A0A060Y5G5_ONCMY Loading...

5'-nucleotidase

Specifically hydrolyzes 7-methylguanosine monophosphate (m(7)GMP) to 7-methylguanosine and inorganic phosphate. The specific activity for m(7)GMP may protect cells against undesired salvage of m(7)GMP and its incorporation into nucleic acids. Also has weak activity for CMP. UMP and purine nucleotides are poor substrates.

AlphaFold DB , UniProt , Accession A0A060Y5G5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 278 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
1M94.1Very high96.8Very high117 Ų11783.9 Ų83.958%0.57640%0.401SS*.  0135.50-65.8-179.9-75.200108.6P4 V7 D255 I256M1-P4 HydrophobicContact CB-CG 4.16Å; M1-P4 HydrophobicContact CE-CB 4.42Å; M1-V7 HydrophobicContact CG-CG2 4.46Å; M1-V7 HydrophobicContact SD-CB 4.3Å; M1-V7 HydrophobicContact SD-CG1 4.07Å; M1-V7 HydrophobicContact SD-CG2 4.21Å; M1-D255 WeakPolarHBondContact CA-O 3.28Å; M1-I256 HydrophobicContact CG-CB 4.45Å; M1-I256 HydrophobicContact CG-CG1 4.05Å; M1-I256 HydrophobicContact CG-CG2 4.46Å; M1-I256 HydrophobicContact SD-CG1 4.3Å
2R93.5Very high96.8Very high169 Ų16985.3 Ų85.364%0.63840%0.404SS*.  trans-87-35.7173.9-178.4179.1173.6-165.8-1.6112.3L251 N252R2-L251 HydrophobicContact CB-CB 4.48Å; R2-L251 VanDerWaalsContact CB-O 3.32Å; R2-L251 WeakPolarHBondContact CB-O 3.05Å; R2-L251 VanDerWaalsContact CD-O 3.26Å; R2-L251 WeakPolarHBondContact CD-O 3.32Å; R2-N252 PolarHBondContact NH1-OD1 3.18Å
3D96.7Very high96.7Very high79 Ų7982.7 Ų82.742%0.42240%0.397SS..  trans-13582.1-177.8-172.7-10.3000110.5P5 R6 V7D3-P5 WeakPolarHBondContact OD1-CD 3.28Å; D3-R6 HydrophobicContact CB-CB 4.1Å; D3-R6 VanDerWaalsContact CG-CB 3.42Å; D3-R6 PolarHBondContact O-N 2.72Å; D3-R6 PolarHBondContact OD1-N 3.31Å; D3-R6 WeakPolarHBondContact OD2-CB 3.36Å; D3-V7 WeakPolarHBondContact O-CG2 3.42Å; D3-V7 PolarHBondContact O-N 2.87Å
4P97.3Very high96.7Very high54 Ų5476.8 Ų76.835%0.35137%0.369SS..Hα-helixtrans-59.9-41.8-178.3-20.731000114.8M1 R6 V7 E8M1-P4 HydrophobicContact CB-CG 4.16Å; M1-P4 HydrophobicContact CE-CB 4.42Å; P4-R6 VanDerWaalsContact C-N 3.3Å; P4-R6 PolarHBondContact O-N 3.28Å; P4-V7 WeakPolarHBondContact O-CB 3.31Å; P4-V7 PolarHBondContact O-N 3.46Å; P4-V7 VanDerWaalsContact O-N 3.13Å; P4-E8 PolarHBondContact O-N 2.86Å
5P98.1Very high96.6Very high90 Ų9074.2 Ų74.258%0.58436%0.356SS*.Hα-helixtrans-56.5-41.8175.9-2836.2000113.5D3 E8 E9D3-P5 WeakPolarHBondContact OD1-CD 3.28Å; P5-E8 PolarHBondContact O-N 3.12Å; P5-E9 PolarHBondContact O-N 3.38Å
6R96.7Very high96.5Very high134 Ų13480.4 Ų80.451%0.50638%0.381SS..Hα-helixtrans-63.6-42.8175178.1179.8168.8-179.2-4.9112.1D3 P4 E8 E9 I10D3-R6 HydrophobicContact CB-CB 4.1Å; D3-R6 VanDerWaalsContact CG-CB 3.42Å; D3-R6 PolarHBondContact O-N 2.72Å; D3-R6 PolarHBondContact OD1-N 3.31Å; D3-R6 WeakPolarHBondContact OD2-CB 3.36Å; P4-R6 VanDerWaalsContact C-N 3.3Å; P4-R6 PolarHBondContact O-N 3.28Å; R6-E8 VanDerWaalsContact C-N 3.32Å; R6-E8 PolarHBondContact O-N 3.4Å; R6-E9 PolarHBondContact O-N 3Å; R6-I10 HydrophobicContact CG-CD1 4.04Å; R6-I10 WeakPolarHBondContact O-CG1 3.38Å; R6-I10 PolarHBondContact O-N 2.89Å
7V98.1Very high96.4Very high6 Ų677.8 Ų77.84%0.03638%0.377CS..Hα-helixtrans-57.6-47.3175.41710000110.5M1 D3 P4 E9 I10 I11 L234 D255 I256M1-V7 HydrophobicContact CG-CG2 4.46Å; M1-V7 HydrophobicContact SD-CB 4.3Å; M1-V7 HydrophobicContact SD-CG1 4.07Å; M1-V7 HydrophobicContact SD-CG2 4.21Å; D3-V7 WeakPolarHBondContact O-CG2 3.42Å; D3-V7 PolarHBondContact O-N 2.87Å; P4-V7 WeakPolarHBondContact O-CB 3.31Å; P4-V7 PolarHBondContact O-N 3.46Å; P4-V7 VanDerWaalsContact O-N 3.13Å; V7-E9 VanDerWaalsContact C-N 3.33Å; V7-E9 PolarHBondContact O-N 3.28Å; V7-I10 PolarHBondContact O-N 2.75Å; V7-I11 HydrophobicContact CG1-CD1 3.72Å; V7-I11 HydrophobicContact CG1-CG1 4.47Å; V7-I11 VanDerWaalsContact O-CG1 3.28Å; V7-I11 WeakPolarHBondContact O-CG1 3.4Å; V7-I11 PolarHBondContact O-N 3.41Å; V7-L234 HydrophobicContact CG1-CD1 4.17Å; V7-D255 HydrophobicContact CG2-CB 3.89Å; V7-I256 HydrophobicContact CG1-CD1 3.98Å; V7-I256 HydrophobicContact CG1-CG1 4.12Å; V7-I256 HydrophobicContact CG2-CG1 4.32Å
8E97.6Very high96.3Very high100 Ų10074.8 Ų74.847%0.46737%0.369SS..Hα-helixtrans-62.1-39.4177.7-73-174.8-156.600113.1P4 P5 R6 I11 K12P4-E8 PolarHBondContact O-N 2.86Å; P5-E8 PolarHBondContact O-N 3.12Å; R6-E8 VanDerWaalsContact C-N 3.32Å; R6-E8 PolarHBondContact O-N 3.4Å; E8-I11 PolarHBondContact O-N 2.63Å; E8-K12 WeakPolarHBondContact O-CB 3.37Å; E8-K12 WeakPolarHBondContact O-CD 3.41Å; E8-K12 WeakPolarHBondContact O-CG 3.3Å; E8-K12 PolarHBondContact O-N 2.77Å; E8-K12 IonicContact OE2-NZ 3.45Å; E8-K12 PolarHBondContact OE2-NZ 3Å
9E97.7Very high96.1Very high130 Ų13072.9 Ų72.961%0.60736%0.362SS*.Hα-helixtrans-63.4-44.9177.6-176.8174.9-16700111.7P5 R6 V7 K12 T13P5-E9 PolarHBondContact O-N 3.38Å; R6-E9 PolarHBondContact O-N 3Å; V7-E9 VanDerWaalsContact C-N 3.33Å; V7-E9 PolarHBondContact O-N 3.28Å; E9-K12 PolarHBondContact O-N 2.9Å; E9-T13 WeakPolarHBondContact O-CB 3.47Å; E9-T13 PolarHBondContact O-N 3.37Å; E9-T13 PolarHBondContact O-OG1 3.02Å
10I97.6Very high96Very high16 Ų1672.4 Ų72.48%0.08237%0.366CS..Hα-helixtrans-58.6-51.1175.3-67.5164.4000109.8R6 V7 K12 T13 M14 N232 L234R6-I10 HydrophobicContact CG-CD1 4.04Å; R6-I10 WeakPolarHBondContact O-CG1 3.38Å; R6-I10 PolarHBondContact O-N 2.89Å; V7-I10 PolarHBondContact O-N 2.75Å; I10-K12 PolarHBondContact O-N 3.33Å; I10-T13 PolarHBondContact O-N 3.13Å; I10-T13 VanDerWaalsContact O-N 3.17Å; I10-M14 HydrophobicContact CG2-CE 3.69Å; I10-M14 HydrophobicContact CG2-CG 4.35Å; I10-M14 HydrophobicContact CG2-SD 4.08Å; I10-M14 WeakPolarHBondContact O-CG 3.45Å; I10-M14 PolarHBondContact O-N 3.23Å; I10-N232 HydrophobicContact CG2-CB 4.4Å; I10-L234 HydrophobicContact CG2-CB 3.92Å; I10-L234 HydrophobicContact CG2-CD1 4.28Å
11I97.4Very high96Very high28 Ų2872.2 Ų72.214%0.14436%0.363CS..Hα-helixtrans-59.7-46.8-179.8-66.8169.5000111V7 E8 T13 M14 Q15 L234 L270 L274V7-I11 HydrophobicContact CG1-CD1 3.72Å; V7-I11 HydrophobicContact CG1-CG1 4.47Å; V7-I11 VanDerWaalsContact O-CG1 3.28Å; V7-I11 WeakPolarHBondContact O-CG1 3.4Å; V7-I11 PolarHBondContact O-N 3.41Å; E8-I11 PolarHBondContact O-N 2.63Å; I11-T13 VanDerWaalsContact C-N 3.28Å; I11-T13 PolarHBondContact O-N 3.37Å; I11-M14 PolarHBondContact O-N 3.24Å; I11-Q15 WeakPolarHBondContact O-CB 3.47Å; I11-Q15 PolarHBondContact O-N 3.35Å; I11-L234 HydrophobicContact CD1-CD2 4.3Å; I11-L234 HydrophobicContact CG1-CD2 3.9Å; I11-L270 HydrophobicContact CD1-CD1 3.78Å; I11-L270 HydrophobicContact CG1-CD1 3.78Å; I11-L270 HydrophobicContact CG2-CD1 4.09Å; I11-L274 HydrophobicContact CG2-CD2 4.09Å
12K96.4Very high96.2Very high101 Ų10166.6 Ų66.644%0.43934%0.335SS..Hα-helixtrans-60.7-37.7178-76.3165.2-172.4154.40111.8E8 E9 I10 K16E8-K12 WeakPolarHBondContact O-CB 3.37Å; E8-K12 WeakPolarHBondContact O-CD 3.41Å; E8-K12 WeakPolarHBondContact O-CG 3.3Å; E8-K12 PolarHBondContact O-N 2.77Å; E8-K12 IonicContact OE2-NZ 3.45Å; E8-K12 PolarHBondContact OE2-NZ 3Å; E9-K12 PolarHBondContact O-N 2.9Å; I10-K12 PolarHBondContact O-N 3.33Å; K12-K16 WeakPolarHBondContact O-CB 3.4Å; K12-K16 VanDerWaalsContact O-CG 3.24Å; K12-K16 WeakPolarHBondContact O-CG 3.46Å; K12-K16 PolarHBondContact O-N 3.12Å; K12-K16 VanDerWaalsContact O-N 3.09Å
