112.2-177.5-57.5-173.5000108.9I4 L17 V18 I21 V29 V30 V31 V32 M79 L81I4-I6 HydrophobicContact CG2-CD1 4.21Å; I4-I6 HydrophobicContact CG2-CG1 3.77Å; I6-L17 HydrophobicContact CD1-CD2 3.96Å; I6-L17 HydrophobicContact CD1-CG 4.04Å; I6-L17 HydrophobicContact CG2-CD2 4.36Å; I6-V18 HydrophobicContact CD1-CG2 4.09Å; I6-V18 HydrophobicContact CG2-CG2 4.44Å; I6-I21 HydrophobicContact CD1-CD1 3.63Å; I6-V29 HydrophobicContact CB-CG1 4.38Å; I6-V29 HydrophobicContact CD1-CG1 3.69Å; I6-V29 HydrophobicContact CD1-CG2 4.2Å; I6-V29 HydrophobicContact CG1-CG1 3.97Å; I6-V30 PolarHBondContact N-O 2.92Å; I6-V31 CarbonylContact O-C 3.57Å; I6-V31 WeakPolarHBondContact O-CA 3.11Å; I6-V32 PolarHBondContact O-N 3.03Å; I6-M79 WeakPolarHBondContact CA-O 3.33Å; I6-M79 HydrophobicContact CG1-CB 4.31Å; I6-L81 HydrophobicContact CG2-CD1 3.84Å
7T98.8Very high96.8Very high0 Ų022.8 Ų22.80%011%0.111CC..EExtended strand (participates in β ladder)trans-85.7141.717385.30000110.7L5 G9 V32 I60 M79 H80 L81 A82 L108L5-T7 HydrophobicContact CD2-CG2 3.66Å; T7-G9 VanDerWaalsContact C-N 3.28Å; T7-V32 CarbonylContact C-O 3.57Å; T7-V32 WeakPolarHBondContact CA-O 3.49Å; T7-V32 HydrophobicContact CG2-CB 4.32Å; T7-I60 HydrophobicContact CG2-CG2 4.08Å; T7-M79 PolarHBondContact N-O 3.38Å; T7-H80 PolarHBondContact OG1-ND1 3.06Å; T7-L81 CarbonylContact O-C 3.46Å; T7-L81 WeakPolarHBondContact O-CA 3.46Å; T7-L81 VanDerWaalsContact O-CB 3.3Å; T7-L81 WeakPolarHBondContact O-CB 3.18Å; T7-L81 PolarHBondContact O-N 2.87Å; T7-L81 PolarHBondContact OG1-N 3.43Å; T7-A82 PolarHBondContact O-N 2.82Å; T7-A82 WeakPolarHBondContact OG1-CB 3.39Å; T7-A82 PolarHBondContact OG1-N 3.14Å; T7-A82 VanDerWaalsContact OG1-N 3.08Å; T7-L108 HydrophobicContact CG2-CD1 4.29Å; T7-L108 HydrophobicContact CG2-CD2 3.75Å
8G97.7Very high96.9Very high9 Ų921.5 Ų21.59%0.09311%0.105CC..THydrogen-bonded Turntrans74.921.3-178.200000112.9A10 G11 V32 D33G8-A10 PolarHBondContact O-N 2.66Å; G8-G11 PolarHBondContact O-N 3.41Å; G8-V32 PolarHBondContact N-O 3.03Å; G8-D33 WeakPolarHBondContact CA-OD2 3.45Å
9G97.2Very high97Very high0 Ų021.3 Ų21.30%010%0.103CC..THydrogen-bonded Turntrans-67.6-15.8-175.300000114.3T7 G11 G14 S15 D33 L44T7-G9 VanDerWaalsContact C-N 3.28Å; G9-G11 VanDerWaalsContact C-N 3.33Å; G9-G14 CarbonylContact O-C 3.25Å; G9-G14 VanDerWaalsContact O-C 3.3Å; G9-S15 WeakPolarHBondContact O-CA 3.44Å; G9-S15 PolarHBondContact O-N 2.99Å; G9-D33 PolarHBondContact N-OD2 2.8Å; G9-L44 WeakPolarHBondContact O-CD2 3.28Å
10A91.7Very high97Very high0 Ų022.7 Ų22.70%011%0.107CC..THydrogen-bonded Turntrans-87.2-3.8172.700000112.8G8 D33 L35 N40 L44 F55G8-A10 PolarHBondContact O-N 2.66Å; A10-D33 WeakPolarHBondContact CA-OD2 3.33Å; A10-D33 HydrophobicContact CB-CB 4.08Å; A10-D33 WeakPolarHBondContact CB-OD2 3.36Å; A10-D33 PolarHBondContact N-OD2 3.21Å; A10-L35 HydrophobicContact CB-CD2 3.72Å; A10-N40 PolarHBondContact O-N 3.2Å; A10-L44 HydrophobicContact CB-CD1 4.15Å; A10-F55 HydrophobicContact CB-CE2 4.45Å
11G92.1Very high97.1Very high13 Ų1321.6 Ų21.613%0.13410%0.102CC..SBendtrans-76-176.5174.900000113.7G8 G9 S15G8-G11 PolarHBondContact O-N 3.41Å; G9-G11 VanDerWaalsContact C-N 3.33Å; G11-S15 WeakPolarHBondContact O-CB 3.4Å; G11-S15 PolarHBondContact O-N 3.04Å; G11-S15 PolarHBondContact O-OG 3.26Å
12F96.2Very high97.6Very high28 Ų2816 Ų1612%0.1238%0.075CC..Hα-helixtrans-59.9-68.5-179.5168.6-138.1000112.4G14 S15 A16 N190 P193 H195 V229F12-G14 PolarHBondContact O-N 3.22Å; F12-S15 PolarHBondContact O-N 2.91Å; F12-S15 PolarHBondContact O-OG 3.46Å; F12-A16 PolarHBondContact O-N 2.87Å; F12-N190 HydrophobicContact CE1-CB 3.77Å; F12-N190 HydrophobicContact CZ-CB 4.39Å; F12-P193 WeakPolarHBondContact CD2-O 3.49Å; F12-P193 WeakPolarHBondContact CE2-O 3.45Å; F12-H195 HydrophobicContact CD1-CB 4.25Å; F12-H195 AromaticContact CD1-CD2 3.28Å; F12-H195 WeakPolarHBondContact CD1-CD2 3.16Å; F12-H195 AromaticContact CD1-CE1 3.96Å; F12-H195 AromaticContact CD1-CG 3.67Å; F12-H195 AromaticContact CD1-NE2 3.5Å; F12-H195 WeakPolarHBondContact CD1-NE2 3.18Å; F12-H195 VanDerWaalsContact CD2-CA 3.48Å; F12-H195 HydrophobicContact CD2-CB 3.83Å; F12-H195 HydrophobicContact CE1-CB 4.06Å; F12-H195 AromaticContact CE1-CD2 3.51Å; F12-H195 AromaticContact CE1-CE1 3.49Å; F12-H195 VanDerWaalsContact CE1-CE1 3.49Å; F12-H195 WeakPolarHBondContact CE1-CE1 3.5Å; F12-H195 AromaticContact CE1-CG 3.46Å; F12-H195 VanDerWaalsContact CE1-CG 3.46Å; F12-H195 AromaticContact CE1-ND1 3.47Å; F12-H195 WeakPolarHBondContact CE1-ND1 3.39Å; F12-H195 AromaticContact CE1-NE2 3.53Å; F12-H195 HydrophobicContact CE2-CB 3.62Å; F12-H195 AromaticContact CE2-CG 3.98Å; F12-H195 HydrophobicContact CG-CB 4.14Å; F12-H195 AromaticContact CG-CD2 3.74Å; F12-H195 HydrophobicContact CZ-CB 3.75Å; F12-H195 AromaticContact CZ-CG 3.64Å; F12-H195 AromaticContact CZ-ND1 3.69Å; F12-V229 HydrophobicContact CD2-CG2 4.18Å; F12-V229 HydrophobicContact CE1-CG2 4.26Å; F12-V229 HydrophobicContact CE2-CB 3.77Å; F12-V229 HydrophobicContact CE2-CG1 3.86Å; F12-V229 HydrophobicContact CE2-CG2 3.63Å; F12-V229 HydrophobicContact CZ-CB 3.62Å; F12-V229 HydrophobicContact CZ-CG1 4.14Å; F12-V229 HydrophobicContact CZ-CG2 3.67Å
13I98.5Very high97.7Very high38 Ų3816.4 Ų16.420%0.1958%0.084CC..Hα-helixtrans-66-40.7-179.4-55.5172.6000110.7S15 A16 L17 L81 N190 V229 L236I13-S15 PolarHBondContact O-N 3.31Å; I13-A16 PolarHBondContact O-N 2.83Å; I13-L17 PolarHBondContact O-N 3.21Å; I13-L81 HydrophobicContact CB-CD2 4.15Å; I13-L81 HydrophobicContact CG2-CD2 3.76Å; I13-N190 HydrophobicContact CD1-CB 4.01Å; I13-N190 HydrophobicContact CG1-CB 4.19Å; I13-V229 HydrophobicContact CB-CG2 4.48Å; I13-V229 HydrophobicContact CG1-CG2 4.25Å; I13-L236 HydrophobicContact CG2-CD1 4Å
14G98.4Very high97.6Very high2 Ų219.9 Ų19.92%0.02110%0.101CC..Hα-helixtrans-55.2-48.5177.800000112.6G9 F12 A16 L17 V18G9-G14 CarbonylContact O-C 3.25Å; G9-G14 VanDerWaalsContact O-C 3.3Å; F12-G14 PolarHBondContact O-N 3.22Å; G14-A16 VanDerWaalsContact C-N 3.33Å; G14-A16 PolarHBondContact O-N 2.81Å; G14-L17 PolarHBondContact O-N 3.12Å; G14-V18 VanDerWaalsContact O-CG2 3.3Å; G14-V18 WeakPolarHBondContact O-CG2 3.22Å; G14-V18 PolarHBondContact O-N 3.04Å
15S97.8Very high97.6Very high0 Ų021.3 Ų21.30%011%0.11CC..Hα-helixtrans-66.5-33.9-179.669.30000113G9 G11 F12 I13 V18 R19 S43G9-S15 WeakPolarHBondContact O-CA 3.44Å; G9-S15 PolarHBondContact O-N 2.99Å; G11-S15 WeakPolarHBondContact O-CB 3.4Å; G11-S15 PolarHBondContact O-N 3.04Å; G11-S15 PolarHBondContact O-OG 3.26Å; F12-S15 PolarHBondContact O-N 2.91Å; F12-S15 PolarHBondContact O-OG 3.46Å; I13-S15 PolarHBondContact O-N 3.31Å; S15-V18 PolarHBondContact O-N 3.05Å; S15-R19 VanDerWaalsContact C-NH1 3.32Å; S15-R19 WeakPolarHBondContact O-CB 3.23Å; S15-R19 VanDerWaalsContact O-CG 3.3Å; S15-R19 WeakPolarHBondContact O-CG 3.39Å; S15-R19 PolarHBondContact O-N 3.33Å; S15-R19 PolarHBondContact O-NH1 3.47Å; S15-R19 PolarHBondContact OG-NH1 2.83Å; S15-S43 WeakPolarHBondContact OG-CB 3.29Å
16A98.7Very high97.5Very high0 Ų025 Ų250%014%0.136CC..Hα-helixtrans-63.7-45.4173.400000111.5F12 I13 G14 V18 R19 Y20 V229 A233F12-A16 PolarHBondContact O-N 2.87Å; I13-A16 PolarHBondContact O-N 2.83Å; G14-A16 VanDerWaalsContact C-N 3.33Å; G14-A16 PolarHBondContact O-N 2.81Å; A16-V18 PolarHBondContact O-N 2.99Å; A16-R19 VanDerWaalsContact CA-NH2 3.3Å; A16-R19 PolarHBondContact O-N 2.82Å; A16-Y20 WeakPolarHBondContact O-CB 3.49Å; A16-Y20 PolarHBondContact O-N 3.3Å; A16-V229 HydrophobicContact CB-CG1 4.34Å; A16-V229 HydrophobicContact CB-CG2 3.72Å; A16-A233 HydrophobicContact CB-CB 4.3Å
17L98.7Very high97.5Very high0 Ų025.2 Ų25.20%014%0.137CC..Hα-helixtrans-61.2-44.7175.7178.363.6000112.4I6 I13 G14 Y20 I21 M79 L81 A233 L236I6-L17 HydrophobicContact CD1-CD2 3.96Å; I6-L17 HydrophobicContact CD1-CG 4.04Å; I6-L17 HydrophobicContact CG2-CD2 4.36Å; I13-L17 PolarHBondContact O-N 3.21Å; G14-L17 PolarHBondContact O-N 3.12Å; L17-Y20 PolarHBondContact O-N 2.9Å; L17-I21 HydrophobicContact CD1-CD1 3.73Å; L17-I21 HydrophobicContact CD1-CG1 4.14Å; L17-I21 HydrophobicContact CG-CD1 3.82Å; L17-I21 VanDerWaalsContact O-CG1 3.31Å; L17-I21 WeakPolarHBondContact O-CG1 3.25Å; L17-I21 PolarHBondContact O-N 3.24Å; L17-M79 HydrophobicContact CD1-CE 3.91Å; L17-M79 HydrophobicContact CD1-SD 4.46Å; L17-M79 HydrophobicContact CD2-CB 4.39Å; L17-M79 HydrophobicContact CD2-CE 3.42Å; L17-M79 VanDerWaalsContact CD2-CE 3.42Å; L17-M79 HydrophobicContact CD2-SD 3.84Å; L17-M79 HydrophobicContact CG-CE 4.26Å; L17-L81 HydrophobicContact CD2-CD1 3.93Å; L17-L81 HydrophobicContact CD2-CD2 4.45Å; L17-A233 HydrophobicContact CB-CB 4.45Å; L17-L236 HydrophobicContact CD1-CB 4.13Å; L17-L236 HydrophobicContact CD2-CD1 4.29Å
18V98.7Very high97.4Very high0 Ų025.8 Ų25.80%014%0.142CC..Hα-helixtrans-61-48.2176.5179.40000110.6I6 G14 S15 A16 Y20 I21 I22 V29 V31 L44 V47 F53I6-V18 HydrophobicContact CD1-CG2 4.09Å; I6-V18 HydrophobicContact CG2-CG2 4.44Å; G14-V18 VanDerWaalsContact O-CG2 3.3Å; G14-V18 WeakPolarHBondContact O-CG2 3.22Å; G14-V18 PolarHBondContact O-N 3.04Å; S15-V18 PolarHBondContact O-N 3.05Å; A16-V18 PolarHBondContact O-N 2.99Å; V18-Y20 VanDerWaalsContact C-N 3.33Å; V18-Y20 PolarHBondContact O-N 2.7Å; V18-I21 PolarHBondContact O-N 2.93Å; V18-I22 HydrophobicContact CG1-CG1 4.24Å; V18-I22 WeakPolarHBondContact O-CG1 3.23Å; V18-I22 PolarHBondContact O-N 2.88Å; V18-V29 HydrophobicContact CG1-CG1 4.1Å; V18-V29 HydrophobicContact CG2-CG1 4.13Å; V18-V31 HydrophobicContact CG1-CG2 4.24Å; V18-V31 HydrophobicContact CG2-CG2 3.52Å; V18-L44 HydrophobicContact CB-CD2 3.75Å; V18-L44 HydrophobicContact CG1-CD2 3.79Å; V18-L44 HydrophobicContact CG2-CD2 4.03Å; V18-V47 HydrophobicContact CG1-CG2 4.07Å; V18-F53 HydrophobicContact CG1-CD2 3.89Å; V18-F53 HydrophobicContact CG1-CE2 3.88Å
19R98.5Very high97.5Very high17 Ų1725.5 Ų25.56%0.06414%0.138CC..Hα-helixtrans-60.2-43.6178.6-72.8-171-49.2-85.2-3.6111.6S15 A16 N23 S43 V47 Y194 E230S15-R19 VanDerWaalsContact C-NH1 3.32Å; S15-R19 WeakPolarHBondContact O-CB 3.23Å; S15-R19 VanDerWaalsContact O-CG 3.3Å; S15-R19 WeakPolarHBondContact O-CG 3.39Å; S15-R19 PolarHBondContact O-N 3.33Å; S15-R19 PolarHBondContact O-NH1 3.47Å; S15-R19 PolarHBondContact OG-NH1 2.83Å; A16-R19 VanDerWaalsContact CA-NH2 3.3Å; A16-R19 PolarHBondContact O-N 2.82Å; R19-N23 VanDerWaalsContact O-CB 3.25Å; R19-N23 WeakPolarHBondContact O-CB 3.01Å; R19-N23 VanDerWaalsContact O-CG 3.26Å; R19-N23 PolarHBondContact O-N 3.26Å; R19-N23 PolarHBondContact O-ND2 2.72Å; R19-S43 PolarHBondContact NH1-O 3.33Å; R19-V47 HydrophobicContact CG-CG1 4.26Å; R19-V47 HydrophobicContact CG-CG2 4.23Å; R19-Y194 VanDerWaalsContact NH1-CD2 3.26Å; R19-E230 IonicContact NH2-OE1 2.79Å; R19-E230 PolarHBondContact NH2-OE1 3.4Å; R19-E230 VanDerWaalsContact NH2-OE1 3.14Å
20Y98.5Very high97.6Very high50 Ų5025.5 Ų25.520%0.19614%0.138CC..Hα-helixtrans-59.8-50.6176.6176.4-97.2000111.6A16 L17 V18 I22 N23 E24 T25 R234 Y237A16-Y20 WeakPolarHBondContact O-CB 3.49Å; A16-Y20 PolarHBondContact O-N 3.3Å; L17-Y20 PolarHBondContact O-N 2.9Å; V18-Y20 VanDerWaalsContact C-N 3.33Å; V18-Y20 PolarHBondContact O-N 2.7Å; Y20-I22 PolarHBondContact O-N 3.25Å; Y20-N23 PolarHBondContact O-N 2.86Å; Y20-E24 HydrophobicContact CD2-CB 4.09Å; Y20-E24 HydrophobicContact CD2-CG 3.7Å; Y20-E24 HydrophobicContact CE2-CB 3.85Å; Y20-E24 HydrophobicContact CE2-CG 3.77Å; Y20-E24 HydrophobicContact CG-CG 4.47Å; Y20-E24 VanDerWaalsContact O-CB 3.23Å; Y20-E24 WeakPolarHBondContact O-CB 3.45Å; Y20-E24 WeakPolarHBondContact O-CG 3.35Å; Y20-E24 PolarHBondContact O-N 3.31Å; Y20-T25 HydrophobicContact CE1-CG2 4.32Å; Y20-R234 HydrophobicContact CD2-CG 4.08Å; Y20-R234 HydrophobicContact CE2-CG 3.48Å; Y20-R234 VanDerWaalsContact CE2-CG 3.48Å; Y20-Y237 HydrophobicContact CD1-CG 4.35Å; Y20-Y237 AromaticContact CE1-CD1 3.8Å; Y20-Y237 HydrophobicContact CE1-CD1 3.8Å; Y20-Y237 AromaticContact CE1-CG 3.78Å; Y20-Y237 HydrophobicContact CE1-CG 3.78Å
21I98.6Very high97.9Very high0 Ų025.5 Ų25.50%014%0.138CC..Hα-helixtrans-61.9-47-177.8-68.3165.2000111.3I4 I6 L17 V18 T25 D27 V29 M79 Y237I4-I21 HydrophobicContact CD1-CD1 4.08Å; I4-I21 HydrophobicContact CD1-CG2 4.39Å; I6-I21 HydrophobicContact CD1-CD1 3.63Å; L17-I21 HydrophobicContact CD1-CD1 3.73Å; L17-I21 HydrophobicContact CD1-CG1 4.14Å; L17-I21 HydrophobicContact CG-CD1 3.82Å; L17-I21 VanDerWaalsContact O-CG1 3.31Å; L17-I21 WeakPolarHBondContact O-CG1 3.25Å; L17-I21 PolarHBondContact O-N 3.24Å; V18-I21 PolarHBondContact O-N 2.93Å; I21-T25 WeakPolarHBondContact O-CB 3.42Å; I21-T25 PolarHBondContact O-N 3.1Å; I21-T25 PolarHBondContact O-OG1 3.19Å; I21-D27 HydrophobicContact CG2-CB 4.01Å; I21-V29 HydrophobicContact CB-CG2 3.87Å; I21-V29 HydrophobicContact CD1-CG2 4.22Å; I21-V29 HydrophobicContact CG2-CG2 3.43Å; I21-V29 VanDerWaalsContact CG2-CG2 3.43Å; I21-M79 HydrophobicContact CD1-SD 4.37Å; I21-Y237 HydrophobicContact CD1-CD2 4.13Å; I21-Y237 HydrophobicContact CG1-CD2 3.68Å; I21-Y237 HydrophobicContact CG1-CE2 4.1Å
22I98.2Very high98.2Very high21 Ų2124.9 Ų24.911%0.10813%0.132CC..Hα-helixtrans-67.4-36.9-177.5-64.1-64.8000112V18 Y20 V29 V47 H52 F53V18-I22 HydrophobicContact CG1-CG1 4.24Å; V18-I22 WeakPolarHBondContact O-CG1 3.23Å; V18-I22 PolarHBondContact O-N 2.88Å; Y20-I22 PolarHBondContact O-N 3.25Å; I22-V29 HydrophobicContact CD1-CB 4.13Å; I22-V29 HydrophobicContact CD1-CG2 4Å; I22-V29 HydrophobicContact CG1-CG2 4.29Å; I22-V47 HydrophobicContact CB-CB 4.19Å; I22-V47 HydrophobicContact CB-CG1 3.89Å; I22-V47 HydrophobicContact CG1-CB 4.33Å; I22-V47 HydrophobicContact CG2-CB 3.93Å; I22-V47 HydrophobicContact CG2-CG1 3.73Å; I22-H52 HydrophobicContact CD1-CB 3.95Å; I22-H52 WeakPolarHBondContact CD1-O 3.31Å; I22-F53 HydrophobicContact CD1-CB 4.19Å
23N97.9Very high98.2Very high99 Ų9924.1 Ų24.153%0.52913%0.129SC..Hα-helixtrans-88.3-32.2-175.3-66.9-22.9000113.8R19 Y20R19-N23 VanDerWaalsContact O-CB 3.25Å; R19-N23 WeakPolarHBondContact O-CB 3.01Å; R19-N23 VanDerWaalsContact O-CG 3.26Å; R19-N23 PolarHBondContact O-N 3.26Å; R19-N23 PolarHBondContact O-ND2 2.72Å; Y20-N23 PolarHBondContact O-N 2.86Å
24E97.8Very high97.8Very high139 Ų13926.5 Ų26.565%0.6514%0.138SC*.Hα-helixtrans-110.1-2.4-168.7-54.5-61.3146.400113.4Y20Y20-E24 HydrophobicContact CD2-CB 4.09Å; Y20-E24 HydrophobicContact CD2-CG 3.7Å; Y20-E24 HydrophobicContact CE2-CB 3.85Å; Y20-E24 HydrophobicContact CE2-CG 3.77Å; Y20-E24 HydrophobicContact CG-CG 4.47Å; Y20-E24 VanDerWaalsContact O-CB 3.23Å; Y20-E24 WeakPolarHBondContact O-CB 3.45Å; Y20-E24 WeakPolarHBondContact O-CG 3.35Å; Y20-E24 PolarHBondContact O-N 3.31Å
25T97.6Very high97Very high31 Ų3128.7 Ų28.719%0.1915%0.149CC..SBendtrans-139.5169.6-174.589.40000111.9Y20 I21 D27 Y237Y20-T25 HydrophobicContact CE1-CG2 4.32Å; I21-T25 WeakPolarHBondContact O-CB 3.42Å; I21-T25 PolarHBondContact O-N 3.1Å; I21-T25 PolarHBondContact O-OG1 3.19Å; T25-D27 PolarHBondContact OG1-N 3.4Å; T25-D27 VanDerWaalsContact OG1-N 3.14Å; T25-Y237 HydrophobicContact CG2-CD1 4.37Å; T25-Y237 HydrophobicContact CG2-CE1 3.74Å; T25-Y237 HydrophobicContact CG2-CE2 3.98Å
26S96.7Very high96Very high78 Ų7830.8 Ų30.855%0.54516%0.162SC..SBendtrans-95.912.9173.566.70000113.4M1M1-S26 WeakPolarHBondContact CB-O 3.18Å; M1-S26 WeakPolarHBondContact CE-O 3.18Å; M1-S26 WeakPolarHBondContact CG-O 3.4Å
27D98.3Very high94.9Very high4 Ų433.7 Ų33.72%0.02117%0.173CC..  trans-89.8150.2-177.2-68.5-34.4000111.1R2 I4 I21 T25 Y237R2-D27 WeakPolarHBondContact CB-OD1 3.34Å; R2-D27 IonicContact CZ-OD2 2.74Å; R2-D27 PolarHBondContact N-OD1 3.49Å; R2-D27 IonicContact NE-OD1 3.07Å; R2-D27 PolarHBondContact NE-OD1 2.87Å; R2-D27 IonicContact NE-OD2 3.24Å; R2-D27 PolarHBondContact NE-OD2 2.94Å; R2-D27 IonicContact NH2-OD1 2.7Å; R2-D27 IonicContact NH2-OD2 3.71Å; R2-D27 PolarHBondContact NH2-OD2 3.33Å; R2-D27 WeakPolarHBondContact O-CA 3.29Å; I4-D27 HydrophobicContact CD1-CB 4.05Å; I21-D27 HydrophobicContact CG2-CB 4.01Å; T25-D27 PolarHBondContact OG1-N 3.4Å; T25-D27 VanDerWaalsContact OG1-N 3.14Å; D27-Y237 WeakPolarHBondContact OD2-CE2 3.4Å; D27-Y237 PolarHBondContact OD2-OH 2.86Å
28A98.4Very high93.7Very high13 Ų1334.8 Ų34.811%0.10718%0.182CC..EExtended strand (participates in β ladder)trans-95.5149.7176.700000111R2 K3 I4 H52R2-A28 PolarHBondContact O-N 3.41Å; K3-A28 WeakPolarHBondContact CA-O 3.39Å; K3-A28 HydrophobicContact CG-CB 4.4Å; I4-A28 PolarHBondContact N-O 3.45Å; A28-H52 CarbonylContact C-O 3.59Å; A28-H52 WeakPolarHBondContact CA-O 3.38Å; A28-H52 HydrophobicContact CB-CB 4.23Å
29V98.7Very high92.8Very high2 Ų235.4 Ų35.41%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-122.7132.5-178.7178.70000110.8I4 I6 V18 I21 I22 V31 H52 F53 A54I4-V29 CarbonylContact O-C 3.54Å; I4-V29 WeakPolarHBondContact O-CA 3.34Å; I6-V29 HydrophobicContact CB-CG1 4.38Å; I6-V29 HydrophobicContact CD1-CG1 3.69Å; I6-V29 HydrophobicContact CD1-CG2 4.2Å; I6-V29 HydrophobicContact CG1-CG1 3.97Å; V18-V29 HydrophobicContact CG1-CG1 4.1Å; V18-V29 HydrophobicContact CG2-CG1 4.13Å; I21-V29 HydrophobicContact CB-CG2 3.87Å; I21-V29 HydrophobicContact CD1-CG2 4.22Å; I21-V29 HydrophobicContact CG2-CG2 3.43Å; I21-V29 VanDerWaalsContact CG2-CG2 3.43Å; I22-V29 HydrophobicContact CD1-CB 4.13Å; I22-V29 HydrophobicContact CD1-CG2 4Å; I22-V29 HydrophobicContact CG1-CG2 4.29Å; V29-V31 HydrophobicContact CG1-CG2 3.91Å; V29-H52 PolarHBondContact N-O 3Å; V29-F53 CarbonylContact O-C 3.58Å; V29-F53 WeakPolarHBondContact O-CA 3.44Å; V29-A54 PolarHBondContact O-N 3.36Å
30V98.7Very high91.9Very high0 Ų035.2 Ų35.20%019%0.188CC..EExtended strand (participates in β ladder)trans-111.2118.415956.70000109.1I4 L5 I6 A54 E56 H73I4-V30 PolarHBondContact O-N 2.9Å; L5-V30 CarbonylContact C-O 3.48Å; L5-V30 WeakPolarHBondContact CA-O 3.49Å; L5-V30 HydrophobicContact CB-CG1 3.71Å; L5-V30 HydrophobicContact CD1-CG1 4.28Å; L5-V30 HydrophobicContact CG-CG1 3.94Å; I6-V30 PolarHBondContact N-O 2.92Å; V30-A54 WeakPolarHBondContact CA-O 3.33Å; V30-A54 HydrophobicContact CB-CB 4.31Å; V30-A54 HydrophobicContact CG2-CB 4.23Å; V30-E56 HydrophobicContact CG2-CG 4.01Å; V30-H73 HydrophobicContact CB-CB 4.48Å; V30-H73 HydrophobicContact CG1-CB 3.98Å
31V98.5Very high91.2Very high0 Ų035.3 Ų35.30%019%0.192CC..EExtended strand (participates in β ladder)trans-87.8128.5175.6172.10000109.6I6 V18 V29 D33 L44 F53 A54 F55 E56I6-V31 CarbonylContact O-C 3.57Å; I6-V31 WeakPolarHBondContact O-CA 3.11Å; V18-V31 HydrophobicContact CG1-CG2 4.24Å; V18-V31 HydrophobicContact CG2-CG2 3.52Å; V29-V31 HydrophobicContact CG1-CG2 3.91Å; V31-D33 HydrophobicContact CG1-CB 4.17Å; V31-L44 HydrophobicContact CG1-CD1 4.33Å; V31-L44 HydrophobicContact CG2-CD1 4.36Å; V31-F53 HydrophobicContact CB-CE2 4.43Å; V31-F53 HydrophobicContact CG2-CE2 3.72Å; V31-F53 HydrophobicContact CG2-CZ 4.43Å; V31-A54 PolarHBondContact N-O 3.25Å; V31-F55 HydrophobicContact CB-CD2 3.82Å; V31-F55 HydrophobicContact CB-CE2 4.38Å; V31-F55 HydrophobicContact CG1-CD2 3.59Å; V31-F55 HydrophobicContact CG1-CE2 3.65Å; V31-F55 CarbonylContact O-C 3.53Å; V31-E56 PolarHBondContact O-N 3.43Å
32V98.5Very high90.5Very high1 Ų140.6 Ų40.61%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-110.8115169.61730000108.6L5 I6 T7 G8 E56 V58 I60 L66 V69L5-V32 HydrophobicContact CD1-CG2 4.17Å; L5-V32 HydrophobicContact CD2-CG2 4.12Å; L5-V32 HydrophobicContact CG-CG2 4.03Å; I6-V32 PolarHBondContact O-N 3.03Å; T7-V32 CarbonylContact C-O 3.57Å; T7-V32 WeakPolarHBondContact CA-O 3.49Å; T7-V32 HydrophobicContact CG2-CB 4.32Å; G8-V32 PolarHBondContact N-O 3.03Å; V32-E56 WeakPolarHBondContact CA-O 3.5Å; V32-E56 HydrophobicContact CG2-CB 4.17Å; V32-V58 HydrophobicContact CG1-CB 4.03Å; V32-V58 HydrophobicContact CG1-CG1 4.36Å; V32-I60 HydrophobicContact CG1-CG2 4.41Å; V32-L66 HydrophobicContact CG1-CD2 4.44Å; V32-V69 HydrophobicContact CG2-CG1 3.87Å
33D96.6Very high89.9Confident12 Ų1239.6 Ų39.66%0.06421%0.213CC..  trans-145.3136.9-177.8-155.1-63.2000112.4G8 G9 A10 V31 L35 F55 E56 K57 V58G8-D33 WeakPolarHBondContact CA-OD2 3.45Å; G9-D33 PolarHBondContact N-OD2 2.8Å; A10-D33 WeakPolarHBondContact CA-OD2 3.33Å; A10-D33 HydrophobicContact CB-CB 4.08Å; A10-D33 WeakPolarHBondContact CB-OD2 3.36Å; A10-D33 PolarHBondContact N-OD2 3.21Å; V31-D33 HydrophobicContact CG1-CB 4.17Å; D33-L35 HydrophobicContact CB-CD2 4.36Å; D33-L35 PolarHBondContact O-N 2.8Å; D33-L35 WeakPolarHBondContact OD1-CA 3.36Å; D33-L35 PolarHBondContact OD1-N 2.79Å; D33-F55 HydrophobicContact CB-CE2 3.89Å; D33-F55 HydrophobicContact CB-CZ 4.07Å; D33-E56 PolarHBondContact N-O 2.88Å; D33-K57 VanDerWaalsContact O-CA 3.31Å; D33-K57 WeakPolarHBondContact O-CA 3.38Å; D33-V58 CarbonylContact C-O 3.57Å; D33-V58 PolarHBondContact O-N 3.43Å
34K90.2Very high89.5Confident87 Ų8735 Ų3538%0.37819%0.188SC..  trans-73.2-17.1176.8-173.8175-177.6165.40112.5T36 D59K34-T36 HydrophobicContact CB-CG2 4.08Å; K34-T36 HydrophobicContact CD-CG2 3.93Å; K34-T36 HydrophobicContact CG-CG2 4.04Å; K34-D59 HydrophobicContact CD-CB 4.11Å; K34-D59 WeakPolarHBondContact CD-OD2 3.45Å; K34-D59 WeakPolarHBondContact CE-OD2 3.22Å; K34-D59 HydrophobicContact CG-CB 4.29Å; K34-D59 IonicContact NZ-OD2 2.68Å; K34-D59 PolarHBondContact NZ-OD2 3.35Å
35L81.3Confident89Confident48 Ų4830.8 Ų30.825%0.25118%0.178SC..  trans54.554.4-171.2-58.4178.9000111.9A10 D33 L41 F55 K57A10-L35 HydrophobicContact CB-CD2 3.72Å; D33-L35 HydrophobicContact CB-CD2 4.36Å; D33-L35 PolarHBondContact O-N 2.8Å; D33-L35 WeakPolarHBondContact OD1-CA 3.36Å; D33-L35 PolarHBondContact OD1-N 2.79Å; L35-L41 HydrophobicContact CD1-CD1 4.08Å; L35-L41 HydrophobicContact CD1-CD2 4.46Å; L35-L41 HydrophobicContact CD1-CG 4.23Å; L35-L41 HydrophobicContact CD2-CD2 3.97Å; L35-L41 HydrophobicContact CD2-CG 4.06Å; L35-F55 HydrophobicContact CD1-CE1 4.13Å; L35-F55 HydrophobicContact CD1-CZ 3.91Å; L35-F55 HydrophobicContact CD2-CE2 4.33Å; L35-F55 HydrophobicContact CD2-CZ 3.77Å; L35-F55 HydrophobicContact CG-CZ 3.87Å; L35-K57 HydrophobicContact CD1-CD 4.02Å; L35-K57 HydrophobicContact CD1-CG 4.08Å; L35-K57 HydrophobicContact CG-CG 4.28Å
36T77.5Confident88.6Confident44 Ų4433 Ų3327%0.2719%0.193SC..  trans-69.1-173.3168.675.30000110.3K34 A38 G39K34-T36 HydrophobicContact CB-CG2 4.08Å; K34-T36 HydrophobicContact CD-CG2 3.93Å; K34-T36 HydrophobicContact CG-CG2 4.04Å; T36-A38 PolarHBondContact O-N 2.83Å; T36-A38 PolarHBondContact OG1-N 3.49Å; T36-G39 PolarHBondContact O-N 3.42Å
37Y74.1Confident88.5Confident62 Ų6229.5 Ų29.524%0.24317%0.168CC..THydrogen-bonded Turntrans-52.9-25.9172.575.5-84.1000113.5E84 R89 F196 E198 R441Y37-E84 WeakPolarHBondContact CE1-OE2 3.33Å; Y37-E84 PolarHBondContact OH-OE2 3.33Å; Y37-R89 VanDerWaalsContact CD2-NH1 3.29Å; Y37-R89 VanDerWaalsContact CE2-NH1 3.34Å; Y37-R89 VanDerWaalsContact CE2-NH2 3.27Å; Y37-R89 VanDerWaalsContact CZ-CZ 3.43Å; Y37-R89 VanDerWaalsContact CZ-NH1 3.28Å; Y37-F196 HydrophobicContact CD2-CD1 4.38Å; Y37-F196 AromaticContact CD2-CE1 3.99Å; Y37-F196 HydrophobicContact CD2-CE1 3.99Å; Y37-F196 HydrophobicContact CE2-CE1 4.47Å; Y37-E198 WeakPolarHBondContact CE2-OE1 3.16Å; Y37-R441 PolarHBondContact O-NE 3.18Å; Y37-R441 PolarHBondContact O-NH2 3.37Å
38A75.4Confident88Confident23 Ų2331.2 Ų31.219%0.1918%0.183CC..THydrogen-bonded Turntrans-84.3-21.6-178.700000113.2T36 R441T36-A38 PolarHBondContact O-N 2.83Å; T36-A38 PolarHBondContact OG1-N 3.49Å; A38-R441 PolarHBondContact O-NH2 3.44Å
39G78.2Confident87.6Confident12 Ų1239.4 Ų39.412%0.12422%0.218CC..  trans-82.6134.3178.900000112.1T36T36-G39 PolarHBondContact O-N 3.42Å
40N80.6Confident87.4Confident13 Ų1341 Ų417%0.0723%0.229CC..  trans-143.8110.4177-173.67.5000111.8A10 M42 S43 W337A10-N40 PolarHBondContact O-N 3.2Å; N40-M42 PolarHBondContact O-N 2.99Å; N40-M42 WeakPolarHBondContact OD1-CB 3.38Å; N40-M42 PolarHBondContact OD1-N 3.07Å; N40-S43 VanDerWaalsContact O-CB 3.27Å; N40-S43 WeakPolarHBondContact O-CB 3.5Å; N40-S43 PolarHBondContact O-N 3.13Å; N40-S43 PolarHBondContact O-OG 3.03Å; N40-W337 PolarHBondContact ND2-NE1 3.42Å; N40-W337 VanDerWaalsContact ND2-NE1 3.2Å
41L83.8Confident87.2Confident53 Ų5349.4 Ų49.428%0.27727%0.269SS..G310 helixtrans-62.1-25.4177.3-66178.4000113.1L35 S43 L44 A45 F55L35-L41 HydrophobicContact CD1-CD1 4.08Å; L35-L41 HydrophobicContact CD1-CD2 4.46Å; L35-L41 HydrophobicContact CD1-CG 4.23Å; L35-L41 HydrophobicContact CD2-CD2 3.97Å; L35-L41 HydrophobicContact CD2-CG 4.06Å; L41-S43 PolarHBondContact O-N 2.81Å; L41-S43 VanDerWaalsContact O-N 3.15Å; L41-L44 HydrophobicContact CD2-CD1 4.46Å; L41-L44 CarbonylContact O-C 3.51Å; L41-L44 WeakPolarHBondContact O-CA 3.36Å; L41-L44 PolarHBondContact O-N 2.89Å; L41-A45 PolarHBondContact O-N 2.86Å; L41-A45 VanDerWaalsContact O-N 3.08Å; L41-F55 HydrophobicContact CD2-CD1 4.42Å; L41-F55 HydrophobicContact CD2-CD2 3.95Å; L41-F55 HydrophobicContact CD2-CE1 4.06Å; L41-F55 HydrophobicContact CD2-CE2 3.58Å; L41-F55 HydrophobicContact CD2-CG 4.38Å; L41-F55 HydrophobicContact CD2-CZ 3.66Å
42M82.8Confident87.1Confident110 Ų11052 Ų5254%0.54228%0.281SS..G310 helixtrans-62-22.4173.6-65-59.2-5800112.8N40 L44N40-M42 PolarHBondContact O-N 2.99Å; N40-M42 WeakPolarHBondContact OD1-CB 3.38Å; N40-M42 PolarHBondContact OD1-N 3.07Å; M42-L44 PolarHBondContact O-N 2.91Å
43S85.4Confident87.1Confident0 Ų053.6 Ų53.60%029%0.288CS..G310 helixtrans-74.5-16.6174.5-50.40000113.3S15 R19 N40 L41S15-S43 WeakPolarHBondContact OG-CB 3.29Å; R19-S43 PolarHBondContact NH1-O 3.33Å; N40-S43 VanDerWaalsContact O-CB 3.27Å; N40-S43 WeakPolarHBondContact O-CB 3.5Å; N40-S43 PolarHBondContact O-N 3.13Å; N40-S43 PolarHBondContact O-OG 3.03Å; L41-S43 PolarHBondContact O-N 2.81Å; L41-S43 VanDerWaalsContact O-N 3.15Å
44L90.4Very high87.1Confident3 Ų354.5 Ų54.52%0.01630%0.297CS..THydrogen-bonded Turntrans-105.6-9.3177.3-63.3175.6000112.7G9 A10 V18 V31 L41 M42 P46 V47 A48 F53 F55G9-L44 WeakPolarHBondContact O-CD2 3.28Å; A10-L44 HydrophobicContact CB-CD1 4.15Å; V18-L44 HydrophobicContact CB-CD2 3.75Å; V18-L44 HydrophobicContact CG1-CD2 3.79Å; V18-L44 HydrophobicContact CG2-CD2 4.03Å; V31-L44 HydrophobicContact CG1-CD1 4.33Å; V31-L44 HydrophobicContact CG2-CD1 4.36Å; L41-L44 HydrophobicContact CD2-CD1 4.46Å; L41-L44 CarbonylContact O-C 3.51Å; L41-L44 WeakPolarHBondContact O-CA 3.36Å; L41-L44 PolarHBondContact O-N 2.89Å; M42-L44 PolarHBondContact O-N 2.91Å; L44-P46 VanDerWaalsContact O-N 3.09Å; L44-V47 HydrophobicContact CD2-CG2 4.46Å; L44-V47 VanDerWaalsContact O-CG2 3.24Å; L44-V47 WeakPolarHBondContact O-CG2 3.42Å; L44-V47 PolarHBondContact O-N 2.92Å; L44-A48 PolarHBondContact O-N 2.81Å; L44-F53 HydrophobicContact CB-CZ 4.4Å; L44-F53 HydrophobicContact CD1-CE2 4.22Å; L44-F53 HydrophobicContact CD1-CZ 4.04Å; L44-F53 HydrophobicContact CD2-CE2 4.46Å; L44-F55 HydrophobicContact CD1-CD2 4.33Å
45A86.9Confident87.4Confident51 Ų5153.3 Ų53.342%0.42129%0.292SS..THydrogen-bonded Turntrans-47.5-38.5178.900000114.4L41 V47L41-A45 PolarHBondContact O-N 2.86Å; L41-A45 VanDerWaalsContact O-N 3.08Å; A45-V47 PolarHBondContact O-N 3.14Å; A45-V47 VanDerWaalsContact O-N 3.15Å
46P90Very high88.1Confident78 Ų7852.3 Ų52.351%0.50629%0.286SS..THydrogen-bonded Turntrans-62.4-19.4177.4-25.336.2000115.6L44L44-P46 VanDerWaalsContact O-N 3.09Å
47V93.7Very high88.9Confident4 Ų454.5 Ų54.52%0.02429%0.292CS..THydrogen-bonded Turntrans-125.1-1.9-174.4-67.80000113.4V18 R19 I22 L44 A45 Q49 S50 F53V18-V47 HydrophobicContact CG1-CG2 4.07Å; R19-V47 HydrophobicContact CG-CG1 4.26Å; R19-V47 HydrophobicContact CG-CG2 4.23Å; I22-V47 HydrophobicContact CB-CB 4.19Å; I22-V47 HydrophobicContact CB-CG1 3.89Å; I22-V47 HydrophobicContact CG1-CB 4.33Å; I22-V47 HydrophobicContact CG2-CB 3.93Å; I22-V47 HydrophobicContact CG2-CG1 3.73Å; L44-V47 HydrophobicContact CD2-CG2 4.46Å; L44-V47 VanDerWaalsContact O-CG2 3.24Å; L44-V47 WeakPolarHBondContact O-CG2 3.42Å; L44-V47 PolarHBondContact O-N 2.92Å; A45-V47 PolarHBondContact O-N 3.14Å; A45-V47 VanDerWaalsContact O-N 3.15Å; V47-Q49 PolarHBondContact O-N 3.4Å; V47-Q49 VanDerWaalsContact O-N 3.13Å; V47-S50 WeakPolarHBondContact O-CB 3.46Å; V47-S50 PolarHBondContact O-N 3.16Å; V47-F53 WeakPolarHBondContact O-CB 3.45Å
48A87.7Confident89.8Confident40 Ų4051.9 Ų51.933%0.33128%0.282SS..THydrogen-bonded Turntrans-63.4-20.9-174.300000114.2L44 F53L44-A48 PolarHBondContact O-N 2.81Å; A48-F53 HydrophobicContact CB-CE1 4.35Å
49Q90.1Very high90.7Very high184 Ų18452.5 Ų52.586%0.8628%0.282SS*.THydrogen-bonded Turntrans-97.73.7179.3-59.9-59.4-37.500113.4V47V47-Q49 PolarHBondContact O-N 3.4Å; V47-Q49 VanDerWaalsContact O-N 3.13Å
50S94.3Very high91.7Very high35 Ų3552.2 Ų52.225%0.24528%0.278CS..  trans-71.3135.7177178.90000110.9V47 H52 F53V47-S50 WeakPolarHBondContact O-CB 3.46Å; V47-S50 PolarHBondContact O-N 3.16Å; S50-H52 PolarHBondContact O-N 3.24Å; S50-H52 VanDerWaalsContact O-N 3.12Å; S50-H52 PolarHBondContact OG-N 3.4Å; S50-F53 PolarHBondContact O-N 2.88Å
51E95.5Very high92.5Very high177 Ų17753.1 Ų53.183%0.82729%0.285SS*.THydrogen-bonded Turntrans-63.1-15.3171.965.3176.7168.900113.1
52H96.2Very high93.2Very high56 Ų5654 Ų5426%0.25929%0.29SS..THydrogen-bonded Turntrans-94.14.9176.8-60.6-31.1000113.1M1 I22 A28 V29 S50M1-H52 VanDerWaalsContact CE-CE1 3.4Å; M1-H52 WeakPolarHBondContact CE-CE1 3.49Å; I22-H52 HydrophobicContact CD1-CB 3.95Å; I22-H52 WeakPolarHBondContact CD1-O 3.31Å; A28-H52 CarbonylContact C-O 3.59Å; A28-H52 WeakPolarHBondContact CA-O 3.38Å; A28-H52 HydrophobicContact CB-CB 4.23Å; V29-H52 PolarHBondContact N-O 3Å; S50-H52 PolarHBondContact O-N 3.24Å; S50-H52 VanDerWaalsContact O-N 3.12Å; S50-H52 PolarHBondContact OG-N 3.4Å
53F97.7Very high93.9Very high33 Ų3354.7 Ų54.715%0.14529%0.287CS..EExtended strand (participates in β ladder)trans-113.9135-179.5174.7-94.1000111.6V18 I22 V29 V31 L44 V47 A48 S50 F55V18-F53 HydrophobicContact CG1-CD2 3.89Å; V18-F53 HydrophobicContact CG1-CE2 3.88Å; I22-F53 HydrophobicContact CD1-CB 4.19Å; V29-F53 CarbonylContact O-C 3.58Å; V29-F53 WeakPolarHBondContact O-CA 3.44Å; V31-F53 HydrophobicContact CB-CE2 4.43Å; V31-F53 HydrophobicContact CG2-CE2 3.72Å; V31-F53 HydrophobicContact CG2-CZ 4.43Å; L44-F53 HydrophobicContact CB-CZ 4.4Å; L44-F53 HydrophobicContact CD1-CE2 4.22Å; L44-F53 HydrophobicContact CD1-CZ 4.04Å; L44-F53 HydrophobicContact CD2-CE2 4.46Å; V47-F53 WeakPolarHBondContact O-CB 3.45Å; A48-F53 HydrophobicContact CB-CE1 4.35Å; S50-F53 PolarHBondContact O-N 2.88Å; F53-F55 HydrophobicContact CE1-CB 4.04Å; F53-F55 HydrophobicContact CZ-CB 4Å; F53-F55 HydrophobicContact CZ-CD2 4.5Å
54A96.9Very high94.4Very high31 Ų3158 Ų5826%0.25631%0.314SS..EExtended strand (participates in β ladder)trans-135.3153168.800000110.5V29 V30 V31V29-A54 PolarHBondContact O-N 3.36Å; V30-A54 WeakPolarHBondContact CA-O 3.33Å; V30-A54 HydrophobicContact CB-CB 4.31Å; V30-A54 HydrophobicContact CG2-CB 4.23Å; V31-A54 PolarHBondContact N-O 3.25Å
55F96.3Very high94.8Very high62 Ų6261 Ų6127%0.27233%0.328SS..EExtended strand (participates in β ladder)trans-131.7132.5-179.9-177.3-92.5000111.4A10 V31 D33 L35 L41 L44 F53 K57A10-F55 HydrophobicContact CB-CE2 4.45Å; V31-F55 HydrophobicContact CB-CD2 3.82Å; V31-F55 HydrophobicContact CB-CE2 4.38Å; V31-F55 HydrophobicContact CG1-CD2 3.59Å; V31-F55 HydrophobicContact CG1-CE2 3.65Å; V31-F55 CarbonylContact O-C 3.53Å; D33-F55 HydrophobicContact CB-CE2 3.89Å; D33-F55 HydrophobicContact CB-CZ 4.07Å; L35-F55 HydrophobicContact CD1-CE1 4.13Å; L35-F55 HydrophobicContact CD1-CZ 3.91Å; L35-F55 HydrophobicContact CD2-CE2 4.33Å; L35-F55 HydrophobicContact CD2-CZ 3.77Å; L35-F55 HydrophobicContact CG-CZ 3.87Å; L41-F55 HydrophobicContact CD2-CD1 4.42Å; L41-F55 HydrophobicContact CD2-CD2 3.95Å; L41-F55 HydrophobicContact CD2-CE1 4.06Å; L41-F55 HydrophobicContact CD2-CE2 3.58Å; L41-F55 HydrophobicContact CD2-CG 4.38Å; L41-F55 HydrophobicContact CD2-CZ 3.66Å; L44-F55 HydrophobicContact CD1-CD2 4.33Å; F53-F55 HydrophobicContact CE1-CB 4.04Å; F53-F55 HydrophobicContact CZ-CB 4Å; F53-F55 HydrophobicContact CZ-CD2 4.5Å; F55-K57 HydrophobicContact CE1-CB 3.92Å
56E96.9Very high95.4Very high27 Ų2758.6 Ų58.613%0.12631%0.308CS..EExtended strand (participates in β ladder)trans-126.3113.7-179.6-73.9-73.5-168.200109.2V30 V31 V32 D33 V58 R68 V69 H73V30-E56 HydrophobicContact CG2-CG 4.01Å; V31-E56 PolarHBondContact O-N 3.43Å; V32-E56 WeakPolarHBondContact CA-O 3.5Å; V32-E56 HydrophobicContact CG2-CB 4.17Å; D33-E56 PolarHBondContact N-O 2.88Å; E56-V58 VanDerWaalsContact C-N 3.31Å; E56-V58 HydrophobicContact CB-CG2 4.35Å; E56-V58 PolarHBondContact O-N 2.77Å; E56-R68 IonicContact OE1-CZ 3.68Å; E56-R68 IonicContact OE1-NH1 3.02Å; E56-R68 PolarHBondContact OE1-NH1 3.02Å; E56-R68 IonicContact OE1-NH2 2.77Å; E56-R68 PolarHBondContact OE1-NH2 3.3Å; E56-R68 IonicContact OE2-CZ 3.72Å; E56-R68 IonicContact OE2-NH1 2.58Å; E56-R68 IonicContact OE2-NH2 3.97Å; E56-R68 PolarHBondContact OE2-NH2 2.73Å; E56-V69 HydrophobicContact CB-CG2 4.17Å; E56-V69 HydrophobicContact CG-CG1 4.34Å; E56-V69 HydrophobicContact CG-CG2 3.93Å; E56-H73 IonicContact OE1-CD2 2.82Å; E56-H73 IonicContact OE1-NE2 3.34Å; E56-H73 PolarHBondContact OE1-NE2 3.07Å
57K93.5Very high95.7Very high90 Ų9057.3 Ų57.339%0.39130%0.303SS..  trans-81.480176-167.1-171.6178.4176.70110.1D33 L35 F55 M362D33-K57 VanDerWaalsContact O-CA 3.31Å; D33-K57 WeakPolarHBondContact O-CA 3.38Å; L35-K57 HydrophobicContact CD1-CD 4.02Å; L35-K57 HydrophobicContact CD1-CG 4.08Å; L35-K57 HydrophobicContact CG-CG 4.28Å; F55-K57 HydrophobicContact CE1-CB 3.92Å; K57-M362 HydrophobicContact CB-CE 4.31Å; K57-M362 HydrophobicContact CD-CE 3.88Å; K57-M362 HydrophobicContact CD-CG 3.75Å; K57-M362 HydrophobicContact CD-SD 3.33Å; K57-M362 WeakPolarHBondContact CD-SD 3.49Å
58V94.4Very high96Very high7 Ų761 Ų614%0.04232%0.317CS..  trans-128.5135.5-174.7170.20000110.1V32 D33 E56 E65 L66 V69V32-V58 HydrophobicContact CG1-CB 4.03Å; V32-V58 HydrophobicContact CG1-CG1 4.36Å; D33-V58 CarbonylContact C-O 3.57Å; D33-V58 PolarHBondContact O-N 3.43Å; E56-V58 VanDerWaalsContact C-N 3.31Å; E56-V58 HydrophobicContact CB-CG2 4.35Å; E56-V58 PolarHBondContact O-N 2.77Å; V58-E65 HydrophobicContact CB-CB 4.37Å; V58-E65 HydrophobicContact CG1-CB 3.56Å; V58-E65 HydrophobicContact CG2-CB 3.89Å; V58-E65 HydrophobicContact CG2-CG 4.45Å; V58-L66 HydrophobicContact CG1-CD2 4.34Å; V58-L66 HydrophobicContact CG1-CG 4.45Å; V58-V69 HydrophobicContact CG2-CG2 4.1Å
59D94.5Very high96.5Very high36 Ų3659 Ų5919%0.19330%0.301CS..  trans-75.4132.2167.3-169.7-16.3000109.3K34 C61 D62K34-D59 HydrophobicContact CD-CB 4.11Å; K34-D59 WeakPolarHBondContact CD-OD2 3.45Å; K34-D59 WeakPolarHBondContact CE-OD2 3.22Å; K34-D59 HydrophobicContact CG-CB 4.29Å; K34-D59 IonicContact NZ-OD2 2.68Å; K34-D59 PolarHBondContact NZ-OD2 3.35Å; D59-C61 PolarHBondContact O-N 3.13Å; D59-C61 VanDerWaalsContact O-N 3.15Å; D59-C61 PolarHBondContact OD1-N 3.05Å; D59-D62 HydrophobicContact CB-CB 4.48Å; D59-D62 WeakPolarHBondContact O-CB 3.24Å; D59-D62 PolarHBondContact O-N 2.88Å
60I98.4Very high96.9Very high6 Ų650.5 Ų50.53%0.03126%0.261CS..THydrogen-bonded Turntrans-66.1-13.3175.960.2169.3000113T7 V32 D62 L66 A82 T100 T107T7-I60 HydrophobicContact CG2-CG2 4.08Å; V32-I60 HydrophobicContact CG1-CG2 4.41Å; I60-D62 VanDerWaalsContact C-N 3.35Å; I60-L66 WeakPolarHBondContact O-CD1 3.38Å; I60-A82 HydrophobicContact CD1-CB 4.05Å; I60-A82 HydrophobicContact CG2-CB 4.2Å; I60-T100 HydrophobicContact CD1-CG2 4.3Å; I60-T107 VanDerWaalsContact O-CB 3.31Å; I60-T107 WeakPolarHBondContact O-CB 3.42Å; I60-T107 WeakPolarHBondContact O-CG2 3.22Å
61C97.3Very high97Very high32 Ų3253.4 Ų53.422%0.21628%0.278CS..THydrogen-bonded Turntrans-79.7-15.4169.3-68.40000113.1D59 R63 G104D59-C61 PolarHBondContact O-N 3.13Å; D59-C61 VanDerWaalsContact O-N 3.15Å; D59-C61 PolarHBondContact OD1-N 3.05Å; C61-R63 PolarHBondContact O-N 2.77Å; C61-G104 VanDerWaalsContact SG-CA 3.57Å
62D97.6Very high97.2Very high72 Ų7250.6 Ų50.639%0.38527%0.265SS..  trans-8396.7177.8-166.8-31.5000110.8D59 I60 A64 E65 L66D59-D62 HydrophobicContact CB-CB 4.48Å; D59-D62 WeakPolarHBondContact O-CB 3.24Å; D59-D62 PolarHBondContact O-N 2.88Å; I60-D62 VanDerWaalsContact C-N 3.35Å; D62-A64 VanDerWaalsContact C-N 3.31Å; D62-A64 PolarHBondContact O-N 3.03Å; D62-A64 PolarHBondContact OD1-N 2.83Å; D62-E65 HydrophobicContact CB-CB 4.12Å; D62-E65 PolarHBondContact OD1-N 2.96Å; D62-E65 VanDerWaalsContact OD1-N 3.07Å; D62-L66 WeakPolarHBondContact O-CB 3.25Å; D62-L66 WeakPolarHBondContact O-CG 3.45Å; D62-L66 PolarHBondContact O-N 3.07Å
63R97.3Very high97.3Very high125 Ų12548.8 Ų48.847%0.47226%0.256SS..Hα-helixtrans-60.1-39.3-179.6-175.9-177.3-65.3-115.2-1.6112.9C61 A67 Y106 T107C61-R63 PolarHBondContact O-N 2.77Å; R63-A67 WeakPolarHBondContact O-CB 3.5Å; R63-A67 PolarHBondContact O-N 3.42Å; R63-Y106 PolarHBondContact NH2-OH 2.92Å; R63-Y106 VanDerWaalsContact NH2-OH 3.17Å; R63-T107 HydrophobicContact CB-CG2 3.98Å
64A97.7Very high97.3Very high69 Ų6950.9 Ų50.957%0.5727%0.266SS*.Hα-helixtrans-71.1-45.7-174.600000110.1D62 A67 R68D62-A64 VanDerWaalsContact C-N 3.31Å; D62-A64 PolarHBondContact O-N 3.03Å; D62-A64 PolarHBondContact OD1-N 2.83Å; A64-A67 PolarHBondContact O-N 3.24Å; A64-R68 PolarHBondContact O-N 2.79Å
65E98.3Very high97.4Very high67 Ų6749.4 Ų49.431%0.31325%0.254SS..Hα-helixtrans-67-39.1177.1-74.2-5611600112.3V58 D62 A67 R68 V69V58-E65 HydrophobicContact CB-CB 4.37Å; V58-E65 HydrophobicContact CG1-CB 3.56Å; V58-E65 HydrophobicContact CG2-CB 3.89Å; V58-E65 HydrophobicContact CG2-CG 4.45Å; D62-E65 HydrophobicContact CB-CB 4.12Å; D62-E65 PolarHBondContact OD1-N 2.96Å; D62-E65 VanDerWaalsContact OD1-N 3.07Å; E65-A67 VanDerWaalsContact C-N 3.33Å; E65-A67 PolarHBondContact O-N 3.48Å; E65-R68 WeakPolarHBondContact O-CB 3.44Å; E65-R68 PolarHBondContact O-N 3.3Å; E65-R68 IonicContact OE1-NE 3.25Å; E65-R68 IonicContact OE2-CZ 3.5Å; E65-R68 IonicContact OE2-NE 2.62Å; E65-R68 PolarHBondContact OE2-NE 2.58Å; E65-R68 IonicContact OE2-NH2 2.79Å; E65-R68 PolarHBondContact OE2-NH2 3.5Å; E65-V69 VanDerWaalsContact O-CG2 3.32Å; E65-V69 WeakPolarHBondContact O-CG2 3.41Å; E65-V69 PolarHBondContact O-N 2.62Å
66L98.5Very high97.5Very high0 Ų048.5 Ų48.50%025%0.252CS..Hα-helixtrans-58.9-44.6171.6-76.6178.6000111.8V32 V58 I60 D62 R68 V69 F70 T107 L108 A111V32-L66 HydrophobicContact CG1-CD2 4.44Å; V58-L66 HydrophobicContact CG1-CD2 4.34Å; V58-L66 HydrophobicContact CG1-CG 4.45Å; I60-L66 WeakPolarHBondContact O-CD1 3.38Å; D62-L66 WeakPolarHBondContact O-CB 3.25Å; D62-L66 WeakPolarHBondContact O-CG 3.45Å; D62-L66 PolarHBondContact O-N 3.07Å; L66-R68 VanDerWaalsContact C-N 3.3Å; L66-R68 PolarHBondContact O-N 2.9Å; L66-V69 PolarHBondContact O-N 3.25Å; L66-F70 VanDerWaalsContact O-CD2 3.28Å; L66-F70 WeakPolarHBondContact O-CD2 3.39Å; L66-F70 PolarHBondContact O-N 3.1Å; L66-T107 HydrophobicContact CD1-CG2 4.02Å; L66-L108 HydrophobicContact CD1-CB 4.42Å; L66-L108 HydrophobicContact CD1-CD1 4.23Å; L66-L108 HydrophobicContact CD2-CD1 4.06Å; L66-A111 HydrophobicContact CB-CB 4.01Å; L66-A111 HydrophobicContact CD1-CB 4.35Å
67A97.8Very high97.5Very high50 Ų5047.5 Ų47.541%0.41325%0.248SC..Hα-helixtrans-61-39.3177.700000112.2R63 A64 E65 T71R63-A67 WeakPolarHBondContact O-CB 3.5Å; R63-A67 PolarHBondContact O-N 3.42Å; A64-A67 PolarHBondContact O-N 3.24Å; E65-A67 VanDerWaalsContact C-N 3.33Å; E65-A67 PolarHBondContact O-N 3.48Å; A67-T71 WeakPolarHBondContact O-CB 3.48Å; A67-T71 PolarHBondContact O-N 3.28Å; A67-T71 VanDerWaalsContact O-N 3.13Å; A67-T71 PolarHBondContact O-OG1 3.36Å
68R98.4Very high97.8Very high81 Ų8143.2 Ų43.231%0.30623%0.229SC..Hα-helixtrans-60-54.1172.4-176.4-168.662.776.3-3.3110.9E56 A64 E65 L66 F70 T71 E72E56-R68 IonicContact OE1-CZ 3.68Å; E56-R68 IonicContact OE1-NH1 3.02Å; E56-R68 PolarHBondContact OE1-NH1 3.02Å; E56-R68 IonicContact OE1-NH2 2.77Å; E56-R68 PolarHBondContact OE1-NH2 3.3Å; E56-R68 IonicContact OE2-CZ 3.72Å; E56-R68 IonicContact OE2-NH1 2.58Å; E56-R68 IonicContact OE2-NH2 3.97Å; E56-R68 PolarHBondContact OE2-NH2 2.73Å; A64-R68 PolarHBondContact O-N 2.79Å; E65-R68 WeakPolarHBondContact O-CB 3.44Å; E65-R68 PolarHBondContact O-N 3.3Å; E65-R68 IonicContact OE1-NE 3.25Å; E65-R68 IonicContact OE2-CZ 3.5Å; E65-R68 IonicContact OE2-NE 2.62Å; E65-R68 PolarHBondContact OE2-NE 2.58Å; E65-R68 IonicContact OE2-NH2 2.79Å; E65-R68 PolarHBondContact OE2-NH2 3.5Å; L66-R68 VanDerWaalsContact C-N 3.3Å; L66-R68 PolarHBondContact O-N 2.9Å; R68-F70 PolarHBondContact O-N 3.39Å; R68-T71 WeakPolarHBondContact O-CB 3.3Å; R68-T71 PolarHBondContact O-N 3.14Å; R68-E72 IonicContact CZ-OE2 2.77Å; R68-E72 IonicContact NH1-OE2 2.68Å; R68-E72 PolarHBondContact NH1-OE2 3.06Å; R68-E72 WeakPolarHBondContact O-CB 3.27Å; R68-E72 PolarHBondContact O-N 3.35Å
69V98.6Very high98Very high0 Ų042.9 Ų42.90%023%0.227CC..Hα-helixtrans-57.8-45.7-177.4171.40000111.6L5 V32 E56 V58 E65 L66 T71 E72 H73L5-V69 HydrophobicContact CD1-CG1 3.76Å; V32-V69 HydrophobicContact CG2-CG1 3.87Å; E56-V69 HydrophobicContact CB-CG2 4.17Å; E56-V69 HydrophobicContact CG-CG1 4.34Å; E56-V69 HydrophobicContact CG-CG2 3.93Å; V58-V69 HydrophobicContact CG2-CG2 4.1Å; E65-V69 VanDerWaalsContact O-CG2 3.32Å; E65-V69 WeakPolarHBondContact O-CG2 3.41Å; E65-V69 PolarHBondContact O-N 2.62Å; L66-V69 PolarHBondContact O-N 3.25Å; V69-T71 VanDerWaalsContact C-N 3.32Å; V69-T71 PolarHBondContact O-N 3.34Å; V69-E72 PolarHBondContact O-N 3.48Å; V69-H73 WeakPolarHBondContact O-CB 3.05Å; V69-H73 PolarHBondContact O-CD2 2.89Å; V69-H73 PolarHBondContact O-N 3.39Å
70F98.6Very high98.2Very high4 Ų441.2 Ų41.22%0.01822%0.219CC..Hα-helixtrans-62.3-39.7176.6-88.5-96000112.2L5 L66 R68 Q74 P75 V78 L108 A111 A112 Y115L5-F70 HydrophobicContact CD1-CD2 4.26Å; L5-F70 HydrophobicContact CD1-CE2 4.06Å; L5-F70 HydrophobicContact CD1-CZ 4.31Å; L66-F70 VanDerWaalsContact O-CD2 3.28Å; L66-F70 WeakPolarHBondContact O-CD2 3.39Å; L66-F70 PolarHBondContact O-N 3.1Å; R68-F70 PolarHBondContact O-N 3.39Å; F70-Q74 WeakPolarHBondContact O-CA 3.48Å; F70-Q74 PolarHBondContact O-N 2.96Å; F70-P75 HydrophobicContact CD1-CG 3.8Å; F70-P75 HydrophobicContact CE1-CG 3.96Å; F70-V78 HydrophobicContact CE1-CG2 3.76Å; F70-V78 HydrophobicContact CZ-CG2 3.7Å; F70-L108 HydrophobicContact CE2-CD1 3.89Å; F70-L108 HydrophobicContact CZ-CD1 4.14Å; F70-A111 HydrophobicContact CD2-CB 4.28Å; F70-A111 HydrophobicContact CE2-CB 4.12Å; F70-A112 HydrophobicContact CE1-CB 4.11Å; F70-A112 HydrophobicContact CZ-CB 3.95Å; F70-Y115 HydrophobicContact CB-CD2 4.12Å; F70-Y115 HydrophobicContact CB-CG 4.24Å; F70-Y115 AromaticContact CD1-CD1 3.6Å; F70-Y115 HydrophobicContact CD1-CD1 3.6Å; F70-Y115 HydrophobicContact CD1-CD2 4.14Å; F70-Y115 HydrophobicContact CD1-CE1 4.29Å; F70-Y115 AromaticContact CD1-CG 3.51Å; F70-Y115 HydrophobicContact CD1-CG 3.51Å; F70-Y115 HydrophobicContact CE1-CD1 4.06Å; F70-Y115 HydrophobicContact CE1-CG 4.31Å; F70-Y115 HydrophobicContact CG-CG 4.3Å