13T96.3Very high96.4Very high51 Ų5158.7 Ų58.731%0.31331%0.305SS..Hα-helixtrans-71.5-45.5179.7-56.60000110.9E9 I10 I11 Q15 K16 A17 N232E9-T13 WeakPolarHBondContact O-CB 3.47Å; E9-T13 PolarHBondContact O-N 3.37Å; E9-T13 PolarHBondContact O-OG1 3.02Å; I10-T13 PolarHBondContact O-N 3.13Å; I10-T13 VanDerWaalsContact O-N 3.17Å; I11-T13 VanDerWaalsContact C-N 3.28Å; I11-T13 PolarHBondContact O-N 3.37Å; T13-Q15 PolarHBondContact O-N 3.16Å; T13-K16 PolarHBondContact O-N 3.44Å; T13-A17 PolarHBondContact O-N 3.34Å; T13-N232 WeakPolarHBondContact CG2-ND2 3.45Å
14M96.6Very high96.4Very high0 Ų055 Ų550%029%0.286CS..Hα-helixtrans-60.1-44.2174.8-68.2-173.4171.900112I10 I11 A17 G18 N210 V211 L212 N232 L234 L274I10-M14 HydrophobicContact CG2-CE 3.69Å; I10-M14 HydrophobicContact CG2-CG 4.35Å; I10-M14 HydrophobicContact CG2-SD 4.08Å; I10-M14 WeakPolarHBondContact O-CG 3.45Å; I10-M14 PolarHBondContact O-N 3.23Å; I11-M14 PolarHBondContact O-N 3.24Å; M14-A17 PolarHBondContact O-N 3.11Å; M14-G18 PolarHBondContact O-N 3.31Å; M14-N210 HydrophobicContact CB-CB 4.5Å; M14-N210 HydrophobicContact CE-CB 4.25Å; M14-N210 HydrophobicContact CG-CB 3.89Å; M14-N210 HydrophobicContact SD-CB 4.35Å; M14-V211 WeakPolarHBondContact CE-O 3.46Å; M14-L212 HydrophobicContact CE-CD2 4.48Å; M14-L212 HydrophobicContact SD-CD2 3.93Å; M14-N232 HydrophobicContact CE-CB 3.6Å; M14-N232 HydrophobicContact CG-CB 4.02Å; M14-L234 HydrophobicContact CE-CB 4.01Å; M14-L234 HydrophobicContact SD-CB 4.44Å; M14-L274 HydrophobicContact CB-CD2 3.75Å
15Q95.4Very high96.5Very high38 Ų3852.4 Ų52.418%0.17827%0.269CS..Hα-helixtrans-61.3-45.4177.1-170.4-174.54900111.7I11 T13 A17 G18 H273 L274I11-Q15 WeakPolarHBondContact O-CB 3.47Å; I11-Q15 PolarHBondContact O-N 3.35Å; T13-Q15 PolarHBondContact O-N 3.16Å; Q15-A17 VanDerWaalsContact C-N 3.32Å; Q15-A17 PolarHBondContact O-N 2.81Å; Q15-G18 PolarHBondContact O-N 3.29Å; Q15-H273 PolarHBondContact NE2-CE1 2.99Å; Q15-H273 PolarHBondContact NE2-NE2 2.7Å; Q15-H273 PolarHBondContact NE2-O 3.28Å; Q15-L274 HydrophobicContact CB-CD2 4.14Å
16K94.9Very high96.5Very high173 Ų17348.1 Ų48.175%0.75224%0.241SC*.Hα-helixtrans-63.8-34.9177.8-75.6172.6-175.4176.40113K12 T13 G18K12-K16 WeakPolarHBondContact O-CB 3.4Å; K12-K16 VanDerWaalsContact O-CG 3.24Å; K12-K16 WeakPolarHBondContact O-CG 3.46Å; K12-K16 PolarHBondContact O-N 3.12Å; K12-K16 VanDerWaalsContact O-N 3.09Å; T13-K16 PolarHBondContact O-N 3.44Å; K16-G18 PolarHBondContact O-N 3.27Å
17A94.4Very high96.6Very high37 Ų3742.1 Ų42.131%0.30622%0.219SC..Hα-helixtrans-69-25177.800000112.4T13 M14 Q15 K21 N210T13-A17 PolarHBondContact O-N 3.34Å; M14-A17 PolarHBondContact O-N 3.11Å; Q15-A17 VanDerWaalsContact C-N 3.32Å; Q15-A17 PolarHBondContact O-N 2.81Å; A17-K21 HydrophobicContact CB-CB 4.14Å; A17-K21 HydrophobicContact CB-CG 4.13Å; A17-K21 VanDerWaalsContact O-CG 3.26Å; A17-K21 WeakPolarHBondContact O-CG 3.44Å; A17-N210 WeakPolarHBondContact CB-ND2 3.4Å
18G93.8Very high96.6Very high23 Ų2341.9 Ų41.924%0.23722%0.218CC..  trans88.4161.5176.500000113.7M14 Q15 K16 S20 K21M14-G18 PolarHBondContact O-N 3.31Å; Q15-G18 PolarHBondContact O-N 3.29Å; K16-G18 PolarHBondContact O-N 3.27Å; G18-S20 PolarHBondContact O-N 3.12Å; G18-K21 WeakPolarHBondContact O-CB 3.3Å; G18-K21 PolarHBondContact O-N 3.41Å
19T93.5Very high96.7Very high39 Ų3938 Ų3824%0.23920%0.2CC..G310 helixtrans-59.5-33.1-172.858.70000113.5K21 I22 R208 T275T19-K21 PolarHBondContact O-N 2.67Å; T19-I22 PolarHBondContact O-N 3.35Å; T19-I22 VanDerWaalsContact O-N 3.08Å; T19-R208 PolarHBondContact O-NH1 2.88Å; T19-T275 HydrophobicContact CG2-CG2 3.61Å
20S94.7Very high96.7Very high63 Ų6332.1 Ų32.144%0.44117%0.172SC..G310 helixtrans-64.4-7.7177.967.60000114.1G18 R208G18-S20 PolarHBondContact O-N 3.12Å; S20-R208 WeakPolarHBondContact O-CD 3.43Å; S20-R208 VanDerWaalsContact O-CZ 3.22Å; S20-R208 PolarHBondContact O-NE 2.6Å; S20-R208 PolarHBondContact O-NH1 3.44Å
21K96.1Very high96.7Very high68 Ų6831.3 Ų31.330%0.29617%0.168SC..G310 helixtrans-105.4-5.2177.9-54.7-53.4-169.9172.10113.7A17 G18 T19 S207 R208 H209 N210A17-K21 HydrophobicContact CB-CB 4.14Å; A17-K21 HydrophobicContact CB-CG 4.13Å; A17-K21 VanDerWaalsContact O-CG 3.26Å; A17-K21 WeakPolarHBondContact O-CG 3.44Å; G18-K21 WeakPolarHBondContact O-CB 3.3Å; G18-K21 PolarHBondContact O-N 3.41Å; T19-K21 PolarHBondContact O-N 2.67Å; K21-S207 VanDerWaalsContact CD-O 3.27Å; K21-S207 WeakPolarHBondContact CD-O 3.49Å; K21-R208 CarbonylContact O-C 3.59Å; K21-R208 WeakPolarHBondContact O-CA 3.07Å; K21-H209 WeakPolarHBondContact CD-NE2 3.19Å; K21-H209 PolarHBondContact O-N 3.29Å; K21-N210 WeakPolarHBondContact O-CB 3.26Å; K21-N210 PolarHBondContact O-N 3Å
22I96.6Very high96.8Very high0 Ų030 Ų300%016%0.162CC..EExtended strand (participates in β ladder)trans-94.7137.5-175.6-58.3173.5000110.4T19 I136 R208 N210 L212 L274T19-I22 PolarHBondContact O-N 3.35Å; T19-I22 VanDerWaalsContact O-N 3.08Å; I22-I136 HydrophobicContact CG2-CG2 4.11Å; I22-R208 WeakPolarHBondContact O-CD 3.38Å; I22-R208 PolarHBondContact O-NH1 2.82Å; I22-R208 VanDerWaalsContact O-NH1 3.12Å; I22-N210 CarbonylContact C-O 3.4Å; I22-N210 WeakPolarHBondContact CA-O 3.18Å; I22-N210 HydrophobicContact CG1-CB 4.25Å; I22-L212 HydrophobicContact CG2-CG 4.42Å; I22-L274 HydrophobicContact CD1-CB 3.96Å; I22-L274 HydrophobicContact CD1-CD1 4.2Å; I22-L274 HydrophobicContact CD1-CG 4.48Å
23Q97.6Very high96.9Very high3 Ų325.4 Ų25.41%0.01414%0.142CC..EExtended strand (participates in β ladder)trans-130.1153.8162.762.8179.3-58.800110.2R208 N210 V211 L212Q23-R208 HydrophobicContact CB-CB 4.02Å; Q23-R208 HydrophobicContact CG-CB 4.17Å; Q23-R208 PolarHBondContact NE2-O 3.48Å; Q23-N210 PolarHBondContact N-O 3.31Å; Q23-V211 HydrophobicContact CG-CG2 3.97Å; Q23-V211 WeakPolarHBondContact O-CA 3.18Å; Q23-L212 PolarHBondContact O-N 3.24Å
24V98.4Very high97Very high1 Ų124.7 Ų24.71%0.00613%0.133CC..EExtended strand (participates in β ladder)trans-114.8132.9177.2-173.70000109.6F127 L131 I136 P137 L138 L139 L212 L214V24-F127 HydrophobicContact CG1-CZ 4.12Å; V24-L131 HydrophobicContact CG2-CD1 4.18Å; V24-L131 HydrophobicContact CG2-CD2 3.66Å; V24-I136 HydrophobicContact CG2-CG2 3.96Å; V24-P137 PolarHBondContact N-O 3.22Å; V24-L138 HydrophobicContact CB-CD1 3.82Å; V24-L138 HydrophobicContact CG1-CD1 3.62Å; V24-L138 WeakPolarHBondContact O-CA 3.12Å; V24-L139 PolarHBondContact O-N 3.44Å; V24-L212 WeakPolarHBondContact CA-O 3.31Å; V24-L212 HydrophobicContact CG1-CB 4.38Å; V24-L212 HydrophobicContact CG2-CB 4.22Å; V24-L212 HydrophobicContact CG2-CD1 4.33Å; V24-L214 HydrophobicContact CG1-CD1 4.15Å; V24-L214 HydrophobicContact CG1-CG 4.42Å
25I98.3Very high97.1Very high0 Ų026 Ų260%014%0.139CC..EExtended strand (participates in β ladder)trans-123.5121.7172.8-55.7175.7000107.2L139 F202 V211 L212 L213 L214 M223 A224 V227I25-L139 CarbonylContact C-O 3.56Å; I25-L139 WeakPolarHBondContact CA-O 3.46Å; I25-L139 HydrophobicContact CG1-CB 4.36Å; I25-L139 HydrophobicContact CG2-CD2 4.33Å; I25-F202 HydrophobicContact CD1-CE1 3.95Å; I25-V211 HydrophobicContact CD1-CG1 3.98Å; I25-V211 HydrophobicContact CG1-CG1 4.21Å; I25-L212 PolarHBondContact N-O 3.32Å; I25-L213 HydrophobicContact CB-CD1 4.3Å; I25-L213 HydrophobicContact CG2-CD1 4.31Å; I25-L213 CarbonylContact O-C 3.27Å; I25-L213 WeakPolarHBondContact O-CA 3.12Å; I25-L214 PolarHBondContact O-N 2.75Å; I25-M223 HydrophobicContact CG2-CB 3.7Å; I25-M223 HydrophobicContact CG2-CE 4.39Å; I25-A224 HydrophobicContact CD1-CB 3.98Å; I25-V227 HydrophobicContact CD1-CG2 3.66Å