71T97.7Very high98.2Very high97 Ų9742.2 Ų42.260%0.59522%0.224SC*.Hα-helixtrans-67-44.4179-58.70000111.7A67 R68 V69 Q74A67-T71 WeakPolarHBondContact O-CB 3.48Å; A67-T71 PolarHBondContact O-N 3.28Å; A67-T71 VanDerWaalsContact O-N 3.13Å; A67-T71 PolarHBondContact O-OG1 3.36Å; R68-T71 WeakPolarHBondContact O-CB 3.3Å; R68-T71 PolarHBondContact O-N 3.14Å; V69-T71 VanDerWaalsContact C-N 3.32Å; V69-T71 PolarHBondContact O-N 3.34Å; T71-Q74 WeakPolarHBondContact O-CG 3.43Å; T71-Q74 PolarHBondContact O-NE2 2.93Å
72E98.1Very high98.2Very high118 Ų11841.5 Ų41.555%0.55122%0.22SC*.Hα-helixtrans-71.7-46.4-178.5179.5168.9177.200112.2R68 V69R68-E72 IonicContact CZ-OE2 2.77Å; R68-E72 IonicContact NH1-OE2 2.68Å; R68-E72 PolarHBondContact NH1-OE2 3.06Å; R68-E72 WeakPolarHBondContact O-CB 3.27Å; R68-E72 PolarHBondContact O-N 3.35Å; V69-E72 PolarHBondContact O-N 3.48Å
73H98Very high98.2Very high17 Ų1739.4 Ų39.48%0.07921%0.212CC..Hα-helixtrans-88.9-23.6-172.2-71.5-86.9000114.3K3 V30 E56 V69K3-H73 WeakPolarHBondContact CD-O 3.39Å; K3-H73 WeakPolarHBondContact CE-ND1 3.43Å; K3-H73 WeakPolarHBondContact CE-O 3.48Å; K3-H73 PolarHBondContact NZ-ND1 2.95Å; K3-H73 PolarHBondContact NZ-O 2.84Å; V30-H73 HydrophobicContact CB-CB 4.48Å; V30-H73 HydrophobicContact CG1-CB 3.98Å; E56-H73 IonicContact OE1-CD2 2.82Å; E56-H73 IonicContact OE1-NE2 3.34Å; E56-H73 PolarHBondContact OE1-NE2 3.07Å; V69-H73 WeakPolarHBondContact O-CB 3.05Å; V69-H73 PolarHBondContact O-CD2 2.89Å; V69-H73 PolarHBondContact O-N 3.39Å
74Q98Very high97.9Very high77 Ų7734.2 Ų34.236%0.3619%0.194SC..  trans4957.9179.8-63.1-69.6-43.900113.4F70 T71 Y115F70-Q74 WeakPolarHBondContact O-CA 3.48Å; F70-Q74 PolarHBondContact O-N 2.96Å; T71-Q74 WeakPolarHBondContact O-CG 3.43Å; T71-Q74 PolarHBondContact O-NE2 2.93Å; Q74-Y115 VanDerWaalsContact CA-OH 3.22Å; Q74-Y115 WeakPolarHBondContact CA-OH 3.41Å; Q74-Y115 PolarHBondContact OE1-OH 3.38Å; Q74-Y115 VanDerWaalsContact OE1-OH 3.05Å
75P98.4Very high97.6Very high0 Ų032.9 Ų32.90%018%0.18CC..  trans-69.4139-173.829.9-35.5000112.9K3 L5 F70 Y115 F127K3-P75 CarbonylContact O-C 3.55Å; K3-P75 WeakPolarHBondContact O-CA 3.43Å; L5-P75 HydrophobicContact CB-CB 3.75Å; L5-P75 HydrophobicContact CB-CG 4.08Å; L5-P75 HydrophobicContact CD1-CG 4.19Å; F70-P75 HydrophobicContact CD1-CG 3.8Å; F70-P75 HydrophobicContact CE1-CG 3.96Å; P75-Y115 HydrophobicContact CG-CE1 4.29Å; P75-Y115 WeakPolarHBondContact O-CE1 3.1Å; P75-Y115 PolarHBondContact O-OH 3.45Å; P75-F127 WeakPolarHBondContact O-CE2 3.35Å
76D98.3Very high96.9Very high44 Ų4430.5 Ų30.524%0.23517%0.169CC..SBendtrans-82.2-22.4171.2-54.6-70.2000111.8R2 K3 F127 R128R2-D76 WeakPolarHBondContact CA-OD2 3.48Å; R2-D76 HydrophobicContact CB-CB 4.24Å; R2-D76 HydrophobicContact CG-CB 4.39Å; K3-D76 PolarHBondContact N-OD2 3.15Å; K3-D76 PolarHBondContact O-N 3.2Å; D76-F127 WeakPolarHBondContact O-CA 3.46Å; D76-F127 WeakPolarHBondContact O-CD2 3.31Å; D76-R128 PolarHBondContact O-N 3.44Å
77C98.4Very high96.4Very high6 Ų631.1 Ų31.14%0.04117%0.173CC..EExtended strand (participates in β ladder)trans-144.2143.5178.3-179.80000110.9K3 I4 L5 R128K3-C77 PolarHBondContact O-N 2.63Å; I4-C77 CarbonylContact C-O 3.5Å; I4-C77 WeakPolarHBondContact CA-O 3.48Å; I4-C77 HydrophobicContact CG1-CB 4.37Å; I4-C77 HydrophobicContact CG2-CB 4.44Å; L5-C77 PolarHBondContact N-O 2.82Å; C77-R128 CarbonylContact C-O 3.51Å; C77-R128 VanDerWaalsContact CA-O 3.31Å; C77-R128 WeakPolarHBondContact CA-O 3.38Å
78V98.9Very high95.5Very high0 Ų030.2 Ų30.20%016%0.161CC..EExtended strand (participates in β ladder)trans-111.4127.9168.6176.80000108.5L5 F70 L108 F127 R128 F129 H130L5-V78 HydrophobicContact CB-CG2 4.33Å; L5-V78 HydrophobicContact CD2-CG1 4.01Å; L5-V78 HydrophobicContact CD2-CG2 4.45Å; L5-V78 CarbonylContact O-C 3.59Å; L5-V78 WeakPolarHBondContact O-CA 3.49Å; F70-V78 HydrophobicContact CE1-CG2 3.76Å; F70-V78 HydrophobicContact CZ-CG2 3.7Å; V78-L108 HydrophobicContact CG1-CD2 4.41Å; V78-F127 HydrophobicContact CG2-CE2 4.35Å; V78-F127 HydrophobicContact CG2-CZ 3.88Å; V78-R128 PolarHBondContact N-O 3.32Å; V78-F129 HydrophobicContact CB-CD2 3.83Å; V78-F129 HydrophobicContact CB-CE2 4.21Å; V78-F129 HydrophobicContact CB-CG 4.5Å; V78-F129 HydrophobicContact CG1-CD2 3.89Å; V78-F129 HydrophobicContact CG1-CE2 3.74Å; V78-F129 HydrophobicContact CG1-CZ 4.41Å; V78-F129 HydrophobicContact CG2-CD2 4.34Å; V78-H130 PolarHBondContact O-N 2.93Å
79M98.9Very high94.7Very high0 Ų029.9 Ų29.90%016%0.16CC..EExtended strand (participates in β ladder)trans-114.8108.8169.9-59.8-179.57500108.5I4 L5 I6 T7 L17 I21 L81 H130 I132 L236 A240I4-M79 HydrophobicContact CG2-CB 4.49Å; I4-M79 HydrophobicContact CG2-CG 3.81Å; I4-M79 HydrophobicContact CG2-SD 3.74Å; L5-M79 PolarHBondContact O-N 2.83Å; I6-M79 WeakPolarHBondContact CA-O 3.33Å; I6-M79 HydrophobicContact CG1-CB 4.31Å; T7-M79 PolarHBondContact N-O 3.38Å; L17-M79 HydrophobicContact CD1-CE 3.91Å; L17-M79 HydrophobicContact CD1-SD 4.46Å; L17-M79 HydrophobicContact CD2-CB 4.39Å; L17-M79 HydrophobicContact CD2-CE 3.42Å; L17-M79 VanDerWaalsContact CD2-CE 3.42Å; L17-M79 HydrophobicContact CD2-SD 3.84Å; L17-M79 HydrophobicContact CG-CE 4.26Å; I21-M79 HydrophobicContact CD1-SD 4.37Å; M79-L81 HydrophobicContact CB-CD1 4.14Å; M79-H130 WeakPolarHBondContact CA-O 3.29Å; M79-H130 HydrophobicContact CG-CB 4.3Å; M79-I132 HydrophobicContact CB-CD1 4.19Å; M79-L236 HydrophobicContact CE-CB 3.72Å; M79-L236 WeakPolarHBondContact CE-O 3.31Å; M79-A240 HydrophobicContact CE-CB 3.87Å; M79-A240 HydrophobicContact CG-CB 4.25Å; M79-A240 HydrophobicContact SD-CB 3.89Å
80H98.9Very high94.1Very high1 Ų129.9 Ų29.91%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-98.2101.4-170177.925.9000111.7T7 A82 T105 L108 F129 H130 H131 I132T7-H80 PolarHBondContact OG1-ND1 3.06Å; H80-A82 PolarHBondContact CE1-O 3.01Å; H80-A82 VanDerWaalsContact CE1-O 3.23Å; H80-T105 PolarHBondContact NE2-OG1 2.84Å; H80-T105 VanDerWaalsContact NE2-OG1 3.07Å; H80-L108 HydrophobicContact CB-CD2 3.89Å; H80-L108 VanDerWaalsContact CG-CD2 3.45Å; H80-F129 HydrophobicContact CB-CE1 4.31Å; H80-F129 HydrophobicContact CB-CZ 4.15Å; H80-H130 PolarHBondContact N-O 3.43Å; H80-H131 AromaticContact CD2-CE1 3.72Å; H80-H131 AromaticContact CD2-ND1 3.29Å; H80-H131 PolarHBondContact CD2-ND1 2.89Å; H80-H131 VanDerWaalsContact CD2-ND1 3.29Å; H80-H131 AromaticContact CG-ND1 3.99Å; H80-I132 WeakPolarHBondContact O-CD1 3.49Å; H80-I132 PolarHBondContact O-N 2.79Å; H80-I132 VanDerWaalsContact O-N 3.09Å
81L98.7Very high93.2Very high27 Ų2732.9 Ų32.914%0.14118%0.175CC..  trans-113.3-16.4177.4-59.484.9000113.7I6 T7 I13 L17 M79 A83 I132 L236I6-L81 HydrophobicContact CG2-CD1 3.84Å; T7-L81 CarbonylContact O-C 3.46Å; T7-L81 WeakPolarHBondContact O-CA 3.46Å; T7-L81 VanDerWaalsContact O-CB 3.3Å; T7-L81 WeakPolarHBondContact O-CB 3.18Å; T7-L81 PolarHBondContact O-N 2.87Å; T7-L81 PolarHBondContact OG1-N 3.43Å; I13-L81 HydrophobicContact CB-CD2 4.15Å; I13-L81 HydrophobicContact CG2-CD2 3.76Å; L17-L81 HydrophobicContact CD2-CD1 3.93Å; L17-L81 HydrophobicContact CD2-CD2 4.45Å; M79-L81 HydrophobicContact CB-CD1 4.14Å; L81-A83 PolarHBondContact O-N 3.22Å; L81-A83 VanDerWaalsContact O-N 3.16Å; L81-I132 HydrophobicContact CD1-CD1 3.67Å; L81-I132 HydrophobicContact CD1-CG1 4.17Å; L81-I132 HydrophobicContact CD2-CG1 4.44Å; L81-I132 HydrophobicContact CD2-CG2 4.49Å; L81-I132 HydrophobicContact CG-CB 3.94Å; L81-I132 HydrophobicContact CG-CD1 3.85Å; L81-I132 HydrophobicContact CG-CG1 3.83Å; L81-I132 HydrophobicContact CG-CG2 4.27Å; L81-L236 HydrophobicContact CD2-CD1 4.13Å
82A97.9Very high92.1Very high16 Ų1633.2 Ų33.213%0.13217%0.173CC..  trans-56.4119.5179.500000111.3T7 I60 H80T7-A82 PolarHBondContact O-N 2.82Å; T7-A82 WeakPolarHBondContact OG1-CB 3.39Å; T7-A82 PolarHBondContact OG1-N 3.14Å; T7-A82 VanDerWaalsContact OG1-N 3.08Å; I60-A82 HydrophobicContact CD1-CB 4.05Å; I60-A82 HydrophobicContact CG2-CB 4.2Å; H80-A82 PolarHBondContact CE1-O 3.01Å; H80-A82 VanDerWaalsContact CE1-O 3.23Å
83A97.3Very high91.1Very high28 Ų2829 Ų2923%0.23116%0.162CC..  trans-164.3155.7178.600000110.5L81 N101 K164L81-A83 PolarHBondContact O-N 3.22Å; L81-A83 VanDerWaalsContact O-N 3.16Å; A83-N101 WeakPolarHBondContact CA-OD1 3.33Å; A83-N101 VanDerWaalsContact CB-OD1 3.32Å; A83-N101 WeakPolarHBondContact CB-OD1 3.32Å; A83-K164 HydrophobicContact CB-CD 4.39Å
84E91.1Very high90.7Very high17 Ų1730.9 Ų30.98%0.07918%0.175CC..  trans-78.7128156.3-76.2-60.5152.600109.2Y37 A96 F97 N101 Y160Y37-E84 WeakPolarHBondContact CE1-OE2 3.33Å; Y37-E84 PolarHBondContact OH-OE2 3.33Å; E84-A96 HydrophobicContact CG-CB 4.26Å; E84-F97 VanDerWaalsContact C-CE1 3.4Å; E84-F97 HydrophobicContact CB-CD1 3.67Å; E84-F97 HydrophobicContact CB-CD2 4.09Å; E84-F97 HydrophobicContact CB-CE1 3.65Å; E84-F97 HydrophobicContact CB-CE2 4.04Å; E84-F97 HydrophobicContact CB-CG 3.89Å; E84-F97 HydrophobicContact CB-CZ 3.82Å; E84-F97 WeakPolarHBondContact O-CD1 3.38Å; E84-F97 VanDerWaalsContact O-CE1 3.26Å; E84-F97 WeakPolarHBondContact O-CE1 3.21Å; E84-N101 PolarHBondContact N-OD1 3.38Å; E84-N101 PolarHBondContact O-ND2 3.23Å; E84-Y160 VanDerWaalsContact O-CD2 3.28Å; E84-Y160 WeakPolarHBondContact O-CD2 3.43Å; E84-Y160 WeakPolarHBondContact O-CE2 3.44Å
85S90.7Very high90.2Very high41 Ų4130.7 Ų30.729%0.28719%0.187SC..  trans-129.94.4-163.568.70000116.3K199S85-K199 PolarHBondContact O-NZ 3.44Å
86H84.5Confident89.6Confident17 Ų1732.6 Ų32.68%0.07920%0.203CC..  trans-98.7107.7-177.8-161.6-78.2000112D88 R89 S90 F97 E198H86-D88 VanDerWaalsContact C-N 3.32Å; H86-D88 IonicContact CE1-OD2 2.7Å; H86-D88 PolarHBondContact CE1-OD2 3.26Å; H86-D88 PolarHBondContact ND1-N 3.47Å; H86-D88 IonicContact ND1-OD2 2.8Å; H86-D88 IonicContact NE2-OD2 2.7Å; H86-D88 PolarHBondContact O-N 2.89Å; H86-R89 HydrophobicContact CB-CB 4.02Å; H86-R89 HydrophobicContact CB-CG 3.81Å; H86-R89 PolarHBondContact ND1-N 2.76Å; H86-R89 WeakPolarHBondContact O-CB 3.46Å; H86-R89 PolarHBondContact O-N 3.15Å; H86-S90 PolarHBondContact O-N 3.49Å; H86-F97 WeakPolarHBondContact O-CZ 3.24Å; H86-E198 VanDerWaalsContact CD2-CG 3.48Å; H86-E198 WeakPolarHBondContact CD2-CG 3.26Å; H86-E198 IonicContact CD2-OE1 3.37Å; H86-E198 PolarHBondContact CD2-OE1 2.94Å; H86-E198 IonicContact CD2-OE2 2.67Å; H86-E198 IonicContact CG-OE1 2.73Å
87V87.1Confident89.3Confident12 Ų1230.7 Ų30.77%0.07319%0.192CC..Hα-helixtrans-51-47.6-178-178.10000112.3R89 S90 I91 Y160V87-R89 VanDerWaalsContact C-N 3.29Å; V87-R89 PolarHBondContact O-N 2.89Å; V87-S90 WeakPolarHBondContact O-CA 3.48Å; V87-S90 WeakPolarHBondContact O-CB 3.3Å; V87-S90 PolarHBondContact O-N 2.87Å; V87-S90 PolarHBondContact O-OG 2.92Å; V87-I91 HydrophobicContact CG1-CD1 4.4Å; V87-I91 PolarHBondContact O-N 3.45Å; V87-I91 VanDerWaalsContact O-N 3.15Å; V87-Y160 HydrophobicContact CG2-CD1 3.77Å; V87-Y160 HydrophobicContact CG2-CE1 4.49Å; V87-Y160 HydrophobicContact CG2-CG 4.41Å
88D79.1Confident89.2Confident32 Ų3234.2 Ų34.217%0.17121%0.21CC..Hα-helixtrans-63.1-35.3179.7-54.2-68.3000112.5H86 S90 I91 D92 R294H86-D88 VanDerWaalsContact C-N 3.32Å; H86-D88 IonicContact CE1-OD2 2.7Å; H86-D88 PolarHBondContact CE1-OD2 3.26Å; H86-D88 PolarHBondContact ND1-N 3.47Å; H86-D88 IonicContact ND1-OD2 2.8Å; H86-D88 IonicContact NE2-OD2 2.7Å; H86-D88 PolarHBondContact O-N 2.89Å; D88-S90 VanDerWaalsContact C-N 3.26Å; D88-S90 PolarHBondContact O-N 2.96Å; D88-I91 PolarHBondContact O-N 3.48Å; D88-D92 PolarHBondContact O-N 2.94Å; D88-R294 WeakPolarHBondContact OD1-CD 3.33Å; D88-R294 IonicContact OD1-CZ 3.3Å; D88-R294 IonicContact OD1-NE 3.12Å; D88-R294 PolarHBondContact OD1-NE 2.54Å; D88-R294 IonicContact OD1-NH2 3.11Å; D88-R294 PolarHBondContact OD1-NH2 3.2Å; D88-R294 IonicContact OD2-CZ 3.47Å; D88-R294 VanDerWaalsContact OD2-CZ 3.24Å; D88-R294 IonicContact OD2-NE 3.42Å; D88-R294 PolarHBondContact OD2-NE 2.79Å; D88-R294 IonicContact OD2-NH2 2.71Å; D88-R294 PolarHBondContact OD2-NH2 3.12Å
89R80.4Confident89.1Confident74 Ų7439.2 Ų39.228%0.27923%0.233SC..Hα-helixtrans-69.2-31.2176.9-64.6-176.5-175.1-142.43.6110.8Y37 H86 V87 I91 D92 G93 F97 E198Y37-R89 VanDerWaalsContact CD2-NH1 3.29Å; Y37-R89 VanDerWaalsContact CE2-NH1 3.34Å; Y37-R89 VanDerWaalsContact CE2-NH2 3.27Å; Y37-R89 VanDerWaalsContact CZ-CZ 3.43Å; Y37-R89 VanDerWaalsContact CZ-NH1 3.28Å; H86-R89 HydrophobicContact CB-CB 4.02Å; H86-R89 HydrophobicContact CB-CG 3.81Å; H86-R89 PolarHBondContact ND1-N 2.76Å; H86-R89 WeakPolarHBondContact O-CB 3.46Å; H86-R89 PolarHBondContact O-N 3.15Å; V87-R89 VanDerWaalsContact C-N 3.29Å; V87-R89 PolarHBondContact O-N 2.89Å; R89-I91 VanDerWaalsContact C-N 3.33Å; R89-D92 PolarHBondContact O-N 2.91Å; R89-G93 CarbonylContact O-C 3.48Å; R89-G93 WeakPolarHBondContact O-CA 3.3Å; R89-G93 PolarHBondContact O-N 3.08Å; R89-F97 HydrophobicContact CB-CE2 4.03Å; R89-F97 HydrophobicContact CB-CZ 4.05Å; R89-E198 IonicContact CZ-OE2 2.79Å; R89-E198 IonicContact NE-OE2 3.26Å; R89-E198 PolarHBondContact NE-OE2 2.95Å; R89-E198 IonicContact NH2-OE2 3.69Å; R89-E198 PolarHBondContact NH2-OE2 2.88Å
90S86.7Confident88.9Confident0 Ų039.9 Ų39.90%024%0.238CC..Hα-helixtrans-69-32.4177.486.30000112.5H86 V87 D88 P94 F97 Y160H86-S90 PolarHBondContact O-N 3.49Å; V87-S90 WeakPolarHBondContact O-CA 3.48Å; V87-S90 WeakPolarHBondContact O-CB 3.3Å; V87-S90 PolarHBondContact O-N 2.87Å; V87-S90 PolarHBondContact O-OG 2.92Å; D88-S90 VanDerWaalsContact C-N 3.26Å; D88-S90 PolarHBondContact O-N 2.96Å; S90-P94 WeakPolarHBondContact O-CA 3.35Å; S90-P94 WeakPolarHBondContact O-CB 3.32Å; S90-P94 WeakPolarHBondContact O-CD 3.29Å; S90-F97 VanDerWaalsContact N-CE2 3.31Å; S90-Y160 PolarHBondContact OG-N 3.15Å
91I79.8Confident88.9Confident67 Ų6739.9 Ų39.934%0.34424%0.238SC..Hα-helixtrans-69.8-44.5175.4-64.7169000109.9V87 D88 R89 R294V87-I91 HydrophobicContact CG1-CD1 4.4Å; V87-I91 PolarHBondContact O-N 3.45Å; V87-I91 VanDerWaalsContact O-N 3.15Å; D88-I91 PolarHBondContact O-N 3.48Å; R89-I91 VanDerWaalsContact C-N 3.33Å; I91-R294 HydrophobicContact CD1-CG 4.18Å
92D74.8Confident88.9Confident103 Ų10340.4 Ų40.455%0.55124%0.24SC*.Hα-helixtrans-76-33-178.9-66.2-33.1000113.9D88 R89 R467D88-D92 PolarHBondContact O-N 2.94Å; R89-D92 PolarHBondContact O-N 2.91Å; D92-R467 IonicContact OD2-CZ 2.81Å; D92-R467 VanDerWaalsContact OD2-CZ 3.26Å; D92-R467 IonicContact OD2-NH1 3.77Å; D92-R467 PolarHBondContact OD2-NH1 2.84Å; D92-R467 IonicContact OD2-NH2 2.99Å; D92-R467 PolarHBondContact OD2-NH2 2.82Å
93G77.3Confident88.9Confident30 Ų3042.9 Ų42.931%0.30925%0.253SS..  trans-149.870.6-169.400000112.5R89 A95R89-G93 CarbonylContact O-C 3.48Å; R89-G93 WeakPolarHBondContact O-CA 3.3Å; R89-G93 PolarHBondContact O-N 3.08Å; G93-A95 VanDerWaalsContact C-N 3.28Å; G93-A95 PolarHBondContact O-N 2.86Å
94P88.4Confident89Confident56 Ų5641.5 Ų41.536%0.36424%0.242SC..THydrogen-bonded Turntrans-69.2-19.4-173.225.8-34.9000114.5S90 A96 F97 I98 P159S90-P94 WeakPolarHBondContact O-CA 3.35Å; S90-P94 WeakPolarHBondContact O-CB 3.32Å; S90-P94 WeakPolarHBondContact O-CD 3.29Å; P94-A96 VanDerWaalsContact C-N 3.33Å; P94-A96 PolarHBondContact O-N 2.94Å; P94-F97 WeakPolarHBondContact O-CB 3.19Å; P94-F97 PolarHBondContact O-N 3.33Å; P94-I98 PolarHBondContact O-N 2.89Å; P94-I98 VanDerWaalsContact O-N 3.14Å; P94-P159 HydrophobicContact CB-CB 3.87Å; P94-P159 HydrophobicContact CB-CG 4.35Å
95A88.4Confident89.3Confident74 Ų7440.8 Ų40.861%0.61224%0.239SC*.Hα-helixtrans-55.8-44.8-17500000112.9G93 F97 I98 E99G93-A95 VanDerWaalsContact C-N 3.28Å; G93-A95 PolarHBondContact O-N 2.86Å; A95-F97 PolarHBondContact O-N 3.47Å; A95-I98 PolarHBondContact O-N 2.98Å; A95-E99 WeakPolarHBondContact O-CB 3.47Å; A95-E99 PolarHBondContact O-N 3.42Å
96A85.1Confident89.7Confident39 Ų3942.8 Ų42.832%0.32224%0.241SC..Hα-helixtrans-62.8-29.617900000113E84 P94 T100E84-A96 HydrophobicContact CG-CB 4.26Å; P94-A96 VanDerWaalsContact C-N 3.33Å; P94-A96 PolarHBondContact O-N 2.94Å; A96-T100 VanDerWaalsContact O-CB 3.24Å; A96-T100 WeakPolarHBondContact O-CB 3.39Å; A96-T100 PolarHBondContact O-N 2.95Å; A96-T100 PolarHBondContact O-OG1 3.25Å
97F93.8Very high90.4Very high4 Ų442.3 Ų42.32%0.01824%0.239CC..Hα-helixtrans-75.2-41.3177.4-69.2-104.2000111.3E84 H86 R89 S90 P94 A95 N101 Y160E84-F97 VanDerWaalsContact C-CE1 3.4Å; E84-F97 HydrophobicContact CB-CD1 3.67Å; E84-F97 HydrophobicContact CB-CD2 4.09Å; E84-F97 HydrophobicContact CB-CE1 3.65Å; E84-F97 HydrophobicContact CB-CE2 4.04Å; E84-F97 HydrophobicContact CB-CG 3.89Å; E84-F97 HydrophobicContact CB-CZ 3.82Å; E84-F97 WeakPolarHBondContact O-CD1 3.38Å; E84-F97 VanDerWaalsContact O-CE1 3.26Å; E84-F97 WeakPolarHBondContact O-CE1 3.21Å; H86-F97 WeakPolarHBondContact O-CZ 3.24Å; R89-F97 HydrophobicContact CB-CE2 4.03Å; R89-F97 HydrophobicContact CB-CZ 4.05Å; S90-F97 VanDerWaalsContact N-CE2 3.31Å; P94-F97 WeakPolarHBondContact O-CB 3.19Å; P94-F97 PolarHBondContact O-N 3.33Å; A95-F97 PolarHBondContact O-N 3.47Å; F97-N101 WeakPolarHBondContact O-CA 3.44Å; F97-N101 WeakPolarHBondContact O-CB 3.28Å; F97-N101 PolarHBondContact O-N 3.06Å; F97-Y160 AromaticContact CD1-CD2 3.88Å; F97-Y160 HydrophobicContact CD1-CD2 3.88Å; F97-Y160 HydrophobicContact CD1-CG 4.39Å; F97-Y160 AromaticContact CE1-CD2 3.79Å; F97-Y160 HydrophobicContact CE1-CD2 3.79Å; F97-Y160 HydrophobicContact CE1-CG 4.2Å
98I95.5Very high91Very high81 Ų8141.8 Ų41.842%0.41524%0.236SC..Iπ-helixtrans-64-47.4174.9-59.3-57.8000110.5P94 A95 I102 V103P94-I98 PolarHBondContact O-N 2.89Å; P94-I98 VanDerWaalsContact O-N 3.14Å; A95-I98 PolarHBondContact O-N 2.98Å; I98-I102 HydrophobicContact CD1-CD1 3.75Å; I98-I102 HydrophobicContact CG2-CD1 4.34Å; I98-I102 VanDerWaalsContact O-CB 3.26Å; I98-I102 WeakPolarHBondContact O-CB 3.4Å; I98-I102 PolarHBondContact O-N 3.12Å; I98-I102 VanDerWaalsContact O-N 3.13Å; I98-V103 PolarHBondContact O-N 3.32Å
99E95.9Very high91.9Very high104 Ų10440.2 Ų40.249%0.48623%0.228SC..Iπ-helixtrans-62.5-56.4179.7-175.1172.5-157.200111.3A95 V103 G104A95-E99 WeakPolarHBondContact O-CB 3.47Å; A95-E99 PolarHBondContact O-N 3.42Å; E99-V103 CarbonylContact O-C 3.58Å; E99-V103 WeakPolarHBondContact O-CA 3.48Å; E99-V103 VanDerWaalsContact O-CB 3.28Å; E99-V103 WeakPolarHBondContact O-CB 3.38Å; E99-V103 PolarHBondContact O-N 2.77Å; E99-G104 PolarHBondContact O-N 3.37Å
100T95.2Very high92.8Very high15 Ų1537.9 Ų37.99%0.09222%0.22CC..Iπ-helixtrans-72.1-49.8-174.8-52.50000111.8I60 A96 G104I60-T100 HydrophobicContact CD1-CG2 4.3Å; A96-T100 VanDerWaalsContact O-CB 3.24Å; A96-T100 WeakPolarHBondContact O-CB 3.39Å; A96-T100 PolarHBondContact O-N 2.95Å; A96-T100 PolarHBondContact O-OG1 3.25Å; T100-G104 VanDerWaalsContact O-CA 3.27Å; T100-G104 WeakPolarHBondContact O-CA 3.44Å; T100-G104 PolarHBondContact O-N 2.89Å
101N98.5Very high93.3Very high1 Ų138.5 Ų38.51%0.00523%0.225CC..Iπ-helixtrans-80.5-34.7-168.7-55.4-7.9000111.5A83 E84 F97 T105 S163 K164 S167A83-N101 WeakPolarHBondContact CA-OD1 3.33Å; A83-N101 VanDerWaalsContact CB-OD1 3.32Å; A83-N101 WeakPolarHBondContact CB-OD1 3.32Å; E84-N101 PolarHBondContact N-OD1 3.38Å; E84-N101 PolarHBondContact O-ND2 3.23Å; F97-N101 WeakPolarHBondContact O-CA 3.44Å; F97-N101 WeakPolarHBondContact O-CB 3.28Å; F97-N101 PolarHBondContact O-N 3.06Å; N101-T105 VanDerWaalsContact O-CB 3.27Å; N101-T105 WeakPolarHBondContact O-CB 3.24Å; N101-T105 PolarHBondContact O-OG1 2.86Å; N101-S163 PolarHBondContact ND2-OG 3.41Å; N101-K164 HydrophobicContact CB-CD 4.48Å; N101-S167 VanDerWaalsContact O-CB 3.31Å; N101-S167 WeakPolarHBondContact O-CB 3.39Å
102I98.7Very high94.2Very high38 Ų3835.3 Ų35.320%0.19521%0.209CC..Iπ-helixtrans-95.2-60.3-179.4-48.5-177000110.9I98 T105 Y106 L170I98-I102 HydrophobicContact CD1-CD1 3.75Å; I98-I102 HydrophobicContact CG2-CD1 4.34Å; I98-I102 VanDerWaalsContact O-CB 3.26Å; I98-I102 WeakPolarHBondContact O-CB 3.4Å; I98-I102 PolarHBondContact O-N 3.12Å; I98-I102 VanDerWaalsContact O-N 3.13Å; I102-T105 PolarHBondContact O-N 2.95Å; I102-Y106 WeakPolarHBondContact O-CB 3.47Å; I102-Y106 PolarHBondContact O-N 3.21Å; I102-L170 HydrophobicContact CG2-CD1 3.97Å
103V98.6Very high95.4Very high67 Ų6733.3 Ų33.341%0.40619%0.193SC..Iπ-helixtrans-69.2-38.1-175.3-176.90000111.1I98 E99 Y106 T107I98-V103 PolarHBondContact O-N 3.32Å; E99-V103 CarbonylContact O-C 3.58Å; E99-V103 WeakPolarHBondContact O-CA 3.48Å; E99-V103 VanDerWaalsContact O-CB 3.28Å; E99-V103 WeakPolarHBondContact O-CB 3.38Å; E99-V103 PolarHBondContact O-N 2.77Å; V103-Y106 WeakPolarHBondContact O-CB 3.33Å; V103-Y106 PolarHBondContact O-N 3.03Å; V103-T107 WeakPolarHBondContact O-CB 3.35Å; V103-T107 PolarHBondContact O-N 2.88Å; V103-T107 PolarHBondContact O-OG1 3.38Å
104G98.7Very high96.4Very high0 Ų034.5 Ų34.50%020%0.2CC..Iπ-helixtrans-62.2-47173.100000112.4C61 E99 T100 Y106 T107 L108C61-G104 VanDerWaalsContact SG-CA 3.57Å; E99-G104 PolarHBondContact O-N 3.37Å; T100-G104 VanDerWaalsContact O-CA 3.27Å; T100-G104 WeakPolarHBondContact O-CA 3.44Å; T100-G104 PolarHBondContact O-N 2.89Å; G104-Y106 PolarHBondContact O-N 3.42Å; G104-T107 PolarHBondContact O-N 2.59Å; G104-L108 WeakPolarHBondContact O-CB 3.27Å; G104-L108 PolarHBondContact O-N 3.33Å
105T98.9Very high96.9Very high1 Ų132.5 Ų32.51%0.00619%0.186CC..Hα-helixtrans-59.9-45174.4-60.40000111.5H80 N101 I102 T107 L108 L109 S167 V171H80-T105 PolarHBondContact NE2-OG1 2.84Å; H80-T105 VanDerWaalsContact NE2-OG1 3.07Å; N101-T105 VanDerWaalsContact O-CB 3.27Å; N101-T105 WeakPolarHBondContact O-CB 3.24Å; N101-T105 PolarHBondContact O-OG1 2.86Å; I102-T105 PolarHBondContact O-N 2.95Å; T105-T107 VanDerWaalsContact C-N 3.34Å; T105-T107 PolarHBondContact O-N 2.76Å; T105-L108 PolarHBondContact O-N 3.47Å; T105-L109 HydrophobicContact CG2-CD1 3.9Å; T105-L109 HydrophobicContact CG2-CG 4.23Å; T105-L109 WeakPolarHBondContact O-CB 3.24Å; T105-L109 VanDerWaalsContact O-CG 3.3Å; T105-L109 WeakPolarHBondContact O-CG 3.29Å; T105-L109 PolarHBondContact O-N 3Å; T105-S167 WeakPolarHBondContact OG1-CB 3.3Å; T105-V171 HydrophobicContact CG2-CG2 3.99Å
106Y98.8Very high97.3Very high83 Ų8330.2 Ų30.233%0.32516%0.161SC..Hα-helixtrans-56.5-47.7175.5156.9-104.9000111.8R63 I102 V103 G104 L108 L109 E110 W174R63-Y106 PolarHBondContact NH2-OH 2.92Å; R63-Y106 VanDerWaalsContact NH2-OH 3.17Å; I102-Y106 WeakPolarHBondContact O-CB 3.47Å; I102-Y106 PolarHBondContact O-N 3.21Å; V103-Y106 WeakPolarHBondContact O-CB 3.33Å; V103-Y106 PolarHBondContact O-N 3.03Å; G104-Y106 PolarHBondContact O-N 3.42Å; Y106-L108 PolarHBondContact O-N 2.9Å; Y106-L109 PolarHBondContact O-N 2.98Å; Y106-E110 HydrophobicContact CD2-CG 4.15Å; Y106-E110 HydrophobicContact CE2-CG 3.54Å; Y106-E110 PolarHBondContact O-N 2.85Å; Y106-W174 AromaticContact CD2-CH2 3.6Å; Y106-W174 HydrophobicContact CD2-CH2 3.6Å; Y106-W174 AromaticContact CD2-CZ2 3.69Å; Y106-W174 HydrophobicContact CD2-CZ2 3.69Å; Y106-W174 AromaticContact CE2-CH2 4Å; Y106-W174 HydrophobicContact CE2-CH2 4Å; Y106-W174 AromaticContact CE2-CZ2 3.88Å; Y106-W174 HydrophobicContact CE2-CZ2 3.88Å
107T98.8Very high97.9Very high8 Ų831.9 Ų31.95%0.04917%0.165CC..Hα-helixtrans-64.9-42.7-177.5-56.50000110.8I60 R63 L66 V103 G104 T105 E110 A111I60-T107 VanDerWaalsContact O-CB 3.31Å; I60-T107 WeakPolarHBondContact O-CB 3.42Å; I60-T107 WeakPolarHBondContact O-CG2 3.22Å; R63-T107 HydrophobicContact CB-CG2 3.98Å; L66-T107 HydrophobicContact CD1-CG2 4.02Å; V103-T107 WeakPolarHBondContact O-CB 3.35Å; V103-T107 PolarHBondContact O-N 2.88Å; V103-T107 PolarHBondContact O-OG1 3.38Å; G104-T107 PolarHBondContact O-N 2.59Å; T105-T107 VanDerWaalsContact C-N 3.34Å; T105-T107 PolarHBondContact O-N 2.76Å; T107-E110 PolarHBondContact O-N 2.9Å; T107-A111 PolarHBondContact O-N 3.5Å
108L98.8Very high98.1Very high0 Ų036.9 Ų36.90%020%0.196CC..Hα-helixtrans-64.8-40.6175.3-176.763.9000112.5T7 L66 F70 V78 H80 G104 T105 Y106 E110 A111 A112 F129T7-L108 HydrophobicContact CG2-CD1 4.29Å; T7-L108 HydrophobicContact CG2-CD2 3.75Å; L66-L108 HydrophobicContact CD1-CB 4.42Å; L66-L108 HydrophobicContact CD1-CD1 4.23Å; L66-L108 HydrophobicContact CD2-CD1 4.06Å; F70-L108 HydrophobicContact CE2-CD1 3.89Å; F70-L108 HydrophobicContact CZ-CD1 4.14Å; V78-L108 HydrophobicContact CG1-CD2 4.41Å; H80-L108 HydrophobicContact CB-CD2 3.89Å; H80-L108 VanDerWaalsContact CG-CD2 3.45Å; G104-L108 WeakPolarHBondContact O-CB 3.27Å; G104-L108 PolarHBondContact O-N 3.33Å; T105-L108 PolarHBondContact O-N 3.47Å; Y106-L108 PolarHBondContact O-N 2.9Å; L108-E110 VanDerWaalsContact C-N 3.34Å; L108-E110 PolarHBondContact O-N 2.68Å; L108-A111 PolarHBondContact O-N 3.36Å; L108-A112 VanDerWaalsContact O-CB 3.29Å; L108-A112 WeakPolarHBondContact O-CB 3.46Å; L108-A112 PolarHBondContact O-N 2.79Å; L108-F129 HydrophobicContact CD2-CE2 4.11Å; L108-F129 HydrophobicContact CD2-CZ 3.9Å; L108-F129 HydrophobicContact CG-CE2 3.93Å; L108-F129 HydrophobicContact CG-CZ 4.07Å
109L98.9Very high98.2Very high0 Ų034 Ų340%018%0.181CC..Hα-helixtrans-61.5-41.3174.7-80.1170.7000111.8T105 Y106 R113 F129 L170 V171 W174 L180T105-L109 HydrophobicContact CG2-CD1 3.9Å; T105-L109 HydrophobicContact CG2-CG 4.23Å; T105-L109 WeakPolarHBondContact O-CB 3.24Å; T105-L109 VanDerWaalsContact O-CG 3.3Å; T105-L109 WeakPolarHBondContact O-CG 3.29Å; T105-L109 PolarHBondContact O-N 3Å; Y106-L109 PolarHBondContact O-N 2.98Å; L109-R113 WeakPolarHBondContact O-CB 3.01Å; L109-R113 PolarHBondContact O-N 2.61Å; L109-F129 HydrophobicContact CD2-CD1 4.21Å; L109-F129 HydrophobicContact CD2-CE1 3.86Å; L109-F129 HydrophobicContact CD2-CE2 4.3Å; L109-F129 HydrophobicContact CD2-CZ 3.91Å; L109-F129 HydrophobicContact CG-CZ 4.31Å; L109-L170 HydrophobicContact CD1-CB 3.82Å; L109-V171 HydrophobicContact CD1-CG2 4.02Å; L109-V171 HydrophobicContact CD2-CG2 4.19Å; L109-V171 HydrophobicContact CG-CG2 4.45Å; L109-W174 HydrophobicContact CB-CD2 4.16Å; L109-W174 HydrophobicContact CB-CG 4.08Å; L109-W174 HydrophobicContact CD1-CB 4.45Å; L109-W174 HydrophobicContact CD1-CD2 3.94Å; L109-W174 HydrophobicContact CD1-CE3 4.13Å; L109-W174 HydrophobicContact CD1-CG 4.11Å; L109-W174 HydrophobicContact CD2-CB 4.1Å; L109-W174 HydrophobicContact CD2-CG 4.12Å; L109-W174 HydrophobicContact CG-CG 4.35Å; L109-L180 HydrophobicContact CD2-CD2 3.77Å
110E98.7Very high98.3Very high25 Ų2533.5 Ų33.512%0.11719%0.185CC..Hα-helixtrans-67.3-42175.9-78.5-62.99400112.6Y106 T107 L108 R113 A114 W174Y106-E110 HydrophobicContact CD2-CG 4.15Å; Y106-E110 HydrophobicContact CE2-CG 3.54Å; Y106-E110 PolarHBondContact O-N 2.85Å; T107-E110 PolarHBondContact O-N 2.9Å; L108-E110 VanDerWaalsContact C-N 3.34Å; L108-E110 PolarHBondContact O-N 2.68Å; E110-R113 PolarHBondContact O-N 2.71Å; E110-R113 IonicContact OE1-CZ 3.33Å; E110-R113 IonicContact OE1-NE 3.9Å; E110-R113 PolarHBondContact OE1-NE 3.12Å; E110-R113 IonicContact OE1-NH2 3.19Å; E110-R113 PolarHBondContact OE1-NH2 3.07Å; E110-R113 IonicContact OE2-CZ 3.47Å; E110-R113 IonicContact OE2-NE 3.61Å; E110-R113 IonicContact OE2-NH2 3Å; E110-R113 PolarHBondContact OE2-NH2 2.72Å; E110-A114 WeakPolarHBondContact O-CB 3.42Å; E110-A114 PolarHBondContact O-N 3.26Å; E110-W174 HydrophobicContact CG-CZ2 4.08Å; E110-W174 WeakPolarHBondContact OE1-CZ2 3.15Å; E110-W174 PolarHBondContact OE1-NE1 3.36Å
111A98.6Very high98.4Very high13 Ų1339.5 Ų39.511%0.10721%0.212CC..Hα-helixtrans-61.6-47.7174.500000111.3L66 F70 T107 L108 R113 A114 Y115L66-A111 HydrophobicContact CB-CB 4.01Å; L66-A111 HydrophobicContact CD1-CB 4.35Å; F70-A111 HydrophobicContact CD2-CB 4.28Å; F70-A111 HydrophobicContact CE2-CB 4.12Å; T107-A111 PolarHBondContact O-N 3.5Å; L108-A111 PolarHBondContact O-N 3.36Å; A111-R113 PolarHBondContact O-N 3.03Å; A111-A114 PolarHBondContact O-N 3.44Å; A111-Y115 WeakPolarHBondContact O-CB 3.06Å; A111-Y115 PolarHBondContact O-N 3.24Å
112A98.7Very high98.2Very high0 Ų046 Ų460%025%0.247CC..Hα-helixtrans-62.8-41.2177.300000112.1F70 L108 W116 F129F70-A112 HydrophobicContact CE1-CB 4.11Å; F70-A112 HydrophobicContact CZ-CB 3.95Å; L108-A112 VanDerWaalsContact O-CB 3.29Å; L108-A112 WeakPolarHBondContact O-CB 3.46Å; L108-A112 PolarHBondContact O-N 2.79Å; A112-W116 WeakPolarHBondContact O-CB 3.42Å; A112-W116 PolarHBondContact O-N 3.12Å; A112-F129 HydrophobicContact CB-CD2 3.72Å; A112-F129 HydrophobicContact CB-CE2 3.87Å
113R98.5Very high98.1Very high60 Ų6048.5 Ų48.523%0.22626%0.256CS..Hα-helixtrans-65-43.4176.1-175.5-17568.278.70.9111.9L109 E110 A111 N117 Y178L109-R113 WeakPolarHBondContact O-CB 3.01Å; L109-R113 PolarHBondContact O-N 2.61Å; E110-R113 PolarHBondContact O-N 2.71Å; E110-R113 IonicContact OE1-CZ 3.33Å; E110-R113 IonicContact OE1-NE 3.9Å; E110-R113 PolarHBondContact OE1-NE 3.12Å; E110-R113 IonicContact OE1-NH2 3.19Å; E110-R113 PolarHBondContact OE1-NH2 3.07Å; E110-R113 IonicContact OE2-CZ 3.47Å; E110-R113 IonicContact OE2-NE 3.61Å; E110-R113 IonicContact OE2-NH2 3Å; E110-R113 PolarHBondContact OE2-NH2 2.72Å; A111-R113 PolarHBondContact O-N 3.03Å; R113-N117 WeakPolarHBondContact O-CB 3.25Å; R113-N117 PolarHBondContact O-N 2.94Å; R113-N117 VanDerWaalsContact O-N 3.16Å; R113-N117 PolarHBondContact O-ND2 2.79Å; R113-Y178 VanDerWaalsContact CD-CG 3.44Å
114A98.4Very high98.1Very high56 Ų5647.5 Ų47.546%0.46325%0.246SC..Hα-helixtrans-61.8-48.417700000110.8E110 A111 N117E110-A114 WeakPolarHBondContact O-CB 3.42Å; E110-A114 PolarHBondContact O-N 3.26Å; A111-A114 PolarHBondContact O-N 3.44Å; A114-N117 PolarHBondContact O-N 3.15Å
115Y98.5Very high97.9Very high14 Ų1451 Ų516%0.05527%0.271CS..Hα-helixtrans-59.5-51.5175.3174-107000112.7F70 Q74 P75 A111 N117 T118 L119 F127F70-Y115 HydrophobicContact CB-CD2 4.12Å; F70-Y115 HydrophobicContact CB-CG 4.24Å; F70-Y115 AromaticContact CD1-CD1 3.6Å; F70-Y115 HydrophobicContact CD1-CD1 3.6Å; F70-Y115 HydrophobicContact CD1-CD2 4.14Å; F70-Y115 HydrophobicContact CD1-CE1 4.29Å; F70-Y115 AromaticContact CD1-CG 3.51Å; F70-Y115 HydrophobicContact CD1-CG 3.51Å; F70-Y115 HydrophobicContact CE1-CD1 4.06Å; F70-Y115 HydrophobicContact CE1-CG 4.31Å; F70-Y115 HydrophobicContact CG-CG 4.3Å; Q74-Y115 VanDerWaalsContact CA-OH 3.22Å; Q74-Y115 WeakPolarHBondContact CA-OH 3.41Å; Q74-Y115 PolarHBondContact OE1-OH 3.38Å; Q74-Y115 VanDerWaalsContact OE1-OH 3.05Å; P75-Y115 HydrophobicContact CG-CE1 4.29Å; P75-Y115 WeakPolarHBondContact O-CE1 3.1Å; P75-Y115 PolarHBondContact O-OH 3.45Å; A111-Y115 WeakPolarHBondContact O-CB 3.06Å; A111-Y115 PolarHBondContact O-N 3.24Å; Y115-N117 PolarHBondContact O-N 3.24Å; Y115-N117 VanDerWaalsContact O-N 3.14Å; Y115-T118 PolarHBondContact O-N 3.17Å; Y115-T118 PolarHBondContact O-OG1 2.81Å; Y115-L119 HydrophobicContact CD1-CD1 4.32Å; Y115-L119 HydrophobicContact CE1-CD1 3.88Å; Y115-L119 HydrophobicContact CE1-CD2 3.86Å; Y115-L119 HydrophobicContact CE1-CG 4.18Å; Y115-L119 HydrophobicContact CE2-CD2 4.06Å; Y115-L119 WeakPolarHBondContact OH-CD2 3.47Å; Y115-F127 HydrophobicContact CD1-CE2 4.07Å; Y115-F127 HydrophobicContact CD1-CZ 4.47Å; Y115-F127 HydrophobicContact CE1-CD2 4.32Å; Y115-F127 AromaticContact CE1-CE2 3.95Å; Y115-F127 HydrophobicContact CE1-CE2 3.95Å
116W98.4Very high97.8Very high25 Ų2554 Ų5410%0.09530%0.296CS..Hα-helixtrans-58.9-30.4-178.4174.674.1000113A112 T118 L119 K124 F127 Y178 G179 L180A112-W116 WeakPolarHBondContact O-CB 3.42Å; A112-W116 PolarHBondContact O-N 3.12Å; W116-T118 VanDerWaalsContact C-N 3.29Å; W116-T118 PolarHBondContact O-N 2.94Å; W116-L119 PolarHBondContact O-N 3.18Å; W116-K124 HydrophobicContact CD2-CG 4.11Å; W116-K124 VanDerWaalsContact CE2-CG 3.43Å; W116-K124 HydrophobicContact CG-CG 4.27Å; W116-K124 VanDerWaalsContact CH2-CE 3.47Å; W116-K124 HydrophobicContact CZ2-CD 4.16Å; W116-K124 HydrophobicContact CZ2-CG 3.83Å; W116-K124 PolarHBondContact NE1-O 2.82Å; W116-F127 HydrophobicContact CB-CD1 4.35Å; W116-F127 HydrophobicContact CB-CE1 4.43Å; W116-F127 AromaticContact CD1-CD1 3.56Å; W116-F127 AromaticContact CD1-CG 3.8Å; W116-F127 HydrophobicContact CG-CD1 4.16Å; W116-Y178 WeakPolarHBondContact CZ3-O 3.27Å; W116-G179 VanDerWaalsContact CH2-O 3.29Å; W116-G179 WeakPolarHBondContact CH2-O 3.36Å; W116-G179 WeakPolarHBondContact CZ2-O 3.18Å; W116-L180 HydrophobicContact CB-CD1 3.98Å; W116-L180 HydrophobicContact CD2-CD1 4.1Å; W116-L180 HydrophobicContact CE3-CD1 4.25Å; W116-L180 HydrophobicContact CG-CD1 4Å
117N97.9Very high97.8Very high75 Ų7550 Ų5040%0.40128%0.28SS..THydrogen-bonded Turntrans-74.2-14176-78.5-40.2000114.6R113 A114 Y115 K124R113-N117 WeakPolarHBondContact O-CB 3.25Å; R113-N117 PolarHBondContact O-N 2.94Å; R113-N117 VanDerWaalsContact O-N 3.16Å; R113-N117 PolarHBondContact O-ND2 2.79Å; A114-N117 PolarHBondContact O-N 3.15Å; Y115-N117 PolarHBondContact O-N 3.24Å; Y115-N117 VanDerWaalsContact O-N 3.14Å; N117-K124 PolarHBondContact OD1-NZ 3.4Å
118T97.7Very high97.8Very high109 Ų10952.6 Ų52.667%0.66929%0.289SS*.THydrogen-bonded Turntrans-94.2-8.8174.671.10000113.1Y115 W116Y115-T118 PolarHBondContact O-N 3.17Å; Y115-T118 PolarHBondContact O-OG1 2.81Å; W116-T118 VanDerWaalsContact C-N 3.29Å; W116-T118 PolarHBondContact O-N 2.94Å
119L97.9Very high97.8Very high20 Ų2052.6 Ų52.611%0.10529%0.289CS..SBendtrans-71.7146.5-179.3-61.8175.5000112.4Y115 W116 K123 K124 F127Y115-L119 HydrophobicContact CD1-CD1 4.32Å; Y115-L119 HydrophobicContact CE1-CD1 3.88Å; Y115-L119 HydrophobicContact CE1-CD2 3.86Å; Y115-L119 HydrophobicContact CE1-CG 4.18Å; Y115-L119 HydrophobicContact CE2-CD2 4.06Å; Y115-L119 WeakPolarHBondContact OH-CD2 3.47Å; W116-L119 PolarHBondContact O-N 3.18Å; L119-K123 HydrophobicContact CB-CB 4.08Å; L119-K123 HydrophobicContact CD1-CB 4.36Å; L119-K123 HydrophobicContact CD2-CB 4.31Å; L119-K123 HydrophobicContact CD2-CD 4.3Å; L119-K123 HydrophobicContact CG-CB 4.48Å; L119-K124 HydrophobicContact CB-CB 4.09Å; L119-F127 HydrophobicContact CD1-CB 4.23Å; L119-F127 HydrophobicContact CD1-CD2 4.16Å; L119-F127 HydrophobicContact CD1-CG 4.32Å
120T97Very high97.8Very high93 Ų9352.6 Ų52.657%0.57129%0.289SS*.  trans-61.4151.9165.3550000110.5D122 K123 K124T120-D122 VanDerWaalsContact C-N 3.3Å; T120-D122 PolarHBondContact O-N 3.09Å; T120-D122 VanDerWaalsContact O-N 3.15Å; T120-K123 PolarHBondContact O-N 2.93Å; T120-K124 WeakPolarHBondContact O-CB 3.25Å; T120-K124 PolarHBondContact O-N 3.01Å
121E96.4Very high97.8Very high141 Ų14151.4 Ų51.466%0.65928%0.284SS*.Hα-helixtrans-52.2-42.4-173.8-165.858.8-152.800114.3K123 K124 S125E121-K123 PolarHBondContact O-N 2.91Å; E121-K124 PolarHBondContact O-N 3.33Å; E121-S125 WeakPolarHBondContact O-CB 3.38Å; E121-S125 PolarHBondContact O-N 3.47Å; E121-S125 PolarHBondContact O-OG 3.14Å; E121-S125 VanDerWaalsContact O-OG 3.04Å
122D95.4Very high97.8Very high137 Ų13751.3 Ų51.373%0.73328%0.281SS*.Hα-helixtrans-62.2-44178.1-64.4-23.8000112.2T120 S125 A126T120-D122 VanDerWaalsContact C-N 3.3Å; T120-D122 PolarHBondContact O-N 3.09Å; T120-D122 VanDerWaalsContact O-N 3.15Å; D122-S125 PolarHBondContact O-OG 2.93Å; D122-A126 WeakPolarHBondContact O-CB 3.42Å; D122-A126 PolarHBondContact O-N 3.2Å
123K96.9Very high97.8Very high92 Ų9251.6 Ų51.640%0.428%0.283SS..Hα-helixtrans-70.6-38.1175.2-73.9-164.1172.2-1610111.9L119 T120 E121 S125 A126 F127L119-K123 HydrophobicContact CB-CB 4.08Å; L119-K123 HydrophobicContact CD1-CB 4.36Å; L119-K123 HydrophobicContact CD2-CB 4.31Å; L119-K123 HydrophobicContact CD2-CD 4.3Å; L119-K123 HydrophobicContact CG-CB 4.48Å; T120-K123 PolarHBondContact O-N 2.93Å; E121-K123 PolarHBondContact O-N 2.91Å; K123-S125 VanDerWaalsContact C-N 3.34Å; K123-S125 PolarHBondContact O-N 3.02Å; K123-A126 PolarHBondContact O-N 3.4Å; K123-F127 WeakPolarHBondContact O-CB 3.34Å; K123-F127 PolarHBondContact O-N 2.83Å
124K97.3Very high97.8Very high45 Ų4549.2 Ų49.220%0.19628%0.275CS..Hα-helixtrans-63.4-40.3-179.3-165.6174.3-173.2170.30111.6W116 N117 L119 T120 E121W116-K124 HydrophobicContact CD2-CG 4.11Å; W116-K124 VanDerWaalsContact CE2-CG 3.43Å; W116-K124 HydrophobicContact CG-CG 4.27Å; W116-K124 VanDerWaalsContact CH2-CE 3.47Å; W116-K124 HydrophobicContact CZ2-CD 4.16Å; W116-K124 HydrophobicContact CZ2-CG 3.83Å; W116-K124 PolarHBondContact NE1-O 2.82Å; N117-K124 PolarHBondContact OD1-NZ 3.4Å; L119-K124 HydrophobicContact CB-CB 4.09Å; T120-K124 WeakPolarHBondContact O-CB 3.25Å; T120-K124 PolarHBondContact O-N 3.01Å; E121-K124 PolarHBondContact O-N 3.33Å
125S95.8Very high97.8Very high74 Ų7446.6 Ų46.652%0.51725%0.253SS..Hα-helixtrans-74.9-30.5176.962.50000113.3E121 D122 K123 R128E121-S125 WeakPolarHBondContact O-CB 3.38Å; E121-S125 PolarHBondContact O-N 3.47Å; E121-S125 PolarHBondContact O-OG 3.14Å; E121-S125 VanDerWaalsContact O-OG 3.04Å; D122-S125 PolarHBondContact O-OG 2.93Å; K123-S125 VanDerWaalsContact C-N 3.34Å; K123-S125 PolarHBondContact O-N 3.02Å; S125-R128 PolarHBondContact O-NH1 3.33Å
126A96.6Very high97.7Very high63 Ų6346.8 Ų46.852%0.52126%0.255SS..Hα-helixtrans-79.3-24.4175.300000113.9D122 K123 R128D122-A126 WeakPolarHBondContact O-CB 3.42Å; D122-A126 PolarHBondContact O-N 3.2Å; K123-A126 PolarHBondContact O-N 3.4Å; A126-R128 PolarHBondContact O-NH1 3.09Å
127F98.5Very high97.7Very high1 Ų145.6 Ų45.60%0.00425%0.25CS..  trans-58.1143.2-175.8-173.5-100.5000112.7P75 D76 V78 Y115 W116 L119 K123 F129 L180 P181P75-F127 WeakPolarHBondContact O-CE2 3.35Å; D76-F127 WeakPolarHBondContact O-CA 3.46Å; D76-F127 WeakPolarHBondContact O-CD2 3.31Å; V78-F127 HydrophobicContact CG2-CE2 4.35Å; V78-F127 HydrophobicContact CG2-CZ 3.88Å; Y115-F127 HydrophobicContact CD1-CE2 4.07Å; Y115-F127 HydrophobicContact CD1-CZ 4.47Å; Y115-F127 HydrophobicContact CE1-CD2 4.32Å; Y115-F127 AromaticContact CE1-CE2 3.95Å; Y115-F127 HydrophobicContact CE1-CE2 3.95Å; W116-F127 HydrophobicContact CB-CD1 4.35Å; W116-F127 HydrophobicContact CB-CE1 4.43Å; W116-F127 AromaticContact CD1-CD1 3.56Å; W116-F127 AromaticContact CD1-CG 3.8Å; W116-F127 HydrophobicContact CG-CD1 4.16Å; L119-F127 HydrophobicContact CD1-CB 4.23Å; L119-F127 HydrophobicContact CD1-CD2 4.16Å; L119-F127 HydrophobicContact CD1-CG 4.32Å; K123-F127 WeakPolarHBondContact O-CB 3.34Å; K123-F127 PolarHBondContact O-N 2.83Å; F127-F129 HydrophobicContact CE1-CB 4.33Å; F127-L180 HydrophobicContact CE1-CD1 4.13Å; F127-P181 HydrophobicContact CB-CG 4.32Å; F127-P181 HydrophobicContact CD1-CG 3.88Å; F127-P181 WeakPolarHBondContact O-CB 3.33Å; F127-P181 WeakPolarHBondContact O-CG 3.37Å
128R98.5Very high97.7Very high62 Ų6242.3 Ų42.323%0.23423%0.232CC..EExtended strand (participates in β ladder)trans-136.1136.1175.8-63.5-65.2179.3-89-1.4111.2D76 C77 V78 S125 A126 L183D76-R128 PolarHBondContact O-N 3.44Å; C77-R128 CarbonylContact C-O 3.51Å; C77-R128 VanDerWaalsContact CA-O 3.31Å; C77-R128 WeakPolarHBondContact CA-O 3.38Å; V78-R128 PolarHBondContact N-O 3.32Å; S125-R128 PolarHBondContact O-NH1 3.33Å; A126-R128 PolarHBondContact O-NH1 3.09Å; R128-L183 HydrophobicContact CB-CD1 4.46Å; R128-L183 HydrophobicContact CG-CD1 4.48Å
129F98.9Very high97.6Very high0 Ų037.2 Ų37.20%020%0.201CC..EExtended strand (participates in β ladder)trans-112.6103.4168-172.3-77.3000109.5V78 H80 L108 L109 A112 F127 H131 V171 L180 P181 T182 L183V78-F129 HydrophobicContact CB-CD2 3.83Å; V78-F129 HydrophobicContact CB-CE2 4.21Å; V78-F129 HydrophobicContact CB-CG 4.5Å; V78-F129 HydrophobicContact CG1-CD2 3.89Å; V78-F129 HydrophobicContact CG1-CE2 3.74Å; V78-F129 HydrophobicContact CG1-CZ 4.41Å; V78-F129 HydrophobicContact CG2-CD2 4.34Å; H80-F129 HydrophobicContact CB-CE1 4.31Å; H80-F129 HydrophobicContact CB-CZ 4.15Å; L108-F129 HydrophobicContact CD2-CE2 4.11Å; L108-F129 HydrophobicContact CD2-CZ 3.9Å; L108-F129 HydrophobicContact CG-CE2 3.93Å; L108-F129 HydrophobicContact CG-CZ 4.07Å; L109-F129 HydrophobicContact CD2-CD1 4.21Å; L109-F129 HydrophobicContact CD2-CE1 3.86Å; L109-F129 HydrophobicContact CD2-CE2 4.3Å; L109-F129 HydrophobicContact CD2-CZ 3.91Å; L109-F129 HydrophobicContact CG-CZ 4.31Å; A112-F129 HydrophobicContact CB-CD2 3.72Å; A112-F129 HydrophobicContact CB-CE2 3.87Å; F127-F129 HydrophobicContact CE1-CB 4.33Å; F129-H131 HydrophobicContact CE1-CB 4.34Å; F129-V171 HydrophobicContact CE1-CG2 4.28Å; F129-L180 HydrophobicContact CB-CD2 4.46Å; F129-L180 HydrophobicContact CG-CD2 4.47Å; F129-P181 PolarHBondContact N-O 3.42Å; F129-T182 HydrophobicContact CB-CG2 4.1Å; F129-T182 HydrophobicContact CD1-CG2 4.19Å; F129-T182 HydrophobicContact CG-CG2 4.42Å; F129-T182 CarbonylContact O-C 3.45Å; F129-T182 WeakPolarHBondContact O-CA 3.42Å; F129-L183 PolarHBondContact O-N 3.44Å
130H98.9Very high97.4Very high0 Ų038.1 Ų38.10%021%0.206CC..EExtended strand (participates in β ladder)trans-97.9114-179.7-176.9-172.6000110.2V78 M79 H80 I132 L183 T185 L236V78-H130 PolarHBondContact O-N 2.93Å; M79-H130 WeakPolarHBondContact CA-O 3.29Å; M79-H130 HydrophobicContact CG-CB 4.3Å; H80-H130 PolarHBondContact N-O 3.43Å; H130-I132 WeakPolarHBondContact O-CD1 3.33Å; H130-L183 HydrophobicContact CB-CB 4.39Å; H130-T185 WeakPolarHBondContact NE2-CG2 3.4Å; H130-T185 PolarHBondContact NE2-OG1 3.04Å; H130-L236 PolarHBondContact CE1-O 2.61Å
131H98.9Very high97.3Very high0 Ų034.5 Ų34.50%018%0.183CC..EExtended strand (participates in β ladder)trans-93.3123.2174.5-173.660.7000111.4H80 F129 S167 D168 V171 L183 I184 T185H80-H131 AromaticContact CD2-CE1 3.72Å; H80-H131 AromaticContact CD2-ND1 3.29Å; H80-H131 PolarHBondContact CD2-ND1 2.89Å; H80-H131 VanDerWaalsContact CD2-ND1 3.29Å; H80-H131 AromaticContact CG-ND1 3.99Å; F129-H131 HydrophobicContact CE1-CB 4.34Å; H131-S167 PolarHBondContact CE1-OG 3.38Å; H131-S167 PolarHBondContact NE2-OG 2.85Å; H131-D168 IonicContact CD2-OD1 3.34Å; H131-D168 PolarHBondContact CD2-OD1 2.56Å; H131-D168 IonicContact NE2-OD1 3.64Å; H131-D168 PolarHBondContact NE2-OD1 2.95Å; H131-D168 VanDerWaalsContact NE2-OD1 3.11Å; H131-V171 HydrophobicContact CB-CB 4.44Å; H131-V171 HydrophobicContact CB-CG1 4Å; H131-V171 HydrophobicContact CB-CG2 3.89Å; H131-L183 PolarHBondContact N-O 3.31Å; H131-I184 HydrophobicContact CB-CG1 4.27Å; H131-I184 WeakPolarHBondContact O-CA 3.37Å; H131-T185 PolarHBondContact O-N 3.4Å