26S98.7Very high97.1Very high0 Ų025.4 Ų25.40%014%0.14CC..EExtended strand (participates in β ladder)trans-132.6140.2-173.7-170.60000111.1L32 L139 I140 F141 L214S26-L32 WeakPolarHBondContact OG-CD2 3.29Å; S26-L32 WeakPolarHBondContact OG-CG 3.44Å; S26-L139 PolarHBondContact N-O 2.9Å; S26-I140 CarbonylContact O-C 3.56Å; S26-I140 VanDerWaalsContact O-CA 3.3Å; S26-I140 WeakPolarHBondContact O-CA 3.38Å; S26-F141 PolarHBondContact O-N 3.27Å; S26-L214 WeakPolarHBondContact CA-O 3.21Å; S26-L214 WeakPolarHBondContact OG-CB 3.46Å
27D98.6Very high97.2Very high8 Ų822.1 Ų22.14%0.04312%0.124CC..  trans-66.9167.5154.9179.962000110.3D29 T31 L32 K191 L214 M223D27-D29 PolarHBondContact OD2-N 2.76Å; D27-D29 VanDerWaalsContact OD2-N 3.17Å; D27-T31 HydrophobicContact CB-CG2 4.37Å; D27-T31 PolarHBondContact OD2-OG1 2.94Å; D27-L32 WeakPolarHBondContact O-CG 3.13Å; D27-K191 IonicContact OD1-NZ 3.69Å; D27-K191 PolarHBondContact OD1-NZ 2.89Å; D27-L214 PolarHBondContact N-O 3.21Å; D27-M223 HydrophobicContact CB-CE 4.18Å; D27-M223 HydrophobicContact CB-SD 4.25Å
28F98.7Very high97.3Very high1 Ų127 Ų270%0.00415%0.145CC..  trans-105.9-61.4178.4-174.5-109.3000113.3M30 T31 L32 T33 L120 I140 L149 V152 I153F28-M30 PolarHBondContact O-N 2.68Å; F28-T31 PolarHBondContact O-N 3.09Å; F28-L32 HydrophobicContact CD2-CB 4.1Å; F28-L32 HydrophobicContact CD2-CD1 4.15Å; F28-L32 HydrophobicContact CE2-CB 4.46Å; F28-L32 PolarHBondContact O-N 2.83Å; F28-T33 HydrophobicContact CD1-CG2 4.19Å; F28-T33 HydrophobicContact CE1-CG2 3.6Å; F28-T33 HydrophobicContact CE2-CG2 4.1Å; F28-T33 HydrophobicContact CZ-CG2 3.55Å; F28-T33 PolarHBondContact O-N 3.27Å; F28-T33 PolarHBondContact O-OG1 3.48Å; F28-L120 HydrophobicContact CE2-CD2 4.2Å; F28-L120 HydrophobicContact CZ-CD2 4.47Å; F28-I140 HydrophobicContact CB-CG2 3.73Å; F28-I140 HydrophobicContact CD2-CG2 4.15Å; F28-I140 HydrophobicContact CG-CG2 4.34Å; F28-L149 HydrophobicContact CB-CD1 3.47Å; F28-L149 VanDerWaalsContact CB-CD1 3.47Å; F28-L149 HydrophobicContact CB-CG 4.23Å; F28-L149 HydrophobicContact CD1-CB 4.07Å; F28-L149 HydrophobicContact CD1-CD1 3.59Å; F28-L149 HydrophobicContact CD1-CG 3.56Å; F28-L149 HydrophobicContact CD2-CD1 3.85Å; F28-L149 HydrophobicContact CD2-CD2 4.25Å; F28-L149 HydrophobicContact CD2-CG 3.67Å; F28-L149 HydrophobicContact CE1-CB 3.98Å; F28-L149 HydrophobicContact CE1-CD1 4.25Å; F28-L149 HydrophobicContact CE1-CG 3.69Å; F28-L149 HydrophobicContact CE2-CD1 4.5Å; F28-L149 HydrophobicContact CE2-CD2 4.32Å; F28-L149 HydrophobicContact CE2-CG 3.83Å; F28-L149 HydrophobicContact CG-CD1 3.35Å; F28-L149 HydrophobicContact CG-CG 3.54Å; F28-L149 HydrophobicContact CZ-CB 4.37Å; F28-L149 HydrophobicContact CZ-CG 3.82Å; F28-V152 HydrophobicContact CZ-CB 4.06Å; F28-V152 HydrophobicContact CZ-CG1 3.87Å; F28-I153 HydrophobicContact CE2-CG2 3.72Å; F28-I153 HydrophobicContact CZ-CG2 4.3Å
29D98.4Very high97.1Very high18 Ų1830 Ų3010%0.09618%0.176CC..THydrogen-bonded Turntrans-72.2122.3-168.8-80.8-47.3000109.9D27 T31 T33 T44 S45D27-D29 PolarHBondContact OD2-N 2.76Å; D27-D29 VanDerWaalsContact OD2-N 3.17Å; D29-T31 PolarHBondContact O-N 3.26Å; D29-T31 VanDerWaalsContact O-N 3.11Å; D29-T33 WeakPolarHBondContact CA-OG1 3.38Å; D29-T44 HydrophobicContact CB-CG2 4.21Å; D29-T44 VanDerWaalsContact OD1-CA 3.25Å; D29-T44 WeakPolarHBondContact OD1-CA 3.41Å; D29-S45 PolarHBondContact OD1-N 3.03Å; D29-S45 WeakPolarHBondContact OD2-CB 3.43Å; D29-S45 PolarHBondContact OD2-N 3.13Å; D29-S45 PolarHBondContact OD2-OG 3.45Å
30M98Very high97.2Very high6 Ų634.2 Ų34.23%0.0319%0.191CC..THydrogen-bonded Turntrans66.74-177.4-37.5-65.5108.900114.4F28 T33 F35 R41 T44 R121 D216 N240F28-M30 PolarHBondContact O-N 2.68Å; M30-T33 CarbonylContact C-O 3.59Å; M30-T33 VanDerWaalsContact C-O 3.27Å; M30-T33 VanDerWaalsContact CA-O 3.24Å; M30-T33 WeakPolarHBondContact CA-O 3.34Å; M30-T33 PolarHBondContact N-OG1 2.99Å; M30-F35 HydrophobicContact CG-CD2 4.48Å; M30-F35 HydrophobicContact SD-CB 4.26Å; M30-F35 HydrophobicContact SD-CD2 4.14Å; M30-F35 HydrophobicContact SD-CG 4.49Å; M30-R41 PolarHBondContact SD-NH2 3.35Å; M30-T44 HydrophobicContact CE-CG2 3.57Å; M30-T44 HydrophobicContact SD-CG2 4.44Å; M30-R121 PolarHBondContact O-NH2 3.42Å; M30-D216 HydrophobicContact CB-CB 4.35Å; M30-D216 WeakPolarHBondContact CB-OD2 3.49Å; M30-N240 PolarHBondContact O-ND2 2.93Å
31T98.7Very high97.2Very high0 Ų036.8 Ų36.80%019%0.191CC..THydrogen-bonded Turntrans-108.3-61.6172-62.70000110.9D27 F28 D29 R121 L214 G215 D216 F238D27-T31 HydrophobicContact CB-CG2 4.37Å; D27-T31 PolarHBondContact OD2-OG1 2.94Å; F28-T31 PolarHBondContact O-N 3.09Å; D29-T31 PolarHBondContact O-N 3.26Å; D29-T31 VanDerWaalsContact O-N 3.11Å; T31-R121 WeakPolarHBondContact O-CD 3.5Å; T31-R121 PolarHBondContact O-NE 2.79Å; T31-L214 HydrophobicContact CG2-CB 3.84Å; T31-G215 WeakPolarHBondContact OG1-CA 3.34Å; T31-D216 PolarHBondContact OG1-N 2.94Å; T31-D216 VanDerWaalsContact OG1-N 3.09Å; T31-D216 PolarHBondContact OG1-OD1 3.45Å; T31-F238 HydrophobicContact CG2-CD2 3.97Å; T31-F238 HydrophobicContact CG2-CE2 3.98Å
32L98.8Very high97.3Very high0 Ų033.9 Ų33.90%018%0.179CC..THydrogen-bonded Turntrans-88.5-31.2172.1-59.4-178.2000111.6S26 D27 F28 L120 R121 F127 F128 I140 L214 M264S26-L32 WeakPolarHBondContact OG-CD2 3.29Å; S26-L32 WeakPolarHBondContact OG-CG 3.44Å; D27-L32 WeakPolarHBondContact O-CG 3.13Å; F28-L32 HydrophobicContact CD2-CB 4.1Å; F28-L32 HydrophobicContact CD2-CD1 4.15Å; F28-L32 HydrophobicContact CE2-CB 4.46Å; F28-L32 PolarHBondContact O-N 2.83Å; L32-L120 HydrophobicContact CB-CD2 4.45Å; L32-L120 WeakPolarHBondContact O-CA 3.44Å; L32-R121 PolarHBondContact O-N 3.38Å; L32-F127 HydrophobicContact CD2-CE1 4.1Å; L32-F128 HydrophobicContact CD1-CZ 3.88Å; L32-I140 HydrophobicContact CD1-CD1 3.94Å; L32-I140 HydrophobicContact CD1-CG1 4.09Å; L32-L214 HydrophobicContact CD2-CD1 4.49Å; L32-M264 HydrophobicContact CB-CE 4.23Å; L32-M264 HydrophobicContact CD2-CE 3.42Å; L32-M264 VanDerWaalsContact CD2-CE 3.42Å; L32-M264 HydrophobicContact CG-CE 4.41Å
33T98.8Very high97.3Very high4 Ų434.5 Ų34.53%0.02518%0.183CC..BIsolated β-bridgetrans-86.6152168.760.40000111.3F28 D29 M30 M119 L120F28-T33 HydrophobicContact CD1-CG2 4.19Å; F28-T33 HydrophobicContact CE1-CG2 3.6Å; F28-T33 HydrophobicContact CE2-CG2 4.1Å; F28-T33 HydrophobicContact CZ-CG2 3.55Å; F28-T33 PolarHBondContact O-N 3.27Å; F28-T33 PolarHBondContact O-OG1 3.48Å; D29-T33 WeakPolarHBondContact CA-OG1 3.38Å; M30-T33 CarbonylContact C-O 3.59Å; M30-T33 VanDerWaalsContact C-O 3.27Å; M30-T33 VanDerWaalsContact CA-O 3.24Å; M30-T33 WeakPolarHBondContact CA-O 3.34Å; M30-T33 PolarHBondContact N-OG1 2.99Å; T33-M119 CarbonylContact C-O 3.51Å; T33-M119 VanDerWaalsContact CA-O 3.23Å; T33-M119 WeakPolarHBondContact CA-O 3.35Å; T33-M119 WeakPolarHBondContact CB-O 3.42Å; T33-L120 HydrophobicContact CG2-CD2 3.95Å
34R98.6Very high97.3Very high36 Ų3635.8 Ų35.814%0.13619%0.191CC..  trans-64.9150.6175.8-67.7-173.9-172.3-137.82.1110.5C42 M119 L120 R121 E122 E262R34-C42 HydrophobicContact CB-CB 4.4Å; R34-C42 VanDerWaalsContact O-CB 3.32Å; R34-C42 WeakPolarHBondContact O-CB 3.43Å; R34-M119 HydrophobicContact CB-CB 4.27Å; R34-M119 HydrophobicContact CG-CB 4.1Å; R34-M119 PolarHBondContact N-O 3.27Å; R34-L120 WeakPolarHBondContact CG-O 3.46Å; R34-L120 PolarHBondContact NE-O 3.16Å; R34-L120 VanDerWaalsContact NE-O 3.12Å; R34-R121 HydrophobicContact CG-CG 4.38Å; R34-E122 IonicContact NH2-OE2 3.62Å; R34-E262 WeakPolarHBondContact CA-OE2 3.36Å; R34-E262 VanDerWaalsContact CB-OE2 3.26Å; R34-E262 WeakPolarHBondContact CB-OE2 3.38Å; R34-E262 HydrophobicContact CG-CB 4.49Å