132I98.8Very high96.9Very high11 Ų1135.5 Ų35.56%0.05619%0.187CC..EExtended strand (participates in β ladder)trans-97.2123.2178.1-63.577.9000108.7M79 H80 L81 H130 K164 L236M79-I132 HydrophobicContact CB-CD1 4.19Å; H80-I132 WeakPolarHBondContact O-CD1 3.49Å; H80-I132 PolarHBondContact O-N 2.79Å; H80-I132 VanDerWaalsContact O-N 3.09Å; L81-I132 HydrophobicContact CD1-CD1 3.67Å; L81-I132 HydrophobicContact CD1-CG1 4.17Å; L81-I132 HydrophobicContact CD2-CG1 4.44Å; L81-I132 HydrophobicContact CD2-CG2 4.49Å; L81-I132 HydrophobicContact CG-CB 3.94Å; L81-I132 HydrophobicContact CG-CD1 3.85Å; L81-I132 HydrophobicContact CG-CG1 3.83Å; L81-I132 HydrophobicContact CG-CG2 4.27Å; H130-I132 WeakPolarHBondContact O-CD1 3.33Å; I132-K164 PolarHBondContact O-NZ 3.04Å; I132-L236 HydrophobicContact CG1-CD1 4.09Å; I132-L236 HydrophobicContact CG1-CD2 3.54Å; I132-L236 HydrophobicContact CG1-CG 4.43Å; I132-L236 HydrophobicContact CG2-CD2 4.28Å
133S98.7Very high96.5Very high5 Ų531 Ų314%0.03517%0.167CC..EExtended strand (participates in β ladder)trans-132.9-170.6-175.3-154.80000111D168 T185 N186 C187S133-D168 WeakPolarHBondContact CB-OD1 3.33Å; S133-D168 VanDerWaalsContact OG-CG 3.29Å; S133-D168 PolarHBondContact OG-OD1 3.29Å; S133-D168 PolarHBondContact OG-OD2 3.31Å; S133-T185 CarbonylContact C-O 3.58Å; S133-T185 WeakPolarHBondContact CA-O 3.21Å; S133-T185 WeakPolarHBondContact CB-O 3.28Å; S133-T185 PolarHBondContact N-O 3.39Å; S133-N186 WeakPolarHBondContact CB-ND2 3.29Å; S133-C187 PolarHBondContact O-N 3.3Å
134T98.5Very high95.8Very high10 Ų1031.8 Ų31.86%0.06118%0.179CC..EExtended strand (participates in β ladder)trans-126.2153.6-166.1-172.80000111.3E136 V137 Y160 K164 N186T134-E136 HydrophobicContact CG2-CB 3.85Å; T134-E136 HydrophobicContact CG2-CG 4.35Å; T134-E136 PolarHBondContact O-N 3.03Å; T134-E136 WeakPolarHBondContact OG1-CG 3.26Å; T134-E136 PolarHBondContact OG1-N 3.39Å; T134-V137 HydrophobicContact CG2-CG1 3.92Å; T134-V137 WeakPolarHBondContact O-CG2 3.24Å; T134-Y160 HydrophobicContact CG2-CE1 4.14Å; T134-K164 HydrophobicContact CG2-CB 4Å; T134-K164 HydrophobicContact CG2-CG 4.17Å; T134-N186 PolarHBondContact O-ND2 2.71Å
135D97.8Very high95.3Very high1 Ų136 Ų361%0.00520%0.204CC..G310 helixtrans-64.5-26.3169.862-14.9000112.5V137 Y138 F148 C187 S188 Y301 I303D135-V137 PolarHBondContact O-N 3.26Å; D135-Y138 WeakPolarHBondContact O-CB 3.47Å; D135-Y138 WeakPolarHBondContact O-CD2 3.17Å; D135-Y138 PolarHBondContact O-N 3.04Å; D135-F148 HydrophobicContact CB-CD2 4.32Å; D135-C187 WeakPolarHBondContact CB-O 3.32Å; D135-C187 PolarHBondContact N-O 2.71Å; D135-S188 WeakPolarHBondContact OD2-CA 3.35Å; D135-Y301 WeakPolarHBondContact OD2-CB 3.45Å; D135-I303 HydrophobicContact CB-CD1 3.66Å; D135-I303 HydrophobicContact CB-CG1 3.81Å
136E97.8Very high95.1Very high18 Ų1836.5 Ų36.58%0.08420%0.201CC..G310 helixtrans-59.9-13.3179.2-52.6-169.8-136.500114.1T134 Y138 G139 Y160 S161 Y301T134-E136 HydrophobicContact CG2-CB 3.85Å; T134-E136 HydrophobicContact CG2-CG 4.35Å; T134-E136 PolarHBondContact O-N 3.03Å; T134-E136 WeakPolarHBondContact OG1-CG 3.26Å; T134-E136 PolarHBondContact OG1-N 3.39Å; E136-Y138 PolarHBondContact O-N 3.01Å; E136-G139 PolarHBondContact O-N 2.91Å; E136-Y160 HydrophobicContact CG-CE1 4.44Å; E136-Y160 WeakPolarHBondContact OE1-CE1 3.28Å; E136-S161 VanDerWaalsContact O-CB 3.27Å; E136-S161 WeakPolarHBondContact O-CB 3.39Å; E136-Y301 HydrophobicContact CB-CE2 4.48Å; E136-Y301 HydrophobicContact CG-CD2 4.37Å; E136-Y301 HydrophobicContact CG-CE2 3.58Å
137V98.3Very high95.1Very high0 Ų037 Ų370%019%0.192CC..G310 helixtrans-66.9-24.1173.3-55.10000112.2T134 D135 Y154 A155 K164 A165 N186T134-V137 HydrophobicContact CG2-CG1 3.92Å; T134-V137 WeakPolarHBondContact O-CG2 3.24Å; D135-V137 PolarHBondContact O-N 3.26Å; V137-Y154 HydrophobicContact CB-CD2 4Å; V137-Y154 HydrophobicContact CB-CE2 3.85Å; V137-Y154 HydrophobicContact CB-CG 4.34Å; V137-Y154 HydrophobicContact CG1-CE2 4.34Å; V137-Y154 HydrophobicContact CG2-CD1 4.12Å; V137-Y154 HydrophobicContact CG2-CD2 4.25Å; V137-Y154 HydrophobicContact CG2-CE1 3.76Å; V137-Y154 HydrophobicContact CG2-CE2 3.82Å; V137-Y154 HydrophobicContact CG2-CG 4.35Å; V137-Y154 CarbonylContact O-C 3.59Å; V137-Y154 VanDerWaalsContact O-CA 3.25Å; V137-Y154 WeakPolarHBondContact O-CA 3.43Å; V137-A155 PolarHBondContact O-N 3.4Å; V137-K164 HydrophobicContact CG1-CB 4.09Å; V137-A165 HydrophobicContact CB-CB 4.18Å; V137-A165 HydrophobicContact CG1-CB 4.14Å; V137-N186 WeakPolarHBondContact CG2-ND2 3.32Å
138Y97.8Very high95Very high7 Ų737.1 Ų37.13%0.02719%0.192CC..G310 helixtrans-82-12.3-178.8-58.8-58.6000113.5D135 E136 F148 T152 Y154 N186 N250 I303D135-Y138 WeakPolarHBondContact O-CB 3.47Å; D135-Y138 WeakPolarHBondContact O-CD2 3.17Å; D135-Y138 PolarHBondContact O-N 3.04Å; E136-Y138 PolarHBondContact O-N 3.01Å; Y138-F148 VanDerWaalsContact CB-CE1 3.42Å; Y138-F148 HydrophobicContact CD2-CB 3.66Å; Y138-F148 HydrophobicContact CD2-CD1 4.22Å; Y138-F148 AromaticContact CD2-CD2 3.98Å; Y138-F148 HydrophobicContact CD2-CD2 3.98Å; Y138-F148 AromaticContact CD2-CG 3.71Å; Y138-F148 HydrophobicContact CD2-CG 3.71Å; Y138-F148 HydrophobicContact CE2-CB 4.15Å; Y138-F148 HydrophobicContact CG-CB 4.16Å; Y138-F148 AromaticContact CG-CD1 3.98Å; Y138-F148 HydrophobicContact CG-CD1 3.98Å; Y138-F148 HydrophobicContact CG-CD2 4.45Å; Y138-F148 HydrophobicContact CG-CE1 4.47Å; Y138-F148 AromaticContact CG-CG 3.96Å; Y138-F148 HydrophobicContact CG-CG 3.96Å; Y138-T152 HydrophobicContact CD1-CG2 3.99Å; Y138-T152 WeakPolarHBondContact CD1-O 3.35Å; Y138-T152 WeakPolarHBondContact CE1-O 3.33Å; Y138-T152 HydrophobicContact CG-CG2 4.3Å; Y138-Y154 HydrophobicContact CD1-CD1 4.08Å; Y138-Y154 HydrophobicContact CD1-CE1 4.17Å; Y138-Y154 HydrophobicContact CE1-CD1 4.02Å; Y138-Y154 AromaticContact CE1-CE1 3.67Å; Y138-Y154 HydrophobicContact CE1-CE1 3.67Å; Y138-N186 HydrophobicContact CE2-CB 3.93Å; Y138-N250 PolarHBondContact OH-OD1 2.75Å; Y138-I303 HydrophobicContact CE2-CD1 4.34Å
139G96Very high95Very high1 Ų136 Ų361%0.0119%0.192CC..  trans84.7-143.6-178.700000112.6E136 F148 A155 Y301E136-G139 PolarHBondContact O-N 2.91Å; G139-F148 WeakPolarHBondContact O-CZ 3.12Å; G139-A155 WeakPolarHBondContact CA-O 3.42Å; G139-Y301 WeakPolarHBondContact O-CD1 3.35Å; G139-Y301 WeakPolarHBondContact O-CE1 3.2Å
140D93.2Very high94.9Very high39 Ų3937.9 Ų37.921%0.20920%0.201CC..  trans-107144.4-174.4-163.516.7000112.5H142 D298 L299 R300D140-H142 IonicContact OD2-CE1 3.18Å; D140-H142 PolarHBondContact OD2-CE1 2.95Å; D140-H142 IonicContact OD2-ND1 3.46Å; D140-D298 HydrophobicContact CB-CB 3.91Å; D140-L299 PolarHBondContact OD1-N 3.46Å; D140-L299 PolarHBondContact OD2-N 3.03Å; D140-L299 VanDerWaalsContact OD2-N 3.1Å; D140-R300 PolarHBondContact OD1-N 3.07Å
141L93.5Very high94.9Very high17 Ų1743.9 Ų43.99%0.08924%0.238CC..  trans-99134.7170.3-66.6170.5000110.5D146 F148 R300 A302L141-D146 HydrophobicContact CD2-CB 3.9Å; L141-F148 HydrophobicContact CD1-CD1 4.09Å; L141-F148 HydrophobicContact CD1-CD2 4.28Å; L141-F148 HydrophobicContact CD1-CE1 3.94Å; L141-F148 HydrophobicContact CD1-CE2 4.12Å; L141-F148 HydrophobicContact CD1-CG 4.27Å; L141-F148 HydrophobicContact CD1-CZ 3.94Å; L141-F148 HydrophobicContact CD2-CD1 3.76Å; L141-F148 HydrophobicContact CD2-CE1 3.41Å; L141-F148 VanDerWaalsContact CD2-CE1 3.41Å; L141-F148 HydrophobicContact CD2-CZ 4.07Å; L141-F148 HydrophobicContact CG-CD1 3.98Å; L141-F148 HydrophobicContact CG-CE1 3.4Å; L141-F148 VanDerWaalsContact CG-CE1 3.4Å; L141-F148 HydrophobicContact CG-CE2 4.19Å; L141-F148 HydrophobicContact CG-CZ 3.51Å; L141-R300 HydrophobicContact CB-CB 4.35Å; L141-R300 HydrophobicContact CB-CG 4.29Å; L141-R300 WeakPolarHBondContact CB-O 3.43Å; L141-R300 PolarHBondContact N-O 3.46Å; L141-R300 VanDerWaalsContact N-O 3.07Å; L141-A302 HydrophobicContact CD1-CB 3.9Å
142H87.9Confident94.8Very high162 Ų16245.4 Ų45.475%0.7525%0.247SC*.  trans-108.8-19.7179.9-58.5-42.7000113.9D140D140-H142 IonicContact OD2-CE1 3.18Å; D140-H142 PolarHBondContact OD2-CE1 2.95Å; D140-H142 IonicContact OD2-ND1 3.46Å
143S87.1Confident94.8Very high43 Ų4349.8 Ų49.830%0.30128%0.276SS..SBendtrans-96.4150.1174.6-174.20000110.8D145 D146 R300S143-D145 VanDerWaalsContact C-N 3.3Å; S143-D145 PolarHBondContact OG-N 3.27Å; S143-D146 WeakPolarHBondContact CB-OD2 3.47Å; S143-R300 PolarHBondContact O-NH1 2.97Å
144T83.1Confident94.8Very high109 Ų10951.9 Ų51.967%0.66928%0.284SS*.SBendtrans-74.4-22.9170.650.80000112.8R300T144-R300 PolarHBondContact O-NH2 3.5Å
145D86.7Confident94.7Very high133 Ų13354.2 Ų54.271%0.71130%0.304SS*.SBendtrans-91.1-11.6-174.2-59-24.3000112.7S143S143-D145 VanDerWaalsContact C-N 3.3Å; S143-D145 PolarHBondContact OG-N 3.27Å
146D92.3Very high94.7Very high85 Ų8556.3 Ų56.346%0.45532%0.318SS..  trans-87.5147.4-177.7-66.3-21.5000111.4L141 S143 R300L141-D146 HydrophobicContact CD2-CB 3.9Å; S143-D146 WeakPolarHBondContact CB-OD2 3.47Å; D146-R300 PolarHBondContact O-NH1 2.82Å; D146-R300 PolarHBondContact O-NH2 2.78Å
147F95.5Very high94.6Very high74 Ų7458.3 Ų58.333%0.32533%0.334SS..  trans-136.3152.5172.6-69.3-97000109.6T149 E256 A302 D304F147-T149 PolarHBondContact O-N 3.06Å; F147-E256 WeakPolarHBondContact CE1-OE2 3.18Å; F147-A302 HydrophobicContact CD1-CB 3.66Å; F147-A302 HydrophobicContact CE1-CB 3.88Å; F147-A302 HydrophobicContact CG-CB 4.49Å; F147-D304 HydrophobicContact CB-CB 3.84Å
148F97.2Very high94.4Very high2 Ų259 Ų591%0.00934%0.338CS..BIsolated β-bridgetrans-72.8119.4172.1-64-41000110.8D135 Y138 G139 L141 T152 N250 Y301 A302 I303 D304D135-F148 HydrophobicContact CB-CD2 4.32Å; Y138-F148 VanDerWaalsContact CB-CE1 3.42Å; Y138-F148 HydrophobicContact CD2-CB 3.66Å; Y138-F148 HydrophobicContact CD2-CD1 4.22Å; Y138-F148 AromaticContact CD2-CD2 3.98Å; Y138-F148 HydrophobicContact CD2-CD2 3.98Å; Y138-F148 AromaticContact CD2-CG 3.71Å; Y138-F148 HydrophobicContact CD2-CG 3.71Å; Y138-F148 HydrophobicContact CE2-CB 4.15Å; Y138-F148 HydrophobicContact CG-CB 4.16Å; Y138-F148 AromaticContact CG-CD1 3.98Å; Y138-F148 HydrophobicContact CG-CD1 3.98Å; Y138-F148 HydrophobicContact CG-CD2 4.45Å; Y138-F148 HydrophobicContact CG-CE1 4.47Å; Y138-F148 AromaticContact CG-CG 3.96Å; Y138-F148 HydrophobicContact CG-CG 3.96Å; G139-F148 WeakPolarHBondContact O-CZ 3.12Å; L141-F148 HydrophobicContact CD1-CD1 4.09Å; L141-F148 HydrophobicContact CD1-CD2 4.28Å; L141-F148 HydrophobicContact CD1-CE1 3.94Å; L141-F148 HydrophobicContact CD1-CE2 4.12Å; L141-F148 HydrophobicContact CD1-CG 4.27Å; L141-F148 HydrophobicContact CD1-CZ 3.94Å; L141-F148 HydrophobicContact CD2-CD1 3.76Å; L141-F148 HydrophobicContact CD2-CE1 3.41Å; L141-F148 VanDerWaalsContact CD2-CE1 3.41Å; L141-F148 HydrophobicContact CD2-CZ 4.07Å; L141-F148 HydrophobicContact CG-CD1 3.98Å; L141-F148 HydrophobicContact CG-CE1 3.4Å; L141-F148 VanDerWaalsContact CG-CE1 3.4Å; L141-F148 HydrophobicContact CG-CE2 4.19Å; L141-F148 HydrophobicContact CG-CZ 3.51Å; F148-T152 HydrophobicContact CD1-CG2 3.97Å; F148-T152 HydrophobicContact CE1-CG2 4.49Å; F148-N250 PolarHBondContact O-ND2 2.79Å; F148-Y301 AromaticContact CE2-CD1 3.85Å; F148-Y301 HydrophobicContact CE2-CD1 3.85Å; F148-Y301 HydrophobicContact CE2-CG 4.26Å; F148-Y301 HydrophobicContact CZ-CD1 4.19Å; F148-A302 WeakPolarHBondContact CB-O 3.26Å; F148-A302 WeakPolarHBondContact CD2-O 3.35Å; F148-A302 PolarHBondContact N-O 3.13Å; F148-I303 HydrophobicContact CB-CD1 3.9Å; F148-I303 HydrophobicContact CD2-CD1 4.4Å; F148-D304 WeakPolarHBondContact O-CB 3.46Å; F148-D304 PolarHBondContact O-N 2.89Å
149T97.6Very high94.3Very high39 Ų3960.9 Ų60.924%0.23935%0.352CS..  trans-105.6165.5171.668.90000109.2F147 T151 T152 N250 D304F147-T149 PolarHBondContact O-N 3.06Å; T149-T151 PolarHBondContact O-N 3.04Å; T149-T151 PolarHBondContact OG1-N 3.07Å; T149-T151 PolarHBondContact OG1-OG1 2.92Å; T149-T152 PolarHBondContact N-OG1 2.85Å; T149-T152 WeakPolarHBondContact O-CB 3.37Å; T149-T152 PolarHBondContact O-N 3.35Å; T149-T152 PolarHBondContact O-OG1 3.48Å; T149-T152 PolarHBondContact OG1-N 3.02Å; T149-T152 PolarHBondContact OG1-OG1 3.08Å; T149-N250 WeakPolarHBondContact CA-ND2 3.31Å; T149-D304 HydrophobicContact CG2-CB 4.23Å
150E98.3Very high94.3Very high39 Ų3961.9 Ų61.918%0.18236%0.355CS..THydrogen-bonded Turntrans-65.8-11.3177.2-61.589.6164.600113.5T248 N250 K307E150-T248 HydrophobicContact CB-CG2 4.21Å; E150-T248 HydrophobicContact CG-CG2 3.92Å; E150-T248 WeakPolarHBondContact CG-O 3.43Å; E150-N250 HydrophobicContact CG-CB 4.23Å; E150-N250 PolarHBondContact N-ND2 3.37Å; E150-N250 PolarHBondContact OE1-N 2.77Å; E150-K307 VanDerWaalsContact CD-CD 3.49Å; E150-K307 HydrophobicContact CG-CD 4.18Å; E150-K307 VanDerWaalsContact OE1-CB 3.25Å; E150-K307 WeakPolarHBondContact OE1-CB 3.49Å; E150-K307 WeakPolarHBondContact OE1-CD 3.37Å
151T97.8Very high94.5Very high127 Ų12760 Ų6078%0.77935%0.345SS*.THydrogen-bonded Turntrans-96.9-2.4174.454.30000114T149T149-T151 PolarHBondContact O-N 3.04Å; T149-T151 PolarHBondContact OG1-N 3.07Å; T149-T151 PolarHBondContact OG1-OG1 2.92Å
152T97.7Very high94.7Very high32 Ų3260.9 Ų60.920%0.19636%0.355CS..SBendtrans-63.2130.6175.8-61.50000110Y138 F148 T149Y138-T152 HydrophobicContact CD1-CG2 3.99Å; Y138-T152 WeakPolarHBondContact CD1-O 3.35Å; Y138-T152 WeakPolarHBondContact CE1-O 3.33Å; Y138-T152 HydrophobicContact CG-CG2 4.3Å; F148-T152 HydrophobicContact CD1-CG2 3.97Å; F148-T152 HydrophobicContact CE1-CG2 4.49Å; T149-T152 PolarHBondContact N-OG1 2.85Å; T149-T152 WeakPolarHBondContact O-CB 3.37Å; T149-T152 PolarHBondContact O-N 3.35Å; T149-T152 PolarHBondContact O-OG1 3.48Å; T149-T152 PolarHBondContact OG1-N 3.02Å; T149-T152 PolarHBondContact OG1-OG1 3.08Å
153P97.8Very high95.2Very high102 Ų10253.2 Ų53.266%0.66232%0.319SS*.PPolyproline II helixtrans-59.6147.8176.9-23.834.3000112.4
154Y98.3Very high95.8Very high50 Ų5051.5 Ų51.520%0.19631%0.306CS..PPolyproline II helixtrans-76.8130.9175.9-77.326.2000109.7V137 Y138 A165 D168 H169 R172V137-Y154 HydrophobicContact CB-CD2 4Å; V137-Y154 HydrophobicContact CB-CE2 3.85Å; V137-Y154 HydrophobicContact CB-CG 4.34Å; V137-Y154 HydrophobicContact CG1-CE2 4.34Å; V137-Y154 HydrophobicContact CG2-CD1 4.12Å; V137-Y154 HydrophobicContact CG2-CD2 4.25Å; V137-Y154 HydrophobicContact CG2-CE1 3.76Å; V137-Y154 HydrophobicContact CG2-CE2 3.82Å; V137-Y154 HydrophobicContact CG2-CG 4.35Å; V137-Y154 CarbonylContact O-C 3.59Å; V137-Y154 VanDerWaalsContact O-CA 3.25Å; V137-Y154 WeakPolarHBondContact O-CA 3.43Å; Y138-Y154 HydrophobicContact CD1-CD1 4.08Å; Y138-Y154 HydrophobicContact CD1-CE1 4.17Å; Y138-Y154 HydrophobicContact CE1-CD1 4.02Å; Y138-Y154 AromaticContact CE1-CE1 3.67Å; Y138-Y154 HydrophobicContact CE1-CE1 3.67Å; Y154-A165 HydrophobicContact CD2-CB 3.67Å; Y154-A165 HydrophobicContact CE2-CB 4.16Å; Y154-D168 HydrophobicContact CE2-CB 3.75Å; Y154-D168 WeakPolarHBondContact CE2-OD2 3.33Å; Y154-D168 PolarHBondContact OH-OD2 3.42Å; Y154-H169 AromaticContact CD2-CE1 3.71Å; Y154-H169 AromaticContact CD2-NE2 3.75Å; Y154-R172 PolarHBondContact OH-NH1 3.4Å; Y154-R172 PolarHBondContact OH-NH2 2.99Å
155A97.6Very high96.5Very high58 Ų5846.5 Ų46.548%0.47928%0.276SS..  trans-14856.2-179.300000112.2V137 G139V137-A155 PolarHBondContact O-N 3.4Å; G139-A155 WeakPolarHBondContact CA-O 3.42Å
156P97.2Very high97.1Very high46 Ų4642.2 Ų42.230%0.29926%0.257SS..  trans-67134.3-170.727.8-36.1000113.8S161 A162 A165P156-S161 VanDerWaalsContact CB-C 3.4Å; P156-S161 WeakPolarHBondContact CB-OG 3.23Å; P156-A162 HydrophobicContact CB-CB 4.23Å; P156-A162 HydrophobicContact CG-CB 4.06Å; P156-A165 HydrophobicContact CB-CB 4.4Å; P156-A165 HydrophobicContact CG-CB 3.92Å
157S94.9Very high97.4Very high60 Ų6038.2 Ų38.242%0.4224%0.235SC..  trans-91.1-13.3-176.7-57.40000116.1S161 D298S157-S161 PolarHBondContact N-OG 3.32Å; S157-D298 VanDerWaalsContact CB-OD1 3.25Å; S157-D298 WeakPolarHBondContact CB-OD1 3.36Å; S157-D298 WeakPolarHBondContact CB-OD2 3.42Å; S157-D298 VanDerWaalsContact OG-CG 3.29Å; S157-D298 PolarHBondContact OG-OD1 2.82Å; S157-D298 PolarHBondContact OG-OD2 3Å; S157-D298 VanDerWaalsContact OG-OD2 3.1Å
158S94.6Very high97.6Very high14 Ų1434.7 Ų34.710%0.09822%0.22CC..SBendtrans-131.3160.7-17373.50000113.1Y160 S161 A162S158-Y160 PolarHBondContact O-N 2.97Å; S158-S161 PolarHBondContact N-OG 2.82Å; S158-S161 VanDerWaalsContact N-OG 3.11Å; S158-S161 PolarHBondContact O-N 3.21Å; S158-S161 PolarHBondContact O-OG 2.85Å; S158-S161 PolarHBondContact OG-N 2.89Å; S158-S161 VanDerWaalsContact OG-N 3.11Å; S158-S161 PolarHBondContact OG-OG 3.29Å; S158-S161 VanDerWaalsContact OG-OG 3.06Å; S158-A162 VanDerWaalsContact O-CB 3.25Å; S158-A162 WeakPolarHBondContact O-CB 3.48Å; S158-A162 PolarHBondContact O-N 3.37Å
159P95.2Very high97.6Very high47 Ų4739.5 Ų39.531%0.30524%0.242SC..Hα-helixtrans-56.7-34.8172.8-25.335.1000112.9P94 S163P94-P159 HydrophobicContact CB-CB 3.87Å; P94-P159 HydrophobicContact CB-CG 4.35Å; P159-S163 VanDerWaalsContact O-CB 3.28Å; P159-S163 WeakPolarHBondContact O-CB 3.49Å; P159-S163 PolarHBondContact O-N 2.97Å; P159-S163 PolarHBondContact O-OG 2.92Å
160Y96.5Very high97.7Very high21 Ų2139.6 Ų39.68%0.08224%0.241CC..Hα-helixtrans-60.3-59.7172165.3-112.4000112E84 V87 S90 F97 T134 E136 S158 A162 S163 K164E84-Y160 VanDerWaalsContact O-CD2 3.28Å; E84-Y160 WeakPolarHBondContact O-CD2 3.43Å; E84-Y160 WeakPolarHBondContact O-CE2 3.44Å; V87-Y160 HydrophobicContact CG2-CD1 3.77Å; V87-Y160 HydrophobicContact CG2-CE1 4.49Å; V87-Y160 HydrophobicContact CG2-CG 4.41Å; S90-Y160 PolarHBondContact OG-N 3.15Å; F97-Y160 AromaticContact CD1-CD2 3.88Å; F97-Y160 HydrophobicContact CD1-CD2 3.88Å; F97-Y160 HydrophobicContact CD1-CG 4.39Å; F97-Y160 AromaticContact CE1-CD2 3.79Å; F97-Y160 HydrophobicContact CE1-CD2 3.79Å; F97-Y160 HydrophobicContact CE1-CG 4.2Å; T134-Y160 HydrophobicContact CG2-CE1 4.14Å; E136-Y160 HydrophobicContact CG-CE1 4.44Å; E136-Y160 WeakPolarHBondContact OE1-CE1 3.28Å; S158-Y160 PolarHBondContact O-N 2.97Å; Y160-A162 VanDerWaalsContact C-N 3.29Å; Y160-A162 PolarHBondContact O-N 3.5Å; Y160-S163 PolarHBondContact O-N 3.33Å; Y160-S163 VanDerWaalsContact O-N 3.13Å; Y160-S163 PolarHBondContact O-OG 3.32Å; Y160-K164 HydrophobicContact CD2-CG 4.12Å; Y160-K164 HydrophobicContact CE2-CD 4.14Å; Y160-K164 HydrophobicContact CE2-CG 3.55Å; Y160-K164 PolarHBondContact O-N 2.98Å
161S97.5Very high97.7Very high0 Ų037.8 Ų37.80%023%0.232CC..Hα-helixtrans-67-32.1-175.653.70000112.2E136 P156 S157 S158 K164 A165E136-S161 VanDerWaalsContact O-CB 3.27Å; E136-S161 WeakPolarHBondContact O-CB 3.39Å; P156-S161 VanDerWaalsContact CB-C 3.4Å; P156-S161 WeakPolarHBondContact CB-OG 3.23Å; S157-S161 PolarHBondContact N-OG 3.32Å; S158-S161 PolarHBondContact N-OG 2.82Å; S158-S161 VanDerWaalsContact N-OG 3.11Å; S158-S161 PolarHBondContact O-N 3.21Å; S158-S161 PolarHBondContact O-OG 2.85Å; S158-S161 PolarHBondContact OG-N 2.89Å; S158-S161 VanDerWaalsContact OG-N 3.11Å; S158-S161 PolarHBondContact OG-OG 3.29Å; S158-S161 VanDerWaalsContact OG-OG 3.06Å; S161-K164 PolarHBondContact O-N 2.76Å; S161-A165 VanDerWaalsContact O-CB 3.28Å; S161-A165 WeakPolarHBondContact O-CB 3.21Å; S161-A165 PolarHBondContact O-N 2.97Å
162A98.2Very high97.8Very high36 Ų3635.3 Ų35.330%0.29821%0.209SC..Hα-helixtrans-65.5-38.7173.300000112.1P156 S158 Y160 S166P156-A162 HydrophobicContact CB-CB 4.23Å; P156-A162 HydrophobicContact CG-CB 4.06Å; S158-A162 VanDerWaalsContact O-CB 3.25Å; S158-A162 WeakPolarHBondContact O-CB 3.48Å; S158-A162 PolarHBondContact O-N 3.37Å; Y160-A162 VanDerWaalsContact C-N 3.29Å; Y160-A162 PolarHBondContact O-N 3.5Å; A162-S166 WeakPolarHBondContact O-CB 3.3Å; A162-S166 PolarHBondContact O-N 3.02Å; A162-S166 PolarHBondContact O-OG 3.2Å
163S98.5Very high97.8Very high0 Ų035.7 Ų35.70%022%0.216CC..Hα-helixtrans-66.9-37.117574.90000112.7N101 P159 Y160 S166 S167N101-S163 PolarHBondContact ND2-OG 3.41Å; P159-S163 VanDerWaalsContact O-CB 3.28Å; P159-S163 WeakPolarHBondContact O-CB 3.49Å; P159-S163 PolarHBondContact O-N 2.97Å; P159-S163 PolarHBondContact O-OG 2.92Å; Y160-S163 PolarHBondContact O-N 3.33Å; Y160-S163 VanDerWaalsContact O-N 3.13Å; Y160-S163 PolarHBondContact O-OG 3.32Å; S163-S166 WeakPolarHBondContact O-CB 3.14Å; S163-S166 PolarHBondContact O-N 3.38Å; S163-S167 PolarHBondContact O-N 2.79Å
164K98.7Very high97.9Very high7 Ų732 Ų323%0.0319%0.189CC..Hα-helixtrans-71.8-41.4174.8-68.7-62.7-62.8168.90112.5A83 N101 I132 T134 V137 Y160 S161 S166 S167 D168A83-K164 HydrophobicContact CB-CD 4.39Å; N101-K164 HydrophobicContact CB-CD 4.48Å; I132-K164 PolarHBondContact O-NZ 3.04Å; T134-K164 HydrophobicContact CG2-CB 4Å; T134-K164 HydrophobicContact CG2-CG 4.17Å; V137-K164 HydrophobicContact CG1-CB 4.09Å; Y160-K164 HydrophobicContact CD2-CG 4.12Å; Y160-K164 HydrophobicContact CE2-CD 4.14Å; Y160-K164 HydrophobicContact CE2-CG 3.55Å; Y160-K164 PolarHBondContact O-N 2.98Å; S161-K164 PolarHBondContact O-N 2.76Å; K164-S166 VanDerWaalsContact C-N 3.25Å; K164-S166 PolarHBondContact O-N 3.05Å; K164-S167 WeakPolarHBondContact CA-OG 3.27Å; K164-S167 PolarHBondContact O-N 3.01Å; K164-S167 PolarHBondContact O-OG 3.39Å; K164-D168 PolarHBondContact O-N 3.33Å
165A98.7Very high97.9Very high4 Ų431.8 Ų31.83%0.03319%0.191CC..Hα-helixtrans-57.3-42.3171.900000111.3V137 Y154 P156 S161 D168 H169V137-A165 HydrophobicContact CB-CB 4.18Å; V137-A165 HydrophobicContact CG1-CB 4.14Å; Y154-A165 HydrophobicContact CD2-CB 3.67Å; Y154-A165 HydrophobicContact CE2-CB 4.16Å; P156-A165 HydrophobicContact CB-CB 4.4Å; P156-A165 HydrophobicContact CG-CB 3.92Å; S161-A165 VanDerWaalsContact O-CB 3.28Å; S161-A165 WeakPolarHBondContact O-CB 3.21Å; S161-A165 PolarHBondContact O-N 2.97Å; A165-D168 PolarHBondContact O-N 3.38Å; A165-H169 PolarHBondContact O-CD2 2.89Å; A165-H169 PolarHBondContact O-N 3.07Å; A165-H169 VanDerWaalsContact O-N 3.12Å
166S98.8Very high97.9Very high44 Ų4439.6 Ų39.631%0.30821%0.207SC..Hα-helixtrans-63-43.1175.7-580000112.4A162 S163 K164 H169 L170A162-S166 WeakPolarHBondContact O-CB 3.3Å; A162-S166 PolarHBondContact O-N 3.02Å; A162-S166 PolarHBondContact O-OG 3.2Å; S163-S166 WeakPolarHBondContact O-CB 3.14Å; S163-S166 PolarHBondContact O-N 3.38Å; K164-S166 VanDerWaalsContact C-N 3.25Å; K164-S166 PolarHBondContact O-N 3.05Å; S166-H169 PolarHBondContact O-N 3.1Å; S166-L170 WeakPolarHBondContact O-CG 3.17Å; S166-L170 PolarHBondContact O-N 3.15Å; S166-L170 VanDerWaalsContact O-N 3.1Å
167S98.7Very high98Very high0 Ų041.9 Ų41.90%022%0.221CC..Hα-helixtrans-63.3-40.8177.168.10000112.3N101 T105 H131 S163 K164 H169 L170 V171N101-S167 VanDerWaalsContact O-CB 3.31Å; N101-S167 WeakPolarHBondContact O-CB 3.39Å; T105-S167 WeakPolarHBondContact OG1-CB 3.3Å; H131-S167 PolarHBondContact CE1-OG 3.38Å; H131-S167 PolarHBondContact NE2-OG 2.85Å; S163-S167 PolarHBondContact O-N 2.79Å; K164-S167 WeakPolarHBondContact CA-OG 3.27Å; K164-S167 PolarHBondContact O-N 3.01Å; K164-S167 PolarHBondContact O-OG 3.39Å; S167-H169 VanDerWaalsContact C-N 3.33Å; S167-H169 PolarHBondContact O-N 3.47Å; S167-L170 WeakPolarHBondContact O-CB 3.36Å; S167-L170 PolarHBondContact O-N 2.93Å; S167-V171 VanDerWaalsContact O-CG2 3.31Å; S167-V171 WeakPolarHBondContact O-CG2 3.49Å; S167-V171 PolarHBondContact O-N 2.94Å
168D98.8Very high98.1Very high0 Ų043.9 Ų43.90%022%0.22CC..Hα-helixtrans-60.8-41.6174.8-68.56.6000111.7H131 S133 Y154 K164 A165 V171 R172 I184 N186H131-D168 IonicContact CD2-OD1 3.34Å; H131-D168 PolarHBondContact CD2-OD1 2.56Å; H131-D168 IonicContact NE2-OD1 3.64Å; H131-D168 PolarHBondContact NE2-OD1 2.95Å; H131-D168 VanDerWaalsContact NE2-OD1 3.11Å; S133-D168 WeakPolarHBondContact CB-OD1 3.33Å; S133-D168 VanDerWaalsContact OG-CG 3.29Å; S133-D168 PolarHBondContact OG-OD1 3.29Å; S133-D168 PolarHBondContact OG-OD2 3.31Å; Y154-D168 HydrophobicContact CE2-CB 3.75Å; Y154-D168 WeakPolarHBondContact CE2-OD2 3.33Å; Y154-D168 PolarHBondContact OH-OD2 3.42Å; K164-D168 PolarHBondContact O-N 3.33Å; A165-D168 PolarHBondContact O-N 3.38Å; D168-V171 PolarHBondContact O-N 2.89Å; D168-R172 WeakPolarHBondContact O-CG 3.2Å; D168-R172 PolarHBondContact O-N 3.27Å; D168-I184 HydrophobicContact CB-CD1 4.37Å; D168-N186 PolarHBondContact OD2-ND2 3.47Å
169H98.8Very high98.3Very high103 Ų10345 Ų4548%0.47723%0.233SC..Hα-helixtrans-62.8-42176.8-68.3-42000112.1Y154 A165 S166 S167 R172 A173Y154-H169 AromaticContact CD2-CE1 3.71Å; Y154-H169 AromaticContact CD2-NE2 3.75Å; A165-H169 PolarHBondContact O-CD2 2.89Å; A165-H169 PolarHBondContact O-N 3.07Å; A165-H169 VanDerWaalsContact O-N 3.12Å; S166-H169 PolarHBondContact O-N 3.1Å; S167-H169 VanDerWaalsContact C-N 3.33Å; S167-H169 PolarHBondContact O-N 3.47Å; H169-R172 PolarHBondContact O-N 3.08Å; H169-A173 VanDerWaalsContact O-CB 3.3Å; H169-A173 WeakPolarHBondContact O-CB 3.39Å; H169-A173 PolarHBondContact O-N 2.83Å
170L98.9Very high98.5Very high42 Ų4242.7 Ų42.722%0.2222%0.219CC..Hα-helixtrans-59.5-49174.1-64.7174.5000110.8I102 L109 S166 S167 R172 A173 W174I102-L170 HydrophobicContact CG2-CD1 3.97Å; L109-L170 HydrophobicContact CD1-CB 3.82Å; S166-L170 WeakPolarHBondContact O-CG 3.17Å; S166-L170 PolarHBondContact O-N 3.15Å; S166-L170 VanDerWaalsContact O-N 3.1Å; S167-L170 WeakPolarHBondContact O-CB 3.36Å; S167-L170 PolarHBondContact O-N 2.93Å; L170-R172 VanDerWaalsContact C-N 3.34Å; L170-R172 PolarHBondContact O-N 3.43Å; L170-A173 PolarHBondContact O-N 3.05Å; L170-A173 VanDerWaalsContact O-N 3.12Å; L170-W174 HydrophobicContact CB-CE3 4.39Å; L170-W174 HydrophobicContact CB-CZ3 4.27Å; L170-W174 HydrophobicContact CD2-CH2 4.46Å; L170-W174 HydrophobicContact CD2-CZ3 3.81Å; L170-W174 PolarHBondContact O-N 3.48Å
171V98.9Very high98.6Very high0 Ų042.2 Ų42.20%022%0.218CC..Hα-helixtrans-59.2-43.9-178.7173.60000111.8T105 L109 F129 H131 S167 D168 W174 L175 T182 I184T105-V171 HydrophobicContact CG2-CG2 3.99Å; L109-V171 HydrophobicContact CD1-CG2 4.02Å; L109-V171 HydrophobicContact CD2-CG2 4.19Å; L109-V171 HydrophobicContact CG-CG2 4.45Å; F129-V171 HydrophobicContact CE1-CG2 4.28Å; H131-V171 HydrophobicContact CB-CB 4.44Å; H131-V171 HydrophobicContact CB-CG1 4Å; H131-V171 HydrophobicContact CB-CG2 3.89Å; S167-V171 VanDerWaalsContact O-CG2 3.31Å; S167-V171 WeakPolarHBondContact O-CG2 3.49Å; S167-V171 PolarHBondContact O-N 2.94Å; D168-V171 PolarHBondContact O-N 2.89Å; V171-W174 PolarHBondContact O-N 3.41Å; V171-L175 PolarHBondContact O-N 2.99Å; V171-T182 HydrophobicContact CG1-CG2 3.76Å; V171-T182 PolarHBondContact O-OG1 2.94Å; V171-I184 HydrophobicContact CB-CD1 4.18Å; V171-I184 HydrophobicContact CG1-CD1 3.96Å; V171-I184 HydrophobicContact CG1-CG1 3.86Å
172R98.7Very high98.6Very high75 Ų7542.4 Ų42.428%0.28322%0.219SC..Hα-helixtrans-65.4-41.3175.8-66.6-171.9-176.698.9-0.1112.1Y154 D168 H169 L170 W174 L175 R176 I184 T248Y154-R172 PolarHBondContact OH-NH1 3.4Å; Y154-R172 PolarHBondContact OH-NH2 2.99Å; D168-R172 WeakPolarHBondContact O-CG 3.2Å; D168-R172 PolarHBondContact O-N 3.27Å; H169-R172 PolarHBondContact O-N 3.08Å; L170-R172 VanDerWaalsContact C-N 3.34Å; L170-R172 PolarHBondContact O-N 3.43Å; R172-W174 VanDerWaalsContact C-N 3.32Å; R172-W174 PolarHBondContact O-N 3.27Å; R172-L175 PolarHBondContact O-N 3.48Å; R172-R176 PolarHBondContact O-N 2.92Å; R172-I184 HydrophobicContact CG-CD1 3.47Å; R172-I184 VanDerWaalsContact CG-CD1 3.47Å; R172-T248 PolarHBondContact NH2-OG1 3.2Å; R172-T248 VanDerWaalsContact NH2-OG1 3.15Å
173A98.8Very high98.7Very high41 Ų4140.7 Ų40.734%0.33921%0.205SC..Hα-helixtrans-65.5-34.6178.800000112.2H169 L170 R176 T177H169-A173 VanDerWaalsContact O-CB 3.3Å; H169-A173 WeakPolarHBondContact O-CB 3.39Å; H169-A173 PolarHBondContact O-N 2.83Å; L170-A173 PolarHBondContact O-N 3.05Å; L170-A173 VanDerWaalsContact O-N 3.12Å; A173-R176 PolarHBondContact O-N 3.13Å; A173-T177 VanDerWaalsContact O-CB 3.23Å; A173-T177 WeakPolarHBondContact O-CB 3.49Å; A173-T177 PolarHBondContact O-N 3.39Å; A173-T177 PolarHBondContact O-OG1 3.18Å
174W98.7Very high98.7Very high25 Ų2540.9 Ų40.910%0.09521%0.206CC..Hα-helixtrans-66.8-40.4176.6-103.4-112.2000112.5Y106 L109 E110 L170 V171 R172 Y178 G179 L180Y106-W174 AromaticContact CD2-CH2 3.6Å; Y106-W174 HydrophobicContact CD2-CH2 3.6Å; Y106-W174 AromaticContact CD2-CZ2 3.69Å; Y106-W174 HydrophobicContact CD2-CZ2 3.69Å; Y106-W174 AromaticContact CE2-CH2 4Å; Y106-W174 HydrophobicContact CE2-CH2 4Å; Y106-W174 AromaticContact CE2-CZ2 3.88Å; Y106-W174 HydrophobicContact CE2-CZ2 3.88Å; L109-W174 HydrophobicContact CB-CD2 4.16Å; L109-W174 HydrophobicContact CB-CG 4.08Å; L109-W174 HydrophobicContact CD1-CB 4.45Å; L109-W174 HydrophobicContact CD1-CD2 3.94Å; L109-W174 HydrophobicContact CD1-CE3 4.13Å; L109-W174 HydrophobicContact CD1-CG 4.11Å; L109-W174 HydrophobicContact CD2-CB 4.1Å; L109-W174 HydrophobicContact CD2-CG 4.12Å; L109-W174 HydrophobicContact CG-CG 4.35Å; E110-W174 HydrophobicContact CG-CZ2 4.08Å; E110-W174 WeakPolarHBondContact OE1-CZ2 3.15Å; E110-W174 PolarHBondContact OE1-NE1 3.36Å; L170-W174 HydrophobicContact CB-CE3 4.39Å; L170-W174 HydrophobicContact CB-CZ3 4.27Å; L170-W174 HydrophobicContact CD2-CH2 4.46Å; L170-W174 HydrophobicContact CD2-CZ3 3.81Å; L170-W174 PolarHBondContact O-N 3.48Å; V171-W174 PolarHBondContact O-N 3.41Å; R172-W174 VanDerWaalsContact C-N 3.32Å; R172-W174 PolarHBondContact O-N 3.27Å; W174-Y178 HydrophobicContact CB-CD2 4.24Å; W174-Y178 AromaticContact CD1-CD2 3.59Å; W174-Y178 AromaticContact CD1-CE2 3.93Å; W174-Y178 HydrophobicContact CD2-CD2 4.15Å; W174-Y178 AromaticContact CD2-CE2 3.88Å; W174-Y178 HydrophobicContact CD2-CE2 3.88Å; W174-Y178 AromaticContact CE2-CE2 3.82Å; W174-Y178 HydrophobicContact CE3-CE2 4.46Å; W174-Y178 AromaticContact CG-CD2 3.75Å; W174-Y178 HydrophobicContact CG-CD2 3.75Å; W174-Y178 AromaticContact CG-CE2 3.99Å; W174-Y178 HydrophobicContact CG-CE2 3.99Å; W174-Y178 HydrophobicContact CZ2-CE2 4.38Å; W174-Y178 AromaticContact NE1-CD2 3.89Å; W174-Y178 AromaticContact NE1-CE2 3.79Å; W174-Y178 WeakPolarHBondContact O-CA 3.18Å; W174-Y178 WeakPolarHBondContact O-CB 3.41Å; W174-Y178 PolarHBondContact O-N 2.98Å; W174-G179 PolarHBondContact O-N 3.13Å; W174-L180 HydrophobicContact CB-CD2 4.39Å
175L98.6Very high98.7Very high45 Ų4540.6 Ų40.624%0.23621%0.205CC..Hα-helixtrans-61.3-50.7170.2169.365000111V171 R172 T177 G179 L180 T182 V245V171-L175 PolarHBondContact O-N 2.99Å; R172-L175 PolarHBondContact O-N 3.48Å; L175-T177 VanDerWaalsContact C-N 3.33Å; L175-T177 PolarHBondContact O-N 2.88Å; L175-G179 WeakPolarHBondContact O-CA 3.3Å; L175-G179 PolarHBondContact O-N 3.35Å; L175-L180 WeakPolarHBondContact CA-O 3.38Å; L175-L180 WeakPolarHBondContact CB-O 3.35Å; L175-L180 WeakPolarHBondContact CD1-O 3.34Å; L175-T182 HydrophobicContact CB-CG2 4.43Å; L175-T182 WeakPolarHBondContact CB-OG1 3.42Å; L175-V245 HydrophobicContact CD1-CG1 4.05Å
176R98.6Very high98.7Very high221 Ų22140.4 Ų40.483%0.83420%0.203SC*.Hα-helixtrans-62-40.4-176.617859.468.7116.94.1112.7R172 A173R172-R176 PolarHBondContact O-N 2.92Å; A173-R176 PolarHBondContact O-N 3.13Å
177T98.6Very high98.7Very high94 Ų9438.7 Ų38.758%0.57719%0.191SC*.Hα-helixtrans-87.5-40.9-172.2-51.70000112.2A173 L175A173-T177 VanDerWaalsContact O-CB 3.23Å; A173-T177 WeakPolarHBondContact O-CB 3.49Å; A173-T177 PolarHBondContact O-N 3.39Å; A173-T177 PolarHBondContact O-OG1 3.18Å; L175-T177 VanDerWaalsContact C-N 3.33Å; L175-T177 PolarHBondContact O-N 2.88Å
178Y98.3Very high98.6Very high102 Ų10238.8 Ų38.840%0.419%0.192SC..Hα-helixtrans-115.7-7.7-170.1-49.6-65.8000113.9R113 W116 W174 L180R113-Y178 VanDerWaalsContact CD-CG 3.44Å; W116-Y178 WeakPolarHBondContact CZ3-O 3.27Å; W174-Y178 HydrophobicContact CB-CD2 4.24Å; W174-Y178 AromaticContact CD1-CD2 3.59Å; W174-Y178 AromaticContact CD1-CE2 3.93Å; W174-Y178 HydrophobicContact CD2-CD2 4.15Å; W174-Y178 AromaticContact CD2-CE2 3.88Å; W174-Y178 HydrophobicContact CD2-CE2 3.88Å; W174-Y178 AromaticContact CE2-CE2 3.82Å; W174-Y178 HydrophobicContact CE3-CE2 4.46Å; W174-Y178 AromaticContact CG-CD2 3.75Å; W174-Y178 HydrophobicContact CG-CD2 3.75Å; W174-Y178 AromaticContact CG-CE2 3.99Å; W174-Y178 HydrophobicContact CG-CE2 3.99Å; W174-Y178 HydrophobicContact CZ2-CE2 4.38Å; W174-Y178 AromaticContact NE1-CD2 3.89Å; W174-Y178 AromaticContact NE1-CE2 3.79Å; W174-Y178 WeakPolarHBondContact O-CA 3.18Å; W174-Y178 WeakPolarHBondContact O-CB 3.41Å; W174-Y178 PolarHBondContact O-N 2.98Å; Y178-L180 VanDerWaalsContact C-N 3.28Å; Y178-L180 PolarHBondContact O-N 3.21Å
179G98.2Very high98.5Very high37 Ų3740.6 Ų40.638%0.38120%0.201SC..  trans76.210-177.600000114.7W116 W174 L175W116-G179 VanDerWaalsContact CH2-O 3.29Å; W116-G179 WeakPolarHBondContact CH2-O 3.36Å; W116-G179 WeakPolarHBondContact CZ2-O 3.18Å; W174-G179 PolarHBondContact O-N 3.13Å; L175-G179 WeakPolarHBondContact O-CA 3.3Å; L175-G179 PolarHBondContact O-N 3.35Å
180L98.6Very high98.5Very high0 Ų036.4 Ų36.40%018%0.183CC..  trans-58.2124.2178-17672.6000109.4L109 W116 F127 F129 W174 L175 Y178 T182L109-L180 HydrophobicContact CD2-CD2 3.77Å; W116-L180 HydrophobicContact CB-CD1 3.98Å; W116-L180 HydrophobicContact CD2-CD1 4.1Å; W116-L180 HydrophobicContact CE3-CD1 4.25Å; W116-L180 HydrophobicContact CG-CD1 4Å; F127-L180 HydrophobicContact CE1-CD1 4.13Å; F129-L180 HydrophobicContact CB-CD2 4.46Å; F129-L180 HydrophobicContact CG-CD2 4.47Å; W174-L180 HydrophobicContact CB-CD2 4.39Å; L175-L180 WeakPolarHBondContact CA-O 3.38Å; L175-L180 WeakPolarHBondContact CB-O 3.35Å; L175-L180 WeakPolarHBondContact CD1-O 3.34Å; Y178-L180 VanDerWaalsContact C-N 3.28Å; Y178-L180 PolarHBondContact O-N 3.21Å; L180-T182 HydrophobicContact CB-CG2 4.36Å; L180-T182 HydrophobicContact CD2-CG2 3.92Å; L180-T182 HydrophobicContact CG-CG2 4.04Å; L180-T182 PolarHBondContact O-N 2.9Å
181P98.6Very high98.5Very high11 Ų1134.4 Ų34.47%0.07117%0.172CC..  trans-76.284.6-171.729.5-35.9000111.8F127 F129 V245F127-P181 HydrophobicContact CB-CG 4.32Å; F127-P181 HydrophobicContact CD1-CG 3.88Å; F127-P181 WeakPolarHBondContact O-CB 3.33Å; F127-P181 WeakPolarHBondContact O-CG 3.37Å; F129-P181 PolarHBondContact N-O 3.42Å; P181-V245 HydrophobicContact CB-CB 4.46Å; P181-V245 HydrophobicContact CB-CG1 3.77Å; P181-V245 HydrophobicContact CB-CG2 3.77Å
182T98.8Very high98.4Very high3 Ų334.4 Ų34.42%0.01817%0.172CC..EExtended strand (participates in β ladder)trans-95.2153.2-175.665.60000113.6F129 V171 L175 L180 G246F129-T182 HydrophobicContact CB-CG2 4.1Å; F129-T182 HydrophobicContact CD1-CG2 4.19Å; F129-T182 HydrophobicContact CG-CG2 4.42Å; F129-T182 CarbonylContact O-C 3.45Å; F129-T182 WeakPolarHBondContact O-CA 3.42Å; V171-T182 HydrophobicContact CG1-CG2 3.76Å; V171-T182 PolarHBondContact O-OG1 2.94Å; L175-T182 HydrophobicContact CB-CG2 4.43Å; L175-T182 WeakPolarHBondContact CB-OG1 3.42Å; L180-T182 HydrophobicContact CB-CG2 4.36Å; L180-T182 HydrophobicContact CD2-CG2 3.92Å; L180-T182 HydrophobicContact CG-CG2 4.04Å; L180-T182 PolarHBondContact O-N 2.9Å; T182-G246 PolarHBondContact O-N 3.4Å
183L98.8Very high98.3Very high1 Ų131.2 Ų31.21%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-132.1145.8172-70.3158.5000107.8R128 F129 H130 H131 V239 K244 Y249R128-L183 HydrophobicContact CB-CD1 4.46Å; R128-L183 HydrophobicContact CG-CD1 4.48Å; F129-L183 PolarHBondContact O-N 3.44Å; H130-L183 HydrophobicContact CB-CB 4.39Å; H131-L183 PolarHBondContact N-O 3.31Å; L183-V239 HydrophobicContact CB-CG1 4.37Å; L183-V239 HydrophobicContact CD1-CG1 4.35Å; L183-V239 HydrophobicContact CD2-CG1 4.45Å; L183-K244 WeakPolarHBondContact CD2-O 3.46Å; L183-Y249 HydrophobicContact CD2-CE2 4.22Å
184I98.9Very high98.1Very high4 Ų430.5 Ų30.52%0.02115%0.15CC..EExtended strand (participates in β ladder)trans-126.1138.1175.2-60177.3000109.4H131 D168 V171 R172 N186 E247 T248 Y249H131-I184 HydrophobicContact CB-CG1 4.27Å; H131-I184 WeakPolarHBondContact O-CA 3.37Å; D168-I184 HydrophobicContact CB-CD1 4.37Å; V171-I184 HydrophobicContact CB-CD1 4.18Å; V171-I184 HydrophobicContact CG1-CD1 3.96Å; V171-I184 HydrophobicContact CG1-CG1 3.86Å; R172-I184 HydrophobicContact CG-CD1 3.47Å; R172-I184 VanDerWaalsContact CG-CD1 3.47Å; I184-N186 WeakPolarHBondContact CG2-OD1 3.48Å; I184-E247 PolarHBondContact N-O 2.95Å; I184-T248 HydrophobicContact CB-CG2 4.3Å; I184-T248 HydrophobicContact CG2-CG2 4.19Å; I184-T248 CarbonylContact O-C 3.54Å; I184-T248 VanDerWaalsContact O-CA 3.26Å; I184-T248 WeakPolarHBondContact O-CA 3.31Å; I184-Y249 PolarHBondContact O-N 3.48Å
185T98.9Very high97.9Very high0 Ų030.2 Ų30.20%015%0.15CC..EExtended strand (participates in β ladder)trans-123.6133.8168.349.30000110.9H130 H131 S133 L236 V239 Y249 I251H130-T185 WeakPolarHBondContact NE2-CG2 3.4Å; H130-T185 PolarHBondContact NE2-OG1 3.04Å; H131-T185 PolarHBondContact O-N 3.4Å; S133-T185 CarbonylContact C-O 3.58Å; S133-T185 WeakPolarHBondContact CA-O 3.21Å; S133-T185 WeakPolarHBondContact CB-O 3.28Å; S133-T185 PolarHBondContact N-O 3.39Å; T185-L236 HydrophobicContact CG2-CD2 4.43Å; T185-L236 WeakPolarHBondContact OG1-CD2 3.39Å; T185-V239 HydrophobicContact CG2-CB 4.09Å; T185-V239 HydrophobicContact CG2-CG1 3.77Å; T185-V239 HydrophobicContact CG2-CG2 3.85Å; T185-Y249 VanDerWaalsContact CA-O 3.24Å; T185-Y249 WeakPolarHBondContact CA-O 3.32Å; T185-I251 HydrophobicContact CG2-CD1 3.62Å; T185-I251 HydrophobicContact CG2-CG1 4.38Å
186N98.8Very high97Very high0 Ų030.2 Ų30.20%015%0.148CC..EExtended strand (participates in β ladder)trans-116.2113.1174.4-65.281.7000107.6S133 T134 V137 Y138 D168 I184 T248 Y249 N250 I251S133-N186 WeakPolarHBondContact CB-ND2 3.29Å; T134-N186 PolarHBondContact O-ND2 2.71Å; V137-N186 WeakPolarHBondContact CG2-ND2 3.32Å; Y138-N186 HydrophobicContact CE2-CB 3.93Å; D168-N186 PolarHBondContact OD2-ND2 3.47Å; I184-N186 WeakPolarHBondContact CG2-OD1 3.48Å; N186-T248 WeakPolarHBondContact OD1-CG2 3.48Å; N186-Y249 PolarHBondContact N-O 3.3Å; N186-N250 WeakPolarHBondContact O-CA 3.46Å; N186-I251 PolarHBondContact O-N 2.91Å
187C98.2Very high96.3Very high8 Ų821.7 Ų21.75%0.05412%0.121CC..EExtended strand (participates in β ladder)trans-109.4156.9-173.972.10000112.8S133 D135 N190 H232 I251S133-C187 PolarHBondContact O-N 3.3Å; D135-C187 WeakPolarHBondContact CB-O 3.32Å; D135-C187 PolarHBondContact N-O 2.71Å; C187-N190 PolarHBondContact SG-ND2 2.99Å; C187-H232 WeakPolarHBondContact CB-NE2 3.43Å; C187-H232 PolarHBondContact SG-CE1 3.12Å; C187-I251 CarbonylContact C-O 3.57Å; C187-I251 WeakPolarHBondContact CA-O 3.39Å; C187-I251 HydrophobicContact CB-CB 4.09Å
188S97.5Very high95.3Very high3 Ų319.2 Ų19.22%0.02110%0.103CC..  trans-77.3-177.7172.179.70000113.2D135 N190 D225 I251D135-S188 WeakPolarHBondContact OD2-CA 3.35Å; S188-N190 PolarHBondContact O-N 2.85Å; S188-N190 PolarHBondContact O-ND2 3.43Å; S188-D225 WeakPolarHBondContact CB-O 3.12Å; S188-D225 PolarHBondContact OG-O 3.14Å; S188-I251 PolarHBondContact N-O 2.83Å
189N97Very high94.7Very high37 Ų3717 Ų1720%0.19810%0.095CC..EExtended strand (participates in β ladder)trans-58.1123.8179.1-68.688.9000112.3R224 D225 W226 L227N189-R224 HydrophobicContact CB-CB 4.43Å; N189-R224 WeakPolarHBondContact OD1-CB 3.47Å; N189-R224 VanDerWaalsContact OD1-CD 3.25Å; N189-R224 WeakPolarHBondContact OD1-CD 3.4Å; N189-D225 PolarHBondContact N-O 3.35Å; N189-D225 VanDerWaalsContact N-O 3.07Å; N189-W226 HydrophobicContact CB-CD2 4.36Å; N189-W226 HydrophobicContact CB-CE3 3.82Å; N189-W226 HydrophobicContact CB-CH2 4.45Å; N189-W226 HydrophobicContact CB-CZ3 3.87Å; N189-W226 WeakPolarHBondContact O-CA 3.42Å; N189-L227 PolarHBondContact O-N 3.15Å
190N98.2Very high94.5Very high15 Ų1517 Ų178%0.089%0.087CC..EExtended strand (participates in β ladder)trans-90.9147.2178.7-82.9-118.1000112F12 I13 C187 S188 H195 L227 H232F12-N190 HydrophobicContact CE1-CB 3.77Å; F12-N190 HydrophobicContact CZ-CB 4.39Å; I13-N190 HydrophobicContact CD1-CB 4.01Å; I13-N190 HydrophobicContact CG1-CB 4.19Å; C187-N190 PolarHBondContact SG-ND2 2.99Å; S188-N190 PolarHBondContact O-N 2.85Å; S188-N190 PolarHBondContact O-ND2 3.43Å; N190-H195 PolarHBondContact O-CE1 3.4Å; N190-L227 VanDerWaalsContact CA-O 3.3Å; N190-L227 WeakPolarHBondContact CA-O 3.34Å; N190-H232 PolarHBondContact ND2-ND1 3.24Å; N190-H232 WeakPolarHBondContact OD1-CB 3.42Å; N190-H232 VanDerWaalsContact OD1-CG 3.3Å; N190-H232 PolarHBondContact OD1-ND1 3.25Å
191Y98.3Very high94.4Very high1 Ų117.1 Ų17.10%0.0049%0.087CC..EExtended strand (participates in β ladder)trans-149.3155.8172.577.6-77.3000112.2I201 W226 L227 Y228 V229 F320 G323 M324 T327Y191-I201 HydrophobicContact CD2-CD1 4.01Å; Y191-I201 HydrophobicContact CG-CD1 3.71Å; Y191-W226 HydrophobicContact CD1-CB 4Å; Y191-W226 HydrophobicContact CD1-CE3 4.18Å; Y191-W226 HydrophobicContact CE1-CB 3.94Å; Y191-W226 HydrophobicContact CG-CE3 4.44Å; Y191-L227 VanDerWaalsContact CD1-O 3.25Å; Y191-L227 WeakPolarHBondContact CD1-O 3.43Å; Y191-L227 PolarHBondContact N-O 3.26Å; Y191-Y228 HydrophobicContact CD2-CD2 4.33Å; Y191-Y228 AromaticContact CE2-CD2 3.87Å; Y191-Y228 HydrophobicContact CE2-CD2 3.87Å; Y191-Y228 AromaticContact CZ-CD2 3.98Å; Y191-Y228 CarbonylContact O-C 3.56Å; Y191-Y228 WeakPolarHBondContact O-CD2 3.27Å; Y191-V229 PolarHBondContact O-N 2.85Å; Y191-F320 HydrophobicContact CE1-CD2 4.41Å; Y191-F320 PolarHBondContact OH-O 3.35Å; Y191-G323 VanDerWaalsContact CE2-C 3.42Å; Y191-G323 VanDerWaalsContact OH-CA 3.26Å; Y191-G323 WeakPolarHBondContact OH-CA 3.34Å; Y191-M324 HydrophobicContact CD2-CE 4.19Å; Y191-M324 HydrophobicContact CE2-CB 4.3Å; Y191-M324 HydrophobicContact CE2-CE 4.23Å; Y191-M324 PolarHBondContact OH-N 3.25Å; Y191-T327 HydrophobicContact CD2-CG2 4.48Å; Y191-T327 WeakPolarHBondContact CD2-OG1 3.26Å
192G98.2Very high94.2Very high0 Ų016.6 Ų16.60%08%0.084CC..SBendtrans146.5-167.9-177.800000114.8H195 T327G192-H195 WeakPolarHBondContact O-CB 3.5Å; G192-T327 WeakPolarHBondContact CA-OG1 3.47Å
193P96.6Very high93.8Very high8 Ų818.5 Ų18.55%0.0529%0.094CC..THydrogen-bonded Turntrans-48.4145.3173-32.739.7000114.2F12 H195 Y228 W330F12-P193 WeakPolarHBondContact CD2-O 3.49Å; F12-P193 WeakPolarHBondContact CE2-O 3.45Å; P193-H195 PolarHBondContact O-N 2.85Å; P193-Y228 WeakPolarHBondContact CD-OH 3.49Å; P193-W330 HydrophobicContact CB-CD2 3.68Å; P193-W330 HydrophobicContact CB-CE3 4.34Å; P193-W330 HydrophobicContact CB-CG 3.71Å; P193-W330 HydrophobicContact CB-CZ2 4.32Å; P193-W330 HydrophobicContact CG-CB 4.07Å; P193-W330 HydrophobicContact CG-CD2 4.2Å; P193-W330 HydrophobicContact CG-CG 3.7Å
194Y94.2Very high93.6Very high25 Ų2518.5 Ų18.510%0.0989%0.094CC..THydrogen-bonded Turntrans6611.8177.1-50.4-88.5000116.3R19 F196 W330 W337R19-Y194 VanDerWaalsContact NH1-CD2 3.26Å; Y194-F196 PolarHBondContact O-N 2.99Å; Y194-W330 AromaticContact CD1-CH2 3.9Å; Y194-W330 HydrophobicContact CD1-CH2 3.9Å; Y194-W330 AromaticContact CD1-CZ2 3.67Å; Y194-W330 HydrophobicContact CD1-CZ2 3.67Å; Y194-W330 HydrophobicContact CD2-CH2 4.46Å; Y194-W330 AromaticContact CD2-CZ2 3.86Å; Y194-W330 HydrophobicContact CD2-CZ2 3.86Å; Y194-W330 HydrophobicContact CE1-CH2 4.2Å; Y194-W330 AromaticContact CE1-CZ2 3.57Å; Y194-W330 HydrophobicContact CE1-CZ2 3.57Å; Y194-W330 AromaticContact CE2-CZ2 3.76Å; Y194-W330 HydrophobicContact CE2-CZ2 3.76Å; Y194-W330 AromaticContact CE2-NE1 3.97Å; Y194-W330 HydrophobicContact CG-CH2 4.04Å; Y194-W330 AromaticContact CG-CZ2 3.82Å; Y194-W330 HydrophobicContact CG-CZ2 3.82Å; Y194-W330 AromaticContact CZ-CZ2 3.62Å; Y194-W330 VanDerWaalsContact N-CH2 3.3Å; Y194-W337 VanDerWaalsContact C-CH2 3.4Å; Y194-W337 AromaticContact CD1-CD1 3.95Å; Y194-W337 HydrophobicContact CD1-CD2 4.43Å; Y194-W337 AromaticContact CD1-CE2 3.71Å; Y194-W337 HydrophobicContact CD1-CZ2 4.05Å; Y194-W337 AromaticContact CD1-NE1 3.38Å; Y194-W337 AromaticContact CE1-NE1 3.87Å; Y194-W337 HydrophobicContact CG-CZ2 4.47Å; Y194-W337 VanDerWaalsContact O-CH2 3.3Å; Y194-W337 WeakPolarHBondContact O-CH2 3.42Å
195H93.3Very high93.5Very high20 Ų2018.3 Ų18.39%0.0939%0.093CC..  trans-70.6131.1175.7-156.1170.4000110.6F12 N190 G192 P193 K199 P202 Y331F12-H195 HydrophobicContact CD1-CB 4.25Å; F12-H195 AromaticContact CD1-CD2 3.28Å; F12-H195 WeakPolarHBondContact CD1-CD2 3.16Å; F12-H195 AromaticContact CD1-CE1 3.96Å; F12-H195 AromaticContact CD1-CG 3.67Å; F12-H195 AromaticContact CD1-NE2 3.5Å; F12-H195 WeakPolarHBondContact CD1-NE2 3.18Å; F12-H195 VanDerWaalsContact CD2-CA 3.48Å; F12-H195 HydrophobicContact CD2-CB 3.83Å; F12-H195 HydrophobicContact CE1-CB 4.06Å; F12-H195 AromaticContact CE1-CD2 3.51Å; F12-H195 AromaticContact CE1-CE1 3.49Å; F12-H195 VanDerWaalsContact CE1-CE1 3.49Å; F12-H195 WeakPolarHBondContact CE1-CE1 3.5Å; F12-H195 AromaticContact CE1-CG 3.46Å; F12-H195 VanDerWaalsContact CE1-CG 3.46Å; F12-H195 AromaticContact CE1-ND1 3.47Å; F12-H195 WeakPolarHBondContact CE1-ND1 3.39Å; F12-H195 AromaticContact CE1-NE2 3.53Å; F12-H195 HydrophobicContact CE2-CB 3.62Å; F12-H195 AromaticContact CE2-CG 3.98Å; F12-H195 HydrophobicContact CG-CB 4.14Å; F12-H195 AromaticContact CG-CD2 3.74Å; F12-H195 HydrophobicContact CZ-CB 3.75Å; F12-H195 AromaticContact CZ-CG 3.64Å; F12-H195 AromaticContact CZ-ND1 3.69Å; N190-H195 PolarHBondContact O-CE1 3.4Å; G192-H195 WeakPolarHBondContact O-CB 3.5Å; P193-H195 PolarHBondContact O-N 2.85Å; H195-K199 VanDerWaalsContact NE2-CG 3.35Å; H195-K199 WeakPolarHBondContact NE2-CG 3.16Å; H195-P202 HydrophobicContact CB-CB 4.42Å; H195-P202 HydrophobicContact CB-CG 4.05Å; H195-Y331 WeakPolarHBondContact CA-OH 3.44Å; H195-Y331 WeakPolarHBondContact CB-OH 3.23Å; H195-Y331 PolarHBondContact N-OH 2.68Å; H195-Y331 PolarHBondContact O-OH 2.74Å
196F81Confident93.2Very high45 Ų4519.4 Ų19.420%0.19710%0.098CC..  trans-68.6135.7-177-170.8-124000111.4Y37 Y194 E198 K199 P202 R441Y37-F196 HydrophobicContact CD2-CD1 4.38Å; Y37-F196 AromaticContact CD2-CE1 3.99Å; Y37-F196 HydrophobicContact CD2-CE1 3.99Å; Y37-F196 HydrophobicContact CE2-CE1 4.47Å; Y194-F196 PolarHBondContact O-N 2.99Å; F196-E198 HydrophobicContact CD1-CB 4.14Å; F196-E198 VanDerWaalsContact CD1-CD 3.42Å; F196-E198 HydrophobicContact CD1-CG 3.58Å; F196-E198 HydrophobicContact CE1-CB 4.32Å; F196-E198 HydrophobicContact CE1-CG 4.14Å; F196-E198 PolarHBondContact O-N 2.81Å; F196-K199 PolarHBondContact O-N 2.94Å; F196-P202 VanDerWaalsContact O-CG 3.26Å; F196-P202 WeakPolarHBondContact O-CG 3.28Å; F196-R441 HydrophobicContact CE2-CG 4.26Å; F196-R441 VanDerWaalsContact CE2-NE 3.26Å
197P83Confident92.9Very high41 Ų4120.7 Ų20.727%0.26611%0.105SC..THydrogen-bonded Turntrans-69.739.1-175.2-21.835.4000117.7L206P197-L206 HydrophobicContact CB-CD1 3.68Å; P197-L206 HydrophobicContact CG-CD1 3.5Å
198E78.6Confident92.7Very high42 Ų4220.3 Ų20.320%0.19610%0.102CC..THydrogen-bonded Turntrans-113-17.6169.867.3-175.7-176.300112.2Y37 H86 R89 F196Y37-E198 WeakPolarHBondContact CE2-OE1 3.16Å; H86-E198 VanDerWaalsContact CD2-CG 3.48Å; H86-E198 WeakPolarHBondContact CD2-CG 3.26Å; H86-E198 IonicContact CD2-OE1 3.37Å; H86-E198 PolarHBondContact CD2-OE1 2.94Å; H86-E198 IonicContact CD2-OE2 2.67Å; H86-E198 IonicContact CG-OE1 2.73Å; R89-E198 IonicContact CZ-OE2 2.79Å; R89-E198 IonicContact NE-OE2 3.26Å; R89-E198 PolarHBondContact NE-OE2 2.95Å; R89-E198 IonicContact NH2-OE2 3.69Å; R89-E198 PolarHBondContact NH2-OE2 2.88Å; F196-E198 HydrophobicContact CD1-CB 4.14Å; F196-E198 VanDerWaalsContact CD1-CD 3.42Å; F196-E198 HydrophobicContact CD1-CG 3.58Å; F196-E198 HydrophobicContact CE1-CB 4.32Å; F196-E198 HydrophobicContact CE1-CG 4.14Å; F196-E198 PolarHBondContact O-N 2.81Å
199K86.3Confident92.5Very high55 Ų5522 Ų2224%0.23911%0.111CC..SBendtrans-88.1157.3179.7-58.4-71-169161.60110.2S85 H195 F196 I201 P202 L203S85-K199 PolarHBondContact O-NZ 3.44Å; H195-K199 VanDerWaalsContact NE2-CG 3.35Å; H195-K199 WeakPolarHBondContact NE2-CG 3.16Å; F196-K199 PolarHBondContact O-N 2.94Å; K199-I201 PolarHBondContact O-N 3.32Å; K199-P202 HydrophobicContact CB-CG 4.13Å; K199-P202 WeakPolarHBondContact O-CD 3.29Å; K199-P202 VanDerWaalsContact O-CG 3.29Å; K199-P202 WeakPolarHBondContact O-CG 3.26Å; K199-L203 WeakPolarHBondContact O-CB 3.43Å; K199-L203 PolarHBondContact O-N 2.92Å
200L92.8Very high92.1Very high39 Ų3922.9 Ų22.920%0.20412%0.124CC..Hα-helixtrans-44-65-171.2-179.369.6000113.4L203 M204 W226 N259 V262 V263L200-L203 PolarHBondContact O-N 2.88Å; L200-M204 HydrophobicContact CD1-CE 3.52Å; L200-M204 HydrophobicContact CD1-CG 4.11Å; L200-M204 VanDerWaalsContact O-CG 3.26Å; L200-M204 WeakPolarHBondContact O-CG 3.37Å; L200-M204 PolarHBondContact O-N 3.33Å; L200-W226 HydrophobicContact CB-CH2 4.46Å; L200-W226 HydrophobicContact CD2-CH2 4.01Å; L200-W226 HydrophobicContact CD2-CZ2 3.91Å; L200-N259 HydrophobicContact CD2-CB 4.22Å; L200-V262 HydrophobicContact CD2-CB 4.47Å; L200-V262 HydrophobicContact CD2-CG1 4.27Å; L200-V263 HydrophobicContact CD1-CG2 4.16Å
201I96.8Very high91.8Very high2 Ų223.6 Ų23.61%0.0113%0.134CC..Hα-helixtrans-58.3-56.3-173.1-67.7165.1000113Y191 K199 L203 M204 I205 W226 V262 I266 M324 T327Y191-I201 HydrophobicContact CD2-CD1 4.01Å; Y191-I201 HydrophobicContact CG-CD1 3.71Å; K199-I201 PolarHBondContact O-N 3.32Å; I201-L203 VanDerWaalsContact C-N 3.31Å; I201-L203 PolarHBondContact O-N 3.46Å; I201-M204 PolarHBondContact O-N 3.36Å; I201-I205 HydrophobicContact CG2-CD1 3.84Å; I201-I205 WeakPolarHBondContact O-CG1 3.46Å; I201-I205 PolarHBondContact O-N 2.75Å; I201-W226 HydrophobicContact CD1-CD2 4.18Å; I201-W226 HydrophobicContact CD1-CE3 3.52Å; I201-W226 HydrophobicContact CD1-CH2 3.88Å; I201-W226 HydrophobicContact CD1-CZ2 4.49Å; I201-W226 HydrophobicContact CD1-CZ3 3.36Å; I201-W226 HydrophobicContact CG1-CH2 4.24Å; I201-W226 HydrophobicContact CG1-CZ3 4.15Å; I201-V262 HydrophobicContact CD1-CG1 4.22Å; I201-V262 HydrophobicContact CG1-CG1 3.76Å; I201-I266 HydrophobicContact CB-CD1 4.29Å; I201-I266 HydrophobicContact CG1-CD1 4.18Å; I201-I266 HydrophobicContact CG2-CD1 4.09Å; I201-M324 HydrophobicContact CD1-CE 3.58Å; I201-M324 HydrophobicContact CG1-CE 3.94Å; I201-M324 HydrophobicContact CG2-CE 4.29Å; I201-M324 HydrophobicContact CG2-SD 3.93Å; I201-T327 HydrophobicContact CG2-CG2 4.01Å
202P93.9Very high91.4Very high0 Ų029.4 Ų29.40%016%0.16CC..Hα-helixtrans-65.6-34-179.927.5-37000112.8H195 F196 K199 L206 Y331H195-P202 HydrophobicContact CB-CB 4.42Å; H195-P202 HydrophobicContact CB-CG 4.05Å; F196-P202 VanDerWaalsContact O-CG 3.26Å; F196-P202 WeakPolarHBondContact O-CG 3.28Å; K199-P202 HydrophobicContact CB-CG 4.13Å; K199-P202 WeakPolarHBondContact O-CD 3.29Å; K199-P202 VanDerWaalsContact O-CG 3.29Å; K199-P202 WeakPolarHBondContact O-CG 3.26Å; P202-L206 WeakPolarHBondContact O-CB 3.32Å; P202-L206 VanDerWaalsContact O-CG 3.3Å; P202-L206 WeakPolarHBondContact O-CG 3.43Å; P202-L206 PolarHBondContact O-N 3.14Å; P202-Y331 HydrophobicContact CB-CE1 4.08Å; P202-Y331 HydrophobicContact CB-CE2 4.23Å; P202-Y331 VanDerWaalsContact CB-OH 3.31Å; P202-Y331 WeakPolarHBondContact CB-OH 3.39Å
203L91Very high91.1Very high43 Ų4332.6 Ų32.623%0.22518%0.182CC..Hα-helixtrans-61.5-46.5174.618064.6000111.2K199 L200 I201 L206 N207 P215K199-L203 WeakPolarHBondContact O-CB 3.43Å; K199-L203 PolarHBondContact O-N 2.92Å; L200-L203 PolarHBondContact O-N 2.88Å; I201-L203 VanDerWaalsContact C-N 3.31Å; I201-L203 PolarHBondContact O-N 3.46Å; L203-L206 PolarHBondContact O-N 2.89Å; L203-N207 VanDerWaalsContact O-CB 3.27Å; L203-N207 WeakPolarHBondContact O-CB 3.31Å; L203-N207 PolarHBondContact O-N 2.76Å; L203-P215 HydrophobicContact CD2-CG 4.09Å
204M95.4Very high91Very high1 Ų132.2 Ų32.21%0.00518%0.179CC..Hα-helixtrans-64.5-44.7-179.8-65.4-44.1147.500112.1L200 I201 L206 A208 L214 P215 V263 I266L200-M204 HydrophobicContact CD1-CE 3.52Å; L200-M204 HydrophobicContact CD1-CG 4.11Å; L200-M204 VanDerWaalsContact O-CG 3.26Å; L200-M204 WeakPolarHBondContact O-CG 3.37Å; L200-M204 PolarHBondContact O-N 3.33Å; I201-M204 PolarHBondContact O-N 3.36Å; M204-L206 PolarHBondContact O-N 3.06Å; M204-A208 WeakPolarHBondContact O-CB 3.25Å; M204-A208 PolarHBondContact O-N 3.49Å; M204-L214 WeakPolarHBondContact O-CD2 3.42Å; M204-L214 HydrophobicContact SD-CB 3.55Å; M204-L214 VanDerWaalsContact SD-CB 3.55Å; M204-L214 HydrophobicContact SD-CD2 4.05Å; M204-L214 HydrophobicContact SD-CG 4.31Å; M204-P215 HydrophobicContact CE-CG 4.09Å; M204-P215 WeakPolarHBondContact CE-O 3.34Å; M204-V263 HydrophobicContact CG-CG1 4.23Å; M204-V263 HydrophobicContact CG-CG2 3.82Å; M204-V263 HydrophobicContact SD-CG1 4.41Å; M204-V263 HydrophobicContact SD-CG2 4.35Å; M204-I266 HydrophobicContact CB-CD1 3.99Å; M204-I266 HydrophobicContact CB-CG2 4.48Å
205I96.1Very high90.8Very high0 Ų032.4 Ų32.40%018%0.184CC..Hα-helixtrans-58.5-50.1177.5-64.8165.9000110.3I201 A208 L209 I266 T327 V328 Y331I201-I205 HydrophobicContact CG2-CD1 3.84Å; I201-I205 WeakPolarHBondContact O-CG1 3.46Å; I201-I205 PolarHBondContact O-N 2.75Å; I205-A208 PolarHBondContact O-N 2.86Å; I205-L209 HydrophobicContact CG2-CD1 3.99Å; I205-L209 VanDerWaalsContact O-CG 3.27Å; I205-L209 WeakPolarHBondContact O-CG 3.3Å; I205-L209 PolarHBondContact O-N 3.25Å; I205-I266 HydrophobicContact CG1-CD1 4.39Å; I205-I266 HydrophobicContact CG1-CG1 4.47Å; I205-I266 HydrophobicContact CG1-CG2 3.67Å; I205-T327 HydrophobicContact CD1-CG2 4.1Å; I205-V328 HydrophobicContact CD1-CG2 3.97Å; I205-V328 HydrophobicContact CG1-CG2 4.23Å; I205-Y331 HydrophobicContact CD1-CD2 3.75Å; I205-Y331 HydrophobicContact CD1-CE2 4.26Å; I205-Y331 HydrophobicContact CD1-CG 4.41Å; I205-Y331 HydrophobicContact CG2-CG 4.15Å
206L92.7Very high90.8Very high22 Ų2231.6 Ų31.612%0.11518%0.18CC..Hα-helixtrans-73.7-35.6-174.8-62.8-165000113.2P197 P202 L203 M204 L209 A210 Y331 W338P197-L206 HydrophobicContact CB-CD1 3.68Å; P197-L206 HydrophobicContact CG-CD1 3.5Å; P202-L206 WeakPolarHBondContact O-CB 3.32Å; P202-L206 VanDerWaalsContact O-CG 3.3Å; P202-L206 WeakPolarHBondContact O-CG 3.43Å; P202-L206 PolarHBondContact O-N 3.14Å; L203-L206 PolarHBondContact O-N 2.89Å; M204-L206 PolarHBondContact O-N 3.06Å; L206-L209 HydrophobicContact CD2-CD1 4.47Å; L206-A210 VanDerWaalsContact O-CB 3.29Å; L206-A210 WeakPolarHBondContact O-CB 3.48Å; L206-A210 PolarHBondContact O-N 2.86Å; L206-Y331 HydrophobicContact CD2-CD1 3.8Å; L206-Y331 HydrophobicContact CG-CD1 4.34Å; L206-W338 HydrophobicContact CD1-CB 3.92Å; L206-W338 HydrophobicContact CD1-CD2 4.1Å; L206-W338 HydrophobicContact CD1-CE3 3.8Å; L206-W338 HydrophobicContact CD1-CG 4.17Å; L206-W338 HydrophobicContact CD2-CD2 3.43Å; L206-W338 VanDerWaalsContact CD2-CD2 3.43Å; L206-W338 HydrophobicContact CD2-CE3 3.37Å; L206-W338 HydrophobicContact CD2-CG 3.96Å; L206-W338 HydrophobicContact CD2-CH2 3.98Å; L206-W338 HydrophobicContact CD2-CZ2 4.09Å; L206-W338 HydrophobicContact CD2-CZ3 3.62Å; L206-W338 HydrophobicContact CG-CD2 4.43Å; L206-W338 HydrophobicContact CG-CE3 4.17Å
207N91.5Very high91.2Very high27 Ų2733.3 Ų33.314%0.14419%0.186CC..Hα-helixtrans-66.5-42.5174.2-82.64.6000111.2L203 A210 G211 K212 S213 L214L203-N207 VanDerWaalsContact O-CB 3.27Å; L203-N207 WeakPolarHBondContact O-CB 3.31Å; L203-N207 PolarHBondContact O-N 2.76Å; N207-A210 CarbonylContact O-C 3.3Å; N207-A210 PolarHBondContact O-N 3.15Å; N207-A210 VanDerWaalsContact O-N 3.09Å; N207-G211 PolarHBondContact O-N 3.25Å; N207-K212 HydrophobicContact CB-CB 3.97Å; N207-K212 PolarHBondContact O-N 2.67Å; N207-S213 PolarHBondContact ND2-O 3.12Å; N207-L214 HydrophobicContact CB-CD2 3.65Å
208A95.3Very high91.6Very high0 Ų032.6 Ų32.60%019%0.186CC..Hα-helixtrans-58.6-51.1176.400000110.7M204 I205 A210 G211 L214 L270 Y284M204-A208 WeakPolarHBondContact O-CB 3.25Å; M204-A208 PolarHBondContact O-N 3.49Å; I205-A208 PolarHBondContact O-N 2.86Å; A208-A210 PolarHBondContact O-N 3.36Å; A208-A210 VanDerWaalsContact O-N 3.16Å; A208-G211 PolarHBondContact O-N 2.76Å; A208-L214 HydrophobicContact CB-CD1 4.47Å; A208-L214 HydrophobicContact CB-CD2 3.99Å; A208-L270 HydrophobicContact CB-CD1 3.42Å; A208-L270 VanDerWaalsContact CB-CD1 3.42Å; A208-Y284 HydrophobicContact CB-CD1 3.68Å; A208-Y284 HydrophobicContact CB-CE1 4.13Å; A208-Y284 HydrophobicContact CB-CG 4.44Å; A208-Y284 VanDerWaalsContact O-CE1 3.29Å; A208-Y284 WeakPolarHBondContact O-CE1 3.13Å
209L92.4Very high92.2Very high39 Ų3935.2 Ų35.220%0.20420%0.201CC..Hα-helixtrans-60.9-24.2176.3-69.1173.7000113.9I205 L206 L270 A274 P278 L332 W338I205-L209 HydrophobicContact CG2-CD1 3.99Å; I205-L209 VanDerWaalsContact O-CG 3.27Å; I205-L209 WeakPolarHBondContact O-CG 3.3Å; I205-L209 PolarHBondContact O-N 3.25Å; L206-L209 HydrophobicContact CD2-CD1 4.47Å; L209-L270 HydrophobicContact CD2-CD2 3.99Å; L209-L270 HydrophobicContact CG-CD2 4.29Å; L209-A274 HydrophobicContact CD2-CB 3.99Å; L209-P278 WeakPolarHBondContact O-CG 3.42Å; L209-L332 HydrophobicContact CD1-CD2 3.8Å; L209-L332 HydrophobicContact CD2-CD2 3.75Å; L209-L332 HydrophobicContact CG-CD2 4.4Å; L209-W338 HydrophobicContact CD1-CH2 4.16Å; L209-W338 HydrophobicContact CD1-CZ2 4.28Å
210A88.5Confident92.4Very high56 Ų5632.6 Ų32.646%0.46319%0.19SC..THydrogen-bonded Turntrans-93.1-1.3175.800000114L206 N207 A208 K212L206-A210 VanDerWaalsContact O-CB 3.29Å; L206-A210 WeakPolarHBondContact O-CB 3.48Å; L206-A210 PolarHBondContact O-N 2.86Å; N207-A210 CarbonylContact O-C 3.3Å; N207-A210 PolarHBondContact O-N 3.15Å; N207-A210 VanDerWaalsContact O-N 3.09Å; A208-A210 PolarHBondContact O-N 3.36Å; A208-A210 VanDerWaalsContact O-N 3.16Å; A210-K212 VanDerWaalsContact C-N 3.27Å; A210-K212 HydrophobicContact CB-CD 4.09Å; A210-K212 HydrophobicContact CB-CG 4Å; A210-K212 PolarHBondContact O-N 3.11Å
211G91.8Very high92.4Very high29 Ų2934.4 Ų34.430%0.29920%0.197SC..THydrogen-bonded Turntrans67.326.2-176.500000113.5N207 A208N207-G211 PolarHBondContact O-N 3.25Å; A208-G211 PolarHBondContact O-N 2.76Å
212K90.3Very high92.2Very high124 Ų12434.5 Ų34.554%0.53920%0.197SC..  trans-95.5161.6179.4-64.4179.4-179178.80110.6N207 A210N207-K212 HydrophobicContact CB-CB 3.97Å; N207-K212 PolarHBondContact O-N 2.67Å; A210-K212 VanDerWaalsContact C-N 3.27Å; A210-K212 HydrophobicContact CB-CD 4.09Å; A210-K212 HydrophobicContact CB-CG 4Å; A210-K212 PolarHBondContact O-N 3.11Å
213S91.2Very high92.3Very high66 Ų6636.4 Ų36.446%0.46221%0.207SC..  trans-57.8146.8172.953.20000112.1N207 P215 L287 T289N207-S213 PolarHBondContact ND2-O 3.12Å; S213-P215 VanDerWaalsContact O-CD 3.24Å; S213-P215 WeakPolarHBondContact O-CD 3.33Å; S213-L287 CarbonylContact C-O 3.44Å; S213-L287 WeakPolarHBondContact CA-O 3.25Å; S213-T289 WeakPolarHBondContact CB-OG1 3.42Å
214L95.6Very high92.5Very high0 Ų035 Ų350%020%0.199CC..EExtended strand (participates in β ladder)trans-104.193.5176.1-53.5-177.8000108.1M204 N207 A208 V216 V263 L287 I288 T289M204-L214 WeakPolarHBondContact O-CD2 3.42Å; M204-L214 HydrophobicContact SD-CB 3.55Å; M204-L214 VanDerWaalsContact SD-CB 3.55Å; M204-L214 HydrophobicContact SD-CD2 4.05Å; M204-L214 HydrophobicContact SD-CG 4.31Å; N207-L214 HydrophobicContact CB-CD2 3.65Å; A208-L214 HydrophobicContact CB-CD1 4.47Å; A208-L214 HydrophobicContact CB-CD2 3.99Å; L214-V216 PolarHBondContact O-N 2.92Å; L214-V263 HydrophobicContact CB-CG1 4.33Å; L214-V263 HydrophobicContact CD1-CG1 4.04Å; L214-L287 HydrophobicContact CD1-CB 4.01Å; L214-L287 HydrophobicContact CG-CB 3.72Å; L214-L287 PolarHBondContact N-O 2.86Å; L214-I288 HydrophobicContact CB-CG1 4.42Å; L214-I288 HydrophobicContact CD1-CG1 4.13Å; L214-T289 PolarHBondContact O-N 2.96Å
215P89.6Confident92.5Very high30 Ų3035 Ų3520%0.19520%0.199CC..EExtended strand (participates in β ladder)trans-74.4110.3-171.628.7-34.7000111.9L203 M204 S213 T289 V291L203-P215 HydrophobicContact CD2-CG 4.09Å; M204-P215 HydrophobicContact CE-CG 4.09Å; M204-P215 WeakPolarHBondContact CE-O 3.34Å; S213-P215 VanDerWaalsContact O-CD 3.24Å; S213-P215 WeakPolarHBondContact O-CD 3.33Å; P215-T289 CarbonylContact C-O 3.57Å; P215-T289 WeakPolarHBondContact CA-O 3.47Å; P215-V291 HydrophobicContact CB-CG1 3.91Å; P215-V291 HydrophobicContact CB-CG2 4.02Å
216V93.3Very high92.6Very high2 Ų235.6 Ų35.61%0.01220%0.201CC..EExtended strand (participates in β ladder)trans-99.5121.3174.4178.50000109.4L214 V263 I288 T289 F290 V291L214-V216 PolarHBondContact O-N 2.92Å; V216-V263 HydrophobicContact CG2-CG2 4.02Å; V216-I288 HydrophobicContact CG2-CG2 4Å; V216-T289 PolarHBondContact N-O 3.17Å; V216-F290 HydrophobicContact CB-CD1 4.05Å; V216-F290 HydrophobicContact CB-CE1 4.27Å; V216-F290 HydrophobicContact CG1-CD1 4.04Å; V216-F290 HydrophobicContact CG1-CE1 4Å; V216-F290 WeakPolarHBondContact O-CA 3.42Å; V216-V291 WeakPolarHBondContact O-CG2 3.46Å; V216-V291 PolarHBondContact O-N 3.34Å
217Y89Confident92.9Very high81 Ų8134.6 Ų34.632%0.31820%0.196SC..EExtended strand (participates in β ladder)trans-69129.3-179.9-68.1-54000112.3N219 G220 V291 A292Y217-N219 PolarHBondContact O-N 3.26Å; Y217-G220 PolarHBondContact O-N 2.91Å; Y217-V291 HydrophobicContact CD1-CG2 3.54Å; Y217-V291 HydrophobicContact CE1-CG2 3.92Å; Y217-V291 HydrophobicContact CG-CG2 4.42Å; Y217-A292 WeakPolarHBondContact CD1-O 3.39Å
218G91.8Very high93.2Very high26 Ų2634.1 Ų34.127%0.26819%0.192SC..THydrogen-bonded Turntrans62-121.5-179.600000111.4F290 V291G218-F290 VanDerWaalsContact O-CD1 3.25Å; G218-F290 WeakPolarHBondContact O-CD1 3.2Å; G218-V291 PolarHBondContact N-O 3.04Å
219N90.9Very high93.4Very high98 Ų9834.1 Ų34.152%0.52419%0.192SC..THydrogen-bonded Turntrans-105.57.2175.362.98.8000113Y217 Q221Y217-N219 PolarHBondContact O-N 3.26Å; N219-Q221 HydrophobicContact CB-CG 4.26Å; N219-Q221 VanDerWaalsContact CG-CG 3.45Å; N219-Q221 PolarHBondContact O-N 3.34Å; N219-Q221 VanDerWaalsContact OD1-CB 3.27Å; N219-Q221 WeakPolarHBondContact OD1-CB 3.45Å; N219-Q221 VanDerWaalsContact OD1-CG 3.3Å; N219-Q221 WeakPolarHBondContact OD1-CG 3.38Å; N219-Q221 PolarHBondContact OD1-N 3.47Å; N219-Q221 VanDerWaalsContact OD1-N 3.07Å
220G90.3Very high93.7Very high0 Ų034.1 Ų34.10%019%0.191CC..SBendtrans65.613.8-179.600000115.4Y217 Q222 N259 L260Y217-G220 PolarHBondContact O-N 2.91Å; G220-Q222 VanDerWaalsContact C-N 3.3Å; G220-N259 PolarHBondContact O-N 3.11Å; G220-L260 PolarHBondContact O-N 3.13Å
221Q93.5Very high94.2Very high77 Ų7731.5 Ų31.536%0.3617%0.169SC..  trans-83.1-3.5-177.8-61.9-61.8-62.500113.6N219 K258N219-Q221 HydrophobicContact CB-CG 4.26Å; N219-Q221 VanDerWaalsContact CG-CG 3.45Å; N219-Q221 PolarHBondContact O-N 3.34Å; N219-Q221 VanDerWaalsContact OD1-CB 3.27Å; N219-Q221 WeakPolarHBondContact OD1-CB 3.45Å; N219-Q221 VanDerWaalsContact OD1-CG 3.3Å; N219-Q221 WeakPolarHBondContact OD1-CG 3.38Å; N219-Q221 PolarHBondContact OD1-N 3.47Å; N219-Q221 VanDerWaalsContact OD1-N 3.07Å; Q221-K258 VanDerWaalsContact OE1-CE 3.3Å
222Q92.6Very high94.5Very high3 Ų330.1 Ų30.11%0.01416%0.155CC..  trans-65.1136.4175.8-50.682.3-3.200109.6G220 K258 N259 D293 L299G220-Q222 VanDerWaalsContact C-N 3.3Å; Q222-K258 CarbonylContact O-C 3.59Å; Q222-K258 WeakPolarHBondContact O-CA 3.36Å; Q222-N259 PolarHBondContact O-N 2.56Å; Q222-N259 PolarHBondContact OE1-ND2 2.88Å; Q222-D293 PolarHBondContact NE2-OD1 3.33Å; Q222-D293 PolarHBondContact NE2-OD2 3.44Å; Q222-D293 VanDerWaalsContact NE2-OD2 3.07Å; Q222-L299 CarbonylContact C-O 3.26Å; Q222-L299 VanDerWaalsContact CA-O 3.23Å; Q222-L299 WeakPolarHBondContact CA-O 3.31Å; Q222-L299 HydrophobicContact CG-CD2 4.48Å
223I95Very high94.9Very high40 Ų4024.2 Ų24.221%0.20513%0.129CC..EExtended strand (participates in β ladder)trans-104.1135.8-174.7-64.3168.4000109.4E256 R257 K258 L299 R300 Y301I223-E256 HydrophobicContact CG2-CB 3.85Å; I223-E256 HydrophobicContact CG2-CG 4.34Å; I223-R257 WeakPolarHBondContact CA-O 3.35Å; I223-K258 HydrophobicContact CG1-CG 3.93Å; I223-L299 PolarHBondContact N-O 2.97Å; I223-R300 HydrophobicContact CB-CB 4.19Å; I223-R300 HydrophobicContact CB-CG 3.99Å; I223-R300 HydrophobicContact CG2-CG 4.06Å; I223-R300 WeakPolarHBondContact O-CA 3.34Å; I223-Y301 PolarHBondContact O-N 2.93Å; I223-Y301 VanDerWaalsContact O-N 3.12Å
224R95.7Very high95.2Very high15 Ų1522.9 Ų22.96%0.05711%0.114CC..EExtended strand (participates in β ladder)trans-131.2148.2172.3-61.2-61.6-179.8-1026.9109.6N189 W226 E256 R257 H297 D298 Y301N189-R224 HydrophobicContact CB-CB 4.43Å; N189-R224 WeakPolarHBondContact OD1-CB 3.47Å; N189-R224 VanDerWaalsContact OD1-CD 3.25Å; N189-R224 WeakPolarHBondContact OD1-CD 3.4Å; R224-W226 HydrophobicContact CB-CZ2 4.07Å; R224-W226 HydrophobicContact CG-CZ2 4.45Å; R224-W226 PolarHBondContact O-NE1 3.25Å; R224-E256 WeakPolarHBondContact O-CA 3.48Å; R224-R257 PolarHBondContact N-O 2.8Å; R224-R257 PolarHBondContact O-N 3.05Å; R224-H297 PolarHBondContact NH2-CD2 2.91Å; R224-H297 PolarHBondContact NH2-NE2 2.82Å; R224-D298 PolarHBondContact NH1-O 3.23Å; R224-D298 PolarHBondContact NH2-O 2.77Å; R224-Y301 VanDerWaalsContact CD-CD2 3.42Å
225D96.2Very high95.4Very high1 Ų122.9 Ų22.91%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-89.8120.4169.21804.4000109.8S188 N189 G253 H254 N255 Y301S188-D225 WeakPolarHBondContact CB-O 3.12Å; S188-D225 PolarHBondContact OG-O 3.14Å; N189-D225 PolarHBondContact N-O 3.35Å; N189-D225 VanDerWaalsContact N-O 3.07Å; D225-G253 PolarHBondContact OD1-N 3.34Å; D225-G253 PolarHBondContact OD2-N 2.97Å; D225-H254 PolarHBondContact OD1-N 2.81Å; D225-H254 VanDerWaalsContact OD1-N 3.13Å; D225-H254 PolarHBondContact OD2-N 2.87Å; D225-N255 PolarHBondContact OD1-N 2.8Å; D225-Y301 PolarHBondContact N-O 2.86Å
226W98Very high95.8Very high11 Ų1121.4 Ų21.44%0.04211%0.105CC..EExtended strand (participates in β ladder)trans-100.6118.3-173.1-64.195.9000113.1N189 Y191 L200 I201 R224 N255 V262 F320N189-W226 HydrophobicContact CB-CD2 4.36Å; N189-W226 HydrophobicContact CB-CE3 3.82Å; N189-W226 HydrophobicContact CB-CH2 4.45Å; N189-W226 HydrophobicContact CB-CZ3 3.87Å; N189-W226 WeakPolarHBondContact O-CA 3.42Å; Y191-W226 HydrophobicContact CD1-CB 4Å; Y191-W226 HydrophobicContact CD1-CE3 4.18Å; Y191-W226 HydrophobicContact CE1-CB 3.94Å; Y191-W226 HydrophobicContact CG-CE3 4.44Å; L200-W226 HydrophobicContact CB-CH2 4.46Å; L200-W226 HydrophobicContact CD2-CH2 4.01Å; L200-W226 HydrophobicContact CD2-CZ2 3.91Å; I201-W226 HydrophobicContact CD1-CD2 4.18Å; I201-W226 HydrophobicContact CD1-CE3 3.52Å; I201-W226 HydrophobicContact CD1-CH2 3.88Å; I201-W226 HydrophobicContact CD1-CZ2 4.49Å; I201-W226 HydrophobicContact CD1-CZ3 3.36Å; I201-W226 HydrophobicContact CG1-CH2 4.24Å; I201-W226 HydrophobicContact CG1-CZ3 4.15Å; R224-W226 HydrophobicContact CB-CZ2 4.07Å; R224-W226 HydrophobicContact CG-CZ2 4.45Å; R224-W226 PolarHBondContact O-NE1 3.25Å; W226-N255 HydrophobicContact CB-CB 4.4Å; W226-N255 PolarHBondContact N-O 2.78Å; W226-N255 WeakPolarHBondContact O-CB 3.4Å; W226-N255 PolarHBondContact O-ND2 2.76Å; W226-V262 HydrophobicContact CZ2-CG2 4.1Å; W226-F320 HydrophobicContact CB-CD2 3.67Å; W226-F320 HydrophobicContact CB-CE2 3.82Å; W226-F320 AromaticContact CD1-CE2 3.87Å; W226-F320 HydrophobicContact CD2-CE2 4.42Å; W226-F320 HydrophobicContact CG-CD2 4.08Å; W226-F320 AromaticContact CG-CE2 3.74Å; W226-F320 HydrophobicContact CG-CE2 3.74Å
227L98.5Very high96.1Very high1 Ų122.7 Ų22.71%0.00511%0.11CC..EExtended strand (participates in β ladder)trans-110.6128.4176.6-179.162.1000110.9N189 N190 Y191 D231 H232 I251 W314 P316N189-L227 PolarHBondContact O-N 3.15Å; N190-L227 VanDerWaalsContact CA-O 3.3Å; N190-L227 WeakPolarHBondContact CA-O 3.34Å; Y191-L227 VanDerWaalsContact CD1-O 3.25Å; Y191-L227 WeakPolarHBondContact CD1-O 3.43Å; Y191-L227 PolarHBondContact N-O 3.26Å; L227-D231 HydrophobicContact CD1-CB 3.77Å; L227-H232 HydrophobicContact CD2-CB 3.67Å; L227-H232 HydrophobicContact CG-CB 4.16Å; L227-I251 HydrophobicContact CD2-CG2 3.6Å; L227-W314 HydrophobicContact CD1-CH2 3.97Å; L227-W314 HydrophobicContact CD1-CZ2 4.24Å; L227-P316 HydrophobicContact CD1-CB 4.38Å
228Y98.6Very high96.5Very high18 Ų1820 Ų207%0.07110%0.103CC..EExtended strand (participates in β ladder)trans-68134.7175.9-171.1-116.4000110.4Y191 P193 E230 D231 H232 E318 K326Y191-Y228 HydrophobicContact CD2-CD2 4.33Å; Y191-Y228 AromaticContact CE2-CD2 3.87Å; Y191-Y228 HydrophobicContact CE2-CD2 3.87Å; Y191-Y228 AromaticContact CZ-CD2 3.98Å; Y191-Y228 CarbonylContact O-C 3.56Å; Y191-Y228 WeakPolarHBondContact O-CD2 3.27Å; P193-Y228 WeakPolarHBondContact CD-OH 3.49Å; Y228-E230 VanDerWaalsContact C-N 3.25Å; Y228-E230 HydrophobicContact CD1-CB 3.83Å; Y228-E230 HydrophobicContact CD1-CG 4.19Å; Y228-E230 HydrophobicContact CE1-CB 3.66Å; Y228-E230 HydrophobicContact CE1-CG 3.57Å; Y228-E230 PolarHBondContact O-N 2.94Å; Y228-E230 VanDerWaalsContact O-N 3.17Å; Y228-D231 WeakPolarHBondContact O-CA 3.29Å; Y228-D231 VanDerWaalsContact O-CB 3.29Å; Y228-D231 WeakPolarHBondContact O-CB 3.13Å; Y228-D231 PolarHBondContact O-N 3.29Å; Y228-H232 PolarHBondContact O-N 3.01Å; Y228-H232 VanDerWaalsContact O-N 3.09Å; Y228-E318 HydrophobicContact CD1-CB 4.37Å; Y228-E318 HydrophobicContact CD1-CG 3.52Å; Y228-E318 HydrophobicContact CE1-CG 4.15Å; Y228-E318 HydrophobicContact CG-CB 4.36Å; Y228-E318 HydrophobicContact CG-CG 3.97Å; Y228-K326 HydrophobicContact CE2-CB 4.43Å
229V98.6Very high96.9Very high0 Ų018.8 Ų18.80%09%0.09CC..Hα-helixtrans-60.9-32.8-169.470.10000113.4F12 I13 A16 Y191 D231 H232 A233F12-V229 HydrophobicContact CD2-CG2 4.18Å; F12-V229 HydrophobicContact CE1-CG2 4.26Å; F12-V229 HydrophobicContact CE2-CB 3.77Å; F12-V229 HydrophobicContact CE2-CG1 3.86Å; F12-V229 HydrophobicContact CE2-CG2 3.63Å; F12-V229 HydrophobicContact CZ-CB 3.62Å; F12-V229 HydrophobicContact CZ-CG1 4.14Å; F12-V229 HydrophobicContact CZ-CG2 3.67Å; I13-V229 HydrophobicContact CB-CG2 4.48Å; I13-V229 HydrophobicContact CG1-CG2 4.25Å; A16-V229 HydrophobicContact CB-CG1 4.34Å; A16-V229 HydrophobicContact CB-CG2 3.72Å; Y191-V229 PolarHBondContact O-N 2.85Å; V229-D231 VanDerWaalsContact C-N 3.34Å; V229-H232 PolarHBondContact O-N 3.42Å; V229-A233 PolarHBondContact O-N 2.96Å
230E98.5Very high97.2Very high39 Ų3914.5 Ų14.518%0.1827%0.068CC..Hα-helixtrans-73.3-28.5177.6-57.1-63.7163.700111.4R19 Y228 R234R19-E230 IonicContact NH2-OE1 2.79Å; R19-E230 PolarHBondContact NH2-OE1 3.4Å; R19-E230 VanDerWaalsContact NH2-OE1 3.14Å; Y228-E230 VanDerWaalsContact C-N 3.25Å; Y228-E230 HydrophobicContact CD1-CB 3.83Å; Y228-E230 HydrophobicContact CD1-CG 4.19Å; Y228-E230 HydrophobicContact CE1-CB 3.66Å; Y228-E230 HydrophobicContact CE1-CG 3.57Å; Y228-E230 PolarHBondContact O-N 2.94Å; Y228-E230 VanDerWaalsContact O-N 3.17Å; E230-R234 WeakPolarHBondContact O-CG 3.5Å; E230-R234 PolarHBondContact O-N 3.35Å; E230-R234 VanDerWaalsContact O-N 3.14Å; E230-R234 PolarHBondContact O-NH1 2.88Å
231D98.7Very high97.6Very high0 Ų016.5 Ų16.50%08%0.08CC..Hα-helixtrans-68.1-41.4170-88-48.9000111.5L227 Y228 V229 R234 A235 W314 P316 Q317 E318L227-D231 HydrophobicContact CD1-CB 3.77Å; Y228-D231 WeakPolarHBondContact O-CA 3.29Å; Y228-D231 VanDerWaalsContact O-CB 3.29Å; Y228-D231 WeakPolarHBondContact O-CB 3.13Å; Y228-D231 PolarHBondContact O-N 3.29Å; V229-D231 VanDerWaalsContact C-N 3.34Å; D231-R234 WeakPolarHBondContact O-CB 3.47Å; D231-R234 PolarHBondContact O-N 3.47Å; D231-R234 IonicContact OD1-CZ 3.94Å; D231-R234 VanDerWaalsContact OD1-CZ 3.3Å; D231-R234 IonicContact OD1-NE 3.99Å; D231-R234 PolarHBondContact OD1-NE 3.25Å; D231-R234 IonicContact OD1-NH2 3.24Å; D231-R234 PolarHBondContact OD1-NH2 3.15Å; D231-R234 IonicContact OD2-NH2 3.41Å; D231-R234 PolarHBondContact OD2-NH2 3.35Å; D231-A235 PolarHBondContact O-N 2.66Å; D231-W314 HydrophobicContact CB-CZ2 4.23Å; D231-W314 WeakPolarHBondContact O-CZ2 3.43Å; D231-W314 PolarHBondContact O-NE1 3.1Å; D231-P316 HydrophobicContact CB-CB 4.35Å; D231-P316 WeakPolarHBondContact OD1-CA 3.17Å; D231-Q317 VanDerWaalsContact CG-N 3.31Å; D231-Q317 PolarHBondContact OD1-N 3.46Å; D231-Q317 PolarHBondContact OD2-N 2.93Å; D231-E318 WeakPolarHBondContact OD2-CB 3.39Å; D231-E318 WeakPolarHBondContact OD2-CG 3.01Å; D231-E318 PolarHBondContact OD2-N 3.14Å
232H98.8Very high97.8Very high0 Ų016.8 Ų16.80%09%0.088CC..Hα-helixtrans-64-43.5174.5-169.9-161.6000111.4C187 N190 L227 Y228 V229 R234 A235 L236C187-H232 WeakPolarHBondContact CB-NE2 3.43Å; C187-H232 PolarHBondContact SG-CE1 3.12Å; N190-H232 PolarHBondContact ND2-ND1 3.24Å; N190-H232 WeakPolarHBondContact OD1-CB 3.42Å; N190-H232 VanDerWaalsContact OD1-CG 3.3Å; N190-H232 PolarHBondContact OD1-ND1 3.25Å; L227-H232 HydrophobicContact CD2-CB 3.67Å; L227-H232 HydrophobicContact CG-CB 4.16Å; Y228-H232 PolarHBondContact O-N 3.01Å; Y228-H232 VanDerWaalsContact O-N 3.09Å; V229-H232 PolarHBondContact O-N 3.42Å; H232-R234 VanDerWaalsContact C-N 3.31Å; H232-R234 PolarHBondContact O-N 3.1Å; H232-A235 WeakPolarHBondContact O-CB 3.28Å; H232-A235 PolarHBondContact O-N 3.5Å; H232-L236 WeakPolarHBondContact NE2-CD2 3.49Å; H232-L236 VanDerWaalsContact O-CG 3.28Å; H232-L236 WeakPolarHBondContact O-CG 3.3Å; H232-L236 PolarHBondContact O-N 3.23Å
233A98.7Very high98Very high0 Ų017 Ų170%09%0.09CC..Hα-helixtrans-55.9-44.4175.100000112.3A16 L17 V229 L236 Y237A16-A233 HydrophobicContact CB-CB 4.3Å; L17-A233 HydrophobicContact CB-CB 4.45Å; V229-A233 PolarHBondContact O-N 2.96Å; A233-L236 PolarHBondContact O-N 3.07Å; A233-Y237 PolarHBondContact O-N 2.94Å
234R98.6Very high98.2Very high38 Ų3821.2 Ų21.214%0.14311%0.107CC..Hα-helixtrans-59.7-45.2172.7-76.5-175.7-71.6-8814.3112.4Y20 E230 D231 H232 Y237 C238 Q317Y20-R234 HydrophobicContact CD2-CG 4.08Å; Y20-R234 HydrophobicContact CE2-CG 3.48Å; Y20-R234 VanDerWaalsContact CE2-CG 3.48Å; E230-R234 WeakPolarHBondContact O-CG 3.5Å; E230-R234 PolarHBondContact O-N 3.35Å; E230-R234 VanDerWaalsContact O-N 3.14Å; E230-R234 PolarHBondContact O-NH1 2.88Å; D231-R234 WeakPolarHBondContact O-CB 3.47Å; D231-R234 PolarHBondContact O-N 3.47Å; D231-R234 IonicContact OD1-CZ 3.94Å; D231-R234 VanDerWaalsContact OD1-CZ 3.3Å; D231-R234 IonicContact OD1-NE 3.99Å; D231-R234 PolarHBondContact OD1-NE 3.25Å; D231-R234 IonicContact OD1-NH2 3.24Å; D231-R234 PolarHBondContact OD1-NH2 3.15Å; D231-R234 IonicContact OD2-NH2 3.41Å; D231-R234 PolarHBondContact OD2-NH2 3.35Å; H232-R234 VanDerWaalsContact C-N 3.31Å; H232-R234 PolarHBondContact O-N 3.1Å; R234-Y237 PolarHBondContact O-N 3.37Å; R234-C238 VanDerWaalsContact O-CB 3.29Å; R234-C238 WeakPolarHBondContact O-CB 3.3Å; R234-C238 PolarHBondContact O-N 3.2Å; R234-Q317 VanDerWaalsContact CZ-OE1 3.31Å
235A98.7Very high98.3Very high0 Ų022.7 Ų22.70%012%0.118CC..Hα-helixtrans-61.1-45.6178.800000111.4D231 H232 C238 V239 I251 I308 W314D231-A235 PolarHBondContact O-N 2.66Å; H232-A235 WeakPolarHBondContact O-CB 3.28Å; H232-A235 PolarHBondContact O-N 3.5Å; A235-C238 WeakPolarHBondContact O-CB 3.27Å; A235-C238 PolarHBondContact O-N 2.78Å; A235-V239 WeakPolarHBondContact O-CG2 3.48Å; A235-V239 PolarHBondContact O-N 3.16Å; A235-I251 HydrophobicContact CB-CD1 3.77Å; A235-I251 HydrophobicContact CB-CG1 4.39Å; A235-I251 HydrophobicContact CB-CG2 3.64Å; A235-I308 HydrophobicContact CB-CD1 4.34Å; A235-W314 HydrophobicContact CB-CD2 3.87Å; A235-W314 HydrophobicContact CB-CG 4.19Å; A235-W314 HydrophobicContact CB-CH2 4.42Å; A235-W314 HydrophobicContact CB-CZ2 3.66Å
236L98.8Very high98.4Very high0 Ų024.5 Ų24.50%014%0.137CC..Hα-helixtrans-63-46.3-179.2-69.4179.8000111.4I13 L17 M79 L81 H130 I132 T185 H232 A233 C238 V239 A240 I251I13-L236 HydrophobicContact CG2-CD1 4Å; L17-L236 HydrophobicContact CD1-CB 4.13Å; L17-L236 HydrophobicContact CD2-CD1 4.29Å; M79-L236 HydrophobicContact CE-CB 3.72Å; M79-L236 WeakPolarHBondContact CE-O 3.31Å; L81-L236 HydrophobicContact CD2-CD1 4.13Å; H130-L236 PolarHBondContact CE1-O 2.61Å; I132-L236 HydrophobicContact CG1-CD1 4.09Å; I132-L236 HydrophobicContact CG1-CD2 3.54Å; I132-L236 HydrophobicContact CG1-CG 4.43Å; I132-L236 HydrophobicContact CG2-CD2 4.28Å; T185-L236 HydrophobicContact CG2-CD2 4.43Å; T185-L236 WeakPolarHBondContact OG1-CD2 3.39Å; H232-L236 WeakPolarHBondContact NE2-CD2 3.49Å; H232-L236 VanDerWaalsContact O-CG 3.28Å; H232-L236 WeakPolarHBondContact O-CG 3.3Å; H232-L236 PolarHBondContact O-N 3.23Å; A233-L236 PolarHBondContact O-N 3.07Å; L236-C238 VanDerWaalsContact C-N 3.35Å; L236-V239 PolarHBondContact O-N 3.33Å; L236-A240 WeakPolarHBondContact O-CB 3.5Å; L236-A240 PolarHBondContact O-N 3.2Å; L236-I251 HydrophobicContact CD2-CD1 4.21Å
237Y98.7Very high98.4Very high29 Ų2926.2 Ų26.211%0.11415%0.145CC..Hα-helixtrans-63.6-40.7175.2-175.5-101.8000111.9R2 I4 Y20 I21 T25 D27 A233 R234 V239 A240 T241R2-Y237 PolarHBondContact NH2-OH 3.44Å; I4-Y237 HydrophobicContact CD1-CD2 4.47Å; I4-Y237 HydrophobicContact CD1-CE2 4.1Å; Y20-Y237 HydrophobicContact CD1-CG 4.35Å; Y20-Y237 AromaticContact CE1-CD1 3.8Å; Y20-Y237 HydrophobicContact CE1-CD1 3.8Å; Y20-Y237 AromaticContact CE1-CG 3.78Å; Y20-Y237 HydrophobicContact CE1-CG 3.78Å; I21-Y237 HydrophobicContact CD1-CD2 4.13Å; I21-Y237 HydrophobicContact CG1-CD2 3.68Å; I21-Y237 HydrophobicContact CG1-CE2 4.1Å; T25-Y237 HydrophobicContact CG2-CD1 4.37Å; T25-Y237 HydrophobicContact CG2-CE1 3.74Å; T25-Y237 HydrophobicContact CG2-CE2 3.98Å; D27-Y237 WeakPolarHBondContact OD2-CE2 3.4Å; D27-Y237 PolarHBondContact OD2-OH 2.86Å; A233-Y237 PolarHBondContact O-N 2.94Å; R234-Y237 PolarHBondContact O-N 3.37Å; Y237-V239 PolarHBondContact O-N 3.44Å; Y237-A240 PolarHBondContact O-N 3.39Å; Y237-T241 HydrophobicContact CD1-CG2 4.3Å; Y237-T241 HydrophobicContact CD2-CG2 4.08Å; Y237-T241 HydrophobicContact CE1-CG2 3.99Å; Y237-T241 HydrophobicContact CE2-CG2 3.76Å; Y237-T241 HydrophobicContact CG-CG2 4.35Å; Y237-T241 WeakPolarHBondContact O-CB 3.33Å; Y237-T241 VanDerWaalsContact O-CG2 3.23Å; Y237-T241 WeakPolarHBondContact O-CG2 3.49Å; Y237-T241 PolarHBondContact O-N 2.85Å; Y237-T241 VanDerWaalsContact O-N 3.1Å; Y237-T241 PolarHBondContact O-OG1 2.8Å
238C98.5Very high98.5Very high25 Ų2526.9 Ų26.917%0.16915%0.149CC..Hα-helixtrans-58-48.9174.9-179.70000111.6R234 A235 L236 T241 T242R234-C238 VanDerWaalsContact O-CB 3.29Å; R234-C238 WeakPolarHBondContact O-CB 3.3Å; R234-C238 PolarHBondContact O-N 3.2Å; A235-C238 WeakPolarHBondContact O-CB 3.27Å; A235-C238 PolarHBondContact O-N 2.78Å; L236-C238 VanDerWaalsContact C-N 3.35Å; C238-T241 PolarHBondContact O-N 3Å; C238-T241 PolarHBondContact O-OG1 2.93Å; C238-T242 PolarHBondContact O-N 3.49Å; C238-T242 PolarHBondContact O-OG1 2.8Å
239V98.7Very high98.5Very high0 Ų026.1 Ų26.10%015%0.146CC..Hα-helixtrans-63.4-46177.7173.10000111.6L183 T185 A235 L236 Y237 T241 G243 Y249 I308 L312L183-V239 HydrophobicContact CB-CG1 4.37Å; L183-V239 HydrophobicContact CD1-CG1 4.35Å; L183-V239 HydrophobicContact CD2-CG1 4.45Å; T185-V239 HydrophobicContact CG2-CB 4.09Å; T185-V239 HydrophobicContact CG2-CG1 3.77Å; T185-V239 HydrophobicContact CG2-CG2 3.85Å; A235-V239 WeakPolarHBondContact O-CG2 3.48Å; A235-V239 PolarHBondContact O-N 3.16Å; L236-V239 PolarHBondContact O-N 3.33Å; Y237-V239 PolarHBondContact O-N 3.44Å; V239-T241 PolarHBondContact O-N 2.75Å; V239-G243 VanDerWaalsContact O-CA 3.22Å; V239-G243 WeakPolarHBondContact O-CA 3.15Å; V239-G243 PolarHBondContact O-N 3.23Å; V239-Y249 HydrophobicContact CG1-CD2 3.82Å; V239-Y249 HydrophobicContact CG1-CE2 4.29Å; V239-Y249 HydrophobicContact CG2-CD2 4.08Å; V239-Y249 HydrophobicContact CG2-CG 4.28Å; V239-I308 HydrophobicContact CG2-CD1 3.75Å; V239-I308 HydrophobicContact CG2-CG1 4.45Å; V239-L312 HydrophobicContact CB-CD1 4.42Å; V239-L312 HydrophobicContact CG2-CD1 3.75Å
240A98.1Very high98.5Very high8 Ų826.1 Ų26.17%0.06615%0.146CC..Hα-helixtrans-60.3-30.218000000113M79 L236 Y237M79-A240 HydrophobicContact CE-CB 3.87Å; M79-A240 HydrophobicContact CG-CB 4.25Å; M79-A240 HydrophobicContact SD-CB 3.89Å; L236-A240 WeakPolarHBondContact O-CB 3.5Å; L236-A240 PolarHBondContact O-N 3.2Å; Y237-A240 PolarHBondContact O-N 3.39Å
241T97.4Very high98.5Very high42 Ų4224.2 Ų24.226%0.25814%0.137SC..Hα-helixtrans-102.3-24.7-171.759.30000114.5R2 Y237 C238 V239R2-T241 VanDerWaalsContact CZ-CG2 3.41Å; R2-T241 VanDerWaalsContact NH1-CB 3.33Å; Y237-T241 HydrophobicContact CD1-CG2 4.3Å; Y237-T241 HydrophobicContact CD2-CG2 4.08Å; Y237-T241 HydrophobicContact CE1-CG2 3.99Å; Y237-T241 HydrophobicContact CE2-CG2 3.76Å; Y237-T241 HydrophobicContact CG-CG2 4.35Å; Y237-T241 WeakPolarHBondContact O-CB 3.33Å; Y237-T241 VanDerWaalsContact O-CG2 3.23Å; Y237-T241 WeakPolarHBondContact O-CG2 3.49Å; Y237-T241 PolarHBondContact O-N 2.85Å; Y237-T241 VanDerWaalsContact O-N 3.1Å; Y237-T241 PolarHBondContact O-OG1 2.8Å; C238-T241 PolarHBondContact O-N 3Å; C238-T241 PolarHBondContact O-OG1 2.93Å; V239-T241 PolarHBondContact O-N 2.75Å
242T97.7Very high98.4Very high83 Ų8324.2 Ų24.251%0.50914%0.137SC..Hα-helixtrans-130.2-12-175.366.90000113.9C238C238-T242 PolarHBondContact O-N 3.49Å; C238-T242 PolarHBondContact O-OG1 2.8Å
243G98.2Very high97.9Very high6 Ų624.5 Ų24.56%0.06214%0.14CC..PPolyproline II helixtrans-63.2143.617900000112.8V239V239-G243 VanDerWaalsContact O-CA 3.22Å; V239-G243 WeakPolarHBondContact O-CA 3.15Å; V239-G243 PolarHBondContact O-N 3.23Å
244K98.3Very high97.4Very high129 Ų12929.3 Ų29.356%0.56116%0.162SC*.PPolyproline II helixtrans-82.2127.3178.5177-172.6166.3-141.30110.4L183 G246 E247 Y249L183-K244 WeakPolarHBondContact CD2-O 3.46Å; K244-G246 PolarHBondContact O-N 3.17Å; K244-E247 HydrophobicContact CB-CG 3.78Å; K244-E247 HydrophobicContact CD-CG 3.95Å; K244-E247 HydrophobicContact CG-CG 4Å; K244-E247 IonicContact NZ-OE1 2.66Å; K244-E247 PolarHBondContact NZ-OE1 3.15Å; K244-E247 VanDerWaalsContact O-CB 3.27Å; K244-E247 WeakPolarHBondContact O-CB 3.27Å; K244-E247 VanDerWaalsContact O-CG 3.3Å; K244-E247 WeakPolarHBondContact O-CG 3.44Å; K244-E247 PolarHBondContact O-N 2.9Å; K244-E247 VanDerWaalsContact O-N 3.1Å; K244-Y249 PolarHBondContact N-OH 2.9Å
245V98.4Very high97.1Very high47 Ų4728.9 Ų28.929%0.28516%0.163SC..THydrogen-bonded Turntrans-51.9133.9178.8172.50000111.3L175 P181 E247L175-V245 HydrophobicContact CD1-CG1 4.05Å; P181-V245 HydrophobicContact CB-CB 4.46Å; P181-V245 HydrophobicContact CB-CG1 3.77Å; P181-V245 HydrophobicContact CB-CG2 3.77Å; V245-E247 VanDerWaalsContact C-N 3.31Å
246G98.4Very high96.9Very high39 Ų3932 Ų3240%0.40218%0.178SC..THydrogen-bonded Turntrans86.2-6.1-179.200000115.2T182 K244T182-G246 PolarHBondContact O-N 3.4Å; K244-G246 PolarHBondContact O-N 3.17Å
247E98.7Very high96.8Very high46 Ų4636 Ų3622%0.21519%0.193CC..  trans-81.3151.9174.9-60.1-61.7147.600112I184 K244 V245 Y249 K307I184-E247 PolarHBondContact N-O 2.95Å; K244-E247 HydrophobicContact CB-CG 3.78Å; K244-E247 HydrophobicContact CD-CG 3.95Å; K244-E247 HydrophobicContact CG-CG 4Å; K244-E247 IonicContact NZ-OE1 2.66Å; K244-E247 PolarHBondContact NZ-OE1 3.15Å; K244-E247 VanDerWaalsContact O-CB 3.27Å; K244-E247 WeakPolarHBondContact O-CB 3.27Å; K244-E247 VanDerWaalsContact O-CG 3.3Å; K244-E247 WeakPolarHBondContact O-CG 3.44Å; K244-E247 PolarHBondContact O-N 2.9Å; K244-E247 VanDerWaalsContact O-N 3.1Å; V245-E247 VanDerWaalsContact C-N 3.31Å; E247-Y249 HydrophobicContact CB-CD2 4.38Å; E247-Y249 HydrophobicContact CB-CE2 3.68Å; E247-K307 IonicContact OE2-NZ 2.76Å; E247-K307 PolarHBondContact OE2-NZ 3.49Å
248T98.8Very high96.7Very high15 Ų1538.1 Ų38.19%0.09220%0.202CC..EExtended strand (participates in β ladder)trans-103.5144.5161-58.20000108.2E150 R172 I184 N186 K307E150-T248 HydrophobicContact CB-CG2 4.21Å; E150-T248 HydrophobicContact CG-CG2 3.92Å; E150-T248 WeakPolarHBondContact CG-O 3.43Å; R172-T248 PolarHBondContact NH2-OG1 3.2Å; R172-T248 VanDerWaalsContact NH2-OG1 3.15Å; I184-T248 HydrophobicContact CB-CG2 4.3Å; I184-T248 HydrophobicContact CG2-CG2 4.19Å; I184-T248 CarbonylContact O-C 3.54Å; I184-T248 VanDerWaalsContact O-CA 3.26Å; I184-T248 WeakPolarHBondContact O-CA 3.31Å; N186-T248 WeakPolarHBondContact OD1-CG2 3.48Å; T248-K307 WeakPolarHBondContact O-CE 3.32Å; T248-K307 PolarHBondContact O-NZ 3.3Å
249Y98.8Very high96.5Very high2 Ų237.6 Ų37.61%0.00820%0.198CC..EExtended strand (participates in β ladder)trans-130.2120174-63.9-78.8000110.2L183 I184 T185 N186 V239 K244 E247 K307 I308 E311 L312L183-Y249 HydrophobicContact CD2-CE2 4.22Å; I184-Y249 PolarHBondContact O-N 3.48Å; T185-Y249 VanDerWaalsContact CA-O 3.24Å; T185-Y249 WeakPolarHBondContact CA-O 3.32Å; N186-Y249 PolarHBondContact N-O 3.3Å; V239-Y249 HydrophobicContact CG1-CD2 3.82Å; V239-Y249 HydrophobicContact CG1-CE2 4.29Å; V239-Y249 HydrophobicContact CG2-CD2 4.08Å; V239-Y249 HydrophobicContact CG2-CG 4.28Å; K244-Y249 PolarHBondContact N-OH 2.9Å; E247-Y249 HydrophobicContact CB-CD2 4.38Å; E247-Y249 HydrophobicContact CB-CE2 3.68Å; Y249-K307 HydrophobicContact CD1-CD 4.12Å; Y249-K307 HydrophobicContact CD1-CG 4.18Å; Y249-K307 HydrophobicContact CE1-CD 4.35Å; Y249-K307 HydrophobicContact CE1-CG 4.33Å; Y249-I308 HydrophobicContact CD1-CB 4.14Å; Y249-I308 HydrophobicContact CD1-CG1 4.39Å; Y249-E311 HydrophobicContact CE1-CB 4.31Å; Y249-E311 WeakPolarHBondContact CE1-OE2 3.17Å; Y249-E311 PolarHBondContact OH-OE2 3.19Å; Y249-L312 HydrophobicContact CD1-CD1 4.39Å; Y249-L312 HydrophobicContact CE1-CD1 4.14Å; Y249-L312 HydrophobicContact CE1-CG 4.15Å; Y249-L312 HydrophobicContact CE2-CD1 4.26Å