35F97.9Very high97.2Very high29 Ų2935.7 Ų35.713%0.12719%0.191CC..SBendtrans-83-45.1169.3173.2-84000110.9M30 R41 C42 N240 D241 E262M30-F35 HydrophobicContact CG-CD2 4.48Å; M30-F35 HydrophobicContact SD-CB 4.26Å; M30-F35 HydrophobicContact SD-CD2 4.14Å; M30-F35 HydrophobicContact SD-CG 4.49Å; F35-R41 WeakPolarHBondContact O-CD 3.27Å; F35-R41 PolarHBondContact O-NE 3.02Å; F35-C42 PolarHBondContact O-N 3.26Å; F35-N240 HydrophobicContact CB-CB 3.74Å; F35-N240 HydrophobicContact CD1-CB 4.13Å; F35-N240 HydrophobicContact CD2-CB 3.13Å; F35-N240 HydrophobicContact CE2-CB 3.53Å; F35-N240 HydrophobicContact CG-CB 3.44Å; F35-N240 VanDerWaalsContact CG-CB 3.44Å; F35-N240 HydrophobicContact CZ-CB 4.27Å; F35-D241 HydrophobicContact CE2-CB 3.8Å; F35-D241 HydrophobicContact CZ-CB 3.6Å; F35-E262 WeakPolarHBondContact CB-OE1 3.32Å; F35-E262 PolarHBondContact N-OE1 3.49Å; F35-E262 PolarHBondContact N-OE2 3.13Å
36A96.4Very high97Very high24 Ų2436.2 Ų36.220%0.19819%0.193CC..EExtended strand (participates in β ladder)trans-143.6156.3177.600000112.7K40 E262A36-K40 CarbonylContact C-O 3.57Å; A36-K40 WeakPolarHBondContact CA-O 3.37Å; A36-K40 VanDerWaalsContact CB-O 3.3Å; A36-K40 WeakPolarHBondContact CB-O 3.35Å; A36-E262 PolarHBondContact N-OE1 3.01Å
37Y96.9Very high96.8Very high105 Ų10539 Ų3941%0.41221%0.208SC..EExtended strand (participates in β ladder)trans-139.2128.2172.9-175.7-111.2000109.6G39 K40 M119Y37-G39 PolarHBondContact O-N 3.42Å; Y37-G39 VanDerWaalsContact O-N 3.17Å; Y37-K40 PolarHBondContact N-O 3.47Å; Y37-K40 PolarHBondContact O-N 3.06Å; Y37-M119 HydrophobicContact CD1-CE 3.61Å; Y37-M119 HydrophobicContact CD1-SD 3.65Å; Y37-M119 HydrophobicContact CD2-SD 3.85Å; Y37-M119 HydrophobicContact CE1-CE 3.74Å; Y37-M119 HydrophobicContact CE1-SD 4.19Å; Y37-M119 HydrophobicContact CE2-SD 4.38Å; Y37-M119 HydrophobicContact CG-CE 4.08Å; Y37-M119 HydrophobicContact CG-SD 3.45Å
38N95Very high96.7Very high140 Ų14039 Ų3975%0.74921%0.208SC*.THydrogen-bonded Turntrans49.640.1-177.2-65.7-18.9000114K40N38-K40 PolarHBondContact O-N 2.9Å
39G90.9Very high96.5Very high85 Ų8539 Ų3988%0.87621%0.208SC*.THydrogen-bonded Turntrans77.6-2.4179.600000115.3Y37Y37-G39 PolarHBondContact O-N 3.42Å; Y37-G39 VanDerWaalsContact O-N 3.17Å
40K94.6Very high96.1Very high127 Ų12739.5 Ų39.555%0.55221%0.21SC*.EExtended strand (participates in β ladder)trans-98.1138.7173.3-172.3-174.5175.1-169.60110A36 Y37 N38 D117A36-K40 CarbonylContact C-O 3.57Å; A36-K40 WeakPolarHBondContact CA-O 3.37Å; A36-K40 VanDerWaalsContact CB-O 3.3Å; A36-K40 WeakPolarHBondContact CB-O 3.35Å; Y37-K40 PolarHBondContact N-O 3.47Å; Y37-K40 PolarHBondContact O-N 3.06Å; N38-K40 PolarHBondContact O-N 2.9Å; K40-D117 IonicContact NZ-OD2 3.97Å; K40-D117 PolarHBondContact NZ-OD2 2.74Å
41R95.5Very high95.8Very high118 Ų11844.8 Ų44.845%0.44524%0.239SC..EExtended strand (participates in β ladder)trans-65.4131173.7-170.172.6-167.3-114-3110.4M30 F35M30-R41 PolarHBondContact SD-NH2 3.35Å; F35-R41 WeakPolarHBondContact O-CD 3.27Å; F35-R41 PolarHBondContact O-NE 3.02Å
42C97.3Very high95.6Very high7 Ų745.4 Ų45.45%0.04724%0.243CC..PPolyproline II helixtrans-79148171.5-72.40000110.5R34 F35R34-C42 HydrophobicContact CB-CB 4.4Å; R34-C42 VanDerWaalsContact O-CB 3.32Å; R34-C42 WeakPolarHBondContact O-CB 3.43Å; F35-C42 PolarHBondContact O-N 3.26Å
43P96.9Very high95.2Very high13 Ų1353.4 Ų53.48%0.08428%0.278CS..PPolyproline II helixtrans-74.5143.1-177.932-35.3000111.6N47 I48 D117 A118P43-N47 HydrophobicContact CB-CB 3.75Å; P43-I48 HydrophobicContact CB-CG1 3.96Å; P43-I48 HydrophobicContact CG-CG1 3.84Å; P43-D117 WeakPolarHBondContact CD-O 3.32Å; P43-A118 HydrophobicContact CG-CB 4.31Å
44T96.9Very high94.9Very high29 Ų2955 Ų5518%0.17829%0.287CS..PPolyproline II helixtrans-71.6169.1160.363.10000110.5D29 M30 H46 N47 I48D29-T44 HydrophobicContact CB-CG2 4.21Å; D29-T44 VanDerWaalsContact OD1-CA 3.25Å; D29-T44 WeakPolarHBondContact OD1-CA 3.41Å; M30-T44 HydrophobicContact CE-CG2 3.57Å; M30-T44 HydrophobicContact SD-CG2 4.44Å; T44-H46 PolarHBondContact O-N 2.96Å; T44-N47 CarbonylContact O-C 3.59Å; T44-N47 PolarHBondContact O-N 3.15Å; T44-N47 VanDerWaalsContact OG1-CG 3.24Å; T44-N47 PolarHBondContact OG1-N 3.26Å; T44-N47 VanDerWaalsContact OG1-N 3.1Å; T44-N47 PolarHBondContact OG1-OD1 2.86Å; T44-I48 WeakPolarHBondContact O-CG1 3.4Å; T44-I48 PolarHBondContact O-N 3.08Å
45S97.2Very high94.8Very high0 Ų053.6 Ų53.60%028%0.281CS..Hα-helixtrans-51.6-40.5171.459.60000113.2D29 G144 L145D29-S45 PolarHBondContact OD1-N 3.03Å; D29-S45 WeakPolarHBondContact OD2-CB 3.43Å; D29-S45 PolarHBondContact OD2-N 3.13Å; D29-S45 PolarHBondContact OD2-OG 3.45Å; S45-G144 WeakPolarHBondContact OG-CA 3.35Å; S45-L145 PolarHBondContact OG-N 3.36Å
46H94.1Very high94.7Very high10 Ų1054.6 Ų54.65%0.04629%0.292CS..Hα-helixtrans-64.8-47.5171.4-77.196000111.7T44 I48 L49 D50 W92 H96 L145T44-H46 PolarHBondContact O-N 2.96Å; H46-I48 VanDerWaalsContact C-N 3.28Å; H46-I48 PolarHBondContact O-N 3.36Å; H46-L49 WeakPolarHBondContact O-CA 3.32Å; H46-L49 WeakPolarHBondContact O-CB 3.33Å; H46-L49 PolarHBondContact O-N 3.2Å; H46-D50 PolarHBondContact O-N 3.21Å; H46-W92 AromaticContact CD2-CZ3 3.5Å; H46-W92 VanDerWaalsContact CD2-CZ3 3.5Å; H46-W92 WeakPolarHBondContact CD2-CZ3 3.4Å; H46-W92 AromaticContact CE1-CH2 3.74Å; H46-W92 AromaticContact CE1-CZ3 3.43Å; H46-W92 VanDerWaalsContact CE1-CZ3 3.43Å; H46-W92 WeakPolarHBondContact CE1-CZ3 3.21Å; H46-W92 AromaticContact CG-CH2 3.96Å; H46-W92 AromaticContact CG-CZ3 3.79Å; H46-W92 AromaticContact ND1-CH2 3.71Å; H46-W92 AromaticContact ND1-CZ3 3.76Å; H46-W92 AromaticContact NE2-CE3 3.83Å; H46-W92 AromaticContact NE2-CZ3 3.27Å; H46-W92 VanDerWaalsContact NE2-CZ3 3.27Å; H46-W92 WeakPolarHBondContact NE2-CZ3 3.19Å; H46-H96 AromaticContact NE2-NE2 3.59Å; H46-L145 VanDerWaalsContact NE2-CD2 3.33Å; H46-L145 WeakPolarHBondContact NE2-CD2 3.47Å
47N94.1Very high94.7Very high59 Ų5960.1 Ų60.132%0.31631%0.314SS..Hα-helixtrans-67.9-25.7-177.9-62156.2000113.9P43 T44 L49 D50 N51P43-N47 HydrophobicContact CB-CB 3.75Å; T44-N47 CarbonylContact O-C 3.59Å; T44-N47 PolarHBondContact O-N 3.15Å; T44-N47 VanDerWaalsContact OG1-CG 3.24Å; T44-N47 PolarHBondContact OG1-N 3.26Å; T44-N47 VanDerWaalsContact OG1-N 3.1Å; T44-N47 PolarHBondContact OG1-OD1 2.86Å; N47-L49 VanDerWaalsContact C-N 3.25Å; N47-L49 PolarHBondContact O-N 3.4Å; N47-D50 PolarHBondContact ND2-OD2 3.47Å; N47-N51 WeakPolarHBondContact O-CB 3.48Å; N47-N51 PolarHBondContact O-N 3.34Å; N47-N51 PolarHBondContact O-ND2 3.24Å
48I96.7Very high94.6Very high8 Ų862 Ų624%0.04133%0.327CS..Hα-helixtrans-57.4-45.4169.7-71.1168.9000109.4P43 T44 H46 V112 V113 A118 V148 V152P43-I48 HydrophobicContact CB-CG1 3.96Å; P43-I48 HydrophobicContact CG-CG1 3.84Å; T44-I48 WeakPolarHBondContact O-CG1 3.4Å; T44-I48 PolarHBondContact O-N 3.08Å; H46-I48 VanDerWaalsContact C-N 3.28Å; H46-I48 PolarHBondContact O-N 3.36Å; I48-V112 HydrophobicContact CG2-CG1 3.75Å; I48-V113 HydrophobicContact CG2-CG2 4.16Å; I48-A118 HydrophobicContact CD1-CB 3.5Å; I48-A118 VanDerWaalsContact CD1-CB 3.5Å; I48-A118 HydrophobicContact CG1-CB 4.04Å; I48-V148 HydrophobicContact CB-CG1 3.97Å; I48-V148 HydrophobicContact CD1-CG1 3.92Å; I48-V148 HydrophobicContact CG2-CG1 3.76Å; I48-V152 HydrophobicContact CD1-CG2 3.8Å