250N98.7Very high96.4Very high0 Ų038.9 Ų38.90%021%0.205CC..EExtended strand (participates in β ladder)trans-76.8139.8169.8-80.1-2.2000110.3Y138 F148 T149 E150 N186 I303 D304 I308Y138-N250 PolarHBondContact OH-OD1 2.75Å; F148-N250 PolarHBondContact O-ND2 2.79Å; T149-N250 WeakPolarHBondContact CA-ND2 3.31Å; E150-N250 HydrophobicContact CG-CB 4.23Å; E150-N250 PolarHBondContact N-ND2 3.37Å; E150-N250 PolarHBondContact OE1-N 2.77Å; N186-N250 WeakPolarHBondContact O-CA 3.46Å; N250-I303 HydrophobicContact CB-CD1 4.12Å; N250-I303 HydrophobicContact CB-CG2 3.86Å; N250-D304 WeakPolarHBondContact CB-O 3.31Å; N250-I308 VanDerWaalsContact O-CG2 3.25Å; N250-I308 WeakPolarHBondContact O-CG2 3.26Å
251I98.7Very high96.4Very high0 Ų041 Ų410%022%0.215CC..EExtended strand (participates in β ladder)trans-130.1113.5-177.1-50.3175.3000108.8T185 N186 C187 S188 L227 A235 L236 I308 W314T185-I251 HydrophobicContact CG2-CD1 3.62Å; T185-I251 HydrophobicContact CG2-CG1 4.38Å; N186-I251 PolarHBondContact O-N 2.91Å; C187-I251 CarbonylContact C-O 3.57Å; C187-I251 WeakPolarHBondContact CA-O 3.39Å; C187-I251 HydrophobicContact CB-CB 4.09Å; S188-I251 PolarHBondContact N-O 2.83Å; L227-I251 HydrophobicContact CD2-CG2 3.6Å; A235-I251 HydrophobicContact CB-CD1 3.77Å; A235-I251 HydrophobicContact CB-CG1 4.39Å; A235-I251 HydrophobicContact CB-CG2 3.64Å; L236-I251 HydrophobicContact CD2-CD1 4.21Å; I251-I308 HydrophobicContact CD1-CD1 4.33Å; I251-I308 HydrophobicContact CG1-CD1 3.99Å; I251-W314 HydrophobicContact CG2-CE3 4.5Å; I251-W314 HydrophobicContact CG2-CH2 3.47Å; I251-W314 VanDerWaalsContact CG2-CH2 3.47Å; I251-W314 HydrophobicContact CG2-CZ2 3.93Å; I251-W314 HydrophobicContact CG2-CZ3 3.81Å
252G96.5Very high96.4Very high0 Ų039 Ų390%020%0.202CC..  trans-136.9164.2-177.300000111.9
253G88.7Confident96.4Very high6 Ų635 Ų356%0.06218%0.178CC..  trans-88.9-15.7174.700000113.2D225 N255D225-G253 PolarHBondContact OD1-N 3.34Å; D225-G253 PolarHBondContact OD2-N 2.97Å; G253-N255 VanDerWaalsContact O-CG 3.32Å; G253-N255 PolarHBondContact O-N 2.85Å; G253-N255 PolarHBondContact O-ND2 3.08Å; G253-N255 VanDerWaalsContact O-ND2 3.13Å
254H88.4Confident96.4Very high100 Ų10038.8 Ų38.846%0.46319%0.194SC..SBendtrans53.636-162.6-70-77.1000111.9D225 I303 A305D225-H254 PolarHBondContact OD1-N 2.81Å; D225-H254 VanDerWaalsContact OD1-N 3.13Å; D225-H254 PolarHBondContact OD2-N 2.87Å; H254-I303 PolarHBondContact CE1-O 3.44Å; H254-A305 PolarHBondContact NE2-N 2.81Å
255N92.1Very high96.4Very high30 Ų3034.2 Ų34.216%0.1618%0.177CC..  trans-120.462.1-174.4-64.7-48.5000110.5D225 W226 G253 R257 F320D225-N255 PolarHBondContact OD1-N 2.8Å; W226-N255 HydrophobicContact CB-CB 4.4Å; W226-N255 PolarHBondContact N-O 2.78Å; W226-N255 WeakPolarHBondContact O-CB 3.4Å; W226-N255 PolarHBondContact O-ND2 2.76Å; G253-N255 VanDerWaalsContact O-CG 3.32Å; G253-N255 PolarHBondContact O-N 2.85Å; G253-N255 PolarHBondContact O-ND2 3.08Å; G253-N255 VanDerWaalsContact O-ND2 3.13Å; N255-R257 PolarHBondContact O-N 2.95Å; N255-F320 HydrophobicContact CB-CB 4.09Å
256E95.4Very high96.4Very high65 Ų6532 Ų3230%0.30416%0.164SC..EExtended strand (participates in β ladder)trans-64.8119.6176.3-64.4-170.174.200111.2F147 I223 R224 R300 A302F147-E256 WeakPolarHBondContact CE1-OE2 3.18Å; I223-E256 HydrophobicContact CG2-CB 3.85Å; I223-E256 HydrophobicContact CG2-CG 4.34Å; R224-E256 WeakPolarHBondContact O-CA 3.48Å; E256-R300 IonicContact OE1-CZ 3.66Å; E256-R300 IonicContact OE1-NE 3.71Å; E256-R300 PolarHBondContact OE1-NE 3.27Å; E256-R300 IonicContact OE1-NH2 2.76Å; E256-R300 PolarHBondContact OE1-NH2 2.84Å; E256-R300 IonicContact OE2-CZ 3.81Å; E256-R300 IonicContact OE2-NH2 3.24Å; E256-R300 PolarHBondContact OE2-NH2 3.06Å; E256-A302 HydrophobicContact CG-CB 4.08Å; E256-A302 WeakPolarHBondContact OE1-CB 3.33Å
257R95.8Very high96.4Very high85 Ų8530.4 Ų30.432%0.32115%0.146SC..EExtended strand (participates in β ladder)trans-136.2143.4176.9-61.7-67.7-173.6178.7-1.8110.4I223 R224 N255 V262 F320 E321I223-R257 WeakPolarHBondContact CA-O 3.35Å; R224-R257 PolarHBondContact N-O 2.8Å; R224-R257 PolarHBondContact O-N 3.05Å; N255-R257 PolarHBondContact O-N 2.95Å; R257-V262 HydrophobicContact CB-CG2 3.73Å; R257-F320 HydrophobicContact CG-CD1 4.22Å; R257-F320 HydrophobicContact CG-CD2 4.39Å; R257-F320 HydrophobicContact CG-CE1 4.16Å; R257-F320 HydrophobicContact CG-CE2 4.33Å; R257-F320 HydrophobicContact CG-CG 4.33Å; R257-F320 HydrophobicContact CG-CZ 4.21Å; R257-E321 IonicContact CZ-OE1 2.65Å; R257-E321 IonicContact NH2-OE1 3.34Å; R257-E321 PolarHBondContact NH2-OE1 3.47Å
258K96.2Very high96.4Very high72 Ų7234.8 Ų34.831%0.31317%0.167SC..EExtended strand (participates in β ladder)trans-69.8147.9168-61.1173.4178.4-177.40109.3Q221 Q222 I223 L260 D261 V262Q221-K258 VanDerWaalsContact OE1-CE 3.3Å; Q222-K258 CarbonylContact O-C 3.59Å; Q222-K258 WeakPolarHBondContact O-CA 3.36Å; I223-K258 HydrophobicContact CG1-CG 3.93Å; K258-L260 PolarHBondContact O-N 3.36Å; K258-D261 HydrophobicContact CB-CB 4.41Å; K258-D261 WeakPolarHBondContact CB-OD2 3.36Å; K258-D261 PolarHBondContact O-N 3.08Å; K258-D261 VanDerWaalsContact O-N 3.16Å; K258-V262 WeakPolarHBondContact O-CG2 3.25Å; K258-V262 PolarHBondContact O-N 2.96Å; K258-V262 VanDerWaalsContact O-N 3.15Å
259N95.4Very high96.3Very high15 Ų1534.7 Ų34.78%0.0817%0.166CC..Hα-helixtrans-54-41176-72-26.8000112L200 G220 Q222 V262 V263L200-N259 HydrophobicContact CD2-CB 4.22Å; G220-N259 PolarHBondContact O-N 3.11Å; Q222-N259 PolarHBondContact O-N 2.56Å; Q222-N259 PolarHBondContact OE1-ND2 2.88Å; N259-V262 WeakPolarHBondContact O-CB 3.3Å; N259-V262 PolarHBondContact O-N 3.21Å; N259-V263 WeakPolarHBondContact O-CG2 3.44Å; N259-V263 PolarHBondContact O-N 3.24Å; N259-V263 VanDerWaalsContact O-N 3.15Å
260L96.7Very high96.3Very high26 Ų2634.6 Ų34.614%0.13617%0.165CC..Hα-helixtrans-61.6-48.9177.8-176.160.2000112.1G220 K258 V262 V263 E264 I288 F290G220-L260 PolarHBondContact O-N 3.13Å; K258-L260 PolarHBondContact O-N 3.36Å; L260-V262 PolarHBondContact O-N 3.05Å; L260-V263 PolarHBondContact O-N 3.32Å; L260-E264 HydrophobicContact CD1-CG 4.38Å; L260-E264 HydrophobicContact CG-CG 4.46Å; L260-E264 WeakPolarHBondContact O-CG 3.4Å; L260-E264 PolarHBondContact O-N 2.92Å; L260-I288 HydrophobicContact CD1-CG2 4.37Å; L260-F290 HydrophobicContact CD1-CZ 4.45Å
261D97.4Very high96.2Very high52 Ų5237.2 Ų37.228%0.27818%0.178SC..Hα-helixtrans-57.5-36.5178.9-52.2-10.5000111.6K258 T265K258-D261 HydrophobicContact CB-CB 4.41Å; K258-D261 WeakPolarHBondContact CB-OD2 3.36Å; K258-D261 PolarHBondContact O-N 3.08Å; K258-D261 VanDerWaalsContact O-N 3.16Å; D261-T265 WeakPolarHBondContact O-CB 3.38Å; D261-T265 PolarHBondContact O-N 3.47Å; D261-T265 PolarHBondContact O-OG1 3.33Å
262V97.9Very high96.2Very high0 Ų042.9 Ų42.90%020%0.204CC..Hα-helixtrans-64.7-45.4175.1176.60000111L200 I201 W226 R257 K258 N259 L260 T265 I266 F320 M324L200-V262 HydrophobicContact CD2-CB 4.47Å; L200-V262 HydrophobicContact CD2-CG1 4.27Å; I201-V262 HydrophobicContact CD1-CG1 4.22Å; I201-V262 HydrophobicContact CG1-CG1 3.76Å; W226-V262 HydrophobicContact CZ2-CG2 4.1Å; R257-V262 HydrophobicContact CB-CG2 3.73Å; K258-V262 WeakPolarHBondContact O-CG2 3.25Å; K258-V262 PolarHBondContact O-N 2.96Å; K258-V262 VanDerWaalsContact O-N 3.15Å; N259-V262 WeakPolarHBondContact O-CB 3.3Å; N259-V262 PolarHBondContact O-N 3.21Å; L260-V262 PolarHBondContact O-N 3.05Å; V262-T265 PolarHBondContact O-N 3.31Å; V262-I266 HydrophobicContact CG1-CD1 4.13Å; V262-I266 WeakPolarHBondContact O-CG1 3.25Å; V262-I266 PolarHBondContact O-N 3.39Å; V262-F320 HydrophobicContact CB-CZ 4.38Å; V262-F320 HydrophobicContact CG1-CZ 4.22Å; V262-F320 HydrophobicContact CG2-CE2 4.34Å; V262-F320 HydrophobicContact CG2-CZ 3.86Å; V262-M324 HydrophobicContact CG1-CE 3.97Å
263V97.9Very high96.2Very high0 Ų045.1 Ų45.10%022%0.216CC..Hα-helixtrans-64.6-42.4178.8-178.30000110.9L200 M204 L214 V216 N259 L260 I266 C267 I288L200-V263 HydrophobicContact CD1-CG2 4.16Å; M204-V263 HydrophobicContact CG-CG1 4.23Å; M204-V263 HydrophobicContact CG-CG2 3.82Å; M204-V263 HydrophobicContact SD-CG1 4.41Å; M204-V263 HydrophobicContact SD-CG2 4.35Å; L214-V263 HydrophobicContact CB-CG1 4.33Å; L214-V263 HydrophobicContact CD1-CG1 4.04Å; V216-V263 HydrophobicContact CG2-CG2 4.02Å; N259-V263 WeakPolarHBondContact O-CG2 3.44Å; N259-V263 PolarHBondContact O-N 3.24Å; N259-V263 VanDerWaalsContact O-N 3.15Å; L260-V263 PolarHBondContact O-N 3.32Å; V263-I266 PolarHBondContact O-N 3.24Å; V263-C267 PolarHBondContact O-N 3.41Å; V263-C267 PolarHBondContact O-SG 3.28Å; V263-I288 HydrophobicContact CG1-CD1 4.01Å; V263-I288 HydrophobicContact CG1-CG1 3.91Å
264E97.9Very high96.5Very high85 Ų8545.5 Ų45.540%0.39722%0.218SC..Hα-helixtrans-61.8-45.9176.4-70.1176162.600111.1L260 I266 C267 E268 I288L260-E264 HydrophobicContact CD1-CG 4.38Å; L260-E264 HydrophobicContact CG-CG 4.46Å; L260-E264 WeakPolarHBondContact O-CG 3.4Å; L260-E264 PolarHBondContact O-N 2.92Å; E264-I266 VanDerWaalsContact C-N 3.3Å; E264-I266 PolarHBondContact O-N 3.4Å; E264-C267 WeakPolarHBondContact O-CB 3.48Å; E264-C267 PolarHBondContact O-N 3.33Å; E264-E268 WeakPolarHBondContact O-CG 3.48Å; E264-E268 PolarHBondContact O-N 2.83Å; E264-I288 HydrophobicContact CG-CD1 4.24Å
265T98Very high96.8Very high34 Ų3444.5 Ų44.521%0.20922%0.22CC..Hα-helixtrans-57.7-41.4175.4-56.70000112D261 V262 E268 L269 F320 M324D261-T265 WeakPolarHBondContact O-CB 3.38Å; D261-T265 PolarHBondContact O-N 3.47Å; D261-T265 PolarHBondContact O-OG1 3.33Å; V262-T265 PolarHBondContact O-N 3.31Å; T265-E268 PolarHBondContact O-N 3.23Å; T265-L269 HydrophobicContact CG2-CD1 4.19Å; T265-L269 WeakPolarHBondContact O-CB 3.3Å; T265-L269 WeakPolarHBondContact O-CG 3.29Å; T265-L269 PolarHBondContact O-N 2.63Å; T265-F320 HydrophobicContact CG2-CE1 4.15Å; T265-M324 HydrophobicContact CG2-CG 4.2Å
266I98.2Very high96.8Very high1 Ų150.4 Ų50.41%0.00525%0.252CS..Hα-helixtrans-63.7-44176-70.4165000110.6I201 M204 I205 V262 V263 E264 L269 L270 M324I201-I266 HydrophobicContact CB-CD1 4.29Å; I201-I266 HydrophobicContact CG1-CD1 4.18Å; I201-I266 HydrophobicContact CG2-CD1 4.09Å; M204-I266 HydrophobicContact CB-CD1 3.99Å; M204-I266 HydrophobicContact CB-CG2 4.48Å; I205-I266 HydrophobicContact CG1-CD1 4.39Å; I205-I266 HydrophobicContact CG1-CG1 4.47Å; I205-I266 HydrophobicContact CG1-CG2 3.67Å; V262-I266 HydrophobicContact CG1-CD1 4.13Å; V262-I266 WeakPolarHBondContact O-CG1 3.25Å; V262-I266 PolarHBondContact O-N 3.39Å; V263-I266 PolarHBondContact O-N 3.24Å; E264-I266 VanDerWaalsContact C-N 3.3Å; E264-I266 PolarHBondContact O-N 3.4Å; I266-L269 PolarHBondContact O-N 3.27Å; I266-L270 HydrophobicContact CG2-CD1 3.91Å; I266-L270 HydrophobicContact CG2-CG 4.38Å; I266-L270 WeakPolarHBondContact O-CB 3.37Å; I266-L270 VanDerWaalsContact O-CG 3.31Å; I266-L270 WeakPolarHBondContact O-CG 3.39Å; I266-L270 PolarHBondContact O-N 2.96Å; I266-M324 HydrophobicContact CD1-SD 4.27Å; I266-M324 HydrophobicContact CG1-CE 4.44Å; I266-M324 HydrophobicContact CG1-CG 4.45Å; I266-M324 HydrophobicContact CG1-SD 3.77Å
267C98.2Very high96.6Very high4 Ų450.2 Ų50.23%0.02725%0.25CS..Hα-helixtrans-60.3-48.1178.4-65.90000110.9V263 E264 L269 L270 E271V263-C267 PolarHBondContact O-N 3.41Å; V263-C267 PolarHBondContact O-SG 3.28Å; E264-C267 WeakPolarHBondContact O-CB 3.48Å; E264-C267 PolarHBondContact O-N 3.33Å; C267-L269 PolarHBondContact O-N 3.17Å; C267-L270 PolarHBondContact O-N 3.3Å; C267-L270 VanDerWaalsContact O-N 3.13Å; C267-E271 WeakPolarHBondContact O-CG 3.28Å; C267-E271 PolarHBondContact O-N 3.04Å
268E97.9Very high96.3Very high138 Ų13847.8 Ų47.865%0.64525%0.245SC*.Hα-helixtrans-59-43.5177.2-69.8177.1175.700112.5E264 T265 L270 E271 E272E264-E268 WeakPolarHBondContact O-CG 3.48Å; E264-E268 PolarHBondContact O-N 2.83Å; T265-E268 PolarHBondContact O-N 3.23Å; E268-L270 VanDerWaalsContact C-N 3.31Å; E268-L270 PolarHBondContact O-N 2.92Å; E268-E271 WeakPolarHBondContact O-CB 3.39Å; E268-E271 PolarHBondContact O-N 3.37Å; E268-E272 PolarHBondContact O-N 3.25Å
269L98.3Very high95.9Very high14 Ų1453 Ų537%0.07327%0.271CS..Hα-helixtrans-64.3-35.9175.6-76.2169.3000112.4T265 I266 C267 E272 L273 M324 R325 V328T265-L269 HydrophobicContact CG2-CD1 4.19Å; T265-L269 WeakPolarHBondContact O-CB 3.3Å; T265-L269 WeakPolarHBondContact O-CG 3.29Å; T265-L269 PolarHBondContact O-N 2.63Å; I266-L269 PolarHBondContact O-N 3.27Å; C267-L269 PolarHBondContact O-N 3.17Å; L269-E272 PolarHBondContact O-N 3.02Å; L269-L273 VanDerWaalsContact O-CB 3.26Å; L269-L273 WeakPolarHBondContact O-CB 3.47Å; L269-L273 VanDerWaalsContact O-CG 3.28Å; L269-L273 WeakPolarHBondContact O-CG 3.43Å; L269-L273 PolarHBondContact O-N 3.36Å; L269-M324 HydrophobicContact CD1-CB 4.14Å; L269-M324 HydrophobicContact CD1-CG 3.54Å; L269-R325 HydrophobicContact CD2-CB 4.09Å; L269-R325 HydrophobicContact CD2-CG 4.28Å; L269-V328 HydrophobicContact CB-CG1 4.44Å; L269-V328 HydrophobicContact CB-CG2 4.15Å; L269-V328 HydrophobicContact CD1-CG2 3.97Å
270L98Very high95.6Very high0 Ų055.5 Ų55.50%030%0.3CS..Hα-helixtrans-72.6-32.9176.6-72.1174.1000112.3A208 L209 I266 C267 E268 E272 A274 Y284 V328 L332A208-L270 HydrophobicContact CB-CD1 3.42Å; A208-L270 VanDerWaalsContact CB-CD1 3.42Å; L209-L270 HydrophobicContact CD2-CD2 3.99Å; L209-L270 HydrophobicContact CG-CD2 4.29Å; I266-L270 HydrophobicContact CG2-CD1 3.91Å; I266-L270 HydrophobicContact CG2-CG 4.38Å; I266-L270 WeakPolarHBondContact O-CB 3.37Å; I266-L270 VanDerWaalsContact O-CG 3.31Å; I266-L270 WeakPolarHBondContact O-CG 3.39Å; I266-L270 PolarHBondContact O-N 2.96Å; C267-L270 PolarHBondContact O-N 3.3Å; C267-L270 VanDerWaalsContact O-N 3.13Å; E268-L270 VanDerWaalsContact C-N 3.31Å; E268-L270 PolarHBondContact O-N 2.92Å; L270-E272 PolarHBondContact O-N 2.97Å; L270-A274 HydrophobicContact CD2-CB 4.22Å; L270-A274 CarbonylContact O-C 3.59Å; L270-A274 VanDerWaalsContact O-C 3.25Å; L270-A274 WeakPolarHBondContact O-CA 3.47Å; L270-A274 PolarHBondContact O-N 3.39Å; L270-Y284 HydrophobicContact CB-CD2 3.5Å; L270-Y284 HydrophobicContact CB-CE2 3.55Å; L270-Y284 HydrophobicContact CB-CG 4.1Å; L270-Y284 HydrophobicContact CD1-CD1 4.49Å; L270-Y284 HydrophobicContact CD1-CG 4.47Å; L270-V328 HydrophobicContact CD2-CG1 3.73Å; L270-V328 HydrophobicContact CG-CG1 4.32Å; L270-L332 HydrophobicContact CD2-CD2 4.43Å
271E97.4Very high95.5Very high55 Ų5555.3 Ų55.326%0.25730%0.299SS..Hα-helixtrans-56.6-40.8170.5-69.2-62.1150.600111.4C267 E268 K277 H283 Y284C267-E271 WeakPolarHBondContact O-CG 3.28Å; C267-E271 PolarHBondContact O-N 3.04Å; E268-E271 WeakPolarHBondContact O-CB 3.39Å; E268-E271 PolarHBondContact O-N 3.37Å; E271-K277 WeakPolarHBondContact OE1-CE 3.39Å; E271-K277 IonicContact OE1-NZ 3.45Å; E271-K277 WeakPolarHBondContact OE2-CE 3.49Å; E271-K277 IonicContact OE2-NZ 3.6Å; E271-K277 PolarHBondContact OE2-NZ 2.8Å; E271-H283 VanDerWaalsContact OE1-CA 3.31Å; E271-H283 WeakPolarHBondContact OE1-CA 3.46Å; E271-H283 IonicContact OE1-ND1 3.98Å; E271-Y284 HydrophobicContact CG-CD2 4.38Å; E271-Y284 WeakPolarHBondContact OE1-CD2 3.46Å; E271-Y284 PolarHBondContact OE1-N 3.5Å
272E97.5Very high95.3Very high118 Ų11857.5 Ų57.555%0.55132%0.315SS*.Hα-helixtrans-77.2-49.7178.5-171.8-164.8136.600112.9E268 L269 L270 R325E268-E272 PolarHBondContact O-N 3.25Å; L269-E272 PolarHBondContact O-N 3.02Å; L270-E272 PolarHBondContact O-N 2.97Å; E272-R325 VanDerWaalsContact CD-NH1 3.3Å; E272-R325 IonicContact OE1-CZ 3.64Å; E272-R325 IonicContact OE1-NH1 3.96Å; E272-R325 PolarHBondContact OE1-NH1 3.45Å; E272-R325 IonicContact OE1-NH2 3.41Å; E272-R325 PolarHBondContact OE1-NH2 2.79Å; E272-R325 IonicContact OE2-CZ 2.84Å; E272-R325 IonicContact OE2-NH1 2.86Å; E272-R325 PolarHBondContact OE2-NH1 3.05Å; E272-R325 IonicContact OE2-NH2 3.63Å; E272-R325 PolarHBondContact OE2-NH2 3.27Å
273L97.4Very high95.2Very high48 Ų4861.9 Ų61.925%0.25134%0.335SS..Hα-helixtrans-90.8-19.2-167.5-62.3172.8000113.8L269 V328 Q329 L332L269-L273 VanDerWaalsContact O-CB 3.26Å; L269-L273 WeakPolarHBondContact O-CB 3.47Å; L269-L273 VanDerWaalsContact O-CG 3.28Å; L269-L273 WeakPolarHBondContact O-CG 3.43Å; L269-L273 PolarHBondContact O-N 3.36Å; L273-V328 HydrophobicContact CD1-CB 4.2Å; L273-V328 HydrophobicContact CD1-CG1 3.76Å; L273-Q329 HydrophobicContact CD1-CG 3.81Å; L273-Q329 HydrophobicContact CD2-CG 4.39Å; L273-L332 HydrophobicContact CB-CD1 3.59Å
274A95.3Very high95.2Very high13 Ų1362 Ų6211%0.10734%0.335CS..  trans-13661.2-179.800000111.5L209 L270 N276 Y284 L332L209-A274 HydrophobicContact CD2-CB 3.99Å; L270-A274 HydrophobicContact CD2-CB 4.22Å; L270-A274 CarbonylContact O-C 3.59Å; L270-A274 VanDerWaalsContact O-C 3.25Å; L270-A274 WeakPolarHBondContact O-CA 3.47Å; L270-A274 PolarHBondContact O-N 3.39Å; A274-N276 PolarHBondContact O-N 3.3Å; A274-N276 VanDerWaalsContact O-N 3.08Å; A274-Y284 PolarHBondContact O-OH 3.43Å; A274-Y284 VanDerWaalsContact O-OH 3.11Å; A274-L332 HydrophobicContact CB-CD1 4.42Å; A274-L332 HydrophobicContact CB-CD2 4.01Å
275P93.7Very high95.2Very high79 Ų7960.6 Ų60.651%0.51334%0.335SS..  trans-64.8-18.9-17426.9-36.3000113.9K277P275-K277 PolarHBondContact O-N 3.37Å; P275-K277 VanDerWaalsContact O-N 3.12Å
276N92.1Very high95.1Very high154 Ų15463.8 Ų63.882%0.82435%0.351SS*.SBendtrans-80.885.6175.3-66.1-34.9000110.5A274A274-N276 PolarHBondContact O-N 3.3Å; A274-N276 VanDerWaalsContact O-N 3.08Å
277K92.2Very high95Very high62 Ų6265 Ų6527%0.2736%0.357SS..PPolyproline II helixtrans-76.3156.5-175-60.1-177.1-178.774.40113.5E271 P275 V281 V282 Y284E271-K277 WeakPolarHBondContact OE1-CE 3.39Å; E271-K277 IonicContact OE1-NZ 3.45Å; E271-K277 WeakPolarHBondContact OE2-CE 3.49Å; E271-K277 IonicContact OE2-NZ 3.6Å; E271-K277 PolarHBondContact OE2-NZ 2.8Å; P275-K277 PolarHBondContact O-N 3.37Å; P275-K277 VanDerWaalsContact O-N 3.12Å; K277-V281 HydrophobicContact CB-CB 4.33Å; K277-V281 HydrophobicContact CD-CG1 4.25Å; K277-V281 WeakPolarHBondContact CD-O 3.49Å; K277-V282 WeakPolarHBondContact CD-O 3.35Å; K277-V282 WeakPolarHBondContact CE-O 3.45Å; K277-Y284 HydrophobicContact CD-CE2 4.35Å; K277-Y284 HydrophobicContact CG-CE2 3.89Å
278P89.3Confident94.9Very high33 Ų3366.4 Ų66.421%0.21436%0.364CS..PPolyproline II helixtrans-57.3151.9167.7-22.834.6000112.4L209 G280 V281L209-P278 WeakPolarHBondContact O-CG 3.42Å; P278-G280 PolarHBondContact O-N 3.03Å; P278-V281 HydrophobicContact CB-CG2 4.06Å; P278-V281 HydrophobicContact CG-CG2 4.47Å; P278-V281 WeakPolarHBondContact O-CB 3.42Å; P278-V281 PolarHBondContact O-N 3.3Å; P278-V281 VanDerWaalsContact O-N 3.15Å
279H87.4Confident94.8Very high182 Ų18262.8 Ų62.884%0.84335%0.352SS*.THydrogen-bonded Turntrans-56.4133.3178.3-175.676.5000111.5V281H279-V281 VanDerWaalsContact C-N 3.33Å
280G89.7Confident94.6Very high67 Ų6767.8 Ų67.869%0.69137%0.373SS*.THydrogen-bonded Turntrans85.5-7.2-17900000115.3P278P278-G280 PolarHBondContact O-N 3.03Å
281V93.4Very high94.2Very high22 Ų2270.3 Ų70.313%0.13339%0.388CS..  trans-95114.9178.4-174.60000109.9K277 P278 H279 H283 Y284 L287K277-V281 HydrophobicContact CB-CB 4.33Å; K277-V281 HydrophobicContact CD-CG1 4.25Å; K277-V281 WeakPolarHBondContact CD-O 3.49Å; P278-V281 HydrophobicContact CB-CG2 4.06Å; P278-V281 HydrophobicContact CG-CG2 4.47Å; P278-V281 WeakPolarHBondContact O-CB 3.42Å; P278-V281 PolarHBondContact O-N 3.3Å; P278-V281 VanDerWaalsContact O-N 3.15Å; H279-V281 VanDerWaalsContact C-N 3.33Å; V281-H283 WeakPolarHBondContact CG1-O 3.38Å; V281-Y284 HydrophobicContact CG1-CD1 4.46Å; V281-L287 HydrophobicContact CG1-CD1 4.12Å; V281-L287 HydrophobicContact CG1-CD2 4.48Å; V281-L287 HydrophobicContact CG1-CG 4.24Å; V281-L287 HydrophobicContact CG2-CD1 4.38Å; V281-L287 HydrophobicContact CG2-CD2 4.05Å
282V94Very high93.6Very high99 Ų9972 Ų7260%0.641%0.411SS*.SBendtrans-83.9-54.1174.7-176.40000109.9K277K277-V282 WeakPolarHBondContact CD-O 3.35Å; K277-V282 WeakPolarHBondContact CE-O 3.45Å
283H96.2Very high93.1Very high91 Ų9169.8 Ų69.842%0.42140%0.404SS..  trans-124.8144.9171.5-59.8-69000111.2E271 V281 S285 D286E271-H283 VanDerWaalsContact OE1-CA 3.31Å; E271-H283 WeakPolarHBondContact OE1-CA 3.46Å; E271-H283 IonicContact OE1-ND1 3.98Å; V281-H283 WeakPolarHBondContact CG1-O 3.38Å; H283-S285 PolarHBondContact O-N 2.94Å; H283-D286 IonicContact CD2-OD2 3.5Å; H283-D286 PolarHBondContact N-OD2 3.43Å; H283-D286 WeakPolarHBondContact O-CB 3.5Å; H283-D286 PolarHBondContact O-N 3.5Å; H283-D286 VanDerWaalsContact O-N 3.08Å
284Y97.3Very high92.4Very high2 Ų269.9 Ų69.91%0.00840%0.401CS..G310 helixtrans-61.4-30.9175.6-74.1-67.4000112.4A208 L270 E271 A274 K277 V281 D286 L287A208-Y284 HydrophobicContact CB-CD1 3.68Å; A208-Y284 HydrophobicContact CB-CE1 4.13Å; A208-Y284 HydrophobicContact CB-CG 4.44Å; A208-Y284 VanDerWaalsContact O-CE1 3.29Å; A208-Y284 WeakPolarHBondContact O-CE1 3.13Å; L270-Y284 HydrophobicContact CB-CD2 3.5Å; L270-Y284 HydrophobicContact CB-CE2 3.55Å; L270-Y284 HydrophobicContact CB-CG 4.1Å; L270-Y284 HydrophobicContact CD1-CD1 4.49Å; L270-Y284 HydrophobicContact CD1-CG 4.47Å; E271-Y284 HydrophobicContact CG-CD2 4.38Å; E271-Y284 WeakPolarHBondContact OE1-CD2 3.46Å; E271-Y284 PolarHBondContact OE1-N 3.5Å; A274-Y284 PolarHBondContact O-OH 3.43Å; A274-Y284 VanDerWaalsContact O-OH 3.11Å; K277-Y284 HydrophobicContact CD-CE2 4.35Å; K277-Y284 HydrophobicContact CG-CE2 3.89Å; V281-Y284 HydrophobicContact CG1-CD1 4.46Å; Y284-D286 PolarHBondContact O-N 3.07Å; Y284-L287 HydrophobicContact CD1-CD1 4.18Å; Y284-L287 VanDerWaalsContact O-CB 3.3Å; Y284-L287 WeakPolarHBondContact O-CB 3.47Å; Y284-L287 PolarHBondContact O-N 2.96Å; Y284-L287 VanDerWaalsContact O-N 3.16Å
285S97.1Very high91.6Very high56 Ų5673.9 Ų73.939%0.39243%0.425SS..G310 helixtrans-62.8-25.117554.20000113.6H283 L287 I288H283-S285 PolarHBondContact O-N 2.94Å; S285-L287 PolarHBondContact O-N 3.08Å; S285-L287 VanDerWaalsContact O-N 3.16Å; S285-I288 WeakPolarHBondContact O-CB 3.47Å; S285-I288 VanDerWaalsContact O-CG1 3.31Å; S285-I288 WeakPolarHBondContact O-CG1 3.41Å; S285-I288 PolarHBondContact O-N 3.11Å; S285-I288 VanDerWaalsContact O-N 3.14Å
286D96Very high91Very high102 Ų10272.9 Ų72.955%0.54543%0.429SS..G310 helixtrans-67-15.5177.8-58.2-28.4000112.1H283 Y284 I288H283-D286 IonicContact CD2-OD2 3.5Å; H283-D286 PolarHBondContact N-OD2 3.43Å; H283-D286 WeakPolarHBondContact O-CB 3.5Å; H283-D286 PolarHBondContact O-N 3.5Å; H283-D286 VanDerWaalsContact O-N 3.08Å; Y284-D286 PolarHBondContact O-N 3.07Å; D286-I288 VanDerWaalsContact C-N 3.34Å
287L96.4Very high90.6Very high25 Ų2566.9 Ų66.913%0.13140%0.396CS..G310 helixtrans-82.5-10.8177.9-58.4173.4000112.8S213 L214 V281 Y284 S285 T289S213-L287 CarbonylContact C-O 3.44Å; S213-L287 WeakPolarHBondContact CA-O 3.25Å; L214-L287 HydrophobicContact CD1-CB 4.01Å; L214-L287 HydrophobicContact CG-CB 3.72Å; L214-L287 PolarHBondContact N-O 2.86Å; V281-L287 HydrophobicContact CG1-CD1 4.12Å; V281-L287 HydrophobicContact CG1-CD2 4.48Å; V281-L287 HydrophobicContact CG1-CG 4.24Å; V281-L287 HydrophobicContact CG2-CD1 4.38Å; V281-L287 HydrophobicContact CG2-CD2 4.05Å; Y284-L287 HydrophobicContact CD1-CD1 4.18Å; Y284-L287 VanDerWaalsContact O-CB 3.3Å; Y284-L287 WeakPolarHBondContact O-CB 3.47Å; Y284-L287 PolarHBondContact O-N 2.96Å; Y284-L287 VanDerWaalsContact O-N 3.16Å; S285-L287 PolarHBondContact O-N 3.08Å; S285-L287 VanDerWaalsContact O-N 3.16Å; L287-T289 PolarHBondContact O-N 2.86Å; L287-T289 PolarHBondContact O-OG1 3.21Å
288I97.3Very high90.3Very high35 Ų3564.5 Ų64.518%0.17939%0.387CS..EExtended strand (participates in β ladder)trans-61.4123-179.7-63.7173.4000110.4L214 V216 L260 V263 E264 S285 D286L214-I288 HydrophobicContact CB-CG1 4.42Å; L214-I288 HydrophobicContact CD1-CG1 4.13Å; V216-I288 HydrophobicContact CG2-CG2 4Å; L260-I288 HydrophobicContact CD1-CG2 4.37Å; V263-I288 HydrophobicContact CG1-CD1 4.01Å; V263-I288 HydrophobicContact CG1-CG1 3.91Å; E264-I288 HydrophobicContact CG-CD1 4.24Å; S285-I288 WeakPolarHBondContact O-CB 3.47Å; S285-I288 VanDerWaalsContact O-CG1 3.31Å; S285-I288 WeakPolarHBondContact O-CG1 3.41Å; S285-I288 PolarHBondContact O-N 3.11Å; S285-I288 VanDerWaalsContact O-N 3.14Å; D286-I288 VanDerWaalsContact C-N 3.34Å
289T94.8Very high90.4Very high62 Ų6267.8 Ų67.838%0.3840%0.402SS..EExtended strand (participates in β ladder)trans-131.8124.3-179.6-54.50000109.8S213 L214 P215 V216 L287S213-T289 WeakPolarHBondContact CB-OG1 3.42Å; L214-T289 PolarHBondContact O-N 2.96Å; P215-T289 CarbonylContact C-O 3.57Å; P215-T289 WeakPolarHBondContact CA-O 3.47Å; V216-T289 PolarHBondContact N-O 3.17Å; L287-T289 PolarHBondContact O-N 2.86Å; L287-T289 PolarHBondContact O-OG1 3.21Å
290F94.1Very high90.7Very high119 Ų11959.8 Ų59.852%0.52236%0.364SS..EExtended strand (participates in β ladder)trans-78.3130.7174.8-62.9-77.2000110.9V216 G218 L260V216-F290 HydrophobicContact CB-CD1 4.05Å; V216-F290 HydrophobicContact CB-CE1 4.27Å; V216-F290 HydrophobicContact CG1-CD1 4.04Å; V216-F290 HydrophobicContact CG1-CE1 4Å; V216-F290 WeakPolarHBondContact O-CA 3.42Å; G218-F290 VanDerWaalsContact O-CD1 3.25Å; G218-F290 WeakPolarHBondContact O-CD1 3.2Å; L260-F290 HydrophobicContact CD1-CZ 4.45Å
291V89.7Confident90.9Very high53 Ų5356.9 Ų56.932%0.32133%0.332SS..EExtended strand (participates in β ladder)trans-120165178.7-62.70000110.5P215 V216 Y217 G218 D293P215-V291 HydrophobicContact CB-CG1 3.91Å; P215-V291 HydrophobicContact CB-CG2 4.02Å; V216-V291 WeakPolarHBondContact O-CG2 3.46Å; V216-V291 PolarHBondContact O-N 3.34Å; Y217-V291 HydrophobicContact CD1-CG2 3.54Å; Y217-V291 HydrophobicContact CE1-CG2 3.92Å; Y217-V291 HydrophobicContact CG-CG2 4.42Å; G218-V291 PolarHBondContact N-O 3.04Å; V291-D293 PolarHBondContact O-N 2.95Å
292A85.7Confident91Very high90 Ų9055.9 Ų55.974%0.74433%0.326SS*.PPolyproline II helixtrans-54.2140.1177.200000111.2Y217Y217-A292 WeakPolarHBondContact CD1-O 3.39Å
293D86.3Confident91.1Very high72 Ų7251.1 Ų51.139%0.38530%0.297SS..PPolyproline II helixtrans-69.7156.8-177.4-153.8-1.6000111.9Q222 V291 H297Q222-D293 PolarHBondContact NE2-OD1 3.33Å; Q222-D293 PolarHBondContact NE2-OD2 3.44Å; Q222-D293 VanDerWaalsContact NE2-OD2 3.07Å; V291-D293 PolarHBondContact O-N 2.95Å; D293-H297 IonicContact OD1-CE1 2.71Å; D293-H297 IonicContact OD1-CG 3.97Å; D293-H297 IonicContact OD1-ND1 3.48Å; D293-H297 PolarHBondContact OD1-ND1 3.4Å
294R82.4Confident91.1Very high50 Ų5049 Ų4919%0.18929%0.289CS..PPolyproline II helixtrans-70.5137.8176.7174.8-173.8-65.8166.35.7109.9D88 I91 G296 H297D88-R294 WeakPolarHBondContact OD1-CD 3.33Å; D88-R294 IonicContact OD1-CZ 3.3Å; D88-R294 IonicContact OD1-NE 3.12Å; D88-R294 PolarHBondContact OD1-NE 2.54Å; D88-R294 IonicContact OD1-NH2 3.11Å; D88-R294 PolarHBondContact OD1-NH2 3.2Å; D88-R294 IonicContact OD2-CZ 3.47Å; D88-R294 VanDerWaalsContact OD2-CZ 3.24Å; D88-R294 IonicContact OD2-NE 3.42Å; D88-R294 PolarHBondContact OD2-NE 2.79Å; D88-R294 IonicContact OD2-NH2 2.71Å; D88-R294 PolarHBondContact OD2-NH2 3.12Å; I91-R294 HydrophobicContact CD1-CG 4.18Å; R294-G296 PolarHBondContact O-N 3.47Å; R294-H297 HydrophobicContact CB-CB 4.01Å; R294-H297 WeakPolarHBondContact O-CB 3.31Å; R294-H297 PolarHBondContact O-N 3.12Å
295P79.4Confident91.1Very high96 Ų9649 Ų4962%0.62329%0.29SS*.THydrogen-bonded Turntrans-60.7128.8170.5-23.134000111.7
296G79.6Confident91.1Very high58 Ų5849.1 Ų49.160%0.59829%0.291SS*.THydrogen-bonded Turntrans69.230.8179.700000113.9R294 D298R294-G296 PolarHBondContact O-N 3.47Å; G296-D298 PolarHBondContact O-N 2.62Å
297H83.6Confident91.3Very high28 Ų2845.6 Ų45.613%0.1327%0.27CS..  trans-75.4106.2-178.6-159.5179.8000111.2R224 D293 R294 L299R224-H297 PolarHBondContact NH2-CD2 2.91Å; R224-H297 PolarHBondContact NH2-NE2 2.82Å; D293-H297 IonicContact OD1-CE1 2.71Å; D293-H297 IonicContact OD1-CG 3.97Å; D293-H297 IonicContact OD1-ND1 3.48Å; D293-H297 PolarHBondContact OD1-ND1 3.4Å; R294-H297 HydrophobicContact CB-CB 4.01Å; R294-H297 WeakPolarHBondContact O-CB 3.31Å; R294-H297 PolarHBondContact O-N 3.12Å; H297-L299 PolarHBondContact O-N 3.35Å
298D87.4Confident91.3Very high13 Ų1344.4 Ų44.47%0.0726%0.264CS..  trans-59.5136.1174.7-66.3-28.3000110.8D140 S157 R224 G296 Y301D140-D298 HydrophobicContact CB-CB 3.91Å; S157-D298 VanDerWaalsContact CB-OD1 3.25Å; S157-D298 WeakPolarHBondContact CB-OD1 3.36Å; S157-D298 WeakPolarHBondContact CB-OD2 3.42Å; S157-D298 VanDerWaalsContact OG-CG 3.29Å; S157-D298 PolarHBondContact OG-OD1 2.82Å; S157-D298 PolarHBondContact OG-OD2 3Å; S157-D298 VanDerWaalsContact OG-OD2 3.1Å; R224-D298 PolarHBondContact NH1-O 3.23Å; R224-D298 PolarHBondContact NH2-O 2.77Å; G296-D298 PolarHBondContact O-N 2.62Å; D298-Y301 HydrophobicContact CB-CD1 4.3Å; D298-Y301 HydrophobicContact CB-CE1 3.31Å; D298-Y301 WeakPolarHBondContact CB-OH 3.5Å; D298-Y301 WeakPolarHBondContact OD2-CE1 3.29Å; D298-Y301 PolarHBondContact OD2-OH 3.17Å
299L89.8Confident91.4Very high101 Ų10144 Ų4453%0.52927%0.266SS..SBendtrans-77.2-40.9-170.9-68175000112.5D140 Q222 I223 H297D140-L299 PolarHBondContact OD1-N 3.46Å; D140-L299 PolarHBondContact OD2-N 3.03Å; D140-L299 VanDerWaalsContact OD2-N 3.1Å; Q222-L299 CarbonylContact C-O 3.26Å; Q222-L299 VanDerWaalsContact CA-O 3.23Å; Q222-L299 WeakPolarHBondContact CA-O 3.31Å; Q222-L299 HydrophobicContact CG-CD2 4.48Å; I223-L299 PolarHBondContact N-O 2.97Å; H297-L299 PolarHBondContact O-N 3.35Å
300R94.9Very high91.5Very high15 Ų1549.1 Ų49.16%0.05728%0.279CS..BIsolated β-bridgetrans-145.8127.5-174.8177.5174.5177.9-94.1-6.4111.9D140 L141 S143 T144 D146 I223 E256 A302D140-R300 PolarHBondContact OD1-N 3.07Å; L141-R300 HydrophobicContact CB-CB 4.35Å; L141-R300 HydrophobicContact CB-CG 4.29Å; L141-R300 WeakPolarHBondContact CB-O 3.43Å; L141-R300 PolarHBondContact N-O 3.46Å; L141-R300 VanDerWaalsContact N-O 3.07Å; S143-R300 PolarHBondContact O-NH1 2.97Å; T144-R300 PolarHBondContact O-NH2 3.5Å; D146-R300 PolarHBondContact O-NH1 2.82Å; D146-R300 PolarHBondContact O-NH2 2.78Å; I223-R300 HydrophobicContact CB-CB 4.19Å; I223-R300 HydrophobicContact CB-CG 3.99Å; I223-R300 HydrophobicContact CG2-CG 4.06Å; I223-R300 WeakPolarHBondContact O-CA 3.34Å; E256-R300 IonicContact OE1-CZ 3.66Å; E256-R300 IonicContact OE1-NE 3.71Å; E256-R300 PolarHBondContact OE1-NE 3.27Å; E256-R300 IonicContact OE1-NH2 2.76Å; E256-R300 PolarHBondContact OE1-NH2 2.84Å; E256-R300 IonicContact OE2-CZ 3.81Å; E256-R300 IonicContact OE2-NH2 3.24Å; E256-R300 PolarHBondContact OE2-NH2 3.06Å; R300-A302 VanDerWaalsContact NH2-CB 3.26Å
301Y94.3Very high91.7Very high6 Ų647.4 Ų47.42%0.02427%0.272CS..  trans-115.9132.9163.5-55.1-32.5000109.9D135 E136 G139 F148 I223 R224 D225 D298D135-Y301 WeakPolarHBondContact OD2-CB 3.45Å; E136-Y301 HydrophobicContact CB-CE2 4.48Å; E136-Y301 HydrophobicContact CG-CD2 4.37Å; E136-Y301 HydrophobicContact CG-CE2 3.58Å; G139-Y301 WeakPolarHBondContact O-CD1 3.35Å; G139-Y301 WeakPolarHBondContact O-CE1 3.2Å; F148-Y301 AromaticContact CE2-CD1 3.85Å; F148-Y301 HydrophobicContact CE2-CD1 3.85Å; F148-Y301 HydrophobicContact CE2-CG 4.26Å; F148-Y301 HydrophobicContact CZ-CD1 4.19Å; I223-Y301 PolarHBondContact O-N 2.93Å; I223-Y301 VanDerWaalsContact O-N 3.12Å; R224-Y301 VanDerWaalsContact CD-CD2 3.42Å; D225-Y301 PolarHBondContact N-O 2.86Å; D298-Y301 HydrophobicContact CB-CD1 4.3Å; D298-Y301 HydrophobicContact CB-CE1 3.31Å; D298-Y301 WeakPolarHBondContact CB-OH 3.5Å; D298-Y301 WeakPolarHBondContact OD2-CE1 3.29Å; D298-Y301 PolarHBondContact OD2-OH 3.17Å
302A95.7Very high92.1Very high0 Ų046.5 Ų46.50%027%0.265CS..  trans-147.9124.7177.300000109.5L141 F147 F148 E256 R300L141-A302 HydrophobicContact CD1-CB 3.9Å; F147-A302 HydrophobicContact CD1-CB 3.66Å; F147-A302 HydrophobicContact CE1-CB 3.88Å; F147-A302 HydrophobicContact CG-CB 4.49Å; F148-A302 WeakPolarHBondContact CB-O 3.26Å; F148-A302 WeakPolarHBondContact CD2-O 3.35Å; F148-A302 PolarHBondContact N-O 3.13Å; E256-A302 HydrophobicContact CG-CB 4.08Å; E256-A302 WeakPolarHBondContact OE1-CB 3.33Å; R300-A302 VanDerWaalsContact NH2-CB 3.26Å
303I95.3Very high92.7Very high0 Ų045.1 Ų45.10%026%0.26CS..BIsolated β-bridgetrans-98.7135.1-175.8-78.6-78000110.6D135 Y138 F148 N250 H254 A305D135-I303 HydrophobicContact CB-CD1 3.66Å; D135-I303 HydrophobicContact CB-CG1 3.81Å; Y138-I303 HydrophobicContact CE2-CD1 4.34Å; F148-I303 HydrophobicContact CB-CD1 3.9Å; F148-I303 HydrophobicContact CD2-CD1 4.4Å; N250-I303 HydrophobicContact CB-CD1 4.12Å; N250-I303 HydrophobicContact CB-CG2 3.86Å; H254-I303 PolarHBondContact CE1-O 3.44Å; I303-A305 HydrophobicContact CG2-CB 4.3Å
304D96.8Very high93.3Very high45 Ų4542.6 Ų42.624%0.24125%0.245CC..  trans-89.1106.9161.5-175.9-8.4000109.4F147 F148 T149 N250 S306F147-D304 HydrophobicContact CB-CB 3.84Å; F148-D304 WeakPolarHBondContact O-CB 3.46Å; F148-D304 PolarHBondContact O-N 2.89Å; T149-D304 HydrophobicContact CG2-CB 4.23Å; N250-D304 WeakPolarHBondContact CB-O 3.31Å; D304-S306 WeakPolarHBondContact OD1-CB 3.44Å; D304-S306 PolarHBondContact OD1-N 3.38Å; D304-S306 PolarHBondContact OD1-OG 2.72Å
305A97.2Very high94Very high4 Ų445.9 Ų45.93%0.03327%0.266CS..  trans-94.515.3178.100000113.3H254 I303 K307 I308 A309H254-A305 PolarHBondContact NE2-N 2.81Å; I303-A305 HydrophobicContact CG2-CB 4.3Å; A305-K307 VanDerWaalsContact C-N 3.25Å; A305-K307 PolarHBondContact O-N 2.77Å; A305-I308 HydrophobicContact CB-CG2 4.09Å; A305-I308 WeakPolarHBondContact O-CG2 3.36Å; A305-I308 PolarHBondContact O-N 2.99Å; A305-A309 PolarHBondContact O-N 2.98Å
306S97Very high94.8Very high58 Ų5843.2 Ų43.241%0.40625%0.248SC..Hα-helixtrans-63.5-29.5-175.8-59.50000113.2D304 R310D304-S306 WeakPolarHBondContact OD1-CB 3.44Å; D304-S306 PolarHBondContact OD1-N 3.38Å; D304-S306 PolarHBondContact OD1-OG 2.72Å; S306-R310 VanDerWaalsContact O-CB 3.24Å; S306-R310 WeakPolarHBondContact O-CB 3.48Å; S306-R310 PolarHBondContact O-N 3.35Å
307K98.4Very high95.7Very high27 Ų2746.9 Ų46.912%0.11725%0.25CS..Hα-helixtrans-66-52.2179.3-174.2-175.7-179.4-178.70111.7E150 E247 T248 Y249 A305 A309 R310 E311E150-K307 VanDerWaalsContact CD-CD 3.49Å; E150-K307 HydrophobicContact CG-CD 4.18Å; E150-K307 VanDerWaalsContact OE1-CB 3.25Å; E150-K307 WeakPolarHBondContact OE1-CB 3.49Å; E150-K307 WeakPolarHBondContact OE1-CD 3.37Å; E247-K307 IonicContact OE2-NZ 2.76Å; E247-K307 PolarHBondContact OE2-NZ 3.49Å; T248-K307 WeakPolarHBondContact O-CE 3.32Å; T248-K307 PolarHBondContact O-NZ 3.3Å; Y249-K307 HydrophobicContact CD1-CD 4.12Å; Y249-K307 HydrophobicContact CD1-CG 4.18Å; Y249-K307 HydrophobicContact CE1-CD 4.35Å; Y249-K307 HydrophobicContact CE1-CG 4.33Å; A305-K307 VanDerWaalsContact C-N 3.25Å; A305-K307 PolarHBondContact O-N 2.77Å; K307-A309 VanDerWaalsContact C-N 3.28Å; K307-A309 PolarHBondContact O-N 3.27Å; K307-R310 PolarHBondContact O-N 2.96Å; K307-E311 WeakPolarHBondContact CE-OE1 3.23Å; K307-E311 WeakPolarHBondContact CE-OE2 3.24Å; K307-E311 WeakPolarHBondContact CG-OE1 3.26Å; K307-E311 WeakPolarHBondContact O-CB 3.45Å; K307-E311 PolarHBondContact O-N 2.84Å
308I98.5Very high96.3Very high0 Ų047 Ų470%025%0.25CS..Hα-helixtrans-64.1-36.8-179.7-168.7179.7000111.1A235 V239 Y249 N250 I251 A305 L312 G313 W314A235-I308 HydrophobicContact CB-CD1 4.34Å; V239-I308 HydrophobicContact CG2-CD1 3.75Å; V239-I308 HydrophobicContact CG2-CG1 4.45Å; Y249-I308 HydrophobicContact CD1-CB 4.14Å; Y249-I308 HydrophobicContact CD1-CG1 4.39Å; N250-I308 VanDerWaalsContact O-CG2 3.25Å; N250-I308 WeakPolarHBondContact O-CG2 3.26Å; I251-I308 HydrophobicContact CD1-CD1 4.33Å; I251-I308 HydrophobicContact CG1-CD1 3.99Å; A305-I308 HydrophobicContact CB-CG2 4.09Å; A305-I308 WeakPolarHBondContact O-CG2 3.36Å; A305-I308 PolarHBondContact O-N 2.99Å; I308-L312 HydrophobicContact CG1-CB 4.24Å; I308-L312 HydrophobicContact CG1-CD1 4.01Å; I308-L312 HydrophobicContact CG1-CG 4.31Å; I308-L312 WeakPolarHBondContact O-CA 3.28Å; I308-L312 WeakPolarHBondContact O-CB 3.21Å; I308-L312 PolarHBondContact O-N 3.17Å; I308-G313 PolarHBondContact O-N 3.42Å; I308-W314 HydrophobicContact CD1-CB 4.07Å; I308-W314 HydrophobicContact CD1-CD2 4.16Å; I308-W314 HydrophobicContact CD1-CE3 4.06Å; I308-W314 HydrophobicContact CD1-CG 4.18Å; I308-W314 HydrophobicContact CG1-CB 4.03Å; I308-W314 HydrophobicContact CG1-CE3 4.48Å; I308-W314 HydrophobicContact CG2-CE3 3.73Å; I308-W314 HydrophobicContact CG2-CZ3 4.21Å
309A97.8Very high96.8Very high27 Ų2749.8 Ų49.822%0.22327%0.268CS..Hα-helixtrans-62.9-48.6174.700000112.2A305 K307 G313 W314 L315A305-A309 PolarHBondContact O-N 2.98Å; K307-A309 VanDerWaalsContact C-N 3.28Å; K307-A309 PolarHBondContact O-N 3.27Å; A309-G313 VanDerWaalsContact O-CA 3.22Å; A309-G313 WeakPolarHBondContact O-CA 3.45Å; A309-G313 PolarHBondContact O-N 2.91Å; A309-W314 VanDerWaalsContact CA-O 3.25Å; A309-W314 WeakPolarHBondContact CA-O 3.44Å; A309-W314 WeakPolarHBondContact CB-O 3.11Å; A309-L315 HydrophobicContact CB-CD2 3.71Å; A309-L315 HydrophobicContact CB-CG 4.5Å
310R98Very high97.1Very high170 Ų17045 Ų4564%0.64224%0.243SC*.Hα-helixtrans-67.2-42.1-179.4-179-175.962.9-114.1-4.3112.8S306 K307S306-R310 VanDerWaalsContact O-CB 3.24Å; S306-R310 WeakPolarHBondContact O-CB 3.48Å; S306-R310 PolarHBondContact O-N 3.35Å; K307-R310 PolarHBondContact O-N 2.96Å
311E98.4Very high97.3Very high83 Ų8348.8 Ų48.839%0.38826%0.262SS..Hα-helixtrans-90.6-35.8-170.6-69.7177.5-154.400113.3Y249 K307Y249-E311 HydrophobicContact CE1-CB 4.31Å; Y249-E311 WeakPolarHBondContact CE1-OE2 3.17Å; Y249-E311 PolarHBondContact OH-OE2 3.19Å; K307-E311 WeakPolarHBondContact CE-OE1 3.23Å; K307-E311 WeakPolarHBondContact CE-OE2 3.24Å; K307-E311 WeakPolarHBondContact CG-OE1 3.26Å; K307-E311 WeakPolarHBondContact O-CB 3.45Å; K307-E311 PolarHBondContact O-N 2.84Å
312L98.1Very high97.4Very high34 Ų3450.4 Ų50.418%0.17827%0.273CS..Hα-helixtrans-115.7-4.3-174.8-49.8-172.3000113.4V239 Y249 I308 W314V239-L312 HydrophobicContact CB-CD1 4.42Å; V239-L312 HydrophobicContact CG2-CD1 3.75Å; Y249-L312 HydrophobicContact CD1-CD1 4.39Å; Y249-L312 HydrophobicContact CE1-CD1 4.14Å; Y249-L312 HydrophobicContact CE1-CG 4.15Å; Y249-L312 HydrophobicContact CE2-CD1 4.26Å; I308-L312 HydrophobicContact CG1-CB 4.24Å; I308-L312 HydrophobicContact CG1-CD1 4.01Å; I308-L312 HydrophobicContact CG1-CG 4.31Å; I308-L312 WeakPolarHBondContact O-CA 3.28Å; I308-L312 WeakPolarHBondContact O-CB 3.21Å; I308-L312 PolarHBondContact O-N 3.17Å; L312-W314 PolarHBondContact O-N 3.2Å
313G97.8Very high97.6Very high61 Ų6150.4 Ų50.463%0.62927%0.273SS*.  trans70.414179.200000114.3I308 A309I308-G313 PolarHBondContact O-N 3.42Å; A309-G313 VanDerWaalsContact O-CA 3.22Å; A309-G313 WeakPolarHBondContact O-CA 3.45Å; A309-G313 PolarHBondContact O-N 2.91Å
314W98.1Very high97.7Very high18 Ų1850.4 Ų50.47%0.06827%0.273CS..  trans-82.2133.1179.4178.489.2000111.3L227 D231 A235 I251 I308 A309 L312 P316L227-W314 HydrophobicContact CD1-CH2 3.97Å; L227-W314 HydrophobicContact CD1-CZ2 4.24Å; D231-W314 HydrophobicContact CB-CZ2 4.23Å; D231-W314 WeakPolarHBondContact O-CZ2 3.43Å; D231-W314 PolarHBondContact O-NE1 3.1Å; A235-W314 HydrophobicContact CB-CD2 3.87Å; A235-W314 HydrophobicContact CB-CG 4.19Å; A235-W314 HydrophobicContact CB-CH2 4.42Å; A235-W314 HydrophobicContact CB-CZ2 3.66Å; I251-W314 HydrophobicContact CG2-CE3 4.5Å; I251-W314 HydrophobicContact CG2-CH2 3.47Å; I251-W314 VanDerWaalsContact CG2-CH2 3.47Å; I251-W314 HydrophobicContact CG2-CZ2 3.93Å; I251-W314 HydrophobicContact CG2-CZ3 3.81Å; I308-W314 HydrophobicContact CD1-CB 4.07Å; I308-W314 HydrophobicContact CD1-CD2 4.16Å; I308-W314 HydrophobicContact CD1-CE3 4.06Å; I308-W314 HydrophobicContact CD1-CG 4.18Å; I308-W314 HydrophobicContact CG1-CB 4.03Å; I308-W314 HydrophobicContact CG1-CE3 4.48Å; I308-W314 HydrophobicContact CG2-CE3 3.73Å; I308-W314 HydrophobicContact CG2-CZ3 4.21Å; A309-W314 VanDerWaalsContact CA-O 3.25Å; A309-W314 WeakPolarHBondContact CA-O 3.44Å; A309-W314 WeakPolarHBondContact CB-O 3.11Å; L312-W314 PolarHBondContact O-N 3.2Å; W314-P316 HydrophobicContact CH2-CB 4.34Å; W314-P316 HydrophobicContact CZ2-CB 4.47Å
315L97.2Very high97.8Very high120 Ų12052 Ų5263%0.62828%0.276SS*.  trans-139.2149.2169.3-68.7172.6000108A309A309-L315 HydrophobicContact CB-CD2 3.71Å; A309-L315 HydrophobicContact CB-CG 4.5Å
316P97.1Very high97.8Very high40 Ų4055.9 Ų55.926%0.2629%0.292SS..  trans-62.7141.117327.9-34.2000110.4L227 D231 W314L227-P316 HydrophobicContact CD1-CB 4.38Å; D231-P316 HydrophobicContact CB-CB 4.35Å; D231-P316 WeakPolarHBondContact OD1-CA 3.17Å; W314-P316 HydrophobicContact CH2-CB 4.34Å; W314-P316 HydrophobicContact CZ2-CB 4.47Å
317Q97.3Very high97.9Very high135 Ų13553.1 Ų53.163%0.63127%0.273SS*.SBendtrans-88.7-27.5174.8-59-176.6-900111.5D231 R234D231-Q317 VanDerWaalsContact CG-N 3.31Å; D231-Q317 PolarHBondContact OD1-N 3.46Å; D231-Q317 PolarHBondContact OD2-N 2.93Å; R234-Q317 VanDerWaalsContact CZ-OE1 3.31Å
318E97.7Very high97.9Very high29 Ų2951.8 Ų51.814%0.13627%0.267CS..  trans-95.5142.7177.2-54.8-58.515700112.4Y228 D231 S322 K326Y228-E318 HydrophobicContact CD1-CB 4.37Å; Y228-E318 HydrophobicContact CD1-CG 3.52Å; Y228-E318 HydrophobicContact CE1-CG 4.15Å; Y228-E318 HydrophobicContact CG-CB 4.36Å; Y228-E318 HydrophobicContact CG-CG 3.97Å; D231-E318 WeakPolarHBondContact OD2-CB 3.39Å; D231-E318 WeakPolarHBondContact OD2-CG 3.01Å; D231-E318 PolarHBondContact OD2-N 3.14Å; E318-S322 WeakPolarHBondContact OE2-CB 3.41Å; E318-S322 PolarHBondContact OE2-OG 2.8Å; E318-K326 IonicContact OE1-NZ 3.06Å; E318-K326 PolarHBondContact OE1-NZ 3.2Å; E318-K326 IonicContact OE2-NZ 3.95Å; E318-K326 PolarHBondContact OE2-NZ 3.09Å