49L94.4Very high94.7Very high0 Ų055.4 Ų55.40%029%0.291CS..Hα-helixtrans-73.9-47.8178-170.965.4000112.1H46 N47 N51 S52 L54 I55 L99 I104 L109 L145 M170H46-L49 WeakPolarHBondContact O-CA 3.32Å; H46-L49 WeakPolarHBondContact O-CB 3.33Å; H46-L49 PolarHBondContact O-N 3.2Å; N47-L49 VanDerWaalsContact C-N 3.25Å; N47-L49 PolarHBondContact O-N 3.4Å; L49-N51 VanDerWaalsContact C-N 3.27Å; L49-N51 PolarHBondContact O-N 3.19Å; L49-S52 WeakPolarHBondContact O-CB 3.46Å; L49-S52 PolarHBondContact O-N 3.48Å; L49-S52 PolarHBondContact O-OG 3.3Å; L49-L54 HydrophobicContact CD1-CD1 4.5Å; L49-I55 HydrophobicContact CG-CD1 4.22Å; L49-I55 HydrophobicContact CG-CG1 4.41Å; L49-I55 WeakPolarHBondContact O-CG1 3.49Å; L49-L99 HydrophobicContact CD2-CD1 4.12Å; L49-L99 HydrophobicContact CD2-CD2 4.09Å; L49-I104 HydrophobicContact CD1-CD1 4.15Å; L49-I104 HydrophobicContact CD1-CG2 4.32Å; L49-I104 HydrophobicContact CD2-CD1 3.78Å; L49-I104 HydrophobicContact CG-CD1 4.22Å; L49-L109 HydrophobicContact CD1-CD2 4.1Å; L49-L145 HydrophobicContact CB-CD1 4Å; L49-L145 HydrophobicContact CD2-CD1 3.61Å; L49-L145 HydrophobicContact CG-CD1 4.5Å; L49-M170 HydrophobicContact CD2-CE 3.52Å
50D91.4Very high94.9Very high29 Ų2953.7 Ų53.716%0.15526%0.26CS..Hα-helixtrans-58.5-38.8-177.6-59.2-27.3000112.1H46 N47 S52 K60H46-D50 PolarHBondContact O-N 3.21Å; N47-D50 PolarHBondContact ND2-OD2 3.47Å; D50-S52 VanDerWaalsContact C-N 3.27Å; D50-S52 PolarHBondContact O-N 3Å; D50-K60 WeakPolarHBondContact O-CE 3.45Å
51N91.1Very high94.9Very high117 Ų11750 Ų5063%0.62625%0.253SS*.THydrogen-bonded Turntrans-81.7-7-180-66.2-35000113.2N47 L49N47-N51 WeakPolarHBondContact O-CB 3.48Å; N47-N51 PolarHBondContact O-N 3.34Å; N47-N51 PolarHBondContact O-ND2 3.24Å; L49-N51 VanDerWaalsContact C-N 3.27Å; L49-N51 PolarHBondContact O-N 3.19Å
52S93.4Very high95Very high14 Ų1448 Ų4810%0.09825%0.249CC..SBendtrans-72.5169.8-177810000112.6L49 D50 L54 K60L49-S52 WeakPolarHBondContact O-CB 3.46Å; L49-S52 PolarHBondContact O-N 3.48Å; L49-S52 PolarHBondContact O-OG 3.3Å; D50-S52 VanDerWaalsContact C-N 3.27Å; D50-S52 PolarHBondContact O-N 3Å; S52-L54 PolarHBondContact O-N 3Å; S52-L54 WeakPolarHBondContact OG-CB 3.42Å; S52-L54 PolarHBondContact OG-N 3Å; S52-L54 VanDerWaalsContact OG-N 3.12Å; S52-K60 PolarHBondContact O-NZ 2.86Å
53K90.9Very high94.8Very high167 Ų16748.5 Ų48.573%0.72625%0.251SS*.THydrogen-bonded Turntrans-75.7-7.2172.1-59.6170.7-169.3135.10112.7I55 E115K53-I55 VanDerWaalsContact C-N 3.29Å; K53-E115 IonicContact NZ-OE1 2.72Å; K53-E115 IonicContact NZ-OE2 3.88Å; K53-E115 PolarHBondContact NZ-OE2 2.85Å
54L93.3Very high94.6Very high39 Ų3954.2 Ų54.220%0.20427%0.274CS..THydrogen-bonded Turntrans-79.2-16.4-180-54.1-170000112.7L49 S52 I104 L108 V112L49-L54 HydrophobicContact CD1-CD1 4.5Å; S52-L54 PolarHBondContact O-N 3Å; S52-L54 WeakPolarHBondContact OG-CB 3.42Å; S52-L54 PolarHBondContact OG-N 3Å; S52-L54 VanDerWaalsContact OG-N 3.12Å; L54-I104 HydrophobicContact CD1-CG2 3.88Å; L54-L108 HydrophobicContact CD1-CB 3.79Å; L54-L108 HydrophobicContact CD2-CB 4.05Å; L54-L108 HydrophobicContact CD2-CD1 3.52Å; L54-L108 HydrophobicContact CD2-CG 4.4Å; L54-V112 HydrophobicContact CD1-CG2 3.42Å; L54-V112 VanDerWaalsContact CD1-CG2 3.42Å; L54-V112 HydrophobicContact CD2-CG2 4.49Å; L54-V112 HydrophobicContact CG-CG2 3.63Å
55I95.6Very high94.6Very high5 Ų557.6 Ų57.63%0.02629%0.291CS..SBendtrans-106.8125.9-178.6-50.8-57.8000108.3L49 K53 C59 K60 L63 L99 Q102 I104L49-I55 HydrophobicContact CG-CD1 4.22Å; L49-I55 HydrophobicContact CG-CG1 4.41Å; L49-I55 WeakPolarHBondContact O-CG1 3.49Å; K53-I55 VanDerWaalsContact C-N 3.29Å; I55-C59 HydrophobicContact CG2-CB 3.73Å; I55-K60 HydrophobicContact CB-CG 4.36Å; I55-K60 HydrophobicContact CG2-CG 3.81Å; I55-K60 WeakPolarHBondContact O-CE 3.3Å; I55-L63 HydrophobicContact CG2-CD1 4.32Å; I55-L99 HydrophobicContact CD1-CD2 3.79Å; I55-Q102 HydrophobicContact CD1-CB 4.1Å; I55-Q102 HydrophobicContact CD1-CG 3.81Å; I55-Q102 HydrophobicContact CG2-CG 4.36Å; I55-I104 HydrophobicContact CD1-CD1 3.65Å; I55-I104 HydrophobicContact CD1-CG1 4.24Å
56S96.4Very high94.5Very high51 Ų5158.7 Ų58.736%0.35730%0.297SS..  trans-65.1151.8176.260.70000111.9E58 C59 K60 Q102S56-E58 PolarHBondContact O-N 2.83Å; S56-C59 PolarHBondContact O-N 3.29Å; S56-C59 VanDerWaalsContact O-N 3.09Å; S56-C59 VanDerWaalsContact OG-CB 3.31Å; S56-C59 WeakPolarHBondContact OG-CB 3.45Å; S56-C59 PolarHBondContact OG-N 3.17Å; S56-K60 WeakPolarHBondContact O-CG 3.17Å; S56-K60 PolarHBondContact O-N 3.42Å; S56-Q102 PolarHBondContact OG-OE1 3.44Å
57E95.3Very high94.5Very high139 Ų13961.9 Ų61.965%0.6531%0.314SS*.Hα-helixtrans-60.1-32176.9-64.9-56.3126.800112.7K60 A61E57-K60 PolarHBondContact O-N 2.96Å; E57-K60 WeakPolarHBondContact OE1-CE 3.47Å; E57-K60 IonicContact OE1-NZ 3.21Å; E57-K60 PolarHBondContact OE1-NZ 2.98Å; E57-A61 PolarHBondContact O-N 3.43Å
58E96.6Very high94.5Very high146 Ų14663.6 Ų63.668%0.68232%0.323SS*.Hα-helixtrans-62.9-48.5172.7-177.2178.2-176.500111.4S56 K60 A61 Q62S56-E58 PolarHBondContact O-N 2.83Å; E58-K60 VanDerWaalsContact C-N 3.32Å; E58-K60 PolarHBondContact O-N 3.04Å; E58-A61 WeakPolarHBondContact O-CB 3.23Å; E58-A61 PolarHBondContact O-N 3.29Å; E58-Q62 WeakPolarHBondContact O-CG 3.16Å; E58-Q62 PolarHBondContact O-N 2.92Å
59C96.1Very high94.4Very high1 Ų167.1 Ų67.11%0.00735%0.345CS..Hα-helixtrans-63.5-38.3176.6-175.50000111.9I55 S56 A61 Q62 L63 Q102I55-C59 HydrophobicContact CG2-CB 3.73Å; S56-C59 PolarHBondContact O-N 3.29Å; S56-C59 VanDerWaalsContact O-N 3.09Å; S56-C59 VanDerWaalsContact OG-CB 3.31Å; S56-C59 WeakPolarHBondContact OG-CB 3.45Å; S56-C59 PolarHBondContact OG-N 3.17Å; C59-A61 VanDerWaalsContact C-N 3.3Å; C59-A61 PolarHBondContact O-N 3.17Å; C59-Q62 PolarHBondContact O-N 2.87Å; C59-L63 WeakPolarHBondContact O-CB 3.43Å; C59-L63 WeakPolarHBondContact O-CG 3.38Å; C59-L63 PolarHBondContact O-N 3.21Å; C59-Q102 VanDerWaalsContact CB-CD 3.43Å; C59-Q102 HydrophobicContact CB-CG 4.2Å
60K94.8Very high94.4Very high49 Ų4967.7 Ų67.721%0.21335%0.347CS..Hα-helixtrans-59.9-41.1174.2-68.2178.7-167.1171.20111.6D50 S52 I55 S56 E57 E58 K64D50-K60 WeakPolarHBondContact O-CE 3.45Å; S52-K60 PolarHBondContact O-NZ 2.86Å; I55-K60 HydrophobicContact CB-CG 4.36Å; I55-K60 HydrophobicContact CG2-CG 3.81Å; I55-K60 WeakPolarHBondContact O-CE 3.3Å; S56-K60 WeakPolarHBondContact O-CG 3.17Å; S56-K60 PolarHBondContact O-N 3.42Å; E57-K60 PolarHBondContact O-N 2.96Å; E57-K60 WeakPolarHBondContact OE1-CE 3.47Å; E57-K60 IonicContact OE1-NZ 3.21Å; E57-K60 PolarHBondContact OE1-NZ 2.98Å; E58-K60 VanDerWaalsContact C-N 3.32Å; E58-K60 PolarHBondContact O-N 3.04Å; K60-K64 VanDerWaalsContact O-CB 3.32Å; K60-K64 WeakPolarHBondContact O-CB 3.39Å; K60-K64 PolarHBondContact O-N 2.85Å
61A95.3Very high94.4Very high50 Ų5070.3 Ų70.341%0.41336%0.356SS..Hα-helixtrans-62.9-44.7175.100000111.5E57 E58 C59 K64 D65E57-A61 PolarHBondContact O-N 3.43Å; E58-A61 WeakPolarHBondContact O-CB 3.23Å; E58-A61 PolarHBondContact O-N 3.29Å; C59-A61 VanDerWaalsContact C-N 3.3Å; C59-A61 PolarHBondContact O-N 3.17Å; A61-K64 WeakPolarHBondContact O-CB 3.36Å; A61-K64 PolarHBondContact O-N 3.44Å; A61-D65 PolarHBondContact O-N 3.38Å
62Q96.6Very high94.4Very high75 Ų7568 Ų6835%0.3535%0.347SS..Hα-helixtrans-63.3-43.7177.4-67173.4-4800112.7E58 C59 K64 D65 L66 L98E58-Q62 WeakPolarHBondContact O-CG 3.16Å; E58-Q62 PolarHBondContact O-N 2.92Å; C59-Q62 PolarHBondContact O-N 2.87Å; Q62-K64 VanDerWaalsContact C-N 3.3Å; Q62-K64 PolarHBondContact O-N 2.84Å; Q62-D65 PolarHBondContact O-N 3.28Å; Q62-L66 WeakPolarHBondContact O-CG 3.23Å; Q62-L66 PolarHBondContact O-N 3.49Å; Q62-L98 HydrophobicContact CB-CD1 3.71Å; Q62-L98 HydrophobicContact CB-CD2 4.36Å