319T97.2Very high97.9Very high73 Ų7356 Ų5645%0.44829%0.287SS..  trans-81165.6158.558.80000109.6E321 S322 G323T319-E321 VanDerWaalsContact C-N 3.26Å; T319-E321 PolarHBondContact O-N 3.4Å; T319-S322 PolarHBondContact N-OG 2.67Å; T319-S322 PolarHBondContact O-N 3.14Å; T319-S322 PolarHBondContact O-OG 2.88Å; T319-S322 WeakPolarHBondContact OG1-CB 3.3Å; T319-S322 PolarHBondContact OG1-N 3.35Å; T319-S322 VanDerWaalsContact OG1-N 3.12Å; T319-S322 PolarHBondContact OG1-OG 2.91Å; T319-S322 VanDerWaalsContact OG1-OG 3.07Å; T319-G323 PolarHBondContact O-N 2.9Å
320F97.2Very high97.9Very high0 Ų056.3 Ų56.30%028%0.282CS..Hα-helixtrans-55.6-43.3171.4-179.4-103.8000111.9Y191 W226 N255 R257 V262 T265 M324Y191-F320 HydrophobicContact CE1-CD2 4.41Å; Y191-F320 PolarHBondContact OH-O 3.35Å; W226-F320 HydrophobicContact CB-CD2 3.67Å; W226-F320 HydrophobicContact CB-CE2 3.82Å; W226-F320 AromaticContact CD1-CE2 3.87Å; W226-F320 HydrophobicContact CD2-CE2 4.42Å; W226-F320 HydrophobicContact CG-CD2 4.08Å; W226-F320 AromaticContact CG-CE2 3.74Å; W226-F320 HydrophobicContact CG-CE2 3.74Å; N255-F320 HydrophobicContact CB-CB 4.09Å; R257-F320 HydrophobicContact CG-CD1 4.22Å; R257-F320 HydrophobicContact CG-CD2 4.39Å; R257-F320 HydrophobicContact CG-CE1 4.16Å; R257-F320 HydrophobicContact CG-CE2 4.33Å; R257-F320 HydrophobicContact CG-CG 4.33Å; R257-F320 HydrophobicContact CG-CZ 4.21Å; V262-F320 HydrophobicContact CB-CZ 4.38Å; V262-F320 HydrophobicContact CG1-CZ 4.22Å; V262-F320 HydrophobicContact CG2-CE2 4.34Å; V262-F320 HydrophobicContact CG2-CZ 3.86Å; T265-F320 HydrophobicContact CG2-CE1 4.15Å; F320-M324 HydrophobicContact CE1-CE 4.31Å; F320-M324 HydrophobicContact CE2-CE 3.53Å; F320-M324 HydrophobicContact CZ-CE 3.38Å; F320-M324 WeakPolarHBondContact O-CB 3.4Å; F320-M324 PolarHBondContact O-N 3.24Å
321E97.5Very high97.8Very high95 Ų9548.2 Ų48.244%0.44425%0.252SS..Hα-helixtrans-65.9-45.7-177.4-65.466.8-145.500111.6R257 T319 R325R257-E321 IonicContact CZ-OE1 2.65Å; R257-E321 IonicContact NH2-OE1 3.34Å; R257-E321 PolarHBondContact NH2-OE1 3.47Å; T319-E321 VanDerWaalsContact C-N 3.26Å; T319-E321 PolarHBondContact O-N 3.4Å; E321-R325 WeakPolarHBondContact O-CB 3.11Å; E321-R325 PolarHBondContact O-N 2.74Å; E321-R325 VanDerWaalsContact O-N 3.14Å
322S97.9Very high97.6Very high39 Ų3946.8 Ų46.827%0.27325%0.247SC..Hα-helixtrans-67.9-43.7179.568.80000111.9E318 T319 K326E318-S322 WeakPolarHBondContact OE2-CB 3.41Å; E318-S322 PolarHBondContact OE2-OG 2.8Å; T319-S322 PolarHBondContact N-OG 2.67Å; T319-S322 PolarHBondContact O-N 3.14Å; T319-S322 PolarHBondContact O-OG 2.88Å; T319-S322 WeakPolarHBondContact OG1-CB 3.3Å; T319-S322 PolarHBondContact OG1-N 3.35Å; T319-S322 VanDerWaalsContact OG1-N 3.12Å; T319-S322 PolarHBondContact OG1-OG 2.91Å; T319-S322 VanDerWaalsContact OG1-OG 3.07Å; S322-K326 WeakPolarHBondContact O-CG 3.4Å; S322-K326 PolarHBondContact O-N 3.22Å; S322-K326 VanDerWaalsContact O-N 3.12Å
323G98.2Very high97.5Very high0 Ų049 Ų490%027%0.27CS..Hα-helixtrans-68.2-38.5177.900000112.5Y191 T319 K326 T327Y191-G323 VanDerWaalsContact CE2-C 3.42Å; Y191-G323 VanDerWaalsContact OH-CA 3.26Å; Y191-G323 WeakPolarHBondContact OH-CA 3.34Å; T319-G323 PolarHBondContact O-N 2.9Å; G323-K326 PolarHBondContact O-N 3.2Å; G323-T327 WeakPolarHBondContact O-CB 3.11Å; G323-T327 PolarHBondContact O-N 2.89Å; G323-T327 PolarHBondContact O-OG1 3.37Å
324M98.3Very high97.1Very high0 Ų048.1 Ų48.10%025%0.251CS..Hα-helixtrans-66.3-43.2179.4-173.861.169.500110.9Y191 I201 V262 T265 I266 L269 F320 K326 T327 V328Y191-M324 HydrophobicContact CD2-CE 4.19Å; Y191-M324 HydrophobicContact CE2-CB 4.3Å; Y191-M324 HydrophobicContact CE2-CE 4.23Å; Y191-M324 PolarHBondContact OH-N 3.25Å; I201-M324 HydrophobicContact CD1-CE 3.58Å; I201-M324 HydrophobicContact CG1-CE 3.94Å; I201-M324 HydrophobicContact CG2-CE 4.29Å; I201-M324 HydrophobicContact CG2-SD 3.93Å; V262-M324 HydrophobicContact CG1-CE 3.97Å; T265-M324 HydrophobicContact CG2-CG 4.2Å; I266-M324 HydrophobicContact CD1-SD 4.27Å; I266-M324 HydrophobicContact CG1-CE 4.44Å; I266-M324 HydrophobicContact CG1-CG 4.45Å; I266-M324 HydrophobicContact CG1-SD 3.77Å; L269-M324 HydrophobicContact CD1-CB 4.14Å; L269-M324 HydrophobicContact CD1-CG 3.54Å; F320-M324 HydrophobicContact CE1-CE 4.31Å; F320-M324 HydrophobicContact CE2-CE 3.53Å; F320-M324 HydrophobicContact CZ-CE 3.38Å; F320-M324 WeakPolarHBondContact O-CB 3.4Å; F320-M324 PolarHBondContact O-N 3.24Å; M324-K326 PolarHBondContact O-N 3.07Å; M324-T327 WeakPolarHBondContact O-CB 3.43Å; M324-T327 PolarHBondContact O-N 2.81Å; M324-T327 VanDerWaalsContact O-N 3.14Å; M324-V328 WeakPolarHBondContact O-CG2 3.49Å; M324-V328 PolarHBondContact O-N 3.46Å
325R98.6Very high96.6Very high78 Ų7851.4 Ų51.429%0.29427%0.267SS..Hα-helixtrans-57.8-48173.1179.3173.1-70.4-83.52111.9L269 E272 E321 T327 V328 Q329L269-R325 HydrophobicContact CD2-CB 4.09Å; L269-R325 HydrophobicContact CD2-CG 4.28Å; E272-R325 VanDerWaalsContact CD-NH1 3.3Å; E272-R325 IonicContact OE1-CZ 3.64Å; E272-R325 IonicContact OE1-NH1 3.96Å; E272-R325 PolarHBondContact OE1-NH1 3.45Å; E272-R325 IonicContact OE1-NH2 3.41Å; E272-R325 PolarHBondContact OE1-NH2 2.79Å; E272-R325 IonicContact OE2-CZ 2.84Å; E272-R325 IonicContact OE2-NH1 2.86Å; E272-R325 PolarHBondContact OE2-NH1 3.05Å; E272-R325 IonicContact OE2-NH2 3.63Å; E272-R325 PolarHBondContact OE2-NH2 3.27Å; E321-R325 WeakPolarHBondContact O-CB 3.11Å; E321-R325 PolarHBondContact O-N 2.74Å; E321-R325 VanDerWaalsContact O-N 3.14Å; R325-T327 VanDerWaalsContact C-N 3.26Å; R325-T327 PolarHBondContact O-N 3.01Å; R325-V328 PolarHBondContact O-N 3.24Å; R325-Q329 HydrophobicContact CG-CG 4.48Å; R325-Q329 WeakPolarHBondContact O-CB 3.46Å; R325-Q329 VanDerWaalsContact O-CG 3.29Å; R325-Q329 WeakPolarHBondContact O-CG 3.39Å; R325-Q329 PolarHBondContact O-N 2.7Å
326K98.6Very high95.6Very high86 Ų8651 Ų5137%0.37427%0.274SS..Hα-helixtrans-58.9-38.8175.6-74.1175.7-179.4175.90111.9Y228 E318 S322 G323 M324 W330Y228-K326 HydrophobicContact CE2-CB 4.43Å; E318-K326 IonicContact OE1-NZ 3.06Å; E318-K326 PolarHBondContact OE1-NZ 3.2Å; E318-K326 IonicContact OE2-NZ 3.95Å; E318-K326 PolarHBondContact OE2-NZ 3.09Å; S322-K326 WeakPolarHBondContact O-CG 3.4Å; S322-K326 PolarHBondContact O-N 3.22Å; S322-K326 VanDerWaalsContact O-N 3.12Å; G323-K326 PolarHBondContact O-N 3.2Å; M324-K326 PolarHBondContact O-N 3.07Å; K326-W330 VanDerWaalsContact O-CB 3.31Å; K326-W330 WeakPolarHBondContact O-CB 3.48Å; K326-W330 PolarHBondContact O-N 3.36Å
327T98.5Very high94.8Very high0 Ų050.1 Ų50.10%027%0.266CS..Hα-helixtrans-62.7-53177.2-55.60000111Y191 G192 I201 I205 G323 M324 R325 Q329 W330 Y331Y191-T327 HydrophobicContact CD2-CG2 4.48Å; Y191-T327 WeakPolarHBondContact CD2-OG1 3.26Å; G192-T327 WeakPolarHBondContact CA-OG1 3.47Å; I201-T327 HydrophobicContact CG2-CG2 4.01Å; I205-T327 HydrophobicContact CD1-CG2 4.1Å; G323-T327 WeakPolarHBondContact O-CB 3.11Å; G323-T327 PolarHBondContact O-N 2.89Å; G323-T327 PolarHBondContact O-OG1 3.37Å; M324-T327 WeakPolarHBondContact O-CB 3.43Å; M324-T327 PolarHBondContact O-N 2.81Å; M324-T327 VanDerWaalsContact O-N 3.14Å; R325-T327 VanDerWaalsContact C-N 3.26Å; R325-T327 PolarHBondContact O-N 3.01Å; T327-Q329 PolarHBondContact O-N 3.44Å; T327-W330 WeakPolarHBondContact O-CB 3.41Å; T327-W330 PolarHBondContact O-N 2.79Å; T327-W330 VanDerWaalsContact O-N 3.15Å; T327-Y331 HydrophobicContact CG2-CD2 4.03Å; T327-Y331 HydrophobicContact CG2-CE2 3.84Å; T327-Y331 VanDerWaalsContact O-CD2 3.29Å; T327-Y331 WeakPolarHBondContact O-CD2 3.35Å; T327-Y331 PolarHBondContact O-N 3.3Å
328V98.2Very high94Very high0 Ų045.5 Ų45.50%024%0.242CC..Hα-helixtrans-58.8-47.4178.4175.50000110.8I205 L269 L270 L273 M324 R325 W330 Y331 L332I205-V328 HydrophobicContact CD1-CG2 3.97Å; I205-V328 HydrophobicContact CG1-CG2 4.23Å; L269-V328 HydrophobicContact CB-CG1 4.44Å; L269-V328 HydrophobicContact CB-CG2 4.15Å; L269-V328 HydrophobicContact CD1-CG2 3.97Å; L270-V328 HydrophobicContact CD2-CG1 3.73Å; L270-V328 HydrophobicContact CG-CG1 4.32Å; L273-V328 HydrophobicContact CD1-CB 4.2Å; L273-V328 HydrophobicContact CD1-CG1 3.76Å; M324-V328 WeakPolarHBondContact O-CG2 3.49Å; M324-V328 PolarHBondContact O-N 3.46Å; R325-V328 PolarHBondContact O-N 3.24Å; V328-W330 VanDerWaalsContact C-N 3.29Å; V328-W330 PolarHBondContact O-N 3.25Å; V328-Y331 PolarHBondContact O-N 2.79Å; V328-L332 HydrophobicContact CG1-CD1 3.98Å; V328-L332 HydrophobicContact CG1-CG 4.41Å; V328-L332 WeakPolarHBondContact O-CG 3.33Å; V328-L332 PolarHBondContact O-N 2.95Å
329Q98.2Very high92.7Very high88 Ų8847.6 Ų47.641%0.41125%0.251SS..Hα-helixtrans-57.9-41.6176-73.2175.6-30.500112.2L273 R325 T327 L332 A333L273-Q329 HydrophobicContact CD1-CG 3.81Å; L273-Q329 HydrophobicContact CD2-CG 4.39Å; R325-Q329 HydrophobicContact CG-CG 4.48Å; R325-Q329 WeakPolarHBondContact O-CB 3.46Å; R325-Q329 VanDerWaalsContact O-CG 3.29Å; R325-Q329 WeakPolarHBondContact O-CG 3.39Å; R325-Q329 PolarHBondContact O-N 2.7Å; T327-Q329 PolarHBondContact O-N 3.44Å; Q329-L332 PolarHBondContact O-N 3.05Å; Q329-A333 WeakPolarHBondContact O-CB 3.46Å; Q329-A333 PolarHBondContact O-N 3.12Å
330W97.8Very high90.8Very high33 Ų3346.6 Ų46.613%0.12524%0.241CC..Hα-helixtrans-63.2-45.9178.2-173.192.7000111.6P193 Y194 K326 T327 V328 L332 A333 N334 W337P193-W330 HydrophobicContact CB-CD2 3.68Å; P193-W330 HydrophobicContact CB-CE3 4.34Å; P193-W330 HydrophobicContact CB-CG 3.71Å; P193-W330 HydrophobicContact CB-CZ2 4.32Å; P193-W330 HydrophobicContact CG-CB 4.07Å; P193-W330 HydrophobicContact CG-CD2 4.2Å; P193-W330 HydrophobicContact CG-CG 3.7Å; Y194-W330 AromaticContact CD1-CH2 3.9Å; Y194-W330 HydrophobicContact CD1-CH2 3.9Å; Y194-W330 AromaticContact CD1-CZ2 3.67Å; Y194-W330 HydrophobicContact CD1-CZ2 3.67Å; Y194-W330 HydrophobicContact CD2-CH2 4.46Å; Y194-W330 AromaticContact CD2-CZ2 3.86Å; Y194-W330 HydrophobicContact CD2-CZ2 3.86Å; Y194-W330 HydrophobicContact CE1-CH2 4.2Å; Y194-W330 AromaticContact CE1-CZ2 3.57Å; Y194-W330 HydrophobicContact CE1-CZ2 3.57Å; Y194-W330 AromaticContact CE2-CZ2 3.76Å; Y194-W330 HydrophobicContact CE2-CZ2 3.76Å; Y194-W330 AromaticContact CE2-NE1 3.97Å; Y194-W330 HydrophobicContact CG-CH2 4.04Å; Y194-W330 AromaticContact CG-CZ2 3.82Å; Y194-W330 HydrophobicContact CG-CZ2 3.82Å; Y194-W330 AromaticContact CZ-CZ2 3.62Å; Y194-W330 VanDerWaalsContact N-CH2 3.3Å; K326-W330 VanDerWaalsContact O-CB 3.31Å; K326-W330 WeakPolarHBondContact O-CB 3.48Å; K326-W330 PolarHBondContact O-N 3.36Å; T327-W330 WeakPolarHBondContact O-CB 3.41Å; T327-W330 PolarHBondContact O-N 2.79Å; T327-W330 VanDerWaalsContact O-N 3.15Å; V328-W330 VanDerWaalsContact C-N 3.29Å; V328-W330 PolarHBondContact O-N 3.25Å; W330-L332 PolarHBondContact O-N 3.35Å; W330-A333 PolarHBondContact O-N 3.07Å; W330-N334 VanDerWaalsContact CD1-ND2 3.35Å; W330-N334 HydrophobicContact CD2-CB 4.15Å; W330-N334 HydrophobicContact CE3-CB 4.27Å; W330-N334 HydrophobicContact CH2-CB 4.02Å; W330-N334 HydrophobicContact CZ2-CB 3.88Å; W330-N334 HydrophobicContact CZ3-CB 4.21Å; W330-N334 PolarHBondContact NE1-ND2 3.06Å; W330-N334 VanDerWaalsContact O-CB 3.27Å; W330-N334 WeakPolarHBondContact O-CB 3.22Å; W330-N334 PolarHBondContact O-N 3.42Å; W330-N334 PolarHBondContact O-ND2 2.77Å; W330-W337 HydrophobicContact CH2-CB 4.2Å; W330-W337 AromaticContact CH2-CD2 3.55Å; W330-W337 HydrophobicContact CH2-CD2 3.55Å; W330-W337 AromaticContact CH2-CE3 3.53Å; W330-W337 HydrophobicContact CH2-CE3 3.53Å; W330-W337 AromaticContact CH2-CG 3.83Å; W330-W337 HydrophobicContact CH2-CG 3.83Å; W330-W337 HydrophobicContact CH2-CZ3 4.11Å; W330-W337 HydrophobicContact CZ2-CG 4.48Å; W330-W337 HydrophobicContact CZ3-CD2 4.28Å; W330-W337 AromaticContact CZ3-CE3 3.78Å; W330-W337 HydrophobicContact CZ3-CE3 3.78Å; W330-W337 HydrophobicContact CZ3-CZ3 4.12Å
331Y95.5Very high88.3Confident0 Ų051.5 Ų51.50%027%0.271CS..Hα-helixtrans-61.5-43.7175.2-81.2-81.9000111.2H195 P202 I205 L206 T327 V328 A333 N334 W337 W338H195-Y331 WeakPolarHBondContact CA-OH 3.44Å; H195-Y331 WeakPolarHBondContact CB-OH 3.23Å; H195-Y331 PolarHBondContact N-OH 2.68Å; H195-Y331 PolarHBondContact O-OH 2.74Å; P202-Y331 HydrophobicContact CB-CE1 4.08Å; P202-Y331 HydrophobicContact CB-CE2 4.23Å; P202-Y331 VanDerWaalsContact CB-OH 3.31Å; P202-Y331 WeakPolarHBondContact CB-OH 3.39Å; I205-Y331 HydrophobicContact CD1-CD2 3.75Å; I205-Y331 HydrophobicContact CD1-CE2 4.26Å; I205-Y331 HydrophobicContact CD1-CG 4.41Å; I205-Y331 HydrophobicContact CG2-CG 4.15Å; L206-Y331 HydrophobicContact CD2-CD1 3.8Å; L206-Y331 HydrophobicContact CG-CD1 4.34Å; T327-Y331 HydrophobicContact CG2-CD2 4.03Å; T327-Y331 HydrophobicContact CG2-CE2 3.84Å; T327-Y331 VanDerWaalsContact O-CD2 3.29Å; T327-Y331 WeakPolarHBondContact O-CD2 3.35Å; T327-Y331 PolarHBondContact O-N 3.3Å; V328-Y331 PolarHBondContact O-N 2.79Å; Y331-A333 VanDerWaalsContact C-N 3.3Å; Y331-A333 PolarHBondContact O-N 2.66Å; Y331-N334 PolarHBondContact O-N 2.89Å; Y331-W337 HydrophobicContact CE1-CZ3 4.33Å; Y331-W338 AromaticContact CD1-CD1 3.81Å; Y331-W338 HydrophobicContact CD1-CG 4.21Å; Y331-W338 PolarHBondContact O-NE1 2.74Å
332L95Very high85.6Confident54 Ų5449.8 Ų49.828%0.28327%0.268SS..Hα-helixtrans-60.7-38.7176.9-66.5172.7000112.6L209 L270 L273 A274 V328 Q329 W330L209-L332 HydrophobicContact CD1-CD2 3.8Å; L209-L332 HydrophobicContact CD2-CD2 3.75Å; L209-L332 HydrophobicContact CG-CD2 4.4Å; L270-L332 HydrophobicContact CD2-CD2 4.43Å; L273-L332 HydrophobicContact CB-CD1 3.59Å; A274-L332 HydrophobicContact CB-CD1 4.42Å; A274-L332 HydrophobicContact CB-CD2 4.01Å; V328-L332 HydrophobicContact CG1-CD1 3.98Å; V328-L332 HydrophobicContact CG1-CG 4.41Å; V328-L332 WeakPolarHBondContact O-CG 3.33Å; V328-L332 PolarHBondContact O-N 2.95Å; Q329-L332 PolarHBondContact O-N 3.05Å; W330-L332 PolarHBondContact O-N 3.35Å
333A95Very high83.5Confident81 Ų8153 Ų5367%0.66928%0.277SS*.Hα-helixtrans-81.9-20-178.400000114.5Q329 W330 Y331Q329-A333 WeakPolarHBondContact O-CB 3.46Å; Q329-A333 PolarHBondContact O-N 3.12Å; W330-A333 PolarHBondContact O-N 3.07Å; Y331-A333 VanDerWaalsContact C-N 3.3Å; Y331-A333 PolarHBondContact O-N 2.66Å
334N90.6Very high81.8Confident42 Ų4255.6 Ų55.623%0.22529%0.291CS..  trans-112.941.6-172.9-67.9-92.9000112.3W330 Y331 S336 W337 W338W330-N334 VanDerWaalsContact CD1-ND2 3.35Å; W330-N334 HydrophobicContact CD2-CB 4.15Å; W330-N334 HydrophobicContact CE3-CB 4.27Å; W330-N334 HydrophobicContact CH2-CB 4.02Å; W330-N334 HydrophobicContact CZ2-CB 3.88Å; W330-N334 HydrophobicContact CZ3-CB 4.21Å; W330-N334 PolarHBondContact NE1-ND2 3.06Å; W330-N334 VanDerWaalsContact O-CB 3.27Å; W330-N334 WeakPolarHBondContact O-CB 3.22Å; W330-N334 PolarHBondContact O-N 3.42Å; W330-N334 PolarHBondContact O-ND2 2.77Å; Y331-N334 PolarHBondContact O-N 2.89Å; N334-S336 PolarHBondContact O-N 2.93Å; N334-S336 VanDerWaalsContact O-N 3.15Å; N334-W337 HydrophobicContact CB-CB 4.21Å; N334-W337 WeakPolarHBondContact O-CB 3.46Å; N334-W337 PolarHBondContact O-N 2.91Å; N334-W338 PolarHBondContact O-NE1 3.13Å
335E86.3Confident80Confident86 Ų8664.4 Ų64.440%0.40232%0.324SS..Hα-helixtrans-48.5-41.1176.3-176.3167.9151.900112.6W337 W338 K339E335-W337 PolarHBondContact O-N 3.05Å; E335-W338 HydrophobicContact CB-CZ2 4.23Å; E335-W338 HydrophobicContact CG-CZ2 4.17Å; E335-W338 PolarHBondContact O-N 3Å; E335-K339 VanDerWaalsContact CD-CD 3.48Å; E335-K339 HydrophobicContact CG-CB 3.83Å; E335-K339 HydrophobicContact CG-CD 3.51Å; E335-K339 HydrophobicContact CG-CG 3.63Å; E335-K339 WeakPolarHBondContact O-CA 3.41Å; E335-K339 WeakPolarHBondContact O-CB 3.49Å; E335-K339 PolarHBondContact O-N 3.32Å; E335-K339 WeakPolarHBondContact OE1-CD 3.49Å; E335-K339 VanDerWaalsContact OE1-CE 3.23Å; E335-K339 WeakPolarHBondContact OE1-CE 3.15Å; E335-K339 IonicContact OE1-NZ 3.89Å; E335-K339 PolarHBondContact OE1-NZ 2.92Å; E335-K339 WeakPolarHBondContact OE2-CE 3.35Å; E335-K339 IonicContact OE2-NZ 3.43Å; E335-K339 PolarHBondContact OE2-NZ 3.28Å
336S76.7Confident78.4Confident112 Ų11266.5 Ų66.578%0.78334%0.337SS*.Hα-helixtrans-62-22.9178.156.30000114.4N334N334-S336 PolarHBondContact O-N 2.93Å; N334-S336 VanDerWaalsContact O-N 3.15Å
337W81.5Confident77Confident22 Ų2262.4 Ų62.48%0.08332%0.319CS..Hα-helixtrans-83.7-38.2178.9-174.992.8000112.5N40 Y194 W330 Y331 N334 E335N40-W337 PolarHBondContact ND2-NE1 3.42Å; N40-W337 VanDerWaalsContact ND2-NE1 3.2Å; Y194-W337 VanDerWaalsContact C-CH2 3.4Å; Y194-W337 AromaticContact CD1-CD1 3.95Å; Y194-W337 HydrophobicContact CD1-CD2 4.43Å; Y194-W337 AromaticContact CD1-CE2 3.71Å; Y194-W337 HydrophobicContact CD1-CZ2 4.05Å; Y194-W337 AromaticContact CD1-NE1 3.38Å; Y194-W337 AromaticContact CE1-NE1 3.87Å; Y194-W337 HydrophobicContact CG-CZ2 4.47Å; Y194-W337 VanDerWaalsContact O-CH2 3.3Å; Y194-W337 WeakPolarHBondContact O-CH2 3.42Å; W330-W337 HydrophobicContact CH2-CB 4.2Å; W330-W337 AromaticContact CH2-CD2 3.55Å; W330-W337 HydrophobicContact CH2-CD2 3.55Å; W330-W337 AromaticContact CH2-CE3 3.53Å; W330-W337 HydrophobicContact CH2-CE3 3.53Å; W330-W337 AromaticContact CH2-CG 3.83Å; W330-W337 HydrophobicContact CH2-CG 3.83Å; W330-W337 HydrophobicContact CH2-CZ3 4.11Å; W330-W337 HydrophobicContact CZ2-CG 4.48Å; W330-W337 HydrophobicContact CZ3-CD2 4.28Å; W330-W337 AromaticContact CZ3-CE3 3.78Å; W330-W337 HydrophobicContact CZ3-CE3 3.78Å; W330-W337 HydrophobicContact CZ3-CZ3 4.12Å; Y331-W337 HydrophobicContact CE1-CZ3 4.33Å; N334-W337 HydrophobicContact CB-CB 4.21Å; N334-W337 WeakPolarHBondContact O-CB 3.46Å; N334-W337 PolarHBondContact O-N 2.91Å; E335-W337 PolarHBondContact O-N 3.05Å
338W79.9Confident75.5Confident37 Ų3765.1 Ų65.114%0.1434%0.341CS..Hα-helixtrans-106.8-28.3-176.457.4-94.5000115.3L206 L209 Y331 N334 E335 Q340L206-W338 HydrophobicContact CD1-CB 3.92Å; L206-W338 HydrophobicContact CD1-CD2 4.1Å; L206-W338 HydrophobicContact CD1-CE3 3.8Å; L206-W338 HydrophobicContact CD1-CG 4.17Å; L206-W338 HydrophobicContact CD2-CD2 3.43Å; L206-W338 VanDerWaalsContact CD2-CD2 3.43Å; L206-W338 HydrophobicContact CD2-CE3 3.37Å; L206-W338 HydrophobicContact CD2-CG 3.96Å; L206-W338 HydrophobicContact CD2-CH2 3.98Å; L206-W338 HydrophobicContact CD2-CZ2 4.09Å; L206-W338 HydrophobicContact CD2-CZ3 3.62Å; L206-W338 HydrophobicContact CG-CD2 4.43Å; L206-W338 HydrophobicContact CG-CE3 4.17Å; L209-W338 HydrophobicContact CD1-CH2 4.16Å; L209-W338 HydrophobicContact CD1-CZ2 4.28Å; Y331-W338 AromaticContact CD1-CD1 3.81Å; Y331-W338 HydrophobicContact CD1-CG 4.21Å; Y331-W338 PolarHBondContact O-NE1 2.74Å; N334-W338 PolarHBondContact O-NE1 3.13Å; E335-W338 HydrophobicContact CB-CZ2 4.23Å; E335-W338 HydrophobicContact CG-CZ2 4.17Å; E335-W338 PolarHBondContact O-N 3Å; W338-Q340 PolarHBondContact O-N 3.19Å
339K70.5Confident74.3Confident73 Ų7368.6 Ų68.632%0.31737%0.37SS..  trans-81.6120174.5-76.4-159.2-152.7160.80110.7E335 P342E335-K339 VanDerWaalsContact CD-CD 3.48Å; E335-K339 HydrophobicContact CG-CB 3.83Å; E335-K339 HydrophobicContact CG-CD 3.51Å; E335-K339 HydrophobicContact CG-CG 3.63Å; E335-K339 WeakPolarHBondContact O-CA 3.41Å; E335-K339 WeakPolarHBondContact O-CB 3.49Å; E335-K339 PolarHBondContact O-N 3.32Å; E335-K339 WeakPolarHBondContact OE1-CD 3.49Å; E335-K339 VanDerWaalsContact OE1-CE 3.23Å; E335-K339 WeakPolarHBondContact OE1-CE 3.15Å; E335-K339 IonicContact OE1-NZ 3.89Å; E335-K339 PolarHBondContact OE1-NZ 2.92Å; E335-K339 WeakPolarHBondContact OE2-CE 3.35Å; E335-K339 IonicContact OE2-NZ 3.43Å; E335-K339 PolarHBondContact OE2-NZ 3.28Å; K339-P342 HydrophobicContact CB-CG 4.06Å; K339-P342 HydrophobicContact CD-CG 3.52Å; K339-P342 HydrophobicContact CG-CG 4.29Å
340Q56.7Low73.4Confident53 Ų5369.1 Ų69.125%0.24837%0.368CS..  trans-111.3-25.7178.3-70.7158.418.600112.7W338 R441 F443W338-Q340 PolarHBondContact O-N 3.19Å; Q340-R441 WeakPolarHBondContact CG-O 3.27Å; Q340-R441 VanDerWaalsContact NE2-C 3.27Å; Q340-R441 PolarHBondContact NE2-O 2.99Å; Q340-R441 PolarHBondContact OE1-O 3.41Å; Q340-F443 HydrophobicContact CB-CE2 3.67Å; Q340-F443 HydrophobicContact CB-CZ 4.12Å; Q340-F443 HydrophobicContact CG-CE2 4.12Å
341V44.9Very low72.6Confident102 Ų10273.4 Ų73.462%0.61840%0.399SS*.Hα-helixtrans-83.6-37.1-172.5-177.20000115.2K343 L344V341-K343 PolarHBondContact O-N 3.23Å; V341-L344 PolarHBondContact O-N 3.15Å
342P41.8Very low72.4Confident59 Ų5981 Ų8138%0.38343%0.434SS..Hα-helixtrans-60.7-29.4179.5-22.132000113.5K339 L344 R345 H346K339-P342 HydrophobicContact CB-CG 4.06Å; K339-P342 HydrophobicContact CD-CG 3.52Å; K339-P342 HydrophobicContact CG-CG 4.29Å; P342-L344 PolarHBondContact O-N 3.22Å; P342-R345 PolarHBondContact O-N 3.35Å; P342-H346 PolarHBondContact O-N 3.15Å; P342-H346 VanDerWaalsContact O-N 3.1Å
343K53.8Low72.3Confident106 Ų10678.8 Ų78.846%0.46143%0.425SS..Hα-helixtrans-56.8-49176.9-98.4-177166-1680111.8V341 R345 H346 V347 E437V341-K343 PolarHBondContact O-N 3.23Å; K343-R345 PolarHBondContact O-N 3.44Å; K343-H346 PolarHBondContact O-N 3.33Å; K343-V347 VanDerWaalsContact O-CB 3.3Å; K343-V347 WeakPolarHBondContact O-CB 2.91Å; K343-V347 WeakPolarHBondContact O-CG2 3.41Å; K343-V347 PolarHBondContact O-N 3.11Å; K343-E437 WeakPolarHBondContact CD-OE2 3.31Å; K343-E437 WeakPolarHBondContact CE-OE2 2.98Å; K343-E437 IonicContact NZ-OE2 3.86Å; K343-E437 PolarHBondContact NZ-OE2 3.33Å
344L60.8Low72.2Confident55 Ų5575 Ų7529%0.28839%0.394SS..Hα-helixtrans-65.1-37.8-177.2-73.3172.9000113.6V341 P342 A348 F357 L397 F443V341-L344 PolarHBondContact O-N 3.15Å; P342-L344 PolarHBondContact O-N 3.22Å; L344-A348 VanDerWaalsContact O-CB 3.25Å; L344-A348 WeakPolarHBondContact O-CB 3.47Å; L344-A348 PolarHBondContact O-N 3.39Å; L344-F357 HydrophobicContact CD2-CD1 4.28Å; L344-F357 HydrophobicContact CD2-CE1 3.35Å; L344-F357 HydrophobicContact CD2-CZ 3.5Å; L344-F357 VanDerWaalsContact CD2-CZ 3.5Å; L344-L397 HydrophobicContact CD2-CD2 4.3Å; L344-F443 HydrophobicContact CD1-CE1 3.81Å; L344-F443 HydrophobicContact CD1-CZ 4.05Å
345R62Low72.3Confident185 Ų18573.2 Ų73.270%0.69838%0.384SS*.Hα-helixtrans-69.2-42.8176.7-78.6-173.1176.2177.7-2.4112.3P342 K343 V347 A348 A349P342-R345 PolarHBondContact O-N 3.35Å; K343-R345 PolarHBondContact O-N 3.44Å; R345-V347 VanDerWaalsContact C-N 3.3Å; R345-A348 PolarHBondContact O-N 2.93Å; R345-A349 WeakPolarHBondContact O-CB 3.41Å; R345-A349 PolarHBondContact O-N 3.12Å; R345-A349 VanDerWaalsContact O-N 3.13Å
346H63.3Low72.6Confident122 Ų12269.1 Ų69.157%0.56537%0.365SS*.Hα-helixtrans-62.8-41.1176.2179.468.6000111.2P342 K343 A349P342-H346 PolarHBondContact O-N 3.15Å; P342-H346 VanDerWaalsContact O-N 3.1Å; K343-H346 PolarHBondContact O-N 3.33Å; H346-A349 PolarHBondContact O-N 3.06Å
347V69.5Low73.3Confident1 Ų163.9 Ų63.91%0.00633%0.328CS..Hα-helixtrans-64.9-46.9176.9170.60000111.6K343 R345 A349 R350 T355 F357 F399 E437K343-V347 VanDerWaalsContact O-CB 3.3Å; K343-V347 WeakPolarHBondContact O-CB 2.91Å; K343-V347 WeakPolarHBondContact O-CG2 3.41Å; K343-V347 PolarHBondContact O-N 3.11Å; R345-V347 VanDerWaalsContact C-N 3.3Å; V347-A349 PolarHBondContact O-N 3.33Å; V347-R350 WeakPolarHBondContact O-CB 3.34Å; V347-R350 PolarHBondContact O-N 3.37Å; V347-R350 VanDerWaalsContact O-N 3.14Å; V347-T355 HydrophobicContact CG1-CG2 3.4Å; V347-T355 VanDerWaalsContact CG1-CG2 3.4Å; V347-T355 HydrophobicContact CG2-CG2 4.45Å; V347-F357 HydrophobicContact CB-CZ 4.45Å; V347-F357 HydrophobicContact CG1-CE1 4.42Å; V347-F357 HydrophobicContact CG1-CE2 4.42Å; V347-F357 HydrophobicContact CG1-CZ 3.68Å; V347-F399 HydrophobicContact CG1-CD2 3.82Å; V347-F399 HydrophobicContact CG1-CE2 4.21Å; V347-E437 HydrophobicContact CG2-CG 3.52Å
348A68.5Low73.7Confident56 Ų5662.9 Ų62.946%0.46332%0.324SS..Hα-helixtrans-65.9-19.2178.600000113.6L344 R345 F399L344-A348 VanDerWaalsContact O-CB 3.25Å; L344-A348 WeakPolarHBondContact O-CB 3.47Å; L344-A348 PolarHBondContact O-N 3.39Å; R345-A348 PolarHBondContact O-N 2.93Å; A348-F399 HydrophobicContact CB-CE1 3.96Å; A348-F399 HydrophobicContact CB-CZ 4.13Å
349A72.8Confident74.1Confident73 Ų7364 Ų6460%0.60333%0.329SS*.THydrogen-bonded Turntrans-83.8-7.8176.700000113.6R345 H346 V347 T351R345-A349 WeakPolarHBondContact O-CB 3.41Å; R345-A349 PolarHBondContact O-N 3.12Å; R345-A349 VanDerWaalsContact O-N 3.13Å; H346-A349 PolarHBondContact O-N 3.06Å; V347-A349 PolarHBondContact O-N 3.33Å; A349-T351 PolarHBondContact O-N 2.97Å
350R77.8Confident74.9Confident99 Ų9964.7 Ų64.737%0.37433%0.333SS..  trans-69.4129.9177.5-67.2-177.2175.7-164.93.5110.2V347 T435V347-R350 WeakPolarHBondContact O-CB 3.34Å; V347-R350 PolarHBondContact O-N 3.37Å; V347-R350 VanDerWaalsContact O-N 3.14Å; R350-T435 VanDerWaalsContact NH1-CG2 3.3Å; R350-T435 PolarHBondContact NH1-OG1 3.06Å
351T82.8Confident76.1Confident124 Ų12462.8 Ų62.876%0.76133%0.325SS*.  trans-98.6-9.5-178540000113.6A349A349-T351 PolarHBondContact O-N 2.97Å
352E89.6Confident77.6Confident158 Ų15863.5 Ų63.574%0.73832%0.323SS*.SBendtrans-133.3146.4-175.4-64-172.5175.800111.3
353G93.2Very high79.7Confident9 Ų962.9 Ų62.99%0.09332%0.317CS..SBendtrans80.1-160.5178.100000113.9D401 N433G353-D401 PolarHBondContact N-OD2 3.16Å; G353-D401 PolarHBondContact O-N 3.49Å; G353-N433 WeakPolarHBondContact CA-O 3.4Å
354A93.7Very high81.4Confident2 Ų258.1 Ų58.12%0.01730%0.296CS..EExtended strand (participates in β ladder)trans-124.5143.7178.200000110.7F399 Y400 Y428 N433 L434 T435A354-F399 CarbonylContact C-O 3.43Å; A354-F399 VanDerWaalsContact CA-O 3.25Å; A354-F399 WeakPolarHBondContact CA-O 3.48Å; A354-Y400 HydrophobicContact CB-CD1 3.54Å; A354-Y400 HydrophobicContact CB-CE1 3.9Å; A354-Y428 HydrophobicContact CB-CD1 3.54Å; A354-Y428 HydrophobicContact CB-CD2 3.61Å; A354-Y428 HydrophobicContact CB-CE1 3.94Å; A354-Y428 HydrophobicContact CB-CE2 3.98Å; A354-Y428 HydrophobicContact CB-CG 3.36Å; A354-N433 PolarHBondContact N-O 3.33Å; A354-L434 HydrophobicContact CB-CD1 3.7Å; A354-T435 PolarHBondContact O-N 3.41Å
355T92.7Very high82.8Confident4 Ų459.9 Ų59.93%0.02530%0.303CS..EExtended strand (participates in β ladder)trans-123.8126.8166.5-520000110.2V347 F357 F399 T435 E437V347-T355 HydrophobicContact CG1-CG2 3.4Å; V347-T355 VanDerWaalsContact CG1-CG2 3.4Å; V347-T355 HydrophobicContact CG2-CG2 4.45Å; T355-F357 HydrophobicContact CG2-CE2 4.47Å; T355-F357 HydrophobicContact CG2-CZ 4.41Å; T355-F399 PolarHBondContact N-O 2.95Å; T355-F399 PolarHBondContact O-N 3.45Å; T355-T435 VanDerWaalsContact CA-O 3.3Å; T355-T435 WeakPolarHBondContact CA-O 3.39Å; T355-T435 HydrophobicContact CG2-CG2 4.4Å; T355-E437 HydrophobicContact CG2-CB 4.23Å; T355-E437 HydrophobicContact CG2-CG 3.59Å
356V92.6Very high84Confident0 Ų056.6 Ų56.60%029%0.291CS..EExtended strand (participates in β ladder)trans-116.3157.9174-52.30000108.8V394 Y398 N425 L434 T435 V436 E437V356-V394 HydrophobicContact CB-CG1 4.08Å; V356-Y398 HydrophobicContact CB-CD1 4.31Å; V356-Y398 HydrophobicContact CG1-CD1 3.89Å; V356-Y398 HydrophobicContact CG1-CE1 4.33Å; V356-N425 HydrophobicContact CG1-CB 4.5Å; V356-N425 VanDerWaalsContact CG1-OD1 3.25Å; V356-N425 WeakPolarHBondContact CG1-OD1 3.08Å; V356-L434 HydrophobicContact CG1-CD1 3.68Å; V356-L434 HydrophobicContact CG2-CD1 4.21Å; V356-L434 HydrophobicContact CG2-CD2 4.47Å; V356-T435 PolarHBondContact N-O 3.45Å; V356-V436 HydrophobicContact CG2-CB 4.19Å; V356-V436 HydrophobicContact CG2-CG1 4.05Å; V356-V436 HydrophobicContact CG2-CG2 3.69Å; V356-V436 CarbonylContact O-C 3.53Å; V356-V436 WeakPolarHBondContact O-CA 3.5Å; V356-E437 PolarHBondContact O-N 2.98Å
357F91Very high85.3Confident2 Ų251.6 Ų51.61%0.00927%0.268CS..EExtended strand (participates in β ladder)trans-114.1125.9-178.2-66.1-92.8000110.8L344 V347 T355 V394 T395 L397 F399 E437 L439L344-F357 HydrophobicContact CD2-CD1 4.28Å; L344-F357 HydrophobicContact CD2-CE1 3.35Å; L344-F357 HydrophobicContact CD2-CZ 3.5Å; L344-F357 VanDerWaalsContact CD2-CZ 3.5Å; V347-F357 HydrophobicContact CB-CZ 4.45Å; V347-F357 HydrophobicContact CG1-CE1 4.42Å; V347-F357 HydrophobicContact CG1-CE2 4.42Å; V347-F357 HydrophobicContact CG1-CZ 3.68Å; T355-F357 HydrophobicContact CG2-CE2 4.47Å; T355-F357 HydrophobicContact CG2-CZ 4.41Å; F357-V394 WeakPolarHBondContact O-CA 3.5Å; F357-T395 HydrophobicContact CB-CG2 4.46Å; F357-T395 WeakPolarHBondContact CB-OG1 3.43Å; F357-T395 WeakPolarHBondContact O-CG2 3.09Å; F357-T395 PolarHBondContact O-N 2.88Å; F357-T395 PolarHBondContact O-OG1 3.46Å; F357-L397 HydrophobicContact CD2-CB 3.75Å; F357-L397 HydrophobicContact CD2-CD2 3.58Å; F357-L397 HydrophobicContact CD2-CG 3.56Å; F357-L397 WeakPolarHBondContact CD2-O 3.25Å; F357-L397 HydrophobicContact CE1-CD2 4.49Å; F357-L397 HydrophobicContact CE2-CB 4.3Å; F357-L397 HydrophobicContact CE2-CD2 3.5Å; F357-L397 VanDerWaalsContact CE2-CD2 3.5Å; F357-L397 HydrophobicContact CE2-CG 3.58Å; F357-L397 HydrophobicContact CG-CB 4.45Å; F357-L397 HydrophobicContact CG-CD2 4.11Å; F357-L397 HydrophobicContact CG-CG 4.45Å; F357-L397 HydrophobicContact CZ-CD2 3.98Å; F357-F399 AromaticContact CE2-CD2 3.56Å; F357-F399 HydrophobicContact CE2-CD2 3.56Å; F357-F399 AromaticContact CE2-CE2 3.51Å; F357-F399 HydrophobicContact CE2-CE2 3.51Å; F357-F399 AromaticContact CZ-CD2 3.92Å; F357-F399 HydrophobicContact CZ-CD2 3.92Å; F357-F399 AromaticContact CZ-CE2 3.65Å; F357-F399 HydrophobicContact CZ-CE2 3.65Å; F357-E437 CarbonylContact C-O 3.6Å; F357-E437 WeakPolarHBondContact CA-O 3.47Å; F357-E437 HydrophobicContact CD1-CB 3.49Å; F357-E437 VanDerWaalsContact CD1-CB 3.49Å; F357-E437 HydrophobicContact CE1-CB 3.56Å; F357-E437 HydrophobicContact CE1-CG 4.21Å; F357-E437 HydrophobicContact CG-CB 4.35Å; F357-E437 HydrophobicContact CZ-CB 4.47Å; F357-L439 HydrophobicContact CB-CD1 4.16Å; F357-L439 HydrophobicContact CB-CD2 4.41Å; F357-L439 HydrophobicContact CB-CG 4.02Å; F357-L439 HydrophobicContact CD1-CD2 3.59Å; F357-L439 HydrophobicContact CD1-CG 4.13Å; F357-L439 HydrophobicContact CE1-CD2 4.34Å; F357-L439 HydrophobicContact CG-CD2 4.35Å; F357-L439 HydrophobicContact CG-CG 4.48Å
358G90.1Very high86.4Confident0 Ų052 Ų520%027%0.271CS..EExtended strand (participates in β ladder)trans-95.3133.7176.800000110.9A393 E437 L438 L439G358-A393 CarbonylContact C-O 3.47Å; G358-A393 WeakPolarHBondContact CA-O 3.14Å; G358-E437 PolarHBondContact N-O 3.35Å; G358-L438 WeakPolarHBondContact O-CA 3.3Å; G358-L439 PolarHBondContact O-N 3Å
359Y87.3Confident87.6Confident60 Ų6049.4 Ų49.424%0.23525%0.25CC..EExtended strand (participates in β ladder)trans-129.3136.8171.9-172.3-91.3000109.1V361 A393 T395 L439 W445Y359-V361 HydrophobicContact CD1-CG1 4.05Å; Y359-V361 PolarHBondContact O-N 3.44Å; Y359-A393 PolarHBondContact N-O 3.02Å; Y359-A393 PolarHBondContact O-N 3.07Å; Y359-T395 HydrophobicContact CG-CG2 4.43Å; Y359-L439 HydrophobicContact CD2-CB 3.91Å; Y359-W445 HydrophobicContact CD1-CB 3.9Å; Y359-W445 HydrophobicContact CD1-CD2 4.44Å; Y359-W445 AromaticContact CD1-CE3 3.97Å; Y359-W445 HydrophobicContact CD1-CE3 3.97Å; Y359-W445 HydrophobicContact CD1-CG 4.46Å; Y359-W445 HydrophobicContact CD2-CB 3.79Å; Y359-W445 HydrophobicContact CE1-CB 4.05Å; Y359-W445 HydrophobicContact CE1-CE3 4.44Å; Y359-W445 HydrophobicContact CE2-CB 3.93Å; Y359-W445 HydrophobicContact CG-CB 3.76Å; Y359-W445 HydrophobicContact CG-CG 4.37Å
360Q87.2Confident88.6Confident89 Ų8945.9 Ų45.942%0.41622%0.221SC..EExtended strand (participates in β ladder)trans-73.9127.4179.1-75.3-171.5-9.100111N391 W392Q360-N391 WeakPolarHBondContact CA-O 3.46Å; Q360-W392 HydrophobicContact CG-CD2 3.67Å; Q360-W392 HydrophobicContact CG-CE3 3.63Å; Q360-W392 HydrophobicContact CG-CG 4.48Å; Q360-W392 HydrophobicContact CG-CH2 3.61Å; Q360-W392 HydrophobicContact CG-CZ2 3.63Å; Q360-W392 HydrophobicContact CG-CZ3 3.61Å
361V83.1Confident89.4Confident13 Ų1343.7 Ų43.78%0.07922%0.215CC..  trans-126.6163.2177.9-61.80000110.3Y359 P364 F367 N391 A393 W445Y359-V361 HydrophobicContact CD1-CG1 4.05Å; Y359-V361 PolarHBondContact O-N 3.44Å; V361-P364 HydrophobicContact CG2-CB 4.07Å; V361-F367 HydrophobicContact CB-CD2 4.47Å; V361-F367 HydrophobicContact CB-CE2 4.27Å; V361-F367 HydrophobicContact CG1-CD2 4.38Å; V361-F367 HydrophobicContact CG1-CE2 4.17Å; V361-F367 HydrophobicContact CG2-CD2 3.94Å; V361-F367 HydrophobicContact CG2-CE2 4.2Å; V361-N391 PolarHBondContact N-O 2.88Å; V361-N391 WeakPolarHBondContact O-CB 3.49Å; V361-A393 HydrophobicContact CB-CB 4.27Å; V361-A393 HydrophobicContact CG1-CB 3.69Å; V361-A393 HydrophobicContact CG2-CB 3.54Å; V361-W445 HydrophobicContact CG1-CE3 4.1Å; V361-W445 HydrophobicContact CG1-CZ3 3.67Å
362M77.1Confident89.7Confident116 Ų11639.3 Ų39.357%0.57119%0.186SC*.SBendtrans-97.9-18.1178.1-67.6-59.3-61.800113.4K57 P364K57-M362 HydrophobicContact CB-CE 4.31Å; K57-M362 HydrophobicContact CD-CE 3.88Å; K57-M362 HydrophobicContact CD-CG 3.75Å; K57-M362 HydrophobicContact CD-SD 3.33Å; K57-M362 WeakPolarHBondContact CD-SD 3.49Å; M362-P364 WeakPolarHBondContact O-CD 3.22Å
363D84.1Confident89.7Confident47 Ų4734.1 Ų34.125%0.25116%0.163SC..  trans-116.455.1-179.451.2-15.4000111.4E365 R366D363-E365 WeakPolarHBondContact CA-OE2 3.33Å; D363-E365 PolarHBondContact O-N 3.07Å; D363-R366 HydrophobicContact CB-CG 4.43Å; D363-R366 WeakPolarHBondContact O-CB 3.48Å; D363-R366 PolarHBondContact O-N 3.27Å; D363-R366 VanDerWaalsContact O-N 3.08Å; D363-R366 WeakPolarHBondContact OD2-CD 3.49Å; D363-R366 IonicContact OD2-CZ 2.71Å; D363-R366 IonicContact OD2-NE 3Å; D363-R366 IonicContact OD2-NH1 3.52Å; D363-R366 PolarHBondContact OD2-NH1 3.39Å
364P90.1Very high89.1Confident5 Ų541.5 Ų41.53%0.03220%0.2CC..G310 helixtrans-58.1-22.6-174.917.9-25.7000114.2V361 M362 R366 F367 V369 P388 S390V361-P364 HydrophobicContact CG2-CB 4.07Å; M362-P364 WeakPolarHBondContact O-CD 3.22Å; P364-R366 PolarHBondContact O-N 2.9Å; P364-R366 VanDerWaalsContact O-N 3.08Å; P364-F367 PolarHBondContact O-N 2.98Å; P364-F367 VanDerWaalsContact O-N 3.13Å; P364-V369 HydrophobicContact CB-CG1 3.62Å; P364-V369 VanDerWaalsContact O-CG1 3.3Å; P364-V369 WeakPolarHBondContact O-CG1 3.29Å; P364-P388 HydrophobicContact CB-CB 3.71Å; P364-P388 HydrophobicContact CB-CG 3.91Å; P364-P388 HydrophobicContact CG-CB 3.75Å; P364-P388 HydrophobicContact CG-CG 3.78Å; P364-S390 WeakPolarHBondContact CB-O 3.14Å
365E90.3Very high88.4Confident93 Ų9347 Ų4744%0.43523%0.229SC..G310 helixtrans-61.1-15.3175.768.7-82.6-169.700114.1D363 K384 P385 P388D363-E365 WeakPolarHBondContact CA-OE2 3.33Å; D363-E365 PolarHBondContact O-N 3.07Å; E365-K384 CarbonylContact O-C 3.55Å; E365-K384 VanDerWaalsContact O-CA 3.29Å; E365-K384 WeakPolarHBondContact O-CA 3.29Å; E365-K384 WeakPolarHBondContact O-CB 3.26Å; E365-P385 WeakPolarHBondContact CA-O 3.49Å; E365-P385 VanDerWaalsContact CB-O 3.29Å; E365-P385 WeakPolarHBondContact CB-O 3.48Å; E365-P388 HydrophobicContact CB-CG 4.05Å
366R87.5Confident87.7Confident115 Ų11553 Ų5343%0.43426%0.255SS..G310 helixtrans-87.3-10.3178.2-67.9175.462.2-169.2-5114.1D363 P364 K384 D447D363-R366 HydrophobicContact CB-CG 4.43Å; D363-R366 WeakPolarHBondContact O-CB 3.48Å; D363-R366 PolarHBondContact O-N 3.27Å; D363-R366 VanDerWaalsContact O-N 3.08Å; D363-R366 WeakPolarHBondContact OD2-CD 3.49Å; D363-R366 IonicContact OD2-CZ 2.71Å; D363-R366 IonicContact OD2-NE 3Å; D363-R366 IonicContact OD2-NH1 3.52Å; D363-R366 PolarHBondContact OD2-NH1 3.39Å; P364-R366 PolarHBondContact O-N 2.9Å; P364-R366 VanDerWaalsContact O-N 3.08Å; R366-K384 VanDerWaalsContact O-CE 3.22Å; R366-K384 WeakPolarHBondContact O-CE 3.27Å; R366-K384 WeakPolarHBondContact O-CG 3.35Å; R366-D447 IonicContact NH2-OD2 3.14Å; R366-D447 PolarHBondContact NH2-OD2 3.31Å
367F90.7Very high87.3Confident18 Ų1861.2 Ų61.28%0.07929%0.286CS..SBendtrans-131.2170.2-168.8-48.8-65.8000112.5V361 P364 K384 A393 W445 D447V361-F367 HydrophobicContact CB-CD2 4.47Å; V361-F367 HydrophobicContact CB-CE2 4.27Å; V361-F367 HydrophobicContact CG1-CD2 4.38Å; V361-F367 HydrophobicContact CG1-CE2 4.17Å; V361-F367 HydrophobicContact CG2-CD2 3.94Å; V361-F367 HydrophobicContact CG2-CE2 4.2Å; P364-F367 PolarHBondContact O-N 2.98Å; P364-F367 VanDerWaalsContact O-N 3.13Å; F367-K384 VanDerWaalsContact O-CA 3.3Å; F367-K384 WeakPolarHBondContact O-CA 3.28Å; F367-K384 PolarHBondContact O-N 3.33Å; F367-A393 HydrophobicContact CB-CB 3.69Å; F367-A393 HydrophobicContact CD2-CB 3.77Å; F367-A393 HydrophobicContact CG-CB 3.89Å; F367-W445 AromaticContact CD1-CH2 3.67Å; F367-W445 HydrophobicContact CD1-CH2 3.67Å; F367-W445 HydrophobicContact CD1-CZ2 4.43Å; F367-W445 HydrophobicContact CD2-CH2 4.33Å; F367-W445 AromaticContact CE1-CH2 3.43Å; F367-W445 HydrophobicContact CE1-CH2 3.43Å; F367-W445 VanDerWaalsContact CE1-CH2 3.43Å; F367-W445 HydrophobicContact CE1-CZ2 4.37Å; F367-W445 HydrophobicContact CE1-CZ3 4.17Å; F367-W445 HydrophobicContact CE2-CH2 4.08Å; F367-W445 HydrophobicContact CE2-CZ3 4.14Å; F367-W445 HydrophobicContact CG-CH2 4.11Å; F367-W445 AromaticContact CZ-CH2 3.63Å; F367-W445 HydrophobicContact CZ-CH2 3.63Å; F367-W445 AromaticContact CZ-CZ3 3.88Å; F367-W445 HydrophobicContact CZ-CZ3 3.88Å; F367-D447 HydrophobicContact CE1-CB 3.9Å; F367-D447 HydrophobicContact CZ-CB 4.25Å
368G91.6Very high87.3Confident8 Ų862.1 Ų62.18%0.08229%0.294CS..EExtended strand (participates in β ladder)trans-68.8128.516000000108.9E382 A393 V394G368-E382 CarbonylContact C-O 3.57Å; G368-E382 VanDerWaalsContact CA-O 3.28Å; G368-E382 WeakPolarHBondContact CA-O 3.4Å; G368-A393 CarbonylContact O-C 3.52Å; G368-A393 WeakPolarHBondContact O-CA 3.36Å; G368-V394 PolarHBondContact O-N 3.29Å
369V93.7Very high87.5Confident2 Ų266.1 Ų66.11%0.01232%0.315CS..EExtended strand (participates in β ladder)trans-115.1147.9-178-640000111.3P364 L381 E382 P385 W392P364-V369 HydrophobicContact CB-CG1 3.62Å; P364-V369 VanDerWaalsContact O-CG1 3.3Å; P364-V369 WeakPolarHBondContact O-CG1 3.29Å; V369-L381 CarbonylContact O-C 3.53Å; V369-L381 WeakPolarHBondContact O-CA 3.28Å; V369-E382 HydrophobicContact CG2-CB 4.02Å; V369-E382 PolarHBondContact N-O 2.79Å; V369-E382 PolarHBondContact O-N 3.07Å; V369-P385 HydrophobicContact CG2-CG 3.55Å; V369-W392 CarbonylContact C-O 3.51Å; V369-W392 VanDerWaalsContact CA-O 3.27Å; V369-W392 WeakPolarHBondContact CA-O 3.25Å
370V93.8Very high87.8Confident0 Ų064.1 Ų64.10%031%0.309CS..EExtended strand (participates in β ladder)trans-115123.117756.10000111.5F372 A378 L381 S390 W392 V394 V436V370-F372 HydrophobicContact CB-CE2 4.45Å; V370-F372 HydrophobicContact CB-CZ 4.37Å; V370-F372 HydrophobicContact CG1-CE2 3.62Å; V370-F372 HydrophobicContact CG1-CZ 3.6Å; V370-F372 HydrophobicContact CG2-CE1 4.12Å; V370-F372 HydrophobicContact CG2-CE2 4.23Å; V370-F372 HydrophobicContact CG2-CZ 3.87Å; V370-A378 HydrophobicContact CG2-CB 3.74Å; V370-L381 HydrophobicContact CB-CD2 4.02Å; V370-L381 HydrophobicContact CB-CG 4.25Å; V370-L381 HydrophobicContact CG2-CD2 4.33Å; V370-L381 HydrophobicContact CG2-CG 4.24Å; V370-S390 VanDerWaalsContact O-CB 3.29Å; V370-S390 WeakPolarHBondContact O-CB 3.38Å; V370-S390 PolarHBondContact O-OG 2.86Å; V370-W392 HydrophobicContact CG1-CB 3.7Å; V370-W392 PolarHBondContact N-O 3.44Å; V370-V394 HydrophobicContact CB-CG2 4.45Å; V370-V394 HydrophobicContact CG1-CG2 4.45Å; V370-V436 HydrophobicContact CG1-CG1 4.24Å; V370-V436 HydrophobicContact CG2-CG2 4.02Å
371E94.3Very high88.1Confident52 Ų5260.4 Ų60.424%0.24329%0.292CS..EExtended strand (participates in β ladder)trans-87.2142.2173.6-170.1-174.6-166.700109.9A378 I379 S380 K389E371-A378 CarbonylContact O-C 3.48Å; E371-A378 WeakPolarHBondContact O-CA 3.36Å; E371-I379 HydrophobicContact CB-CG1 3.96Å; E371-I379 HydrophobicContact CG-CD1 3.81Å; E371-I379 HydrophobicContact CG-CG1 3.74Å; E371-I379 PolarHBondContact O-N 2.75Å; E371-S380 VanDerWaalsContact CB-OG 3.24Å; E371-S380 WeakPolarHBondContact CB-OG 3.27Å; E371-S380 PolarHBondContact N-O 3.11Å; E371-S380 PolarHBondContact OE2-OG 3.24Å; E371-K389 HydrophobicContact CB-CB 4.34Å; E371-K389 HydrophobicContact CG-CB 4.11Å; E371-K389 VanDerWaalsContact OE2-CD 3.27Å; E371-K389 WeakPolarHBondContact OE2-CD 3.16Å; E371-K389 IonicContact OE2-NZ 3.43Å
372F90.6Very high88.5Confident33 Ų3362.4 Ų62.415%0.14530%0.301CS..EExtended strand (participates in β ladder)trans-120.6149.8178.3-63.6-80000111.4V370 F376 R377 A378 W392 V436 L438V370-F372 HydrophobicContact CB-CE2 4.45Å; V370-F372 HydrophobicContact CB-CZ 4.37Å; V370-F372 HydrophobicContact CG1-CE2 3.62Å; V370-F372 HydrophobicContact CG1-CZ 3.6Å; V370-F372 HydrophobicContact CG2-CE1 4.12Å; V370-F372 HydrophobicContact CG2-CE2 4.23Å; V370-F372 HydrophobicContact CG2-CZ 3.87Å; F372-F376 WeakPolarHBondContact CD1-O 3.3Å; F372-R377 CarbonylContact C-O 3.6Å; F372-R377 VanDerWaalsContact CA-O 3.24Å; F372-R377 WeakPolarHBondContact CA-O 3.48Å; F372-A378 HydrophobicContact CD1-CB 4.38Å; F372-A378 HydrophobicContact CE1-CB 4.22Å; F372-W392 AromaticContact CD2-CD1 3.75Å; F372-W392 HydrophobicContact CD2-CG 4.24Å; F372-W392 HydrophobicContact CE2-CB 3.89Å; F372-W392 AromaticContact CE2-CD1 3.61Å; F372-W392 HydrophobicContact CE2-CD2 4.17Å; F372-W392 AromaticContact CE2-CG 3.64Å; F372-W392 HydrophobicContact CE2-CG 3.64Å; F372-V436 HydrophobicContact CE1-CB 3.94Å; F372-V436 HydrophobicContact CE1-CG1 4.1Å; F372-V436 HydrophobicContact CE1-CG2 4.2Å; F372-V436 HydrophobicContact CZ-CB 4.07Å; F372-V436 HydrophobicContact CZ-CG1 3.69Å; F372-V436 HydrophobicContact CZ-CG2 4.45Å; F372-L438 HydrophobicContact CE1-CD2 4.42Å; F372-L438 HydrophobicContact CE2-CD2 4Å; F372-L438 HydrophobicContact CZ-CD2 3.57Å
373D89.3Confident89.2Confident49 Ų4959.5 Ų59.526%0.26229%0.286SS..  trans-75177.1163.173.45000111.9N375 F376 R377 I379D373-N375 PolarHBondContact O-N 3.07Å; D373-N375 VanDerWaalsContact OD1-C 3.23Å; D373-N375 VanDerWaalsContact OD1-CA 3.28Å; D373-N375 WeakPolarHBondContact OD1-CA 3.27Å; D373-N375 WeakPolarHBondContact OD1-CB 3.16Å; D373-N375 PolarHBondContact OD1-N 3.13Å; D373-F376 PolarHBondContact O-N 3.36Å; D373-F376 PolarHBondContact OD1-N 2.86Å; D373-F376 VanDerWaalsContact OD1-N 3.12Å; D373-R377 PolarHBondContact N-O 2.63Å; D373-R377 WeakPolarHBondContact OD1-CB 3.4Å; D373-R377 PolarHBondContact OD1-N 3.32Å; D373-I379 HydrophobicContact CB-CG2 3.91Å
374D81Confident89.4Confident164 Ų16461.2 Ų61.288%0.87729%0.291SS*.THydrogen-bonded Turntrans-59.4-17177.9-61.2-28.9000113.8