63L94.3Very high94.3Very high18 Ų1868.8 Ų68.89%0.09435%0.35CS..Hα-helixtrans-62.7-38.7175.4-70.8168000111.4I55 C59 L66 L67 A95 L98 L99I55-L63 HydrophobicContact CG2-CD1 4.32Å; C59-L63 WeakPolarHBondContact O-CB 3.43Å; C59-L63 WeakPolarHBondContact O-CG 3.38Å; C59-L63 PolarHBondContact O-N 3.21Å; L63-L66 PolarHBondContact O-N 2.98Å; L63-L67 PolarHBondContact O-N 2.72Å; L63-A95 HydrophobicContact CD2-CB 3.93Å; L63-L98 HydrophobicContact CD2-CB 4.29Å; L63-L98 HydrophobicContact CD2-CD1 3.94Å; L63-L98 HydrophobicContact CG-CD1 4.19Å; L63-L99 HydrophobicContact CD1-CD2 4.15Å
64K93Very high94.2Very high133 Ų13362 Ų6258%0.57832%0.321SS*.Hα-helixtrans-64.7-39174.7-173.5178.2-178.5179.80112.2K60 A61 Q62 L67 N68K60-K64 VanDerWaalsContact O-CB 3.32Å; K60-K64 WeakPolarHBondContact O-CB 3.39Å; K60-K64 PolarHBondContact O-N 2.85Å; A61-K64 WeakPolarHBondContact O-CB 3.36Å; A61-K64 PolarHBondContact O-N 3.44Å; Q62-K64 VanDerWaalsContact C-N 3.3Å; Q62-K64 PolarHBondContact O-N 2.84Å; K64-L67 WeakPolarHBondContact O-CB 2.84Å; K64-L67 PolarHBondContact O-N 3.24Å; K64-N68 WeakPolarHBondContact O-CB 3.23Å; K64-N68 PolarHBondContact O-N 3.23Å; K64-N68 PolarHBondContact O-ND2 3.07Å
65D96.3Very high93.7Very high99 Ų9962.6 Ų62.653%0.52932%0.324SS..Hα-helixtrans-65.8-40.7175.9-71.9-18.8000111.9A61 Q62 N68 T69A61-D65 PolarHBondContact O-N 3.38Å; Q62-D65 PolarHBondContact O-N 3.28Å; D65-N68 PolarHBondContact O-N 2.88Å; D65-T69 WeakPolarHBondContact O-CB 3.49Å; D65-T69 PolarHBondContact O-N 3.31Å; D65-T69 PolarHBondContact O-OG1 2.94Å
66L96.1Very high93.1Very high24 Ų2464.5 Ų64.513%0.12633%0.334CS..Hα-helixtrans-59-48.9170.2-65.9177.6000111.2Q62 L63 N68 T69 Y70 K94 A95 L98Q62-L66 WeakPolarHBondContact O-CG 3.23Å; Q62-L66 PolarHBondContact O-N 3.49Å; L63-L66 PolarHBondContact O-N 2.98Å; L66-N68 PolarHBondContact O-N 3Å; L66-T69 PolarHBondContact O-N 3.26Å; L66-T69 VanDerWaalsContact O-N 3.11Å; L66-Y70 HydrophobicContact CB-CD2 4.43Å; L66-Y70 HydrophobicContact CD2-CD2 4.38Å; L66-Y70 HydrophobicContact CD2-CE2 3.91Å; L66-Y70 VanDerWaalsContact O-CD2 3.3Å; L66-Y70 WeakPolarHBondContact O-CD2 2.97Å; L66-Y70 PolarHBondContact O-N 2.55Å; L66-K94 HydrophobicContact CD1-CB 3.77Å; L66-K94 HydrophobicContact CD2-CB 3.98Å; L66-K94 HydrophobicContact CD2-CD 3.77Å; L66-A95 HydrophobicContact CD1-CB 4.24Å; L66-L98 HydrophobicContact CD1-CD1 3.7Å
67L92.4Very high92.3Very high76 Ų7667.7 Ų67.740%0.39836%0.356SS..Hα-helixtrans-55.8-49.1177179.872.1000111.4L63 K64 T69 Y70 Y71 W91L63-L67 PolarHBondContact O-N 2.72Å; K64-L67 WeakPolarHBondContact O-CB 2.84Å; K64-L67 PolarHBondContact O-N 3.24Å; L67-T69 PolarHBondContact O-N 2.97Å; L67-Y70 PolarHBondContact O-N 2.87Å; L67-Y71 HydrophobicContact CD1-CG 4.32Å; L67-Y71 WeakPolarHBondContact O-CB 3.29Å; L67-Y71 PolarHBondContact O-N 2.77Å; L67-W91 HydrophobicContact CB-CZ2 4.34Å; L67-W91 HydrophobicContact CD1-CH2 3.83Å; L67-W91 HydrophobicContact CD1-CZ2 3.61Å
68N93.8Very high91.9Very high96 Ų9670 Ų7051%0.51336%0.364SS..Hα-helixtrans-61.1-30179.5-69.8-26.2000112.9K64 D65 L66 P72K64-N68 WeakPolarHBondContact O-CB 3.23Å; K64-N68 PolarHBondContact O-N 3.23Å; K64-N68 PolarHBondContact O-ND2 3.07Å; D65-N68 PolarHBondContact O-N 2.88Å; L66-N68 PolarHBondContact O-N 3Å; N68-P72 WeakPolarHBondContact O-CD 3.49Å; N68-P72 WeakPolarHBondContact O-CG 3.48Å
69T95.7Very high91.5Very high82 Ų8267.9 Ų67.950%0.50335%0.349SS..Hα-helixtrans-80.6-49179.6-57.70000111.9D65 L66 L67D65-T69 WeakPolarHBondContact O-CB 3.49Å; D65-T69 PolarHBondContact O-N 3.31Å; D65-T69 PolarHBondContact O-OG1 2.94Å; L66-T69 PolarHBondContact O-N 3.26Å; L66-T69 VanDerWaalsContact O-N 3.11Å; L67-T69 PolarHBondContact O-N 2.97Å
70Y94.8Very high91.1Very high12 Ų1271 Ų715%0.04737%0.368CS..Hα-helixtrans-95.6-31.2-167.6-70.5-79.3000114.2L66 L67 I73 E74 L87 M88 E90 W91 K94L66-Y70 HydrophobicContact CB-CD2 4.43Å; L66-Y70 HydrophobicContact CD2-CD2 4.38Å; L66-Y70 HydrophobicContact CD2-CE2 3.91Å; L66-Y70 VanDerWaalsContact O-CD2 3.3Å; L66-Y70 WeakPolarHBondContact O-CD2 2.97Å; L66-Y70 PolarHBondContact O-N 2.55Å; L67-Y70 PolarHBondContact O-N 2.87Å; Y70-I73 HydrophobicContact CD1-CD1 4.48Å; Y70-I73 WeakPolarHBondContact O-CA 3.43Å; Y70-I73 WeakPolarHBondContact O-CB 3.31Å; Y70-I73 PolarHBondContact O-N 3.31Å; Y70-E74 PolarHBondContact O-N 3.18Å; Y70-L87 HydrophobicContact CD1-CB 4.42Å; Y70-L87 WeakPolarHBondContact CD1-O 3.48Å; Y70-L87 HydrophobicContact CE1-CB 4.42Å; Y70-L87 WeakPolarHBondContact CE1-O 3.36Å; Y70-M88 HydrophobicContact CD1-CE 4.3Å; Y70-E90 HydrophobicContact CE1-CB 4.42Å; Y70-E90 WeakPolarHBondContact OH-CG 3.39Å; Y70-E90 PolarHBondContact OH-OE1 3.35Å; Y70-E90 VanDerWaalsContact OH-OE1 3.1Å; Y70-E90 PolarHBondContact OH-OE2 3.05Å; Y70-W91 VanDerWaalsContact CB-CE3 3.42Å; Y70-W91 VanDerWaalsContact CB-CG 3.47Å; Y70-W91 HydrophobicContact CD1-CB 3.73Å; Y70-W91 HydrophobicContact CD1-CG 4.3Å; Y70-W91 HydrophobicContact CD2-CB 3.61Å; Y70-W91 AromaticContact CD2-CD1 3.58Å; Y70-W91 HydrophobicContact CD2-CD2 4.24Å; Y70-W91 AromaticContact CD2-CG 3.51Å; Y70-W91 HydrophobicContact CD2-CG 3.51Å; Y70-W91 HydrophobicContact CE1-CB 4.15Å; Y70-W91 HydrophobicContact CE2-CB 4.07Å; Y70-W91 HydrophobicContact CE2-CG 4.32Å; Y70-W91 HydrophobicContact CG-CB 3.44Å; Y70-W91 VanDerWaalsContact CG-CB 3.44Å; Y70-W91 AromaticContact CG-CD2 3.95Å; Y70-W91 HydrophobicContact CG-CD2 3.95Å; Y70-W91 HydrophobicContact CG-CE3 4.38Å; Y70-W91 AromaticContact CG-CG 3.52Å; Y70-W91 HydrophobicContact CG-CG 3.52Å; Y70-K94 PolarHBondContact OH-NZ 2.72Å
71Y90.1Very high90.6Very high83 Ų8370.9 Ų70.933%0.32538%0.377SS..Hα-helixtrans-60.4-42.7-179.7-178.6-114.1000113.3L67 I73 E74 I75L67-Y71 HydrophobicContact CD1-CG 4.32Å; L67-Y71 WeakPolarHBondContact O-CB 3.29Å; L67-Y71 PolarHBondContact O-N 2.77Å; Y71-I73 PolarHBondContact O-N 3.4Å; Y71-E74 WeakPolarHBondContact O-CB 3.18Å; Y71-E74 PolarHBondContact O-N 3.42Å; Y71-E74 VanDerWaalsContact O-N 3.15Å; Y71-I75 HydrophobicContact CD2-CG2 4.15Å; Y71-I75 HydrophobicContact CE1-CD1 4.28Å; Y71-I75 HydrophobicContact CE1-CG2 4.39Å; Y71-I75 HydrophobicContact CE2-CG2 3.6Å; Y71-I75 WeakPolarHBondContact O-CG1 3.41Å; Y71-I75 PolarHBondContact O-N 3.43Å; Y71-I75 VanDerWaalsContact O-N 3.1Å
72P91Very high90.3Very high68 Ų6875.2 Ų75.244%0.44239%0.389SS..Hα-helixtrans-57.3-33.1173.8-25.936.3000113.4N68 D76N68-P72 WeakPolarHBondContact O-CD 3.49Å; N68-P72 WeakPolarHBondContact O-CG 3.48Å; P72-D76 WeakPolarHBondContact O-CB 3.35Å; P72-D76 PolarHBondContact O-N 3.34Å
73I92.6Very high90.1Very high31 Ų3176.5 Ų76.516%0.15940%0.395CS..Hα-helixtrans-74.3-43.1177.6-57.4170.1000110.4Y70 Y71 I75 D76 K84 L87Y70-I73 HydrophobicContact CD1-CD1 4.48Å; Y70-I73 WeakPolarHBondContact O-CA 3.43Å; Y70-I73 WeakPolarHBondContact O-CB 3.31Å; Y70-I73 PolarHBondContact O-N 3.31Å; Y71-I73 PolarHBondContact O-N 3.4Å; I73-I75 VanDerWaalsContact C-N 3.26Å; I73-I75 PolarHBondContact O-N 2.94Å; I73-D76 WeakPolarHBondContact O-CB 3.33Å; I73-D76 PolarHBondContact O-N 3.49Å; I73-K84 HydrophobicContact CG2-CG 4.48Å; I73-K84 VanDerWaalsContact O-CE 3.29Å; I73-K84 WeakPolarHBondContact O-CE 3.4Å; I73-L87 HydrophobicContact CD1-CD1 4.41Å; I73-L87 HydrophobicContact CG2-CD1 3.69Å