375N77.6Confident89.5Confident116 Ų11661.7 Ų61.762%0.6229%0.294SS*.THydrogen-bonded Turntrans-100.414177.5-59.6-64.5000112.7D373 R377D373-N375 PolarHBondContact O-N 3.07Å; D373-N375 VanDerWaalsContact OD1-C 3.23Å; D373-N375 VanDerWaalsContact OD1-CA 3.28Å; D373-N375 WeakPolarHBondContact OD1-CA 3.27Å; D373-N375 WeakPolarHBondContact OD1-CB 3.16Å; D373-N375 PolarHBondContact OD1-N 3.13Å; N375-R377 HydrophobicContact CB-CG 4.46Å; N375-R377 PolarHBondContact O-N 3.02Å
376F78.8Confident89.5Confident132 Ų13267.3 Ų67.358%0.57932%0.317SS*.SBendtrans59.329.4-177-75.1-92.4000114.4F372 D373 L438F372-F376 WeakPolarHBondContact CD1-O 3.3Å; D373-F376 PolarHBondContact O-N 3.36Å; D373-F376 PolarHBondContact OD1-N 2.86Å; D373-F376 VanDerWaalsContact OD1-N 3.12Å; F376-L438 HydrophobicContact CD1-CD1 4.05Å; F376-L438 HydrophobicContact CE1-CD1 4.45Å
377R84.3Confident89.6Confident171 Ų17170.1 Ų70.165%0.64534%0.335SS*.  trans-91.8133.5169.9-60.5176.6176.2162.90.2109.4F372 D373 N375 I379F372-R377 CarbonylContact C-O 3.6Å; F372-R377 VanDerWaalsContact CA-O 3.24Å; F372-R377 WeakPolarHBondContact CA-O 3.48Å; D373-R377 PolarHBondContact N-O 2.63Å; D373-R377 WeakPolarHBondContact OD1-CB 3.4Å; D373-R377 PolarHBondContact OD1-N 3.32Å; N375-R377 HydrophobicContact CB-CG 4.46Å; N375-R377 PolarHBondContact O-N 3.02Å; R377-I379 PolarHBondContact O-N 3.31Å
378A91.3Very high89.6Confident22 Ų2271.1 Ų71.118%0.18234%0.344CS..EExtended strand (participates in β ladder)trans-62.9132.817800000110.2V370 E371 F372 L429 V436V370-A378 HydrophobicContact CG2-CB 3.74Å; E371-A378 CarbonylContact O-C 3.48Å; E371-A378 WeakPolarHBondContact O-CA 3.36Å; F372-A378 HydrophobicContact CD1-CB 4.38Å; F372-A378 HydrophobicContact CE1-CB 4.22Å; A378-L429 HydrophobicContact CB-CD1 4.06Å; A378-L429 WeakPolarHBondContact O-CD1 3.28Å; A378-V436 HydrophobicContact CB-CG2 3.61Å
379I93.9Very high89.6Confident84 Ų8476 Ų7643%0.43136%0.363SS..EExtended strand (participates in β ladder)trans-122.4-24.5-17958.2172.7000113.4E371 D373 R377E371-I379 HydrophobicContact CB-CG1 3.96Å; E371-I379 HydrophobicContact CG-CD1 3.81Å; E371-I379 HydrophobicContact CG-CG1 3.74Å; E371-I379 PolarHBondContact O-N 2.75Å; D373-I379 HydrophobicContact CB-CG2 3.91Å; R377-I379 PolarHBondContact O-N 3.31Å
380S93.8Very high89.5Confident17 Ų1776.8 Ų76.812%0.11937%0.368CS..EExtended strand (participates in β ladder)trans-153.2153.9171.378.10000111.4E371E371-S380 VanDerWaalsContact CB-OG 3.24Å; E371-S380 WeakPolarHBondContact CB-OG 3.27Å; E371-S380 PolarHBondContact N-O 3.11Å; E371-S380 PolarHBondContact OE2-OG 3.24Å
381L93.2Very high89.3Confident12 Ų1280.9 Ų80.96%0.06339%0.39CS..EExtended strand (participates in β ladder)trans-123.3139.9163.7-62.3107000110.9V369 V370 V394 T422 N425 Q426 L429 L434V369-L381 CarbonylContact O-C 3.53Å; V369-L381 WeakPolarHBondContact O-CA 3.28Å; V370-L381 HydrophobicContact CB-CD2 4.02Å; V370-L381 HydrophobicContact CB-CG 4.25Å; V370-L381 HydrophobicContact CG2-CD2 4.33Å; V370-L381 HydrophobicContact CG2-CG 4.24Å; L381-V394 HydrophobicContact CD2-CG2 3.85Å; L381-T422 HydrophobicContact CB-CG2 4.04Å; L381-N425 HydrophobicContact CD1-CB 4.25Å; L381-N425 HydrophobicContact CD2-CB 4.08Å; L381-Q426 VanDerWaalsContact N-OE1 3.14Å; L381-L429 HydrophobicContact CD1-CB 4.05Å; L381-L429 HydrophobicContact CD1-CD2 3.61Å; L381-L429 HydrophobicContact CD1-CG 4.39Å; L381-L434 HydrophobicContact CD1-CD2 3.43Å; L381-L434 VanDerWaalsContact CD1-CD2 3.43Å; L381-L434 HydrophobicContact CD2-CD2 4.49Å
382E91.5Very high89.2Confident54 Ų5480.1 Ų80.125%0.25239%0.385SS..EExtended strand (participates in β ladder)trans-132.4134.6-179.1-61-175.8153.200110.6G368 V369 P385 K389G368-E382 CarbonylContact C-O 3.57Å; G368-E382 VanDerWaalsContact CA-O 3.28Å; G368-E382 WeakPolarHBondContact CA-O 3.4Å; V369-E382 HydrophobicContact CG2-CB 4.02Å; V369-E382 PolarHBondContact N-O 2.79Å; V369-E382 PolarHBondContact O-N 3.07Å; E382-P385 HydrophobicContact CB-CB 4.22Å; E382-P385 HydrophobicContact CB-CG 4.09Å; E382-K389 WeakPolarHBondContact OE1-CE 3.18Å; E382-K389 IonicContact OE1-NZ 3.3Å; E382-K389 PolarHBondContact OE1-NZ 3.22Å
383E91.5Very high89.3Confident55 Ų5578.6 Ų78.626%0.25738%0.378SS..EExtended strand (participates in β ladder)trans-86.9117.5177.7-178.962.6-158.400110E420 T422E383-E420 HydrophobicContact CG-CG 4.26Å; E383-T422 HydrophobicContact CB-CG2 4.09Å; E383-T422 WeakPolarHBondContact OE2-CB 3.5Å; E383-T422 PolarHBondContact OE2-OG1 3.08Å
384K89.6Confident89.5Confident83 Ų8376.7 Ų76.736%0.36137%0.368SS..SBendtrans45.352.8172.1-67169.2-175.3130.90113.2E365 R366 F367E365-K384 CarbonylContact O-C 3.55Å; E365-K384 VanDerWaalsContact O-CA 3.29Å; E365-K384 WeakPolarHBondContact O-CA 3.29Å; E365-K384 WeakPolarHBondContact O-CB 3.26Å; R366-K384 VanDerWaalsContact O-CE 3.22Å; R366-K384 WeakPolarHBondContact O-CE 3.27Å; R366-K384 WeakPolarHBondContact O-CG 3.35Å; F367-K384 VanDerWaalsContact O-CA 3.3Å; F367-K384 WeakPolarHBondContact O-CA 3.28Å; F367-K384 PolarHBondContact O-N 3.33Å
385P90.5Very high89.9Confident16 Ų1669.6 Ų69.610%0.10433%0.331CS..  trans-67.9141.4-175.327.7-33.2000110.7E365 V369 E382 Q387 P388E365-P385 WeakPolarHBondContact CA-O 3.49Å; E365-P385 VanDerWaalsContact CB-O 3.29Å; E365-P385 WeakPolarHBondContact CB-O 3.48Å; V369-P385 HydrophobicContact CG2-CG 3.55Å; E382-P385 HydrophobicContact CB-CB 4.22Å; E382-P385 HydrophobicContact CB-CG 4.09Å; P385-Q387 PolarHBondContact O-N 3.19Å; P385-P388 HydrophobicContact CG-CB 3.88Å; P385-P388 HydrophobicContact CG-CG 3.98Å
386K89.9Confident90.4Very high211 Ų21166.3 Ų66.392%0.91733%0.325SS*.SBendtrans-65.2-26.7172.1-68.7-176.4-179.41770112.7
387Q91.1Very high90.9Very high173 Ų17363.6 Ų63.681%0.80832%0.316SS*.SBendtrans-130.885.4176.4-71-176.3-9.200108P385 K389P385-Q387 PolarHBondContact O-N 3.19Å; Q387-K389 PolarHBondContact O-N 3.14Å
388P90.3Very high91.2Very high40 Ų4058.5 Ų58.526%0.2630%0.297SS..  trans-63.7133.8-176.4-20.933.5000112P364 E365 P385 S390P364-P388 HydrophobicContact CB-CB 3.71Å; P364-P388 HydrophobicContact CB-CG 3.91Å; P364-P388 HydrophobicContact CG-CB 3.75Å; P364-P388 HydrophobicContact CG-CG 3.78Å; E365-P388 HydrophobicContact CB-CG 4.05Å; P385-P388 HydrophobicContact CG-CB 3.88Å; P385-P388 HydrophobicContact CG-CG 3.98Å; P388-S390 VanDerWaalsContact C-N 3.28Å
389K91.7Very high91.2Very high110 Ų11060.9 Ų60.948%0.47830%0.304SS..SBendtrans-77.9-14.4176.4-64.8179.2-179.2160.80113.5E371 E382 Q387E371-K389 HydrophobicContact CB-CB 4.34Å; E371-K389 HydrophobicContact CG-CB 4.11Å; E371-K389 VanDerWaalsContact OE2-CD 3.27Å; E371-K389 WeakPolarHBondContact OE2-CD 3.16Å; E371-K389 IonicContact OE2-NZ 3.43Å; E382-K389 WeakPolarHBondContact OE1-CE 3.18Å; E382-K389 IonicContact OE1-NZ 3.3Å; E382-K389 PolarHBondContact OE1-NZ 3.22Å; Q387-K389 PolarHBondContact O-N 3.14Å
390S92Very high91.1Very high18 Ų1859.8 Ų59.813%0.12630%0.295CS..  trans-152.3167177.687.10000110.6P364 V370 P388 W392P364-S390 WeakPolarHBondContact CB-O 3.14Å; V370-S390 VanDerWaalsContact O-CB 3.29Å; V370-S390 WeakPolarHBondContact O-CB 3.38Å; V370-S390 PolarHBondContact O-OG 2.86Å; P388-S390 VanDerWaalsContact C-N 3.28Å; S390-W392 PolarHBondContact OG-N 3.27Å
391N89.9Confident91.1Very high87 Ų8760 Ų6047%0.46529%0.294SS..SBendtrans-97.313.4174.7-65.8-8.2000112.6Q360 V361 A393Q360-N391 WeakPolarHBondContact CA-O 3.46Å; V361-N391 PolarHBondContact N-O 2.88Å; V361-N391 WeakPolarHBondContact O-CB 3.49Å; N391-A393 PolarHBondContact O-N 2.98Å
392W91.7Very high91.1Very high36 Ų3664.4 Ų64.414%0.13633%0.326CS..EExtended strand (participates in β ladder)trans-95.995.1-177.4-73.2103.8000110.1Q360 V369 V370 F372 S390 L438Q360-W392 HydrophobicContact CG-CD2 3.67Å; Q360-W392 HydrophobicContact CG-CE3 3.63Å; Q360-W392 HydrophobicContact CG-CG 4.48Å; Q360-W392 HydrophobicContact CG-CH2 3.61Å; Q360-W392 HydrophobicContact CG-CZ2 3.63Å; Q360-W392 HydrophobicContact CG-CZ3 3.61Å; V369-W392 CarbonylContact C-O 3.51Å; V369-W392 VanDerWaalsContact CA-O 3.27Å; V369-W392 WeakPolarHBondContact CA-O 3.25Å; V370-W392 HydrophobicContact CG1-CB 3.7Å; V370-W392 PolarHBondContact N-O 3.44Å; F372-W392 AromaticContact CD2-CD1 3.75Å; F372-W392 HydrophobicContact CD2-CG 4.24Å; F372-W392 HydrophobicContact CE2-CB 3.89Å; F372-W392 AromaticContact CE2-CD1 3.61Å; F372-W392 HydrophobicContact CE2-CD2 4.17Å; F372-W392 AromaticContact CE2-CG 3.64Å; F372-W392 HydrophobicContact CE2-CG 3.64Å; S390-W392 PolarHBondContact OG-N 3.27Å; W392-L438 HydrophobicContact CD2-CD2 4.07Å; W392-L438 HydrophobicContact CE3-CD2 3.74Å; W392-L438 HydrophobicContact CH2-CB 3.9Å; W392-L438 HydrophobicContact CH2-CD1 3.84Å; W392-L438 HydrophobicContact CH2-CD2 3.99Å; W392-L438 HydrophobicContact CH2-CG 4.11Å; W392-L438 HydrophobicContact CZ2-CD1 3.91Å; W392-L438 HydrophobicContact CZ2-CD2 4.3Å; W392-L438 HydrophobicContact CZ3-CB 3.89Å; W392-L438 HydrophobicContact CZ3-CD1 4.39Å; W392-L438 HydrophobicContact CZ3-CD2 3.7Å; W392-L438 HydrophobicContact CZ3-CG 4.18Å
393A92.2Very high91.2Very high0 Ų066.7 Ų66.70%034%0.335CS..EExtended strand (participates in β ladder)trans-74.9140.9173.300000111G358 Y359 V361 F367 G368 N391G358-A393 CarbonylContact C-O 3.47Å; G358-A393 WeakPolarHBondContact CA-O 3.14Å; Y359-A393 PolarHBondContact N-O 3.02Å; Y359-A393 PolarHBondContact O-N 3.07Å; V361-A393 HydrophobicContact CB-CB 4.27Å; V361-A393 HydrophobicContact CG1-CB 3.69Å; V361-A393 HydrophobicContact CG2-CB 3.54Å; F367-A393 HydrophobicContact CB-CB 3.69Å; F367-A393 HydrophobicContact CD2-CB 3.77Å; F367-A393 HydrophobicContact CG-CB 3.89Å; G368-A393 CarbonylContact O-C 3.52Å; G368-A393 WeakPolarHBondContact O-CA 3.36Å; N391-A393 PolarHBondContact O-N 2.98Å
394V93.2Very high91.4Very high9 Ų965.6 Ų65.66%0.05533%0.332CS..EExtended strand (participates in β ladder)trans-80.9125.5170.8-176.30000108.7V356 F357 G368 V370 L381 G396 Y398V356-V394 HydrophobicContact CB-CG1 4.08Å; F357-V394 WeakPolarHBondContact O-CA 3.5Å; G368-V394 PolarHBondContact O-N 3.29Å; V370-V394 HydrophobicContact CB-CG2 4.45Å; V370-V394 HydrophobicContact CG1-CG2 4.45Å; L381-V394 HydrophobicContact CD2-CG2 3.85Å; V394-G396 VanDerWaalsContact C-N 3.32Å; V394-G396 PolarHBondContact O-N 3.27Å; V394-Y398 HydrophobicContact CG1-CD1 4.43Å; V394-Y398 HydrophobicContact CG1-CE1 3.47Å; V394-Y398 VanDerWaalsContact CG1-CE1 3.47Å
395T90.1Very high91.7Very high15 Ų1565.6 Ų65.69%0.09234%0.339CS..EExtended strand (participates in β ladder)trans-81.8-0.2-161.558.90000116.1F357 Y359 L397 L439 W445F357-T395 HydrophobicContact CB-CG2 4.46Å; F357-T395 WeakPolarHBondContact CB-OG1 3.43Å; F357-T395 WeakPolarHBondContact O-CG2 3.09Å; F357-T395 PolarHBondContact O-N 2.88Å; F357-T395 PolarHBondContact O-OG1 3.46Å; Y359-T395 HydrophobicContact CG-CG2 4.43Å; T395-L397 VanDerWaalsContact C-N 3.26Å; T395-L397 PolarHBondContact O-N 3.13Å; T395-L439 HydrophobicContact CG2-CD1 3.93Å; T395-W445 VanDerWaalsContact CB-CD1 3.49Å; T395-W445 HydrophobicContact CG2-CD2 4.32Å; T395-W445 HydrophobicContact CG2-CG 3.98Å; T395-W445 PolarHBondContact O-NE1 3.12Å
396G88.5Confident91.8Very high48 Ų4869.5 Ų69.550%0.49536%0.356SS..EExtended strand (participates in β ladder)trans81.6-0.3-171.600000114.6V394 Y398V394-G396 VanDerWaalsContact C-N 3.32Å; V394-G396 PolarHBondContact O-N 3.27Å; G396-Y398 WeakPolarHBondContact CA-OH 3.03Å; G396-Y398 WeakPolarHBondContact O-CD2 3.35Å; G396-Y398 WeakPolarHBondContact O-CE2 3.18Å
397L87.9Confident92Very high74 Ų7461.5 Ų61.539%0.38732%0.32SS..EExtended strand (participates in β ladder)trans-94127.6169.5-177.163.2000109.7L344 F357 T395 F399L344-L397 HydrophobicContact CD2-CD2 4.3Å; F357-L397 HydrophobicContact CD2-CB 3.75Å; F357-L397 HydrophobicContact CD2-CD2 3.58Å; F357-L397 HydrophobicContact CD2-CG 3.56Å; F357-L397 WeakPolarHBondContact CD2-O 3.25Å; F357-L397 HydrophobicContact CE1-CD2 4.49Å; F357-L397 HydrophobicContact CE2-CB 4.3Å; F357-L397 HydrophobicContact CE2-CD2 3.5Å; F357-L397 VanDerWaalsContact CE2-CD2 3.5Å; F357-L397 HydrophobicContact CE2-CG 3.58Å; F357-L397 HydrophobicContact CG-CB 4.45Å; F357-L397 HydrophobicContact CG-CD2 4.11Å; F357-L397 HydrophobicContact CG-CG 4.45Å; F357-L397 HydrophobicContact CZ-CD2 3.98Å; T395-L397 VanDerWaalsContact C-N 3.26Å; T395-L397 PolarHBondContact O-N 3.13Å; L397-F399 HydrophobicContact CD1-CE2 4.44Å; L397-F399 HydrophobicContact CD2-CE2 4.43Å; L397-F399 HydrophobicContact CG-CE2 4.33Å
398Y90.7Very high92.1Very high64 Ų6455.5 Ų55.525%0.25130%0.3SS..EExtended strand (participates in β ladder)trans-140.2136.8-175.1-48.7-67.4000111.2V356 V394 G396 Y400 I421V356-Y398 HydrophobicContact CB-CD1 4.31Å; V356-Y398 HydrophobicContact CG1-CD1 3.89Å; V356-Y398 HydrophobicContact CG1-CE1 4.33Å; V394-Y398 HydrophobicContact CG1-CD1 4.43Å; V394-Y398 HydrophobicContact CG1-CE1 3.47Å; V394-Y398 VanDerWaalsContact CG1-CE1 3.47Å; G396-Y398 WeakPolarHBondContact CA-OH 3.03Å; G396-Y398 WeakPolarHBondContact O-CD2 3.35Å; G396-Y398 WeakPolarHBondContact O-CE2 3.18Å; Y398-Y400 WeakPolarHBondContact CD1-OH 3.41Å; Y398-Y400 HydrophobicContact CD2-CE2 4.45Å; Y398-Y400 AromaticContact CG-CE2 3.94Å; Y398-Y400 HydrophobicContact CG-CE2 3.94Å; Y398-Y400 AromaticContact CG-CZ 3.9Å; Y398-I421 HydrophobicContact CD2-CG1 4.15Å; Y398-I421 HydrophobicContact CE1-CG1 4.4Å; Y398-I421 HydrophobicContact CE2-CG1 3.76Å; Y398-I421 HydrophobicContact CE2-CG2 4.24Å; Y398-I421 WeakPolarHBondContact OH-CG2 3.24Å
399F91.2Very high92.3Very high73 Ų7360.3 Ų60.332%0.3232%0.317SS..EExtended strand (participates in β ladder)trans-116.4128.2164-66.1-84000108.3V347 A348 A354 T355 F357 L397V347-F399 HydrophobicContact CG1-CD2 3.82Å; V347-F399 HydrophobicContact CG1-CE2 4.21Å; A348-F399 HydrophobicContact CB-CE1 3.96Å; A348-F399 HydrophobicContact CB-CZ 4.13Å; A354-F399 CarbonylContact C-O 3.43Å; A354-F399 VanDerWaalsContact CA-O 3.25Å; A354-F399 WeakPolarHBondContact CA-O 3.48Å; T355-F399 PolarHBondContact N-O 2.95Å; T355-F399 PolarHBondContact O-N 3.45Å; F357-F399 AromaticContact CE2-CD2 3.56Å; F357-F399 HydrophobicContact CE2-CD2 3.56Å; F357-F399 AromaticContact CE2-CE2 3.51Å; F357-F399 HydrophobicContact CE2-CE2 3.51Å; F357-F399 AromaticContact CZ-CD2 3.92Å; F357-F399 HydrophobicContact CZ-CD2 3.92Å; F357-F399 AromaticContact CZ-CE2 3.65Å; F357-F399 HydrophobicContact CZ-CE2 3.65Å; L397-F399 HydrophobicContact CD1-CE2 4.44Å; L397-F399 HydrophobicContact CD2-CE2 4.43Å; L397-F399 HydrophobicContact CG-CE2 4.33Å
400Y93.4Very high92.4Very high61 Ų6160.7 Ų60.724%0.23932%0.32CS..EExtended strand (participates in β ladder)trans-129.4147.8177.2-56.3-73.3000110.6A354 Y398 V404 I421 I424 N425 Y428A354-Y400 HydrophobicContact CB-CD1 3.54Å; A354-Y400 HydrophobicContact CB-CE1 3.9Å; Y398-Y400 WeakPolarHBondContact CD1-OH 3.41Å; Y398-Y400 HydrophobicContact CD2-CE2 4.45Å; Y398-Y400 AromaticContact CG-CE2 3.94Å; Y398-Y400 HydrophobicContact CG-CE2 3.94Å; Y398-Y400 AromaticContact CG-CZ 3.9Å; Y400-V404 HydrophobicContact CD1-CG2 4.14Å; Y400-V404 HydrophobicContact CD2-CB 4.48Å; Y400-V404 HydrophobicContact CD2-CG2 3.77Å; Y400-V404 HydrophobicContact CE2-CG2 4.29Å; Y400-V404 HydrophobicContact CG-CB 4.06Å; Y400-V404 HydrophobicContact CG-CG2 3.68Å; Y400-I421 HydrophobicContact CE2-CD1 4.22Å; Y400-I421 WeakPolarHBondContact OH-CD1 3.23Å; Y400-I421 WeakPolarHBondContact OH-CG1 3.44Å; Y400-I424 HydrophobicContact CE1-CG2 4.01Å; Y400-N425 WeakPolarHBondContact CE1-OD1 3.25Å; Y400-N425 PolarHBondContact OH-OD1 3.01Å; Y400-Y428 AromaticContact CD1-CD2 3.91Å; Y400-Y428 HydrophobicContact CD1-CD2 3.91Å; Y400-Y428 AromaticContact CD1-CE2 3.41Å; Y400-Y428 HydrophobicContact CD1-CE2 3.41Å; Y400-Y428 VanDerWaalsContact CD1-CE2 3.41Å; Y400-Y428 HydrophobicContact CE1-CD2 4.09Å; Y400-Y428 AromaticContact CE1-CE2 3.98Å; Y400-Y428 HydrophobicContact CE1-CE2 3.98Å; Y400-Y428 HydrophobicContact CG-CE2 4.28Å
401D93.2Very high92.4Very high20 Ų2060.7 Ų60.711%0.10732%0.32CS..  trans-71176.4162.37828.2000111.6G353 K403 V404 Y428G353-D401 PolarHBondContact N-OD2 3.16Å; G353-D401 PolarHBondContact O-N 3.49Å; D401-K403 PolarHBondContact O-N 2.89Å; D401-K403 WeakPolarHBondContact OD1-CA 3.34Å; D401-K403 WeakPolarHBondContact OD1-CB 3.35Å; D401-K403 WeakPolarHBondContact OD1-CG 3.25Å; D401-K403 PolarHBondContact OD1-N 3.22Å; D401-V404 WeakPolarHBondContact O-CB 3.31Å; D401-V404 VanDerWaalsContact O-CG1 3.26Å; D401-V404 WeakPolarHBondContact O-CG1 3.5Å; D401-V404 PolarHBondContact O-N 3.48Å; D401-Y428 PolarHBondContact O-OH 3.3Å; D401-Y428 PolarHBondContact OD1-OH 3.15Å
402S93.3Very high92.4Very high106 Ų10664.9 Ų64.974%0.74133%0.334SS*.THydrogen-bonded Turntrans-65.8-17.5-176.258.20000114.6V404 V405S402-V404 PolarHBondContact O-N 2.96Å; S402-V405 PolarHBondContact O-N 2.78Å
403K94.2Very high92.3Very high102 Ų10267.2 Ų67.244%0.44335%0.353SS..THydrogen-bonded Turntrans-66.3-17.1177.6-60.2173.1-178.7164.10112.3D401 V405 E406 Y407D401-K403 PolarHBondContact O-N 2.89Å; D401-K403 WeakPolarHBondContact OD1-CA 3.34Å; D401-K403 WeakPolarHBondContact OD1-CB 3.35Å; D401-K403 WeakPolarHBondContact OD1-CG 3.25Å; D401-K403 PolarHBondContact OD1-N 3.22Å; K403-V405 PolarHBondContact O-N 2.85Å; K403-E406 PolarHBondContact O-N 3.29Å; K403-Y407 PolarHBondContact O-N 3.13Å; K403-Y407 VanDerWaalsContact O-N 3.09Å
404V95.1Very high91.9Very high31 Ų3169 Ų6919%0.18837%0.366CS..Hα-helixtrans-52.3-32.5175.672.10000112.5Y400 D401 S402 E406 Y407 A408 I424 Y428Y400-V404 HydrophobicContact CD1-CG2 4.14Å; Y400-V404 HydrophobicContact CD2-CB 4.48Å; Y400-V404 HydrophobicContact CD2-CG2 3.77Å; Y400-V404 HydrophobicContact CE2-CG2 4.29Å; Y400-V404 HydrophobicContact CG-CB 4.06Å; Y400-V404 HydrophobicContact CG-CG2 3.68Å; D401-V404 WeakPolarHBondContact O-CB 3.31Å; D401-V404 VanDerWaalsContact O-CG1 3.26Å; D401-V404 WeakPolarHBondContact O-CG1 3.5Å; D401-V404 PolarHBondContact O-N 3.48Å; S402-V404 PolarHBondContact O-N 2.96Å; V404-E406 VanDerWaalsContact C-N 3.32Å; V404-E406 PolarHBondContact O-N 2.98Å; V404-Y407 PolarHBondContact O-N 3.13Å; V404-A408 VanDerWaalsContact O-CB 3.23Å; V404-A408 WeakPolarHBondContact O-CB 3.47Å; V404-A408 PolarHBondContact O-N 3.16Å; V404-I424 HydrophobicContact CG2-CD1 4.47Å; V404-I424 HydrophobicContact CG2-CG2 3.87Å; V404-Y428 WeakPolarHBondContact CA-OH 3.39Å; V404-Y428 HydrophobicContact CB-CE2 4.35Å; V404-Y428 HydrophobicContact CG2-CE2 4.38Å; V404-Y428 PolarHBondContact N-OH 3.02Å
405V94.8Very high91.3Very high84 Ų8478.6 Ų78.651%0.50941%0.41SS..Hα-helixtrans-66-36.5178.6-1780000111.2S402 K403 K409S402-V405 PolarHBondContact O-N 2.78Å; K403-V405 PolarHBondContact O-N 2.85Å; V405-K409 WeakPolarHBondContact O-CG 3.3Å; V405-K409 PolarHBondContact O-N 3.34Å
406E93.9Very high90.8Very high97 Ų9786.9 Ų86.945%0.45344%0.44SS..Hα-helixtrans-76.2-36.7176.3-63.8-51.4133.500112.1K403 V404 K409 Q410K403-E406 PolarHBondContact O-N 3.29Å; V404-E406 VanDerWaalsContact C-N 3.32Å; V404-E406 PolarHBondContact O-N 2.98Å; E406-K409 IonicContact OE1-NZ 2.79Å; E406-K409 PolarHBondContact OE1-NZ 3.28Å; E406-K409 IonicContact OE2-NZ 3.38Å; E406-K409 PolarHBondContact OE2-NZ 3Å; E406-Q410 WeakPolarHBondContact O-CG 3.32Å; E406-Q410 PolarHBondContact O-NE2 3.37Å
407Y94Very high90.7Very high44 Ų4487.2 Ų87.217%0.17344%0.444CS..Hα-helixtrans-65.8-42.6172.5-69-25.5000112.1K403 V404 K409 Q410 V411 M427 Y428K403-Y407 PolarHBondContact O-N 3.13Å; K403-Y407 VanDerWaalsContact O-N 3.09Å; V404-Y407 PolarHBondContact O-N 3.13Å; Y407-K409 PolarHBondContact O-N 3.1Å; Y407-Q410 WeakPolarHBondContact O-CB 3.41Å; Y407-Q410 PolarHBondContact O-N 3.22Å; Y407-V411 PolarHBondContact O-N 2.87Å; Y407-M427 HydrophobicContact CD1-CB 4.28Å; Y407-M427 HydrophobicContact CD1-SD 4.09Å; Y407-M427 HydrophobicContact CD2-CB 4.2Å; Y407-M427 HydrophobicContact CE1-CB 4.47Å; Y407-M427 HydrophobicContact CE2-CB 4.4Å; Y407-M427 HydrophobicContact CG-CB 4.15Å; Y407-M427 HydrophobicContact CG-SD 4.05Å; Y407-Y428 AromaticContact CD2-CD2 3.72Å; Y407-Y428 HydrophobicContact CD2-CD2 3.72Å; Y407-Y428 HydrophobicContact CD2-CE1 4.29Å; Y407-Y428 AromaticContact CD2-CE2 3.46Å; Y407-Y428 HydrophobicContact CD2-CE2 3.46Å; Y407-Y428 VanDerWaalsContact CD2-CE2 3.46Å; Y407-Y428 HydrophobicContact CD2-CG 4.25Å; Y407-Y428 AromaticContact CD2-CZ 3.77Å; Y407-Y428 AromaticContact CE2-CD1 3.86Å; Y407-Y428 HydrophobicContact CE2-CD1 3.86Å; Y407-Y428 AromaticContact CE2-CD2 3.83Å; Y407-Y428 HydrophobicContact CE2-CD2 3.83Å; Y407-Y428 AromaticContact CE2-CE1 3.79Å; Y407-Y428 HydrophobicContact CE2-CE1 3.79Å; Y407-Y428 AromaticContact CE2-CE2 3.78Å; Y407-Y428 HydrophobicContact CE2-CE2 3.78Å; Y407-Y428 AromaticContact CE2-CG 3.87Å; Y407-Y428 HydrophobicContact CE2-CG 3.87Å; Y407-Y428 AromaticContact CE2-CZ 3.75Å
408A93.4Very high90.6Very high46 Ų4688.6 Ų88.638%0.3845%0.448SS..Hα-helixtrans-57.4-36.7178.300000112.6V404 Q410 V411 I424V404-A408 VanDerWaalsContact O-CB 3.23Å; V404-A408 WeakPolarHBondContact O-CB 3.47Å; V404-A408 PolarHBondContact O-N 3.16Å; A408-Q410 PolarHBondContact O-N 2.93Å; A408-V411 PolarHBondContact O-N 3.49Å; A408-I424 HydrophobicContact CB-CD1 3.99Å
409K93.8Very high90.6Very high142 Ų14291.2 Ų91.262%0.61747%0.466SS*.THydrogen-bonded Turntrans-65.8-22.5175.6-70169.8-171.3168.40113.7V405 E406 Y407V405-K409 WeakPolarHBondContact O-CG 3.3Å; V405-K409 PolarHBondContact O-N 3.34Å; E406-K409 IonicContact OE1-NZ 2.79Å; E406-K409 PolarHBondContact OE1-NZ 3.28Å; E406-K409 IonicContact OE2-NZ 3.38Å; E406-K409 PolarHBondContact OE2-NZ 3Å; Y407-K409 PolarHBondContact O-N 3.1Å
410Q92.9Very high90.5Very high117 Ų11789.1 Ų89.155%0.54746%0.457SS..THydrogen-bonded Turntrans-94.7-11-176.7-62.7173.53900112.7E406 Y407 A408 K412 M427E406-Q410 WeakPolarHBondContact O-CG 3.32Å; E406-Q410 PolarHBondContact O-NE2 3.37Å; Y407-Q410 WeakPolarHBondContact O-CB 3.41Å; Y407-Q410 PolarHBondContact O-N 3.22Å; A408-Q410 PolarHBondContact O-N 2.93Å; Q410-K412 PolarHBondContact O-N 2.8Å; Q410-M427 HydrophobicContact CB-CE 4.06Å
411V92Very high90.5Very high19 Ų1988.9 Ų88.912%0.11546%0.459CS..PPolyproline II helixtrans-63.4125.1179.6-178.10000109.5Y407 A408 L419 I424 M427Y407-V411 PolarHBondContact O-N 2.87Å; A408-V411 PolarHBondContact O-N 3.49Å; V411-L419 HydrophobicContact CB-CD2 4.2Å; V411-L419 HydrophobicContact CG1-CB 4.26Å; V411-L419 HydrophobicContact CG1-CD2 3.76Å; V411-I424 HydrophobicContact CG2-CD1 4.12Å; V411-I424 HydrophobicContact CG2-CG1 3.57Å; V411-M427 HydrophobicContact CG2-CE 4.47Å
412K90.5Very high90.4Very high174 Ų17488.3 Ų88.376%0.75746%0.457SS*.PPolyproline II helixtrans-92.7143.4172.2-65.4-179.9-177.1174.40109.1Q410Q410-K412 PolarHBondContact O-N 2.8Å
413P89.1Confident90.3Very high85 Ų8585.2 Ų85.255%0.55244%0.435SS*.PPolyproline II helixtrans-55.8141.8173-24.634.1000111.8E418 L419P413-E418 CarbonylContact C-O 3.53Å; P413-E418 WeakPolarHBondContact CA-O 3.49Å; P413-L419 HydrophobicContact CG-CD2 4.1Å
414S84Confident90.3Very high37 Ų3781.1 Ų81.126%0.25942%0.417SS..  trans-64.9174.9171.868.20000111.1R416 G417 E418 E420S414-R416 PolarHBondContact O-N 3.1Å; S414-R416 PolarHBondContact OG-N 3.22Å; S414-G417 WeakPolarHBondContact O-CA 3.1Å; S414-G417 PolarHBondContact O-N 2.91Å; S414-E418 PolarHBondContact N-O 2.79Å; S414-E418 PolarHBondContact OG-N 3.11Å; S414-E418 PolarHBondContact OG-O 3.08Å; S414-E420 PolarHBondContact OG-OE1 3.01Å
415E80.5Confident90.3Very high212 Ų21279.6 Ų79.699%0.99141%0.409SS*.THydrogen-bonded Turntrans-57.5-21173.2-65.1-174165.600112.9G417E415-G417 VanDerWaalsContact C-N 3.35Å
416R80.6Confident90.2Very high188 Ų18877.9 Ų77.971%0.70940%0.395SS*.THydrogen-bonded Turntrans-86.4-4175.1-60.6-177.5-177.5-176.93.1113.5S414S414-R416 PolarHBondContact O-N 3.1Å; S414-R416 PolarHBondContact OG-N 3.22Å
417G86.8Confident90.2Very high56 Ų5675.2 Ų75.258%0.57738%0.383SS*.SBendtrans8112.6-177.200000114.4S414 E415S414-G417 WeakPolarHBondContact O-CA 3.1Å; S414-G417 PolarHBondContact O-N 2.91Å; E415-G417 VanDerWaalsContact C-N 3.35Å
418E86.4Confident90.3Very high103 Ų10373.2 Ų73.248%0.48138%0.375SS..  trans-100.4147.7-176.8-64.7179.6170.500111.2P413 S414P413-E418 CarbonylContact C-O 3.53Å; P413-E418 WeakPolarHBondContact CA-O 3.49Å; S414-E418 PolarHBondContact N-O 2.79Å; S414-E418 PolarHBondContact OG-N 3.11Å; S414-E418 PolarHBondContact OG-O 3.08Å
419L90.1Very high90.4Very high119 Ų11972.3 Ų72.362%0.62336%0.364SS*.  trans-89110.9172.5-65.2174.6000108.9V411 P413V411-L419 HydrophobicContact CB-CD2 4.2Å; V411-L419 HydrophobicContact CG1-CB 4.26Å; V411-L419 HydrophobicContact CG1-CD2 3.76Å; P413-L419 HydrophobicContact CG-CD2 4.1Å
420E89.5Confident90.4Very high28 Ų2872.4 Ų72.413%0.13137%0.366CS..  trans-91.2128.3-173.7-53.6-65176.700111.8E383 S414 T422 S423E383-E420 HydrophobicContact CG-CG 4.26Å; S414-E420 PolarHBondContact OG-OE1 3.01Å; E420-T422 PolarHBondContact O-N 3.29Å; E420-S423 VanDerWaalsContact O-CB 3.28Å; E420-S423 WeakPolarHBondContact O-CB 3.35Å; E420-S423 PolarHBondContact O-N 3.15Å; E420-S423 PolarHBondContact O-OG 2.68Å
421I91.7Very high90.4Very high57 Ų5769 Ų6929%0.29236%0.358SS..Hα-helixtrans-60.6-29.4174.5-166.960.4000112.3Y398 Y400 S423 I424 N425Y398-I421 HydrophobicContact CD2-CG1 4.15Å; Y398-I421 HydrophobicContact CE1-CG1 4.4Å; Y398-I421 HydrophobicContact CE2-CG1 3.76Å; Y398-I421 HydrophobicContact CE2-CG2 4.24Å; Y398-I421 WeakPolarHBondContact OH-CG2 3.24Å; Y400-I421 HydrophobicContact CE2-CD1 4.22Å; Y400-I421 WeakPolarHBondContact OH-CD1 3.23Å; Y400-I421 WeakPolarHBondContact OH-CG1 3.44Å; I421-S423 PolarHBondContact O-N 3.16Å; I421-I424 HydrophobicContact CD1-CB 4.32Å; I421-I424 HydrophobicContact CD1-CD1 4.01Å; I421-I424 WeakPolarHBondContact O-CB 3.49Å; I421-I424 PolarHBondContact O-N 3.38Å; I421-N425 PolarHBondContact O-N 2.87Å; I421-N425 VanDerWaalsContact O-N 3.11Å
422T91.1Very high90.5Very high8 Ų871.2 Ų71.25%0.04939%0.385CS..Hα-helixtrans-59.2-29.6175.9-59.50000112.2L381 E383 E420 I424 N425 Q426L381-T422 HydrophobicContact CB-CG2 4.04Å; E383-T422 HydrophobicContact CB-CG2 4.09Å; E383-T422 WeakPolarHBondContact OE2-CB 3.5Å; E383-T422 PolarHBondContact OE2-OG1 3.08Å; E420-T422 PolarHBondContact O-N 3.29Å; T422-I424 VanDerWaalsContact C-N 3.34Å; T422-I424 PolarHBondContact O-N 2.9Å; T422-N425 PolarHBondContact O-N 3.43Å; T422-Q426 WeakPolarHBondContact O-CB 3.48Å; T422-Q426 PolarHBondContact O-N 3.09Å
423S91.7Very high90.6Very high41 Ų4166.3 Ų66.329%0.28737%0.367SS..Hα-helixtrans-63.8-39.8173.1-54.50000112E420 I421 Q426 M427E420-S423 VanDerWaalsContact O-CB 3.28Å; E420-S423 WeakPolarHBondContact O-CB 3.35Å; E420-S423 PolarHBondContact O-N 3.15Å; E420-S423 PolarHBondContact O-OG 2.68Å; I421-S423 PolarHBondContact O-N 3.16Å; S423-Q426 PolarHBondContact O-N 2.65Å; S423-M427 VanDerWaalsContact O-CG 3.32Å; S423-M427 WeakPolarHBondContact O-CG 3.36Å; S423-M427 PolarHBondContact O-N 3Å
424I94.4Very high90.8Very high15 Ų1563.2 Ų63.28%0.07735%0.346CS..Hα-helixtrans-68.1-44.4177.3-62.6-175000110Y400 V404 A408 V411 I421 T422 Q426 M427 Y428Y400-I424 HydrophobicContact CE1-CG2 4.01Å; V404-I424 HydrophobicContact CG2-CD1 4.47Å; V404-I424 HydrophobicContact CG2-CG2 3.87Å; A408-I424 HydrophobicContact CB-CD1 3.99Å; V411-I424 HydrophobicContact CG2-CD1 4.12Å; V411-I424 HydrophobicContact CG2-CG1 3.57Å; I421-I424 HydrophobicContact CD1-CB 4.32Å; I421-I424 HydrophobicContact CD1-CD1 4.01Å; I421-I424 WeakPolarHBondContact O-CB 3.49Å; I421-I424 PolarHBondContact O-N 3.38Å; T422-I424 VanDerWaalsContact C-N 3.34Å; T422-I424 PolarHBondContact O-N 2.9Å; I424-Q426 VanDerWaalsContact C-N 3.29Å; I424-Q426 PolarHBondContact O-N 3.43Å; I424-M427 WeakPolarHBondContact O-CB 3.34Å; I424-M427 PolarHBondContact O-N 3.45Å; I424-Y428 HydrophobicContact CG2-CD2 4Å; I424-Y428 HydrophobicContact CG2-CE2 3.93Å; I424-Y428 WeakPolarHBondContact O-CD2 3.44Å; I424-Y428 PolarHBondContact O-N 2.67Å; I424-Y428 VanDerWaalsContact O-N 3.08Å
425N94.7Very high91.2Very high0 Ų063.5 Ų63.50%035%0.346CS..Hα-helixtrans-58.6-43.2176.6-67.6-31.7000111.7V356 L381 Y400 I421 T422 Y428 L429V356-N425 HydrophobicContact CG1-CB 4.5Å; V356-N425 VanDerWaalsContact CG1-OD1 3.25Å; V356-N425 WeakPolarHBondContact CG1-OD1 3.08Å; L381-N425 HydrophobicContact CD1-CB 4.25Å; L381-N425 HydrophobicContact CD2-CB 4.08Å; Y400-N425 WeakPolarHBondContact CE1-OD1 3.25Å; Y400-N425 PolarHBondContact OH-OD1 3.01Å; I421-N425 PolarHBondContact O-N 2.87Å; I421-N425 VanDerWaalsContact O-N 3.11Å; T422-N425 PolarHBondContact O-N 3.43Å; N425-Y428 PolarHBondContact O-N 3.24Å; N425-L429 PolarHBondContact O-N 2.67Å
426Q92.7Very high91.6Very high47 Ų4754.7 Ų54.722%0.2231%0.306CS..Hα-helixtrans-63-41176.5-175.160.731.900111.9L381 T422 S423 I424 Y428 L429 E430L381-Q426 VanDerWaalsContact N-OE1 3.14Å; T422-Q426 WeakPolarHBondContact O-CB 3.48Å; T422-Q426 PolarHBondContact O-N 3.09Å; S423-Q426 PolarHBondContact O-N 2.65Å; I424-Q426 VanDerWaalsContact C-N 3.29Å; I424-Q426 PolarHBondContact O-N 3.43Å; Q426-Y428 VanDerWaalsContact C-N 3.35Å; Q426-Y428 PolarHBondContact O-N 3.38Å; Q426-L429 WeakPolarHBondContact O-CB 3.46Å; Q426-L429 PolarHBondContact O-N 3.2Å; Q426-L429 VanDerWaalsContact O-N 3.15Å; Q426-E430 WeakPolarHBondContact CG-OE1 3.42Å; Q426-E430 PolarHBondContact NE2-OE1 3.31Å; Q426-E430 WeakPolarHBondContact O-CG 3.41Å; Q426-E430 PolarHBondContact O-N 2.95Å
427M94.5Very high91.9Very high42 Ų4246.8 Ų46.821%0.20728%0.278CS..Hα-helixtrans-61-40.7174.3-70.8173.2-175.500112.5Y407 Q410 V411 S423 I424 A431Y407-M427 HydrophobicContact CD1-CB 4.28Å; Y407-M427 HydrophobicContact CD1-SD 4.09Å; Y407-M427 HydrophobicContact CD2-CB 4.2Å; Y407-M427 HydrophobicContact CE1-CB 4.47Å; Y407-M427 HydrophobicContact CE2-CB 4.4Å; Y407-M427 HydrophobicContact CG-CB 4.15Å; Y407-M427 HydrophobicContact CG-SD 4.05Å; Q410-M427 HydrophobicContact CB-CE 4.06Å; V411-M427 HydrophobicContact CG2-CE 4.47Å; S423-M427 VanDerWaalsContact O-CG 3.32Å; S423-M427 WeakPolarHBondContact O-CG 3.36Å; S423-M427 PolarHBondContact O-N 3Å; I424-M427 WeakPolarHBondContact O-CB 3.34Å; I424-M427 PolarHBondContact O-N 3.45Å; M427-A431 WeakPolarHBondContact O-CB 3.46Å; M427-A431 PolarHBondContact O-N 3.42Å; M427-A431 VanDerWaalsContact O-N 3.1Å
428Y95.9Very high91.8Very high1 Ų146.3 Ų46.30%0.00426%0.261CS..Hα-helixtrans-66.9-36.8173.7-85.6-79.4000112.5A354 Y400 D401 V404 Y407 I424 N425 Q426 A431 G432 N433 L434A354-Y428 HydrophobicContact CB-CD1 3.54Å; A354-Y428 HydrophobicContact CB-CD2 3.61Å; A354-Y428 HydrophobicContact CB-CE1 3.94Å; A354-Y428 HydrophobicContact CB-CE2 3.98Å; A354-Y428 HydrophobicContact CB-CG 3.36Å; Y400-Y428 AromaticContact CD1-CD2 3.91Å; Y400-Y428 HydrophobicContact CD1-CD2 3.91Å; Y400-Y428 AromaticContact CD1-CE2 3.41Å; Y400-Y428 HydrophobicContact CD1-CE2 3.41Å; Y400-Y428 VanDerWaalsContact CD1-CE2 3.41Å; Y400-Y428 HydrophobicContact CE1-CD2 4.09Å; Y400-Y428 AromaticContact CE1-CE2 3.98Å; Y400-Y428 HydrophobicContact CE1-CE2 3.98Å; Y400-Y428 HydrophobicContact CG-CE2 4.28Å; D401-Y428 PolarHBondContact O-OH 3.3Å; D401-Y428 PolarHBondContact OD1-OH 3.15Å; V404-Y428 WeakPolarHBondContact CA-OH 3.39Å; V404-Y428 HydrophobicContact CB-CE2 4.35Å; V404-Y428 HydrophobicContact CG2-CE2 4.38Å; V404-Y428 PolarHBondContact N-OH 3.02Å; Y407-Y428 AromaticContact CD2-CD2 3.72Å; Y407-Y428 HydrophobicContact CD2-CD2 3.72Å; Y407-Y428 HydrophobicContact CD2-CE1 4.29Å; Y407-Y428 AromaticContact CD2-CE2 3.46Å; Y407-Y428 HydrophobicContact CD2-CE2 3.46Å; Y407-Y428 VanDerWaalsContact CD2-CE2 3.46Å; Y407-Y428 HydrophobicContact CD2-CG 4.25Å; Y407-Y428 AromaticContact CD2-CZ 3.77Å; Y407-Y428 AromaticContact CE2-CD1 3.86Å; Y407-Y428 HydrophobicContact CE2-CD1 3.86Å; Y407-Y428 AromaticContact CE2-CD2 3.83Å; Y407-Y428 HydrophobicContact CE2-CD2 3.83Å; Y407-Y428 AromaticContact CE2-CE1 3.79Å; Y407-Y428 HydrophobicContact CE2-CE1 3.79Å; Y407-Y428 AromaticContact CE2-CE2 3.78Å; Y407-Y428 HydrophobicContact CE2-CE2 3.78Å; Y407-Y428 AromaticContact CE2-CG 3.87Å; Y407-Y428 HydrophobicContact CE2-CG 3.87Å; Y407-Y428 AromaticContact CE2-CZ 3.75Å; I424-Y428 HydrophobicContact CG2-CD2 4Å; I424-Y428 HydrophobicContact CG2-CE2 3.93Å; I424-Y428 WeakPolarHBondContact O-CD2 3.44Å; I424-Y428 PolarHBondContact O-N 2.67Å; I424-Y428 VanDerWaalsContact O-N 3.08Å; N425-Y428 PolarHBondContact O-N 3.24Å; Q426-Y428 VanDerWaalsContact C-N 3.35Å; Q426-Y428 PolarHBondContact O-N 3.38Å; Y428-A431 PolarHBondContact O-N 3.04Å; Y428-G432 PolarHBondContact O-N 3.45Å; Y428-N433 HydrophobicContact CD1-CB 4.18Å; Y428-N433 CarbonylContact O-C 3.52Å; Y428-N433 PolarHBondContact O-N 2.83Å; Y428-L434 PolarHBondContact O-N 2.95Å
429L94.9Very high91.5Very high27 Ų2742.4 Ų42.414%0.14124%0.244CC..Hα-helixtrans-64.2-48.4176.9179.261.5000111.1A378 L381 N425 Q426 A431 G432 L434A378-L429 HydrophobicContact CB-CD1 4.06Å; A378-L429 WeakPolarHBondContact O-CD1 3.28Å; L381-L429 HydrophobicContact CD1-CB 4.05Å; L381-L429 HydrophobicContact CD1-CD2 3.61Å; L381-L429 HydrophobicContact CD1-CG 4.39Å; N425-L429 PolarHBondContact O-N 2.67Å; Q426-L429 WeakPolarHBondContact O-CB 3.46Å; Q426-L429 PolarHBondContact O-N 3.2Å; Q426-L429 VanDerWaalsContact O-N 3.15Å; L429-A431 PolarHBondContact O-N 3.25Å; L429-G432 WeakPolarHBondContact O-CA 3.35Å; L429-G432 PolarHBondContact O-N 3.44Å; L429-L434 HydrophobicContact CB-CB 4.09Å; L429-L434 HydrophobicContact CB-CD2 3.82Å; L429-L434 HydrophobicContact CD1-CB 4.31Å; L429-L434 HydrophobicContact CD1-CD2 4.22Å; L429-L434 HydrophobicContact CG-CD2 4.46Å
430E94Very high90.4Very high145 Ų14538.4 Ų38.468%0.67823%0.232SC*.Hα-helixtrans-62.2-32.4177.8-72.6170.4-171.800112.3Q426 G432Q426-E430 WeakPolarHBondContact CG-OE1 3.42Å; Q426-E430 PolarHBondContact NE2-OE1 3.31Å; Q426-E430 WeakPolarHBondContact O-CG 3.41Å; Q426-E430 PolarHBondContact O-N 2.95Å; E430-G432 PolarHBondContact O-N 3.22Å
431A94Very high88.7Confident45 Ų4538.6 Ų38.637%0.37223%0.231SC..THydrogen-bonded Turntrans-76.5-2.417300000113.9M427 Y428 L429 N433M427-A431 WeakPolarHBondContact O-CB 3.46Å; M427-A431 PolarHBondContact O-N 3.42Å; M427-A431 VanDerWaalsContact O-N 3.1Å; Y428-A431 PolarHBondContact O-N 3.04Å; L429-A431 PolarHBondContact O-N 3.25Å; A431-N433 PolarHBondContact O-N 3.27Å; A431-N433 PolarHBondContact O-ND2 2.87Å
432G93.2Very high87.3Confident65 Ų6538.6 Ų38.667%0.6725%0.245SC*.THydrogen-bonded Turntrans70.317.7-177.300000114.3Y428 L429 E430Y428-G432 PolarHBondContact O-N 3.45Å; L429-G432 WeakPolarHBondContact O-CA 3.35Å; L429-G432 PolarHBondContact O-N 3.44Å; E430-G432 PolarHBondContact O-N 3.22Å
433N93.8Very high86.4Confident72 Ų7240.9 Ų40.939%0.38525%0.254SS..  trans-11716.4-172-68-40.2000113.1G353 A354 Y428 A431G353-N433 WeakPolarHBondContact CA-O 3.4Å; A354-N433 PolarHBondContact N-O 3.33Å; Y428-N433 HydrophobicContact CD1-CB 4.18Å; Y428-N433 CarbonylContact O-C 3.52Å; Y428-N433 PolarHBondContact O-N 2.83Å; A431-N433 PolarHBondContact O-N 3.27Å; A431-N433 PolarHBondContact O-ND2 2.87Å
434L93.4Very high85.7Confident20 Ų2041.4 Ų41.411%0.10526%0.262CS..EExtended strand (participates in β ladder)trans-95.5130.4173.7-171.970.7000110.7A354 V356 L381 Y428 L429 V436A354-L434 HydrophobicContact CB-CD1 3.7Å; V356-L434 HydrophobicContact CG1-CD1 3.68Å; V356-L434 HydrophobicContact CG2-CD1 4.21Å; V356-L434 HydrophobicContact CG2-CD2 4.47Å; L381-L434 HydrophobicContact CD1-CD2 3.43Å; L381-L434 VanDerWaalsContact CD1-CD2 3.43Å; L381-L434 HydrophobicContact CD2-CD2 4.49Å; Y428-L434 PolarHBondContact O-N 2.95Å; L429-L434 HydrophobicContact CB-CB 4.09Å; L429-L434 HydrophobicContact CB-CD2 3.82Å; L429-L434 HydrophobicContact CD1-CB 4.31Å; L429-L434 HydrophobicContact CD1-CD2 4.22Å; L429-L434 HydrophobicContact CG-CD2 4.46Å; L434-V436 HydrophobicContact CD2-CG2 4.39Å
435T90.8Very high85.2Confident43 Ų4343.2 Ų43.226%0.26427%0.267SS..EExtended strand (participates in β ladder)trans-111.8142.9164.5-62.20000110R350 A354 T355 V356 E437R350-T435 VanDerWaalsContact NH1-CG2 3.3Å; R350-T435 PolarHBondContact NH1-OG1 3.06Å; A354-T435 PolarHBondContact O-N 3.41Å; T355-T435 VanDerWaalsContact CA-O 3.3Å; T355-T435 WeakPolarHBondContact CA-O 3.39Å; T355-T435 HydrophobicContact CG2-CG2 4.4Å; V356-T435 PolarHBondContact N-O 3.45Å; T435-E437 HydrophobicContact CG2-CG 4.47Å
436V89.9Confident84.7Confident26 Ų2645.9 Ų45.916%0.15828%0.281CS..EExtended strand (participates in β ladder)trans-115.7123.6173.1-171.50000109.9V356 V370 F372 A378 L434 L438V356-V436 HydrophobicContact CG2-CB 4.19Å; V356-V436 HydrophobicContact CG2-CG1 4.05Å; V356-V436 HydrophobicContact CG2-CG2 3.69Å; V356-V436 CarbonylContact O-C 3.53Å; V356-V436 WeakPolarHBondContact O-CA 3.5Å; V370-V436 HydrophobicContact CG1-CG1 4.24Å; V370-V436 HydrophobicContact CG2-CG2 4.02Å; F372-V436 HydrophobicContact CE1-CB 3.94Å; F372-V436 HydrophobicContact CE1-CG1 4.1Å; F372-V436 HydrophobicContact CE1-CG2 4.2Å; F372-V436 HydrophobicContact CZ-CB 4.07Å; F372-V436 HydrophobicContact CZ-CG1 3.69Å; F372-V436 HydrophobicContact CZ-CG2 4.45Å; A378-V436 HydrophobicContact CB-CG2 3.61Å; L434-V436 HydrophobicContact CD2-CG2 4.39Å; V436-L438 HydrophobicContact CG1-CD2 4.08Å
437E86.9Confident84.3Confident23 Ų2346.4 Ų46.411%0.10729%0.286CS..EExtended strand (participates in β ladder)trans-103.6115.8176.7-73.4-71.2167.600110K343 V347 T355 V356 F357 G358 T435 L439K343-E437 WeakPolarHBondContact CD-OE2 3.31Å; K343-E437 WeakPolarHBondContact CE-OE2 2.98Å; K343-E437 IonicContact NZ-OE2 3.86Å; K343-E437 PolarHBondContact NZ-OE2 3.33Å; V347-E437 HydrophobicContact CG2-CG 3.52Å; T355-E437 HydrophobicContact CG2-CB 4.23Å; T355-E437 HydrophobicContact CG2-CG 3.59Å; V356-E437 PolarHBondContact O-N 2.98Å; F357-E437 CarbonylContact C-O 3.6Å; F357-E437 WeakPolarHBondContact CA-O 3.47Å; F357-E437 HydrophobicContact CD1-CB 3.49Å; F357-E437 VanDerWaalsContact CD1-CB 3.49Å; F357-E437 HydrophobicContact CE1-CB 3.56Å; F357-E437 HydrophobicContact CE1-CG 4.21Å; F357-E437 HydrophobicContact CG-CB 4.35Å; F357-E437 HydrophobicContact CZ-CB 4.47Å; G358-E437 PolarHBondContact N-O 3.35Å; T435-E437 HydrophobicContact CG2-CG 4.47Å; E437-L439 PolarHBondContact O-N 2.75Å
438L85.1Confident84Confident46 Ų4647.9 Ų47.924%0.24130%0.297CS..EExtended strand (participates in β ladder)trans-79.2118.3-178.6-53-179.6000109.9G358 F372 F376 W392 V436 G440G358-L438 WeakPolarHBondContact O-CA 3.3Å; F372-L438 HydrophobicContact CE1-CD2 4.42Å; F372-L438 HydrophobicContact CE2-CD2 4Å; F372-L438 HydrophobicContact CZ-CD2 3.57Å; F376-L438 HydrophobicContact CD1-CD1 4.05Å; F376-L438 HydrophobicContact CE1-CD1 4.45Å; W392-L438 HydrophobicContact CD2-CD2 4.07Å; W392-L438 HydrophobicContact CE3-CD2 3.74Å; W392-L438 HydrophobicContact CH2-CB 3.9Å; W392-L438 HydrophobicContact CH2-CD1 3.84Å; W392-L438 HydrophobicContact CH2-CD2 3.99Å; W392-L438 HydrophobicContact CH2-CG 4.11Å; W392-L438 HydrophobicContact CZ2-CD1 3.91Å; W392-L438 HydrophobicContact CZ2-CD2 4.3Å; W392-L438 HydrophobicContact CZ3-CB 3.89Å; W392-L438 HydrophobicContact CZ3-CD1 4.39Å; W392-L438 HydrophobicContact CZ3-CD2 3.7Å; W392-L438 HydrophobicContact CZ3-CG 4.18Å; V436-L438 HydrophobicContact CG1-CD2 4.08Å; L438-G440 PolarHBondContact O-N 2.95Å
439L78.6Confident83.4Confident20 Ų2050.9 Ų50.911%0.10533%0.328CS..  trans-78.6103.2169.6-61.8-172000108.3F357 G358 Y359 T395 E437 F443F357-L439 HydrophobicContact CB-CD1 4.16Å; F357-L439 HydrophobicContact CB-CD2 4.41Å; F357-L439 HydrophobicContact CB-CG 4.02Å; F357-L439 HydrophobicContact CD1-CD2 3.59Å; F357-L439 HydrophobicContact CD1-CG 4.13Å; F357-L439 HydrophobicContact CE1-CD2 4.34Å; F357-L439 HydrophobicContact CG-CD2 4.35Å; F357-L439 HydrophobicContact CG-CG 4.48Å; G358-L439 PolarHBondContact O-N 3Å; Y359-L439 HydrophobicContact CD2-CB 3.91Å; T395-L439 HydrophobicContact CG2-CD1 3.93Å; E437-L439 PolarHBondContact O-N 2.75Å; L439-F443 HydrophobicContact CB-CB 4.15Å; L439-F443 HydrophobicContact CB-CD2 4.12Å; L439-F443 HydrophobicContact CB-CG 4.12Å; L439-F443 HydrophobicContact CD1-CB 4.48Å; L439-F443 HydrophobicContact CD1-CD1 4.44Å; L439-F443 HydrophobicContact CD1-CG 4.41Å; L439-F443 HydrophobicContact CD2-CD1 4.07Å; L439-F443 HydrophobicContact CD2-CD2 4.01Å; L439-F443 HydrophobicContact CD2-CE1 4.08Å; L439-F443 HydrophobicContact CD2-CE2 3.99Å; L439-F443 HydrophobicContact CD2-CG 4.04Å; L439-F443 HydrophobicContact CD2-CZ 4.03Å; L439-F443 HydrophobicContact CG-CG 4.42Å
440G67Low82.9Confident36 Ų3653 Ų5337%0.37134%0.342SS..  trans-86.4-149.2175.500000112.4L438L438-G440 PolarHBondContact O-N 2.95Å
441R55.3Low82.6Confident31 Ų3152.7 Ų52.712%0.11734%0.341CS..THydrogen-bonded Turntrans-51.6154.9176.5-157.2178.8-168.4169.20.8111.3Y37 A38 F196 Q340 F443Y37-R441 PolarHBondContact O-NE 3.18Å; Y37-R441 PolarHBondContact O-NH2 3.37Å; A38-R441 PolarHBondContact O-NH2 3.44Å; F196-R441 HydrophobicContact CE2-CG 4.26Å; F196-R441 VanDerWaalsContact CE2-NE 3.26Å; Q340-R441 WeakPolarHBondContact CG-O 3.27Å; Q340-R441 VanDerWaalsContact NE2-C 3.27Å; Q340-R441 PolarHBondContact NE2-O 2.99Å; Q340-R441 PolarHBondContact OE1-O 3.41Å; R441-F443 PolarHBondContact O-N 3.34Å; R441-F443 VanDerWaalsContact O-N 3.14Å
442G62.2Low82.2Confident57 Ų5756.4 Ų56.459%0.58835%0.354SS*.THydrogen-bonded Turntrans72.9-7.8175.900000116.3
443F72.2Confident81.8Confident56 Ų5654.1 Ų54.125%0.24633%0.328CS..  trans-87.7134.7155.8-64.3-83000109.4Q340 L344 L439 R441Q340-F443 HydrophobicContact CB-CE2 3.67Å; Q340-F443 HydrophobicContact CB-CZ 4.12Å; Q340-F443 HydrophobicContact CG-CE2 4.12Å; L344-F443 HydrophobicContact CD1-CE1 3.81Å; L344-F443 HydrophobicContact CD1-CZ 4.05Å; L439-F443 HydrophobicContact CB-CB 4.15Å; L439-F443 HydrophobicContact CB-CD2 4.12Å; L439-F443 HydrophobicContact CB-CG 4.12Å; L439-F443 HydrophobicContact CD1-CB 4.48Å; L439-F443 HydrophobicContact CD1-CD1 4.44Å; L439-F443 HydrophobicContact CD1-CG 4.41Å; L439-F443 HydrophobicContact CD2-CD1 4.07Å; L439-F443 HydrophobicContact CD2-CD2 4.01Å; L439-F443 HydrophobicContact CD2-CE1 4.08Å; L439-F443 HydrophobicContact CD2-CE2 3.99Å; L439-F443 HydrophobicContact CD2-CG 4.04Å; L439-F443 HydrophobicContact CD2-CZ 4.03Å; L439-F443 HydrophobicContact CG-CG 4.42Å; R441-F443 PolarHBondContact O-N 3.34Å; R441-F443 VanDerWaalsContact O-N 3.14Å
444A76.1Confident81.6Confident53 Ų5354.7 Ų54.744%0.43833%0.33SS..  trans-108.9119.9162.300000106.6F460A444-F460 HydrophobicContact CB-CE1 3.7Å; A444-F460 HydrophobicContact CB-CE2 4.03Å; A444-F460 HydrophobicContact CB-CZ 3.42Å; A444-F460 VanDerWaalsContact CB-CZ 3.42Å