74E87.6Confident89.9Confident26 Ų2676.3 Ų76.312%0.12139%0.393CS..Hα-helixtrans-52.8-48.3175.9-173.6-174.290.100110Y70 Y71 D76 K84 M88 W91 I188 Y189Y70-E74 PolarHBondContact O-N 3.18Å; Y71-E74 WeakPolarHBondContact O-CB 3.18Å; Y71-E74 PolarHBondContact O-N 3.42Å; Y71-E74 VanDerWaalsContact O-N 3.15Å; E74-D76 PolarHBondContact O-N 2.9Å; E74-K84 PolarHBondContact O-NZ 3.32Å; E74-M88 HydrophobicContact CB-CE 4.17Å; E74-M88 HydrophobicContact CB-SD 3.71Å; E74-M88 HydrophobicContact CG-SD 3.82Å; E74-W91 HydrophobicContact CB-CZ3 4.49Å; E74-W91 WeakPolarHBondContact OE2-CZ3 3.5Å; E74-I188 HydrophobicContact CG-CG2 4.05Å; E74-Y189 HydrophobicContact CG-CE2 4.08Å; E74-Y189 PolarHBondContact O-OH 3.48Å
75I83.4Confident89.8Confident51 Ų5172.9 Ų72.926%0.26238%0.381SS..THydrogen-bonded Turntrans-86.5-0.5-175.367.9163.7000114.7Y71 I73 S77 K242Y71-I75 HydrophobicContact CD2-CG2 4.15Å; Y71-I75 HydrophobicContact CE1-CD1 4.28Å; Y71-I75 HydrophobicContact CE1-CG2 4.39Å; Y71-I75 HydrophobicContact CE2-CG2 3.6Å; Y71-I75 WeakPolarHBondContact O-CG1 3.41Å; Y71-I75 PolarHBondContact O-N 3.43Å; Y71-I75 VanDerWaalsContact O-N 3.1Å; I73-I75 VanDerWaalsContact C-N 3.26Å; I73-I75 PolarHBondContact O-N 2.94Å; I75-S77 PolarHBondContact O-N 3.35Å; I75-S77 VanDerWaalsContact O-N 3.13Å; I75-K242 VanDerWaalsContact CD1-NZ 3.27Å
76D83.1Confident89.7Confident45 Ų4571.8 Ų71.824%0.24138%0.379CS..  trans-68.2108.6-174.2-173.9-4.5000111.3P72 I73 E74 K78 R79 K84P72-D76 WeakPolarHBondContact O-CB 3.35Å; P72-D76 PolarHBondContact O-N 3.34Å; I73-D76 WeakPolarHBondContact O-CB 3.33Å; I73-D76 PolarHBondContact O-N 3.49Å; E74-D76 PolarHBondContact O-N 2.9Å; D76-K78 PolarHBondContact O-N 2.77Å; D76-K78 VanDerWaalsContact OD1-CB 3.3Å; D76-K78 WeakPolarHBondContact OD1-CB 3.14Å; D76-K78 PolarHBondContact OD1-N 3.31Å; D76-R79 HydrophobicContact CB-CB 4.48Å; D76-R79 HydrophobicContact CB-CG 4.36Å; D76-R79 PolarHBondContact O-N 3.17Å; D76-R79 WeakPolarHBondContact OD2-CD 3.37Å; D76-R79 WeakPolarHBondContact OD2-CG 3.34Å; D76-R79 IonicContact OD2-NE 3.01Å; D76-R79 PolarHBondContact OD2-NE 2.93Å; D76-K84 WeakPolarHBondContact O-CE 3.45Å; D76-K84 PolarHBondContact O-NZ 3.26Å
77S80.1Confident89.6Confident117 Ų11772.6 Ų72.682%0.81838%0.383SS*.THydrogen-bonded Turntrans-69.8-9.9179.958.80000114I75I75-S77 PolarHBondContact O-N 3.35Å; I75-S77 VanDerWaalsContact O-N 3.13Å
78K85.7Confident89.7Confident188 Ų18869 Ų6982%0.81736%0.364SS*.THydrogen-bonded Turntrans-87.3-14.9178.8-58.7178.1-179.31760113.3D76D76-K78 PolarHBondContact O-N 2.77Å; D76-K78 VanDerWaalsContact OD1-CB 3.3Å; D76-K78 WeakPolarHBondContact OD1-CB 3.14Å; D76-K78 PolarHBondContact OD1-N 3.31Å
79R88Confident89.7Confident101 Ų10167.1 Ų67.138%0.38136%0.356SS..SBendtrans-99.6142.5178.6-70.4173.4-178.2-117.50.6111.1D76 E83 K84D76-R79 HydrophobicContact CB-CB 4.48Å; D76-R79 HydrophobicContact CB-CG 4.36Å; D76-R79 PolarHBondContact O-N 3.17Å; D76-R79 WeakPolarHBondContact OD2-CD 3.37Å; D76-R79 WeakPolarHBondContact OD2-CG 3.34Å; D76-R79 IonicContact OD2-NE 3.01Å; D76-R79 PolarHBondContact OD2-NE 2.93Å; R79-E83 VanDerWaalsContact CA-OE2 3.25Å; R79-E83 WeakPolarHBondContact CA-OE2 3.45Å; R79-K84 HydrophobicContact CB-CD 4.37Å; R79-K84 HydrophobicContact CB-CG 3.97Å; R79-K84 WeakPolarHBondContact O-CE 3.37Å
80T88.4Confident89.7Confident66 Ų6667 Ų6741%0.40535%0.35SS..  trans-75.5166.3175.384.20000111.3E82 E83 K84T80-E82 VanDerWaalsContact C-N 3.27Å; T80-E82 WeakPolarHBondContact CB-OE2 3.33Å; T80-E82 PolarHBondContact O-N 3.4Å; T80-E82 PolarHBondContact OG1-N 3.5Å; T80-E82 PolarHBondContact OG1-OE2 3.01Å; T80-E83 PolarHBondContact N-OE2 2.96Å; T80-E83 PolarHBondContact O-N 3Å; T80-E83 PolarHBondContact OG1-N 3.29Å; T80-K84 VanDerWaalsContact O-CG 3.32Å; T80-K84 WeakPolarHBondContact O-CG 3.46Å; T80-K84 PolarHBondContact O-N 2.64Å
81A85.2Confident89.7Confident47 Ų4767.1 Ų67.139%0.38835%0.35SS..Hα-helixtrans-63.3-38.1176.300000111.2E83 K84 L85 Y189A81-E83 VanDerWaalsContact C-N 3.34Å; A81-E83 PolarHBondContact O-N 3.04Å; A81-K84 PolarHBondContact O-N 3.49Å; A81-L85 WeakPolarHBondContact O-CB 3.43Å; A81-L85 PolarHBondContact O-N 2.97Å; A81-Y189 HydrophobicContact CB-CD1 4.27Å
82E88Confident89.9Confident142 Ų14264.9 Ų64.966%0.66434%0.341SS*.Hα-helixtrans-63.3-38.7179.1-58.375.1-162.700111.9T80 K84 P86T80-E82 VanDerWaalsContact C-N 3.27Å; T80-E82 WeakPolarHBondContact CB-OE2 3.33Å; T80-E82 PolarHBondContact O-N 3.4Å; T80-E82 PolarHBondContact OG1-N 3.5Å; T80-E82 PolarHBondContact OG1-OE2 3.01Å; E82-K84 VanDerWaalsContact C-N 3.34Å; E82-P86 VanDerWaalsContact O-CD 3.25Å; E82-P86 WeakPolarHBondContact O-CD 3.5Å
83E91.8Very high90Very high102 Ų10265 Ų6548%0.47734%0.341SS..Hα-helixtrans-70.2-31.4176.3-66.5175.7140.800112.6R79 T80 A81R79-E83 VanDerWaalsContact CA-OE2 3.25Å; R79-E83 WeakPolarHBondContact CA-OE2 3.45Å; T80-E83 PolarHBondContact N-OE2 2.96Å; T80-E83 PolarHBondContact O-N 3Å; T80-E83 PolarHBondContact OG1-N 3.29Å; A81-E83 VanDerWaalsContact C-N 3.34Å; A81-E83 PolarHBondContact O-N 3.04Å
84K91.4Very high90.2Very high14 Ų1467.4 Ų67.46%0.06135%0.35CS..Hα-helixtrans-83.1-31.1-178.6-67.8175.3-174.1-175.90113I73 E74 D76 R79 T80 A81 E82 L87 M88 Y189I73-K84 HydrophobicContact CG2-CG 4.48Å; I73-K84 VanDerWaalsContact O-CE 3.29Å; I73-K84 WeakPolarHBondContact O-CE 3.4Å; E74-K84 PolarHBondContact O-NZ 3.32Å; D76-K84 WeakPolarHBondContact O-CE 3.45Å; D76-K84 PolarHBondContact O-NZ 3.26Å; R79-K84 HydrophobicContact CB-CD 4.37Å; R79-K84 HydrophobicContact CB-CG 3.97Å; R79-K84 WeakPolarHBondContact O-CE 3.37Å; T80-K84 VanDerWaalsContact O-CG 3.32Å; T80-K84 WeakPolarHBondContact O-CG 3.46Å; T80-K84 PolarHBondContact O-N 2.64Å; A81-K84 PolarHBondContact O-N 3.49Å; E82-K84 VanDerWaalsContact C-N 3.34Å; K84-L87 WeakPolarHBondContact O-CB 3.4Å; K84-L87 PolarHBondContact O-N 3.35Å; K84-M88 PolarHBondContact O-N 2.94Å; K84-Y189 HydrophobicContact CB-CD2 4.07Å; K84-Y189 HydrophobicContact CB-CE2 3.81Å; K84-Y189 HydrophobicContact CD-CE1 4.41Å; K84-Y189 HydrophobicContact CD-CE2 3.74Å; K84-Y189 WeakPolarHBondContact CD-OH 3.19Å; K84-Y189 HydrophobicContact CG-CE2 4.45Å; K84-Y189 PolarHBondContact NZ-OH 2.98Å
85L90.1Very high90.6Very high61 Ų6166.4 Ų66.432%0.31935%0.346SS..Hα-helixtrans-50.2-55.8-175.3-170.4156.6000113.3A81 L87 M88 V89A81-L85 WeakPolarHBondContact O-CB 3.43Å; A81-L85 PolarHBondContact O-N 2.97Å; L85-L87 PolarHBondContact O-N 3.42Å; L85-M88 PolarHBondContact O-N 2.92Å; L85-M88 VanDerWaalsContact O-N 3.16Å; L85-V89 HydrophobicContact CD2-CG2 4.18Å; L85-V89 WeakPolarHBondContact O-CG2 3.23Å; L85-V89 PolarHBondContact O-N 3.12Å
86P94Very high91.1Very high75 Ų7564.8 Ų64.849%0.48734%0.338SS..Hα-helixtrans-63.1-28.8-178.925.2-34.7000112.9E82 E90E82-P86 VanDerWaalsContact O-CD 3.25Å; E82-P86 WeakPolarHBondContact O-CD 3.5Å; P86-E90 PolarHBondContact O-N 2.79Å
87L95.3Very high91.7Very high42 Ų4266 Ų6622%0.2235%0.347CS..Hα-helixtrans-75.1-34.7178.8-58.8172.4000111.8Y70 I73 K84 L85 E90 W91Y70-L87 HydrophobicContact CD1-CB 4.42Å; Y70-L87 WeakPolarHBondContact CD1-O 3.48Å; Y70-L87 HydrophobicContact CE1-CB 4.42Å; Y70-L87 WeakPolarHBondContact CE1-O 3.36Å; I73-L87 HydrophobicContact CD1-CD1 4.41Å; I73-L87 HydrophobicContact CG2-CD1 3.69Å; K84-L87 WeakPolarHBondContact O-CB 3.4Å; K84-L87 PolarHBondContact O-N 3.35Å; L85-L87 PolarHBondContact O-N 3.42Å; L87-E90 PolarHBondContact O-N 2.73Å; L87-W91 WeakPolarHBondContact O-CB 3.25Å; L87-W91 PolarHBondContact O-N 2.9Å