445W85.2Confident81.5Confident52 Ų5257.8 Ų57.820%0.19735%0.346CS..  trans-106.9127.6172.8-179.977.5000109.1Y359 V361 F367 T395 D447Y359-W445 HydrophobicContact CD1-CB 3.9Å; Y359-W445 HydrophobicContact CD1-CD2 4.44Å; Y359-W445 AromaticContact CD1-CE3 3.97Å; Y359-W445 HydrophobicContact CD1-CE3 3.97Å; Y359-W445 HydrophobicContact CD1-CG 4.46Å; Y359-W445 HydrophobicContact CD2-CB 3.79Å; Y359-W445 HydrophobicContact CE1-CB 4.05Å; Y359-W445 HydrophobicContact CE1-CE3 4.44Å; Y359-W445 HydrophobicContact CE2-CB 3.93Å; Y359-W445 HydrophobicContact CG-CB 3.76Å; Y359-W445 HydrophobicContact CG-CG 4.37Å; V361-W445 HydrophobicContact CG1-CE3 4.1Å; V361-W445 HydrophobicContact CG1-CZ3 3.67Å; F367-W445 AromaticContact CD1-CH2 3.67Å; F367-W445 HydrophobicContact CD1-CH2 3.67Å; F367-W445 HydrophobicContact CD1-CZ2 4.43Å; F367-W445 HydrophobicContact CD2-CH2 4.33Å; F367-W445 AromaticContact CE1-CH2 3.43Å; F367-W445 HydrophobicContact CE1-CH2 3.43Å; F367-W445 VanDerWaalsContact CE1-CH2 3.43Å; F367-W445 HydrophobicContact CE1-CZ2 4.37Å; F367-W445 HydrophobicContact CE1-CZ3 4.17Å; F367-W445 HydrophobicContact CE2-CH2 4.08Å; F367-W445 HydrophobicContact CE2-CZ3 4.14Å; F367-W445 HydrophobicContact CG-CH2 4.11Å; F367-W445 AromaticContact CZ-CH2 3.63Å; F367-W445 HydrophobicContact CZ-CH2 3.63Å; F367-W445 AromaticContact CZ-CZ3 3.88Å; F367-W445 HydrophobicContact CZ-CZ3 3.88Å; T395-W445 VanDerWaalsContact CB-CD1 3.49Å; T395-W445 HydrophobicContact CG2-CD2 4.32Å; T395-W445 HydrophobicContact CG2-CG 3.98Å; T395-W445 PolarHBondContact O-NE1 3.12Å; W445-D447 HydrophobicContact CH2-CB 3.91Å; W445-D447 HydrophobicContact CZ2-CB 4.19Å; W445-D447 HydrophobicContact CZ3-CB 4.36Å
446L83.7Confident81.2Confident56 Ų5661.6 Ų61.629%0.29336%0.361SS..  trans-130.9117.1-177.1-64.3167.9000107.3T448 A457 F460L446-T448 PolarHBondContact O-N 3.14Å; L446-A457 HydrophobicContact CB-CB 4.18Å; L446-A457 HydrophobicContact CD1-CB 3.72Å; L446-F460 HydrophobicContact CD1-CB 4.13Å; L446-F460 HydrophobicContact CD1-CD1 4.38Å; L446-F460 HydrophobicContact CD1-CG 4.27Å
447D84.3Confident81.1Confident59 Ų5960.9 Ų60.932%0.31636%0.358SS..  trans-73.8102.6170.6171.230.6000108.8R366 F367 W445 G449 S453R366-D447 IonicContact NH2-OD2 3.14Å; R366-D447 PolarHBondContact NH2-OD2 3.31Å; F367-D447 HydrophobicContact CE1-CB 3.9Å; F367-D447 HydrophobicContact CZ-CB 4.25Å; W445-D447 HydrophobicContact CH2-CB 3.91Å; W445-D447 HydrophobicContact CZ2-CB 4.19Å; W445-D447 HydrophobicContact CZ3-CB 4.36Å; D447-G449 PolarHBondContact O-N 3.47Å; D447-G449 VanDerWaalsContact O-N 3.13Å; D447-G449 PolarHBondContact OD1-N 3.07Å; D447-S453 WeakPolarHBondContact O-CB 3.4Å; D447-S453 PolarHBondContact O-OG 3.19Å
448T86.9Confident81.2Confident73 Ų7363 Ų6345%0.44838%0.375SS..  trans-8430.4-17862.20000113.3L446 T450 S453 L454 A457L446-T448 PolarHBondContact O-N 3.14Å; T448-T450 VanDerWaalsContact C-N 3.32Å; T448-T450 PolarHBondContact O-N 3.16Å; T448-S453 VanDerWaalsContact C-OG 3.32Å; T448-S453 WeakPolarHBondContact CA-OG 3.25Å; T448-L454 HydrophobicContact CG2-CD1 4.31Å; T448-A457 HydrophobicContact CG2-CB 3.58Å
449G83.6Confident81.4Confident63 Ų6364.1 Ų64.165%0.64938%0.384SS*.  trans-74.1-15-176.700000115.1D447 S453D447-G449 PolarHBondContact O-N 3.47Å; D447-G449 VanDerWaalsContact O-N 3.13Å; D447-G449 PolarHBondContact OD1-N 3.07Å; G449-S453 PolarHBondContact N-OG 3.27Å
450T85.2Confident81.7Confident71 Ų7167.8 Ų67.844%0.43640%0.399SS..SBendtrans-120.3159.8178.873.60000111.9T448 D452 S453 L454T448-T450 VanDerWaalsContact C-N 3.32Å; T448-T450 PolarHBondContact O-N 3.16Å; T450-D452 VanDerWaalsContact C-N 3.3Å; T450-D452 PolarHBondContact O-N 3.31Å; T450-S453 WeakPolarHBondContact CA-OG 3.36Å; T450-S453 PolarHBondContact N-OG 2.87Å; T450-S453 PolarHBondContact O-N 2.83Å; T450-S453 PolarHBondContact O-OG 2.95Å; T450-S453 WeakPolarHBondContact OG1-CB 3.4Å; T450-S453 PolarHBondContact OG1-N 3.05Å; T450-S453 VanDerWaalsContact OG1-N 3.13Å; T450-S453 PolarHBondContact OG1-OG 3.27Å; T450-L454 WeakPolarHBondContact O-CB 3.47Å; T450-L454 PolarHBondContact O-N 3.24Å
451H87.5Confident82.7Confident140 Ų14068.7 Ų68.765%0.64840%0.397SS*.Hα-helixtrans-57.5-43.7176.4-173.163.2000112.4L454 I455H451-L454 PolarHBondContact O-N 2.88Å; H451-I455 WeakPolarHBondContact O-CG1 3.47Å; H451-I455 PolarHBondContact O-N 3.07Å; H451-I455 VanDerWaalsContact O-N 3.12Å
452D85.5Confident84.2Confident123 Ų12373.4 Ų73.466%0.65842%0.421SS*.Hα-helixtrans-64.5-45.7179.7-62.6-27.8000111.5T450 L454 I455 E456T450-D452 VanDerWaalsContact C-N 3.3Å; T450-D452 PolarHBondContact O-N 3.31Å; D452-L454 VanDerWaalsContact C-N 3.28Å; D452-L454 PolarHBondContact O-N 2.9Å; D452-I455 PolarHBondContact O-N 3.26Å; D452-E456 PolarHBondContact O-N 2.79Å
453S85.1Confident85Confident16 Ų1673.6 Ų73.611%0.11241%0.411CS..Hα-helixtrans-64-32.9177.765.80000113.1D447 T448 G449 T450 E456 A457D447-S453 WeakPolarHBondContact O-CB 3.4Å; D447-S453 PolarHBondContact O-OG 3.19Å; T448-S453 VanDerWaalsContact C-OG 3.32Å; T448-S453 WeakPolarHBondContact CA-OG 3.25Å; G449-S453 PolarHBondContact N-OG 3.27Å; T450-S453 WeakPolarHBondContact CA-OG 3.36Å; T450-S453 PolarHBondContact N-OG 2.87Å; T450-S453 PolarHBondContact O-N 2.83Å; T450-S453 PolarHBondContact O-OG 2.95Å; T450-S453 WeakPolarHBondContact OG1-CB 3.4Å; T450-S453 PolarHBondContact OG1-N 3.05Å; T450-S453 VanDerWaalsContact OG1-N 3.13Å; T450-S453 PolarHBondContact OG1-OG 3.27Å; S453-E456 PolarHBondContact O-N 3.35Å; S453-A457 WeakPolarHBondContact O-CB 3.41Å; S453-A457 PolarHBondContact O-N 3.37Å
454L89.5Confident85.2Confident85 Ų8572.7 Ų72.745%0.44541%0.41SS..Hα-helixtrans-68.8-38.2175.5-175.666000111.6T448 T450 H451 D452 S458T448-L454 HydrophobicContact CG2-CD1 4.31Å; T450-L454 WeakPolarHBondContact O-CB 3.47Å; T450-L454 PolarHBondContact O-N 3.24Å; H451-L454 PolarHBondContact O-N 2.88Å; D452-L454 VanDerWaalsContact C-N 3.28Å; D452-L454 PolarHBondContact O-N 2.9Å; L454-S458 WeakPolarHBondContact O-CB 3.36Å; L454-S458 PolarHBondContact O-N 2.73Å; L454-S458 PolarHBondContact O-OG 3.07Å
455I90.2Very high85.6Confident85 Ų8572 Ų7244%0.43640%0.397SS..Hα-helixtrans-66-43.4174.3-69.7170.3000110.5H451 D452 S458 T459H451-I455 WeakPolarHBondContact O-CG1 3.47Å; H451-I455 PolarHBondContact O-N 3.07Å; H451-I455 VanDerWaalsContact O-N 3.12Å; D452-I455 PolarHBondContact O-N 3.26Å; I455-S458 PolarHBondContact O-N 2.92Å; I455-T459 WeakPolarHBondContact O-CB 3.39Å; I455-T459 PolarHBondContact O-N 3.49Å; I455-T459 PolarHBondContact O-OG1 3.39Å
456E84.4Confident85.3Confident122 Ų12278.2 Ų78.257%0.5743%0.426SS*.Hα-helixtrans-59-50.1176.5-174.9179.1-177.800111.1D452 S453 S458 T459 F460D452-E456 PolarHBondContact O-N 2.79Å; S453-E456 PolarHBondContact O-N 3.35Å; E456-S458 VanDerWaalsContact C-N 3.34Å; E456-S458 PolarHBondContact O-N 3.35Å; E456-T459 PolarHBondContact O-N 3.27Å; E456-F460 WeakPolarHBondContact O-CB 3.34Å; E456-F460 PolarHBondContact O-N 3Å
457A88.3Confident84.6Confident12 Ų1281.4 Ų81.410%0.09943%0.434CS..Hα-helixtrans-60.6-41.3175.800000112.9L446 T448 S453 T459 F460 V461L446-A457 HydrophobicContact CB-CB 4.18Å; L446-A457 HydrophobicContact CD1-CB 3.72Å; T448-A457 HydrophobicContact CG2-CB 3.58Å; S453-A457 WeakPolarHBondContact O-CB 3.41Å; S453-A457 PolarHBondContact O-N 3.37Å; A457-T459 VanDerWaalsContact C-N 3.34Å; A457-T459 PolarHBondContact O-N 3.32Å; A457-F460 PolarHBondContact O-N 2.92Å; A457-V461 WeakPolarHBondContact O-CB 3.34Å; A457-V461 WeakPolarHBondContact O-CG2 3.35Å; A457-V461 PolarHBondContact O-N 3.39Å
458S89.3Confident83.9Confident67 Ų6784.8 Ų84.847%0.46945%0.448SS..Hα-helixtrans-62.7-41.6176.5-60.80000111.8L454 I455 E456 Q462L454-S458 WeakPolarHBondContact O-CB 3.36Å; L454-S458 PolarHBondContact O-N 2.73Å; L454-S458 PolarHBondContact O-OG 3.07Å; I455-S458 PolarHBondContact O-N 2.92Å; E456-S458 VanDerWaalsContact C-N 3.34Å; E456-S458 PolarHBondContact O-N 3.35Å; S458-Q462 VanDerWaalsContact O-CB 3.29Å; S458-Q462 WeakPolarHBondContact O-CB 3.32Å; S458-Q462 PolarHBondContact O-N 3.22Å
459T89.2Confident83.3Confident70 Ų7084.2 Ų84.243%0.42946%0.456SS..Hα-helixtrans-67.6-40.4177.8-55.50000111.2I455 E456 A457 T463I455-T459 WeakPolarHBondContact O-CB 3.39Å; I455-T459 PolarHBondContact O-N 3.49Å; I455-T459 PolarHBondContact O-OG1 3.39Å; E456-T459 PolarHBondContact O-N 3.27Å; A457-T459 VanDerWaalsContact C-N 3.34Å; A457-T459 PolarHBondContact O-N 3.32Å; T459-T463 WeakPolarHBondContact O-CB 3.36Å; T459-T463 PolarHBondContact O-N 3.2Å; T459-T463 PolarHBondContact O-OG1 2.78Å
460F85.3Confident83.2Confident97 Ų9784.8 Ų84.843%0.42544%0.441SS..Hα-helixtrans-60.4-52.8174.6-178.7-94.6000111.1A444 L446 E456 A457 Q462 T463 V464A444-F460 HydrophobicContact CB-CE1 3.7Å; A444-F460 HydrophobicContact CB-CE2 4.03Å; A444-F460 HydrophobicContact CB-CZ 3.42Å; A444-F460 VanDerWaalsContact CB-CZ 3.42Å; L446-F460 HydrophobicContact CD1-CB 4.13Å; L446-F460 HydrophobicContact CD1-CD1 4.38Å; L446-F460 HydrophobicContact CD1-CG 4.27Å; E456-F460 WeakPolarHBondContact O-CB 3.34Å; E456-F460 PolarHBondContact O-N 3Å; A457-F460 PolarHBondContact O-N 2.92Å; F460-Q462 PolarHBondContact O-N 2.99Å; F460-T463 PolarHBondContact O-N 2.96Å; F460-V464 HydrophobicContact CD1-CG2 4.31Å; F460-V464 HydrophobicContact CE1-CG2 3.93Å; F460-V464 HydrophobicContact CE2-CG2 4.41Å; F460-V464 HydrophobicContact CZ-CG2 3.98Å; F460-V464 WeakPolarHBondContact O-CG2 3.25Å; F460-V464 PolarHBondContact O-N 3.41Å
461V87.2Confident83.3Confident54 Ų5484 Ų8433%0.32743%0.432SS..Hα-helixtrans-57-49.7177.5167.20000110.8A457 T463 V464 E465 I472A457-V461 WeakPolarHBondContact O-CB 3.34Å; A457-V461 WeakPolarHBondContact O-CG2 3.35Å; A457-V461 PolarHBondContact O-N 3.39Å; V461-T463 VanDerWaalsContact C-N 3.29Å; V461-T463 PolarHBondContact O-N 3.01Å; V461-V464 PolarHBondContact O-N 2.77Å; V461-E465 HydrophobicContact CG1-CG 4.29Å; V461-E465 WeakPolarHBondContact O-CG 3.41Å; V461-E465 PolarHBondContact O-N 3.27Å; V461-I472 HydrophobicContact CB-CD1 4.25Å; V461-I472 HydrophobicContact CG1-CB 4.38Å; V461-I472 HydrophobicContact CG1-CD1 4Å; V461-I472 HydrophobicContact CG2-CD1 4.16Å
462Q87.8Confident83.2Confident131 Ų13180.4 Ų80.461%0.61242%0.416SS*.Hα-helixtrans-57.5-42.5178.9-176-176.845.700112.1S458 F460 K466S458-Q462 VanDerWaalsContact O-CB 3.29Å; S458-Q462 WeakPolarHBondContact O-CB 3.32Å; S458-Q462 PolarHBondContact O-N 3.22Å; F460-Q462 PolarHBondContact O-N 2.99Å; Q462-K466 VanDerWaalsContact O-CB 3.25Å; Q462-K466 WeakPolarHBondContact O-CB 3.27Å; Q462-K466 PolarHBondContact O-N 3.31Å
463T78.6Confident83.1Confident61 Ų6178.3 Ų78.337%0.37442%0.416SS..Hα-helixtrans-64.6-45.5179.6-60.70000111.1T459 F460 V461 R467T459-T463 WeakPolarHBondContact O-CB 3.36Å; T459-T463 PolarHBondContact O-N 3.2Å; T459-T463 PolarHBondContact O-OG1 2.78Å; F460-T463 PolarHBondContact O-N 2.96Å; V461-T463 VanDerWaalsContact C-N 3.29Å; V461-T463 PolarHBondContact O-N 3.01Å; T463-R467 WeakPolarHBondContact O-CB 3.32Å; T463-R467 WeakPolarHBondContact O-CG 3.34Å; T463-R467 PolarHBondContact O-N 2.83Å
464V77.2Confident83.4Confident37 Ų3777.7 Ų77.722%0.22441%0.411CS..Hα-helixtrans-64.1-50.21791750000110.7F460 V461 K466 R467 Q468 F470 I472F460-V464 HydrophobicContact CD1-CG2 4.31Å; F460-V464 HydrophobicContact CE1-CG2 3.93Å; F460-V464 HydrophobicContact CE2-CG2 4.41Å; F460-V464 HydrophobicContact CZ-CG2 3.98Å; F460-V464 WeakPolarHBondContact O-CG2 3.25Å; F460-V464 PolarHBondContact O-N 3.41Å; V461-V464 PolarHBondContact O-N 2.77Å; V464-K466 VanDerWaalsContact C-N 3.34Å; V464-K466 PolarHBondContact O-N 3.45Å; V464-R467 PolarHBondContact O-N 3.44Å; V464-Q468 HydrophobicContact CG1-CG 4.22Å; V464-Q468 WeakPolarHBondContact O-CB 3.39Å; V464-Q468 WeakPolarHBondContact O-CG 3.49Å; V464-Q468 PolarHBondContact O-N 2.91Å; V464-F470 HydrophobicContact CG1-CE2 4.11Å; V464-F470 HydrophobicContact CG1-CZ 3.81Å; V464-I472 HydrophobicContact CB-CD1 3.92Å; V464-I472 HydrophobicContact CG1-CD1 3.84Å
465E84.2Confident83.5Confident37 Ų3779.6 Ų79.617%0.17342%0.421CS..Hα-helixtrans-58.5-45179.5-70.1-165.1156.300112.1V461 R467 G469 F470 K471 I472V461-E465 HydrophobicContact CG1-CG 4.29Å; V461-E465 WeakPolarHBondContact O-CG 3.41Å; V461-E465 PolarHBondContact O-N 3.27Å; E465-R467 PolarHBondContact O-N 2.92Å; E465-G469 WeakPolarHBondContact O-CA 3.29Å; E465-G469 PolarHBondContact O-N 2.88Å; E465-F470 VanDerWaalsContact CA-O 3.27Å; E465-F470 WeakPolarHBondContact CA-O 3.49Å; E465-F470 VanDerWaalsContact CB-O 3.24Å; E465-F470 WeakPolarHBondContact CB-O 3.43Å; E465-F470 VanDerWaalsContact CG-O 3.31Å; E465-F470 WeakPolarHBondContact CG-O 3.32Å; E465-K471 VanDerWaalsContact CD-CD 3.4Å; E465-K471 HydrophobicContact CG-CD 4.4Å; E465-K471 WeakPolarHBondContact OE1-CA 3.48Å; E465-K471 VanDerWaalsContact OE1-CD 3.3Å; E465-K471 WeakPolarHBondContact OE1-CD 3.27Å; E465-K471 VanDerWaalsContact OE2-CD 3.23Å; E465-K471 WeakPolarHBondContact OE2-CD 3.19Å; E465-K471 IonicContact OE2-NZ 3.66Å; E465-K471 PolarHBondContact OE2-NZ 3.21Å; E465-I472 HydrophobicContact CG-CB 4.43Å; E465-I472 HydrophobicContact CG-CD1 4.24Å; E465-I472 HydrophobicContact CG-CG1 4.04Å; E465-I472 PolarHBondContact OE1-N 3.46Å
466K77.9Confident83.6Confident183 Ų18378 Ų7880%0.79641%0.412SS*.Hα-helixtrans-64.5-40.5-179.9-175-178.1177.5-173.90112.2Q462 V464Q462-K466 VanDerWaalsContact O-CB 3.25Å; Q462-K466 WeakPolarHBondContact O-CB 3.27Å; Q462-K466 PolarHBondContact O-N 3.31Å; V464-K466 VanDerWaalsContact C-N 3.34Å; V464-K466 PolarHBondContact O-N 3.45Å
467R69.4Low83.9Confident124 Ų12473.3 Ų73.347%0.46839%0.39SS..Hα-helixtrans-76.9-36.2-177.7-75-175.5-179.6-112.3-1.7112.9D92 T463 V464 E465D92-R467 IonicContact OD2-CZ 2.81Å; D92-R467 VanDerWaalsContact OD2-CZ 3.26Å; D92-R467 IonicContact OD2-NH1 3.77Å; D92-R467 PolarHBondContact OD2-NH1 2.84Å; D92-R467 IonicContact OD2-NH2 2.99Å; D92-R467 PolarHBondContact OD2-NH2 2.82Å; T463-R467 WeakPolarHBondContact O-CB 3.32Å; T463-R467 WeakPolarHBondContact O-CG 3.34Å; T463-R467 PolarHBondContact O-N 2.83Å; V464-R467 PolarHBondContact O-N 3.44Å; E465-R467 PolarHBondContact O-N 2.92Å
468Q70.4Confident83.8Confident130 Ų13076.4 Ų76.461%0.60740%0.404SS*.Hα-helixtrans-96-11-173.7-61.8-72.4-29.200113.3V464 F470V464-Q468 HydrophobicContact CG1-CG 4.22Å; V464-Q468 WeakPolarHBondContact O-CB 3.39Å; V464-Q468 WeakPolarHBondContact O-CG 3.49Å; V464-Q468 PolarHBondContact O-N 2.91Å; Q468-F470 VanDerWaalsContact C-N 3.27Å; Q468-F470 HydrophobicContact CB-CD1 3.26Å; Q468-F470 HydrophobicContact CB-CE1 3.07Å; Q468-F470 HydrophobicContact CB-CG 4.17Å; Q468-F470 HydrophobicContact CB-CZ 3.83Å; Q468-F470 HydrophobicContact CG-CD1 4.24Å; Q468-F470 HydrophobicContact CG-CE1 3.53Å; Q468-F470 HydrophobicContact CG-CZ 4.01Å; Q468-F470 PolarHBondContact O-N 2.82Å
469G73.6Confident83.9Confident60 Ų6074.2 Ų74.262%0.61939%0.39SS*.THydrogen-bonded Turntrans68.824.117900000113.7E465E465-G469 WeakPolarHBondContact O-CA 3.29Å; E465-G469 PolarHBondContact O-N 2.88Å
470F80.8Confident84Confident76 Ų7672.9 Ų72.933%0.33338%0.377SS..SBendtrans-126.3168.8176.266.6-112.9000112.3V464 E465 Q468 I472 Y505V464-F470 HydrophobicContact CG1-CE2 4.11Å; V464-F470 HydrophobicContact CG1-CZ 3.81Å; E465-F470 VanDerWaalsContact CA-O 3.27Å; E465-F470 WeakPolarHBondContact CA-O 3.49Å; E465-F470 VanDerWaalsContact CB-O 3.24Å; E465-F470 WeakPolarHBondContact CB-O 3.43Å; E465-F470 VanDerWaalsContact CG-O 3.31Å; E465-F470 WeakPolarHBondContact CG-O 3.32Å; Q468-F470 VanDerWaalsContact C-N 3.27Å; Q468-F470 HydrophobicContact CB-CD1 3.26Å; Q468-F470 HydrophobicContact CB-CE1 3.07Å; Q468-F470 HydrophobicContact CB-CG 4.17Å; Q468-F470 HydrophobicContact CB-CZ 3.83Å; Q468-F470 HydrophobicContact CG-CD1 4.24Å; Q468-F470 HydrophobicContact CG-CE1 3.53Å; Q468-F470 HydrophobicContact CG-CZ 4.01Å; Q468-F470 PolarHBondContact O-N 2.82Å; F470-I472 HydrophobicContact CD2-CG1 4.34Å; F470-I472 HydrophobicContact CE2-CG1 3.72Å; F470-Y505 HydrophobicContact CB-CE2 4.31Å
471K87.3Confident83.8Confident55 Ų5576.1 Ų76.124%0.23939%0.387CS..  trans-103.2128.6172.2-67.5-57.3-171.1-170.80112E465 C474 Y502 Y505E465-K471 VanDerWaalsContact CD-CD 3.4Å; E465-K471 HydrophobicContact CG-CD 4.4Å; E465-K471 WeakPolarHBondContact OE1-CA 3.48Å; E465-K471 VanDerWaalsContact OE1-CD 3.3Å; E465-K471 WeakPolarHBondContact OE1-CD 3.27Å; E465-K471 VanDerWaalsContact OE2-CD 3.23Å; E465-K471 WeakPolarHBondContact OE2-CD 3.19Å; E465-K471 IonicContact OE2-NZ 3.66Å; E465-K471 PolarHBondContact OE2-NZ 3.21Å; K471-C474 HydrophobicContact CB-CB 3.92Å; K471-Y502 HydrophobicContact CB-CE2 4.44Å; K471-Y502 HydrophobicContact CG-CD2 4.22Å; K471-Y505 HydrophobicContact CB-CD1 3.78Å; K471-Y505 HydrophobicContact CB-CE1 3.68Å; K471-Y505 HydrophobicContact CB-CG 4.34Å; K471-Y505 HydrophobicContact CG-CD1 3.36Å; K471-Y505 HydrophobicContact CG-CD2 4.08Å; K471-Y505 HydrophobicContact CG-CE1 3.78Å; K471-Y505 HydrophobicContact CG-CE2 4.45Å; K471-Y505 HydrophobicContact CG-CG 3.5Å; K471-Y505 VanDerWaalsContact CG-CG 3.5Å
472I85Confident83.6Confident64 Ų6477 Ų7733%0.32839%0.39SS..THydrogen-bonded Turntrans-73136.4176.2-69.7171.7000108.3V461 V464 E465 F470 C474V461-I472 HydrophobicContact CB-CD1 4.25Å; V461-I472 HydrophobicContact CG1-CB 4.38Å; V461-I472 HydrophobicContact CG1-CD1 4Å; V461-I472 HydrophobicContact CG2-CD1 4.16Å; V464-I472 HydrophobicContact CB-CD1 3.92Å; V464-I472 HydrophobicContact CG1-CD1 3.84Å; E465-I472 HydrophobicContact CG-CB 4.43Å; E465-I472 HydrophobicContact CG-CD1 4.24Å; E465-I472 HydrophobicContact CG-CG1 4.04Å; E465-I472 PolarHBondContact OE1-N 3.46Å; F470-I472 HydrophobicContact CD2-CG1 4.34Å; F470-I472 HydrophobicContact CE2-CG1 3.72Å; I472-C474 VanDerWaalsContact C-N 3.27Å; I472-C474 PolarHBondContact O-N 3.05Å
473A85Confident83.5Confident78 Ų7873.9 Ų73.965%0.64539%0.392SS*.THydrogen-bonded Turntrans56.533.5179.400000114.9L475A473-L475 PolarHBondContact O-N 2.72Å
474C90.5Very high84.1Confident3 Ų380.2 Ų80.22%0.0241%0.409CS..  trans-71.697.6175.4-174.60000111.5K471 I472 E476 E477 I478 Y502 Y505 L506K471-C474 HydrophobicContact CB-CB 3.92Å; I472-C474 VanDerWaalsContact C-N 3.27Å; I472-C474 PolarHBondContact O-N 3.05Å; C474-E476 VanDerWaalsContact C-N 3.35Å; C474-E476 PolarHBondContact O-N 3.29Å; C474-E477 HydrophobicContact CB-CB 3.91Å; C474-E477 PolarHBondContact O-N 3.47Å; C474-E477 VanDerWaalsContact SG-CB 3.55Å; C474-I478 WeakPolarHBondContact O-CG1 3.24Å; C474-I478 PolarHBondContact O-N 2.95Å; C474-Y502 HydrophobicContact CB-CE2 4.33Å; C474-Y502 PolarHBondContact SG-OH 2.92Å; C474-Y505 HydrophobicContact CB-CE1 4.26Å; C474-L506 VanDerWaalsContact SG-CD2 3.57Å
475L91.4Very high84.9Confident125 Ų12580.5 Ų80.565%0.65441%0.409SS*.Hα-helixtrans-63.8-37.8-174.8-65.7179.2000112.7A473 I478 A479A473-L475 PolarHBondContact O-N 2.72Å; L475-I478 HydrophobicContact CD2-CD1 4.49Å; L475-I478 PolarHBondContact O-N 3.38Å; L475-A479 WeakPolarHBondContact O-CB 3.31Å; L475-A479 PolarHBondContact O-N 2.86Å
476E93.2Very high85.3Confident53 Ų5383.2 Ų83.225%0.24843%0.425CS..Hα-helixtrans-65.7-40.4177.7-67.877.8-174.800111.8C474 A479 W480 L485 A493 Y502 L506C474-E476 VanDerWaalsContact C-N 3.35Å; C474-E476 PolarHBondContact O-N 3.29Å; E476-A479 PolarHBondContact O-N 3.37Å; E476-W480 WeakPolarHBondContact O-CB 3.34Å; E476-W480 PolarHBondContact O-N 2.8Å; E476-L485 HydrophobicContact CB-CD2 4.13Å; E476-L485 HydrophobicContact CG-CD2 4.32Å; E476-A493 HydrophobicContact CG-CB 3.72Å; E476-Y502 PolarHBondContact OE2-OH 3.15Å; E476-L506 HydrophobicContact CB-CD1 4.18Å; E476-L506 HydrophobicContact CB-CD2 3.81Å; E476-L506 HydrophobicContact CG-CD1 4.18Å
477E90.8Very high86Confident22 Ų2277 Ų7710%0.10340%0.401CS..Hα-helixtrans-64-43.9173.8174.9178.4-171.100111C474 W480 R481 Y505 L509C474-E477 HydrophobicContact CB-CB 3.91Å; C474-E477 PolarHBondContact O-N 3.47Å; C474-E477 VanDerWaalsContact SG-CB 3.55Å; E477-W480 PolarHBondContact O-N 2.52Å; E477-R481 HydrophobicContact CG-CG 4.28Å; E477-R481 WeakPolarHBondContact O-CB 3.32Å; E477-R481 VanDerWaalsContact O-CG 3.27Å; E477-R481 WeakPolarHBondContact O-CG 3.23Å; E477-R481 PolarHBondContact O-N 3.22Å; E477-R481 IonicContact OE1-CZ 3.94Å; E477-R481 IonicContact OE1-NE 2.63Å; E477-R481 PolarHBondContact OE1-NE 3.12Å; E477-R481 IonicContact OE1-NH2 2.92Å; E477-R481 PolarHBondContact OE1-NH2 3.37Å; E477-Y505 PolarHBondContact OE1-OH 3.14Å; E477-Y505 WeakPolarHBondContact OE2-CE1 3.35Å; E477-Y505 PolarHBondContact OE2-OH 2.7Å; E477-L509 HydrophobicContact CB-CD2 3.95Å; E477-L509 HydrophobicContact CG-CD1 3.96Å; E477-L509 HydrophobicContact CG-CD2 3.91Å
478I86.5Confident87.1Confident78 Ų7875.5 Ų75.540%0.440%0.399SS..Hα-helixtrans-60.1-49.2176.5-65.9166.6000109.9C474 L475 W480 R481 N482C474-I478 WeakPolarHBondContact O-CG1 3.24Å; C474-I478 PolarHBondContact O-N 2.95Å; L475-I478 HydrophobicContact CD2-CD1 4.49Å; L475-I478 PolarHBondContact O-N 3.38Å; I478-W480 VanDerWaalsContact C-N 3.34Å; I478-W480 PolarHBondContact O-N 3Å; I478-R481 PolarHBondContact O-N 2.81Å; I478-N482 WeakPolarHBondContact O-CB 3.3Å; I478-N482 PolarHBondContact O-N 2.85Å; I478-N482 PolarHBondContact O-ND2 3.03Å
479A91Very high88.2Confident21 Ų2169.5 Ų69.517%0.17437%0.372CS..Hα-helixtrans-61.5-42.1179.300000111.7L475 E476 N482 G483 W484 L485L475-A479 WeakPolarHBondContact O-CB 3.31Å; L475-A479 PolarHBondContact O-N 2.86Å; E476-A479 PolarHBondContact O-N 3.37Å; A479-N482 PolarHBondContact O-N 3.44Å; A479-G483 PolarHBondContact O-N 3.29Å; A479-G483 VanDerWaalsContact O-N 3.12Å; A479-W484 HydrophobicContact CB-CB 4.23Å; A479-W484 HydrophobicContact CB-CE3 4.31Å; A479-W484 PolarHBondContact O-N 3.41Å; A479-L485 HydrophobicContact CB-CB 3.87Å; A479-L485 PolarHBondContact O-N 3.2Å
480W90Very high89.1Confident41 Ų4166.6 Ų66.616%0.15534%0.342CS..Hα-helixtrans-64.4-46.6176.8-179.970.7000112.4E476 E477 I478 N482 G483 L485 D487 V490 L509 L510 R513E476-W480 WeakPolarHBondContact O-CB 3.34Å; E476-W480 PolarHBondContact O-N 2.8Å; E477-W480 PolarHBondContact O-N 2.52Å; I478-W480 VanDerWaalsContact C-N 3.34Å; I478-W480 PolarHBondContact O-N 3Å; W480-N482 VanDerWaalsContact C-N 3.27Å; W480-N482 PolarHBondContact O-N 2.83Å; W480-G483 PolarHBondContact O-N 3.35Å; W480-L485 WeakPolarHBondContact CA-O 3.43Å; W480-L485 HydrophobicContact CB-CB 4.45Å; W480-D487 PolarHBondContact NE1-OD1 2.81Å; W480-V490 HydrophobicContact CB-CG2 3.58Å; W480-V490 VanDerWaalsContact CD1-CG2 3.42Å; W480-V490 HydrophobicContact CD2-CG2 4.43Å; W480-V490 HydrophobicContact CG-CG2 3.54Å; W480-L509 HydrophobicContact CD2-CD2 4.11Å; W480-L509 HydrophobicContact CE3-CD2 3.44Å; W480-L509 VanDerWaalsContact CE3-CD2 3.44Å; W480-L509 HydrophobicContact CE3-CG 3.93Å; W480-L509 HydrophobicContact CH2-CG 4.27Å; W480-L509 HydrophobicContact CZ3-CD1 4.16Å; W480-L509 HydrophobicContact CZ3-CD2 3.7Å; W480-L509 HydrophobicContact CZ3-CG 3.62Å; W480-L510 HydrophobicContact CZ2-CD2 4.04Å; W480-R513 HydrophobicContact CH2-CG 4.36Å; W480-R513 HydrophobicContact CZ2-CG 4.42Å
481R82.1Confident89.8Confident166 Ų16667.4 Ų67.463%0.62635%0.345SS*.Hα-helixtrans-64.4-29.1177.1-72.4-179.9-176.4-81.32.3113.3E477 I478 G483E477-R481 HydrophobicContact CG-CG 4.28Å; E477-R481 WeakPolarHBondContact O-CB 3.32Å; E477-R481 VanDerWaalsContact O-CG 3.27Å; E477-R481 WeakPolarHBondContact O-CG 3.23Å; E477-R481 PolarHBondContact O-N 3.22Å; E477-R481 IonicContact OE1-CZ 3.94Å; E477-R481 IonicContact OE1-NE 2.63Å; E477-R481 PolarHBondContact OE1-NE 3.12Å; E477-R481 IonicContact OE1-NH2 2.92Å; E477-R481 PolarHBondContact OE1-NH2 3.37Å; I478-R481 PolarHBondContact O-N 2.81Å; R481-G483 VanDerWaalsContact C-N 3.33Å
482N82.2Confident90Very high73 Ų7372 Ų7239%0.3936%0.362SS..THydrogen-bonded Turntrans-880.5174.4-72.1-78.8000113.2I478 A479 W480 W484I478-N482 WeakPolarHBondContact O-CB 3.3Å; I478-N482 PolarHBondContact O-N 2.85Å; I478-N482 PolarHBondContact O-ND2 3.03Å; A479-N482 PolarHBondContact O-N 3.44Å; W480-N482 VanDerWaalsContact C-N 3.27Å; W480-N482 PolarHBondContact O-N 2.83Å; N482-W484 VanDerWaalsContact C-N 3.27Å; N482-W484 HydrophobicContact CB-CD2 3.82Å; N482-W484 HydrophobicContact CB-CE3 4.24Å; N482-W484 HydrophobicContact CB-CG 4.22Å; N482-W484 HydrophobicContact CB-CH2 4.37Å; N482-W484 HydrophobicContact CB-CZ2 3.96Å; N482-W484 HydrophobicContact CB-CZ3 4.49Å; N482-W484 PolarHBondContact O-N 3.31Å
483G87.1Confident90.4Very high64 Ų6470.1 Ų70.166%0.6636%0.355SS*.THydrogen-bonded Turntrans73.613.4-18000000114.8A479 W480 R481A479-G483 PolarHBondContact O-N 3.29Å; A479-G483 VanDerWaalsContact O-N 3.12Å; W480-G483 PolarHBondContact O-N 3.35Å; R481-G483 VanDerWaalsContact C-N 3.33Å
484W91.2Very high90.8Very high194 Ų19466.4 Ų66.474%0.73533%0.325SS*.SBendtrans-81.5-20.5174.9-53.8-23.1000112.6A479 N482A479-W484 HydrophobicContact CB-CB 4.23Å; A479-W484 HydrophobicContact CB-CE3 4.31Å; A479-W484 PolarHBondContact O-N 3.41Å; N482-W484 VanDerWaalsContact C-N 3.27Å; N482-W484 HydrophobicContact CB-CD2 3.82Å; N482-W484 HydrophobicContact CB-CE3 4.24Å; N482-W484 HydrophobicContact CB-CG 4.22Å; N482-W484 HydrophobicContact CB-CH2 4.37Å; N482-W484 HydrophobicContact CB-CZ2 3.96Å; N482-W484 HydrophobicContact CB-CZ3 4.49Å; N482-W484 PolarHBondContact O-N 3.31Å
485L92.7Very high90.7Very high43 Ų4370.2 Ų70.223%0.22535%0.351CS..SBendtrans-124.8128.4175.6-164.965.9000108.8E476 A479 W480 V490E476-L485 HydrophobicContact CB-CD2 4.13Å; E476-L485 HydrophobicContact CG-CD2 4.32Å; A479-L485 HydrophobicContact CB-CB 3.87Å; A479-L485 PolarHBondContact O-N 3.2Å; W480-L485 WeakPolarHBondContact CA-O 3.43Å; W480-L485 HydrophobicContact CB-CB 4.45Å; L485-V490 HydrophobicContact CD2-CB 4.42Å; L485-V490 HydrophobicContact CD2-CG2 3.66Å; L485-V490 HydrophobicContact CG-CG2 4.07Å
486D92.9Very high90.6Very high95 Ų9568.8 Ų68.851%0.50835%0.352SS..  trans-82.4170.7174.361.9-1.7000111.5E488 G489 V490 R492D486-E488 PolarHBondContact O-N 2.7Å; D486-G489 WeakPolarHBondContact O-CA 3.43Å; D486-G489 PolarHBondContact O-N 2.52Å; D486-G489 WeakPolarHBondContact OD1-CA 3.42Å; D486-G489 PolarHBondContact OD1-N 2.88Å; D486-V490 PolarHBondContact O-N 2.94Å; D486-R492 IonicContact OD1-NH2 3.91Å
487D93Very high90.4Very high51 Ų5169.3 Ų69.327%0.27336%0.356SS..Hα-helixtrans-55.8-38.9179.6-73.18.4000111.7W480 V490 K491 L510 R513W480-D487 PolarHBondContact NE1-OD1 2.81Å; D487-V490 PolarHBondContact O-N 3.22Å; D487-K491 WeakPolarHBondContact O-CG 3.41Å; D487-K491 PolarHBondContact O-N 3.27Å; D487-L510 HydrophobicContact CB-CD2 4.06Å; D487-R513 VanDerWaalsContact CG-NH2 3.27Å; D487-R513 IonicContact OD1-CZ 2.72Å; D487-R513 IonicContact OD1-NH2 3.56Å; D487-R513 PolarHBondContact OD1-NH2 2.98Å; D487-R513 IonicContact OD2-CZ 2.82Å; D487-R513 IonicContact OD2-NE 3.24Å; D487-R513 IonicContact OD2-NH2 2.67Å; D487-R513 PolarHBondContact OD2-NH2 2.7Å
488E93.1Very high90.2Very high94 Ų9470.3 Ų70.344%0.43937%0.368SS..Hα-helixtrans-67.9-36.2176.4-70.1-56.3126.600112.1D486 K491 R492D486-E488 PolarHBondContact O-N 2.7Å; E488-K491 PolarHBondContact O-N 2.81Å; E488-K491 IonicContact OE1-NZ 2.72Å; E488-K491 PolarHBondContact OE1-NZ 2.99Å; E488-R492 WeakPolarHBondContact O-CB 3.46Å; E488-R492 WeakPolarHBondContact O-CG 3.46Å; E488-R492 PolarHBondContact O-N 3.41Å
489G93.6Very high90.3Very high3 Ų376.7 Ų76.73%0.03139%0.393CS..Hα-helixtrans-60.4-46.2171.500000112.5D486 R492 A493D486-G489 WeakPolarHBondContact O-CA 3.43Å; D486-G489 PolarHBondContact O-N 2.52Å; D486-G489 WeakPolarHBondContact OD1-CA 3.42Å; D486-G489 PolarHBondContact OD1-N 2.88Å; G489-R492 PolarHBondContact O-N 3.42Å; G489-A493 PolarHBondContact O-N 3.24Å
490V92.5Very high90.3Very high0 Ų078.4 Ų78.40%040%0.401CS..Hα-helixtrans-62.8-44.9174.7177.80000110.7W480 L485 D486 D487 R492 A493 A494 L506 L510W480-V490 HydrophobicContact CB-CG2 3.58Å; W480-V490 VanDerWaalsContact CD1-CG2 3.42Å; W480-V490 HydrophobicContact CD2-CG2 4.43Å; W480-V490 HydrophobicContact CG-CG2 3.54Å; L485-V490 HydrophobicContact CD2-CB 4.42Å; L485-V490 HydrophobicContact CD2-CG2 3.66Å; L485-V490 HydrophobicContact CG-CG2 4.07Å; D486-V490 PolarHBondContact O-N 2.94Å; D487-V490 PolarHBondContact O-N 3.22Å; V490-R492 VanDerWaalsContact C-N 3.33Å; V490-R492 PolarHBondContact O-N 3.1Å; V490-A493 PolarHBondContact O-N 3.5Å; V490-A494 WeakPolarHBondContact O-CB 3.41Å; V490-A494 PolarHBondContact O-N 2.92Å; V490-L506 HydrophobicContact CG1-CB 4.19Å; V490-L506 HydrophobicContact CG1-CD2 4.49Å; V490-L510 HydrophobicContact CB-CD1 4.12Å; V490-L510 HydrophobicContact CB-CD2 4.08Å; V490-L510 HydrophobicContact CB-CG 4.32Å; V490-L510 HydrophobicContact CG1-CD1 3.89Å; V490-L510 HydrophobicContact CG1-CD2 4.09Å; V490-L510 HydrophobicContact CG1-CG 3.89Å
491K93.7Very high90.2Very high92 Ų9278.6 Ų78.640%0.442%0.415SS..Hα-helixtrans-58.9-43.7176.3-72.6177.9-165.4163.80112D487 E488 A494 S495 L510D487-K491 WeakPolarHBondContact O-CG 3.41Å; D487-K491 PolarHBondContact O-N 3.27Å; E488-K491 PolarHBondContact O-N 2.81Å; E488-K491 IonicContact OE1-NZ 2.72Å; E488-K491 PolarHBondContact OE1-NZ 2.99Å; K491-A494 PolarHBondContact O-N 3.37Å; K491-S495 WeakPolarHBondContact O-CB 3.36Å; K491-S495 PolarHBondContact O-N 2.88Å; K491-L510 HydrophobicContact CB-CD1 4.44Å; K491-L510 HydrophobicContact CD-CD1 4.36Å; K491-L510 HydrophobicContact CG-CD1 3.36Å
492R93.4Very high90.6Very high153 Ų15373.7 Ų73.758%0.57740%0.398SS*.Hα-helixtrans-60.5-47.8176.8-76.3-171.5-59.7-104.9-0.6110.9D486 E488 G489 V490 A494 S495D486-R492 IonicContact OD1-NH2 3.91Å; E488-R492 WeakPolarHBondContact O-CB 3.46Å; E488-R492 WeakPolarHBondContact O-CG 3.46Å; E488-R492 PolarHBondContact O-N 3.41Å; G489-R492 PolarHBondContact O-N 3.42Å; V490-R492 VanDerWaalsContact C-N 3.33Å; V490-R492 PolarHBondContact O-N 3.1Å; R492-A494 VanDerWaalsContact C-N 3.33Å; R492-A494 PolarHBondContact O-N 3.3Å; R492-S495 PolarHBondContact O-N 2.97Å; R492-S495 PolarHBondContact O-OG 3.16Å
493A92Very high91Very high24 Ų2470.2 Ų70.220%0.19838%0.379CS..Hα-helixtrans-63.2-39.1177.700000112.3E476 G489 V490 S496 L506E476-A493 HydrophobicContact CG-CB 3.72Å; G489-A493 PolarHBondContact O-N 3.24Å; V490-A493 PolarHBondContact O-N 3.5Å; A493-S496 PolarHBondContact O-OG 3.48Å; A493-L506 HydrophobicContact CB-CD1 4.46Å
494A93.2Very high91.2Very high0 Ų072.4 Ų72.40%037%0.372CS..Hα-helixtrans-69-35.217700000112.6V490 K491 R492 S496 L497 A498 L506 L507V490-A494 WeakPolarHBondContact O-CB 3.41Å; V490-A494 PolarHBondContact O-N 2.92Å; K491-A494 PolarHBondContact O-N 3.37Å; R492-A494 VanDerWaalsContact C-N 3.33Å; R492-A494 PolarHBondContact O-N 3.3Å; A494-S496 VanDerWaalsContact C-N 3.35Å; A494-S496 PolarHBondContact O-N 3.05Å; A494-L497 CarbonylContact O-C 3.59Å; A494-L497 VanDerWaalsContact O-C 3.26Å; A494-L497 WeakPolarHBondContact O-CA 3.49Å; A494-L497 PolarHBondContact O-N 3Å; A494-A498 WeakPolarHBondContact O-CA 3.45Å; A494-A498 PolarHBondContact O-N 3.25Å; A494-L506 HydrophobicContact CB-CB 3.62Å; A494-L506 HydrophobicContact CB-CD1 4.17Å; A494-L507 HydrophobicContact CB-CD2 3.75Å; A494-L507 HydrophobicContact CB-CG 3.79Å
495S89.2Confident91.2Very high83 Ų8364.3 Ų64.358%0.5834%0.341SS*.Hα-helixtrans-63.8-35.9-174.971.30000113.4K491 R492 L497K491-S495 WeakPolarHBondContact O-CB 3.36Å; K491-S495 PolarHBondContact O-N 2.88Å; R492-S495 PolarHBondContact O-N 2.97Å; R492-S495 PolarHBondContact O-OG 3.16Å; S495-L497 PolarHBondContact O-N 3.21Å
496S88.3Confident91.2Very high95 Ų9562.2 Ų62.266%0.66433%0.331SS*.THydrogen-bonded Turntrans-68.9-19.617560.50000112.5A493 A494A493-S496 PolarHBondContact O-OG 3.48Å; A494-S496 VanDerWaalsContact C-N 3.35Å; A494-S496 PolarHBondContact O-N 3.05Å
497L90.5Very high91.1Very high64 Ų6460.4 Ų60.434%0.33532%0.32SS..THydrogen-bonded Turntrans-118.613.7-175.7-63.7176.4000113.1A494 S495 K499 T500 Y502 G503A494-L497 CarbonylContact O-C 3.59Å; A494-L497 VanDerWaalsContact O-C 3.26Å; A494-L497 WeakPolarHBondContact O-CA 3.49Å; A494-L497 PolarHBondContact O-N 3Å; S495-L497 PolarHBondContact O-N 3.21Å; L497-K499 PolarHBondContact O-N 3.41Å; L497-T500 WeakPolarHBondContact O-CB 3.36Å; L497-T500 PolarHBondContact O-N 3.5Å; L497-T500 PolarHBondContact O-OG1 2.96Å; L497-Y502 HydrophobicContact CD1-CD1 3.69Å; L497-Y502 HydrophobicContact CD1-CE1 4.18Å; L497-G503 WeakPolarHBondContact O-CA 3.41Å
498A85.5Confident90.8Very high43 Ų4363.2 Ų63.236%0.35533%0.332SS..THydrogen-bonded Turntrans-60.2-21.3-167.900000114.5A494 T500A494-A498 WeakPolarHBondContact O-CA 3.45Å; A494-A498 PolarHBondContact O-N 3.25Å; A498-T500 VanDerWaalsContact C-N 3.33Å
499K89.7Confident90.4Very high211 Ų21159.5 Ų59.592%0.91732%0.315SS*.THydrogen-bonded Turntrans-86.60.8175.8-63.8-174.4179.7-179.80113.9L497L497-K499 PolarHBondContact O-N 3.41Å
500T91.1Very high90Very high58 Ų5860.6 Ų60.636%0.35632%0.32SS..SBendtrans-109.8155.4-179.375.10000110.3L497 A498 Y502 G503 Q504L497-T500 WeakPolarHBondContact O-CB 3.36Å; L497-T500 PolarHBondContact O-N 3.5Å; L497-T500 PolarHBondContact O-OG1 2.96Å; A498-T500 VanDerWaalsContact C-N 3.33Å; T500-Y502 PolarHBondContact O-N 3.39Å; T500-Y502 PolarHBondContact OG1-N 2.94Å; T500-G503 PolarHBondContact O-N 2.73Å; T500-G503 VanDerWaalsContact OG1-N 3.07Å; T500-G503 PolarHBondContact OG1-N 3.41Å; T500-Q504 WeakPolarHBondContact O-CG 3.49Å; T500-Q504 PolarHBondContact O-N 3.33Å
501G86.5Confident89.4Confident44 Ų4470.2 Ų70.245%0.45436%0.357SS..Hα-helixtrans-60.4-25.4173.100000113.2Y505G501-Y505 WeakPolarHBondContact O-CB 3.32Å; G501-Y505 PolarHBondContact O-N 2.88Å
502Y90.9Very high88Confident64 Ų6469.6 Ų69.625%0.25137%0.368SS..Hα-helixtrans-70.8-46.5174.6-168.7-91.9000112K471 C474 E476 L497 T500 Q504 Y505 L506K471-Y502 HydrophobicContact CB-CE2 4.44Å; K471-Y502 HydrophobicContact CG-CD2 4.22Å; C474-Y502 HydrophobicContact CB-CE2 4.33Å; C474-Y502 PolarHBondContact SG-OH 2.92Å; E476-Y502 PolarHBondContact OE2-OH 3.15Å; L497-Y502 HydrophobicContact CD1-CD1 3.69Å; L497-Y502 HydrophobicContact CD1-CE1 4.18Å; T500-Y502 PolarHBondContact O-N 3.39Å; T500-Y502 PolarHBondContact OG1-N 2.94Å; Y502-Q504 VanDerWaalsContact C-N 3.34Å; Y502-Q504 PolarHBondContact O-N 3.17Å; Y502-Y505 WeakPolarHBondContact O-CB 3.32Å; Y502-Y505 PolarHBondContact O-N 3.37Å; Y502-L506 HydrophobicContact CD1-CG 4.4Å; Y502-L506 VanDerWaalsContact O-N 3.1Å; Y502-L506 PolarHBondContact O-N 3Å; Y502-L506 HydrophobicContact CE1-CG 4.22Å; Y502-L506 HydrophobicContact CE1-CD1 3.74Å; Y502-L506 HydrophobicContact CD1-CD1 4.04Å
503G91.6Very high86.2Confident0 Ų066.8 Ų66.80%036%0.358CS..Hα-helixtrans-66.1-37.1176.500000112.5L497 T500 L506 L507L497-G503 WeakPolarHBondContact O-CA 3.41Å; T500-G503 PolarHBondContact O-N 2.73Å; T500-G503 VanDerWaalsContact OG1-N 3.07Å; T500-G503 PolarHBondContact OG1-N 3.41Å; G503-L506 PolarHBondContact O-N 3.39Å; G503-L507 WeakPolarHBondContact O-CG 3.33Å; G503-L507 PolarHBondContact O-N 3Å; G503-L507 VanDerWaalsContact O-N 3.17Å
504Q90.4Very high83.8Confident109 Ų10971 Ų7151%0.50938%0.383SS..Hα-helixtrans-61.8-45.4172.9-72.7179.7-20.200111.7T500 Y502 L506 L507 E508T500-Q504 WeakPolarHBondContact O-CG 3.49Å; T500-Q504 PolarHBondContact O-N 3.33Å; Y502-Q504 VanDerWaalsContact C-N 3.34Å; Y502-Q504 PolarHBondContact O-N 3.17Å; Q504-L506 PolarHBondContact O-N 2.89Å; Q504-L507 VanDerWaalsContact O-N 3.15Å; Q504-L507 PolarHBondContact O-N 3.35Å; Q504-E508 WeakPolarHBondContact O-CG 3.48Å; Q504-E508 PolarHBondContact O-N 3.46Å
505Y91.9Very high80.9Confident24 Ų2481.6 Ų81.69%0.09442%0.423CS..Hα-helixtrans-55.3-47.3175.2173.3-106.2000112.7F470 K471 C474 E477 G501 Y502 L507 E508 L509F470-Y505 HydrophobicContact CB-CE2 4.31Å; K471-Y505 HydrophobicContact CB-CD1 3.78Å; K471-Y505 HydrophobicContact CB-CE1 3.68Å; K471-Y505 HydrophobicContact CB-CG 4.34Å; K471-Y505 HydrophobicContact CG-CD1 3.36Å; K471-Y505 HydrophobicContact CG-CD2 4.08Å; K471-Y505 HydrophobicContact CG-CE1 3.78Å; K471-Y505 HydrophobicContact CG-CE2 4.45Å; K471-Y505 HydrophobicContact CG-CG 3.5Å; K471-Y505 VanDerWaalsContact CG-CG 3.5Å; C474-Y505 HydrophobicContact CB-CE1 4.26Å; E477-Y505 PolarHBondContact OE1-OH 3.14Å; E477-Y505 WeakPolarHBondContact OE2-CE1 3.35Å; E477-Y505 PolarHBondContact OE2-OH 2.7Å; G501-Y505 WeakPolarHBondContact O-CB 3.32Å; G501-Y505 PolarHBondContact O-N 2.88Å; Y502-Y505 WeakPolarHBondContact O-CB 3.32Å; Y502-Y505 PolarHBondContact O-N 3.37Å; Y505-L507 VanDerWaalsContact C-N 3.31Å; Y505-L507 PolarHBondContact O-N 3.25Å; Y505-E508 PolarHBondContact O-N 2.83Å; Y505-E508 VanDerWaalsContact O-N 3.16Å; Y505-L509 PolarHBondContact O-N 3.02Å
506L92.3Very high78Confident0 Ų084.8 Ų84.80%043%0.429CS..Hα-helixtrans-62.3-36.5178-68.6-179.6000113C474 E476 V490 A493 A494 Y502 G503 Q504 L509C474-L506 VanDerWaalsContact SG-CD2 3.57Å; E476-L506 HydrophobicContact CB-CD1 4.18Å; E476-L506 HydrophobicContact CB-CD2 3.81Å; E476-L506 HydrophobicContact CG-CD1 4.18Å; V490-L506 HydrophobicContact CG1-CB 4.19Å; V490-L506 HydrophobicContact CG1-CD2 4.49Å; A493-L506 HydrophobicContact CB-CD1 4.46Å; A494-L506 HydrophobicContact CB-CB 3.62Å; A494-L506 HydrophobicContact CB-CD1 4.17Å; Y502-L506 HydrophobicContact CD1-CG 4.4Å; Y502-L506 VanDerWaalsContact O-N 3.1Å; Y502-L506 PolarHBondContact O-N 3Å; Y502-L506 HydrophobicContact CE1-CG 4.22Å; Y502-L506 HydrophobicContact CE1-CD1 3.74Å; Y502-L506 HydrophobicContact CD1-CD1 4.04Å; G503-L506 PolarHBondContact O-N 3.39Å; Q504-L506 PolarHBondContact O-N 2.89Å; L506-L509 WeakPolarHBondContact O-CB 3.33Å
507L90.2Very high75.2Confident56 Ų5692.6 Ų92.629%0.29345%0.445SS..Hα-helixtrans-70-35.7175.2-67.5172.8000112A494 G503 Q504 Y505 R511A494-L507 HydrophobicContact CB-CD2 3.75Å; A494-L507 HydrophobicContact CB-CG 3.79Å; G503-L507 WeakPolarHBondContact O-CG 3.33Å; G503-L507 PolarHBondContact O-N 3Å; G503-L507 VanDerWaalsContact O-N 3.17Å; Q504-L507 VanDerWaalsContact O-N 3.15Å; Q504-L507 PolarHBondContact O-N 3.35Å; Y505-L507 VanDerWaalsContact C-N 3.31Å; Y505-L507 PolarHBondContact O-N 3.25Å; L507-R511 WeakPolarHBondContact O-CG 3.37Å; L507-R511 PolarHBondContact O-N 2.97Å
508E87.7Confident74.4Confident110 Ų11094 Ų9451%0.51445%0.451SS..Hα-helixtrans-69.1-37.5175.5-74.3176.5177.300112Q504 Y505 L510 R511 A512Q504-E508 WeakPolarHBondContact O-CG 3.48Å; Q504-E508 PolarHBondContact O-N 3.46Å; Y505-E508 PolarHBondContact O-N 2.83Å; Y505-E508 VanDerWaalsContact O-N 3.16Å; E508-L510 PolarHBondContact O-N 3.21Å; E508-R511 WeakPolarHBondContact O-CA 3.48Å; E508-R511 PolarHBondContact O-N 2.86Å; E508-R511 WeakPolarHBondContact O-CB 3.42Å; E508-A512 WeakPolarHBondContact O-CB 3.41Å; E508-A512 PolarHBondContact O-N 2.74Å
509L84.5Confident73.9Confident16 Ų1696.7 Ų96.78%0.08446%0.456CS..Hα-helixtrans-52.2-42.8174.5-168.880.7000111.8E477 W480 Y505 L506 R511E477-L509 HydrophobicContact CB-CD2 3.95Å; E477-L509 HydrophobicContact CG-CD1 3.96Å; E477-L509 HydrophobicContact CG-CD2 3.91Å; W480-L509 HydrophobicContact CD2-CD2 4.11Å; W480-L509 HydrophobicContact CE3-CD2 3.44Å; W480-L509 VanDerWaalsContact CE3-CD2 3.44Å; W480-L509 HydrophobicContact CE3-CG 3.93Å; W480-L509 HydrophobicContact CH2-CG 4.27Å; W480-L509 HydrophobicContact CZ3-CD1 4.16Å; W480-L509 HydrophobicContact CZ3-CD2 3.7Å; W480-L509 HydrophobicContact CZ3-CG 3.62Å; Y505-L509 PolarHBondContact O-N 3.02Å; L506-L509 WeakPolarHBondContact O-CB 3.33Å; L509-R511 VanDerWaalsContact C-N 3.34Å; L509-R511 PolarHBondContact O-N 3.07Å
510L84.5Confident73Confident27 Ų2790.3 Ų90.314%0.14143%0.43CS..Hα-helixtrans-70.6-27.3177.5-65.6175000113.4W480 D487 V490 K491 E508W480-L510 HydrophobicContact CZ2-CD2 4.04Å; D487-L510 HydrophobicContact CB-CD2 4.06Å; V490-L510 HydrophobicContact CB-CD1 4.12Å; V490-L510 HydrophobicContact CB-CD2 4.08Å; V490-L510 HydrophobicContact CB-CG 4.32Å; V490-L510 HydrophobicContact CG1-CD1 3.89Å; V490-L510 HydrophobicContact CG1-CD2 4.09Å; V490-L510 HydrophobicContact CG1-CG 3.89Å; K491-L510 HydrophobicContact CB-CD1 4.44Å; K491-L510 HydrophobicContact CD-CD1 4.36Å; K491-L510 HydrophobicContact CG-CD1 3.36Å; E508-L510 PolarHBondContact O-N 3.21Å
511R79.8Confident71.9Confident202 Ų20292.2 Ų92.276%0.76244%0.435SS*.Hα-helixtrans-82.2-34178.1-66.6175.4-176.1172.61.8112.3L507 E508 L509 R513L507-R511 WeakPolarHBondContact O-CG 3.37Å; L507-R511 PolarHBondContact O-N 2.97Å; E508-R511 WeakPolarHBondContact O-CA 3.48Å; E508-R511 PolarHBondContact O-N 2.86Å; E508-R511 WeakPolarHBondContact O-CB 3.42Å; L509-R511 VanDerWaalsContact C-N 3.34Å; L509-R511 PolarHBondContact O-N 3.07Å; R511-R513 PolarHBondContact O-N 2.82Å
512A64.5Low71Confident78 Ų7895.3 Ų95.365%0.64543%0.433SS*.SBendtrans-82.813.6-17400000114.2E508 P514E508-A512 WeakPolarHBondContact O-CB 3.41Å; E508-A512 PolarHBondContact O-N 2.74Å; A512-P514 VanDerWaalsContact O-N 3.15Å
513R55.2Low69.7Low94 Ų9497.3 Ų97.336%0.35545%0.446SS..  trans-45.5124.9179.2-95.4-172.3179.5-156.90.2110.2W480 D487 R511 R515W480-R513 HydrophobicContact CH2-CG 4.36Å; W480-R513 HydrophobicContact CZ2-CG 4.42Å; D487-R513 VanDerWaalsContact CG-NH2 3.27Å; D487-R513 IonicContact OD1-CZ 2.72Å; D487-R513 IonicContact OD1-NH2 3.56Å; D487-R513 PolarHBondContact OD1-NH2 2.98Å; D487-R513 IonicContact OD2-CZ 2.82Å; D487-R513 IonicContact OD2-NE 3.24Å; D487-R513 IonicContact OD2-NH2 2.67Å; D487-R513 PolarHBondContact OD2-NH2 2.7Å; R511-R513 PolarHBondContact O-N 2.82Å; R513-R515 PolarHBondContact O-N 3.32Å
514P43Very low68.1Low113 Ų113104.3 Ų104.373%0.73448%0.477SS*.  trans-54.6128151.4-9.223.7000105.2A512 Q516A512-P514 VanDerWaalsContact O-N 3.15Å; P514-Q516 PolarHBondContact O-N 3.27Å
515R30.6Very low66.4Low223 Ų223103.9 Ų103.984%0.84248%0.475SS*.  trans-48.9115.9173.7-75.7179173.7174.2-2.2107.5R513 Y517R513-R515 PolarHBondContact O-N 3.32Å; R515-Y517 PolarHBondContact O-N 2.72Å; R515-Y517 VanDerWaalsContact O-N 3.14Å
516Q28.7Very low64.3Low149 Ų149110.6 Ų110.670%0.69651%0.507SS*.  trans-57.8116.4169.9-80.7178.1-34.800107.8P514P514-Q516 PolarHBondContact O-N 3.27Å
517Y29.9Very low61.7Low259 Ų259120.6 Ų120.6100%1.01655%0.553SS**  trans-129.90151.9-79.4-72000107.8R515R515-Y517 PolarHBondContact O-N 2.72Å; R515-Y517 VanDerWaalsContact O-N 3.14Å

Retrieved 517 of 517 residues in 156.5 ms (Link to these results)

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