88M94.3Very high92.5Very high0 Ų061.5 Ų61.50%031%0.314CS..Hα-helixtrans-70.6-37.4173.1-64.4-53.490.100111.6Y70 E74 K84 L85 E90 W91 W92 Y189Y70-M88 HydrophobicContact CD1-CE 4.3Å; E74-M88 HydrophobicContact CB-CE 4.17Å; E74-M88 HydrophobicContact CB-SD 3.71Å; E74-M88 HydrophobicContact CG-SD 3.82Å; K84-M88 PolarHBondContact O-N 2.94Å; L85-M88 PolarHBondContact O-N 2.92Å; L85-M88 VanDerWaalsContact O-N 3.16Å; M88-E90 VanDerWaalsContact C-N 3.34Å; M88-W91 HydrophobicContact CE-CE3 4.03Å; M88-W91 PolarHBondContact O-N 3.06Å; M88-W91 HydrophobicContact SD-CE3 3.74Å; M88-W91 HydrophobicContact SD-CZ3 4.13Å; M88-W92 VanDerWaalsContact O-CD1 3.25Å; M88-W92 PolarHBondContact O-N 2.96Å; M88-Y189 HydrophobicContact CG-CD2 3.61Å; M88-Y189 HydrophobicContact CG-CE2 3.88Å; M88-Y189 HydrophobicContact SD-CE2 4.43Å
89V93.2Very high93Very high56 Ų5652.6 Ų52.634%0.33928%0.275SS..Hα-helixtrans-59.6-47.5171.7173.30000110.2L85 W91 T93L85-V89 HydrophobicContact CD2-CG2 4.18Å; L85-V89 WeakPolarHBondContact O-CG2 3.23Å; L85-V89 PolarHBondContact O-N 3.12Å; V89-W91 PolarHBondContact O-N 2.78Å; V89-T93 WeakPolarHBondContact O-CB 3.45Å; V89-T93 PolarHBondContact O-N 3.3Å; V89-T93 PolarHBondContact O-OG1 3.16Å
90E95.9Very high93.4Very high79 Ų7949.6 Ų49.637%0.36927%0.267SS..Hα-helixtrans-60-47.2177.3-168-169.7179.900111.9Y70 P86 L87 M88 T93 K94Y70-E90 HydrophobicContact CE1-CB 4.42Å; Y70-E90 WeakPolarHBondContact OH-CG 3.39Å; Y70-E90 PolarHBondContact OH-OE1 3.35Å; Y70-E90 VanDerWaalsContact OH-OE1 3.1Å; Y70-E90 PolarHBondContact OH-OE2 3.05Å; P86-E90 PolarHBondContact O-N 2.79Å; L87-E90 PolarHBondContact O-N 2.73Å; M88-E90 VanDerWaalsContact C-N 3.34Å; E90-T93 PolarHBondContact O-N 3.23Å; E90-K94 HydrophobicContact CG-CD 4.34Å; E90-K94 WeakPolarHBondContact O-CG 3.44Å; E90-K94 PolarHBondContact O-N 3.07Å; E90-K94 VanDerWaalsContact OE1-CE 3.24Å; E90-K94 WeakPolarHBondContact OE1-CE 3.26Å; E90-K94 IonicContact OE1-NZ 3.61Å; E90-K94 PolarHBondContact OE1-NZ 2.89Å
91W95.4Very high93.8Very high16 Ų1652.1 Ų52.16%0.06128%0.275CS..Hα-helixtrans-56.8-57.2179.6-178.312.7000112L67 Y70 E74 L87 M88 V89 T93 K94 A95L67-W91 HydrophobicContact CB-CZ2 4.34Å; L67-W91 HydrophobicContact CD1-CH2 3.83Å; L67-W91 HydrophobicContact CD1-CZ2 3.61Å; Y70-W91 VanDerWaalsContact CB-CE3 3.42Å; Y70-W91 VanDerWaalsContact CB-CG 3.47Å; Y70-W91 HydrophobicContact CD1-CB 3.73Å; Y70-W91 HydrophobicContact CD1-CG 4.3Å; Y70-W91 HydrophobicContact CD2-CB 3.61Å; Y70-W91 AromaticContact CD2-CD1 3.58Å; Y70-W91 HydrophobicContact CD2-CD2 4.24Å; Y70-W91 AromaticContact CD2-CG 3.51Å; Y70-W91 HydrophobicContact CD2-CG 3.51Å; Y70-W91 HydrophobicContact CE1-CB 4.15Å; Y70-W91 HydrophobicContact CE2-CB 4.07Å; Y70-W91 HydrophobicContact CE2-CG 4.32Å; Y70-W91 HydrophobicContact CG-CB 3.44Å; Y70-W91 VanDerWaalsContact CG-CB 3.44Å; Y70-W91 AromaticContact CG-CD2 3.95Å; Y70-W91 HydrophobicContact CG-CD2 3.95Å; Y70-W91 HydrophobicContact CG-CE3 4.38Å; Y70-W91 AromaticContact CG-CG 3.52Å; Y70-W91 HydrophobicContact CG-CG 3.52Å; E74-W91 HydrophobicContact CB-CZ3 4.49Å; E74-W91 WeakPolarHBondContact OE2-CZ3 3.5Å; L87-W91 WeakPolarHBondContact O-CB 3.25Å; L87-W91 PolarHBondContact O-N 2.9Å; M88-W91 HydrophobicContact CE-CE3 4.03Å; M88-W91 PolarHBondContact O-N 3.06Å; M88-W91 HydrophobicContact SD-CE3 3.74Å; M88-W91 HydrophobicContact SD-CZ3 4.13Å; V89-W91 PolarHBondContact O-N 2.78Å; W91-T93 VanDerWaalsContact C-N 3.31Å; W91-T93 PolarHBondContact O-N 3.27Å; W91-K94 PolarHBondContact O-N 3.1Å; W91-A95 PolarHBondContact O-N 2.84Å
92W93.5Very high94.4Very high35 Ų3552 Ų5213%0.13327%0.266CS..Hα-helixtrans-69.3-31.5-175.2-74.1112.6000112H46 M88 A95 H96 L185H46-W92 AromaticContact CD2-CZ3 3.5Å; H46-W92 VanDerWaalsContact CD2-CZ3 3.5Å; H46-W92 WeakPolarHBondContact CD2-CZ3 3.4Å; H46-W92 AromaticContact CE1-CH2 3.74Å; H46-W92 AromaticContact CE1-CZ3 3.43Å; H46-W92 VanDerWaalsContact CE1-CZ3 3.43Å; H46-W92 WeakPolarHBondContact CE1-CZ3 3.21Å; H46-W92 AromaticContact CG-CH2 3.96Å; H46-W92 AromaticContact CG-CZ3 3.79Å; H46-W92 AromaticContact ND1-CH2 3.71Å; H46-W92 AromaticContact ND1-CZ3 3.76Å; H46-W92 AromaticContact NE2-CE3 3.83Å; H46-W92 AromaticContact NE2-CZ3 3.27Å; H46-W92 VanDerWaalsContact NE2-CZ3 3.27Å; H46-W92 WeakPolarHBondContact NE2-CZ3 3.19Å; M88-W92 VanDerWaalsContact O-CD1 3.25Å; M88-W92 PolarHBondContact O-N 2.96Å; W92-A95 HydrophobicContact CE3-CB 4.23Å; W92-A95 PolarHBondContact O-N 3.25Å; W92-H96 VanDerWaalsContact O-CB 3.31Å; W92-H96 WeakPolarHBondContact O-CB 3.4Å; W92-H96 VanDerWaalsContact O-CG 3.22Å; W92-H96 PolarHBondContact O-N 3.21Å; W92-L185 HydrophobicContact CB-CD1 3.72Å; W92-L185 HydrophobicContact CB-CD2 3.68Å; W92-L185 HydrophobicContact CB-CG 4.3Å; W92-L185 HydrophobicContact CG-CD1 4.38Å
93T93.8Very high94.8Very high71 Ų7153.3 Ų53.344%0.43627%0.265SS..Hα-helixtrans-61.7-45.9171.7-59.30000111.4V89 E90 W91 T97V89-T93 WeakPolarHBondContact O-CB 3.45Å; V89-T93 PolarHBondContact O-N 3.3Å; V89-T93 PolarHBondContact O-OG1 3.16Å; E90-T93 PolarHBondContact O-N 3.23Å; W91-T93 VanDerWaalsContact C-N 3.31Å; W91-T93 PolarHBondContact O-N 3.27Å; T93-T97 WeakPolarHBondContact O-CB 3.12Å; T93-T97 PolarHBondContact O-N 3.45Å; T93-T97 PolarHBondContact O-OG1 3.03Å
94K96.3Very high95.1Very high82 Ų8248.6 Ų48.636%0.35724%0.243SC..Hα-helixtrans-63.5-46175.6-72.6176.2-177.7171.10111.4L66 Y70 E90 W91 T97 L98L66-K94 HydrophobicContact CD1-CB 3.77Å; L66-K94 HydrophobicContact CD2-CB 3.98Å; L66-K94 HydrophobicContact CD2-CD 3.77Å; Y70-K94 PolarHBondContact OH-NZ 2.72Å; E90-K94 HydrophobicContact CG-CD 4.34Å; E90-K94 WeakPolarHBondContact O-CG 3.44Å; E90-K94 PolarHBondContact O-N 3.07Å; E90-K94 VanDerWaalsContact OE1-CE 3.24Å; E90-K94 WeakPolarHBondContact OE1-CE 3.26Å; E90-K94 IonicContact OE1-NZ 3.61Å; E90-K94 PolarHBondContact OE1-NZ 2.89Å; W91-K94 PolarHBondContact O-N 3.1Å; K94-T97 WeakPolarHBondContact O-CB 3.45Å; K94-T97 PolarHBondContact O-N 2.91Å; K94-L98 WeakPolarHBondContact O-CG 3.47Å; K94-L98 PolarHBondContact O-N 3.24Å
95A95Very high95.3Very high5 Ų553.1 Ų53.14%0.04126%0.26CS..Hα-helixtrans-60.1-49.217900000111.7L63 L66 W91 W92 T97 L98 L99L63-A95 HydrophobicContact CD2-CB 3.93Å; L66-A95 HydrophobicContact CD1-CB 4.24Å; W91-A95 PolarHBondContact O-N 2.84Å; W92-A95 HydrophobicContact CE3-CB 4.23Å; W92-A95 PolarHBondContact O-N 3.25Å; A95-T97 VanDerWaalsContact C-N 3.3Å; A95-T97 PolarHBondContact O-N 3.38Å; A95-L98 WeakPolarHBondContact O-CB 3.21Å; A95-L98 PolarHBondContact O-N 3.42Å; A95-L98 VanDerWaalsContact O-N 3.16Å; A95-L99 WeakPolarHBondContact O-CG 3.47Å; A95-L99 PolarHBondContact O-N 2.94Å
96H94.7Very high95.6Very high17 Ų1755.5 Ų55.58%0.07927%0.267CS..Hα-helixtrans-62.3-36.2177.2-70.8178000112.5H46 W92 L98 L99 V100 F181 L185H46-H96 AromaticContact NE2-NE2 3.59Å; W92-H96 VanDerWaalsContact O-CB 3.31Å; W92-H96 WeakPolarHBondContact O-CB 3.4Å; W92-H96 VanDerWaalsContact O-CG 3.22Å; W92-H96 PolarHBondContact O-N 3.21Å; H96-L98 VanDerWaalsContact C-N 3.35Å; H96-L98 PolarHBondContact O-N 2.87Å; H96-L99 PolarHBondContact O-N 2.89Å; H96-V100 WeakPolarHBondContact O-CG2 3.44Å; H96-V100 PolarHBondContact O-N 3.24Å; H96-F181 HydrophobicContact CB-CD2 3.63Å; H96-F181 HydrophobicContact CB-CE2 3.6Å; H96-F181 HydrophobicContact CB-CG 4.48Å; H96-F181 HydrophobicContact CB-CZ 4.43Å; H96-F181 AromaticContact CD2-CE2 3.81Å; H96-F181 AromaticContact CD2-CZ 3.76Å; H96-F181 AromaticContact CE1-CD1 3.98Å; H96-F181 AromaticContact CG-CD2 3.61Å; H96-F181 AromaticContact CG-CE2 3.54Å; H96-F181 AromaticContact CG-CZ 3.95Å; H96-F181 AromaticContact ND1-CD2 3.72Å; H96-F181 AromaticContact ND1-CG 3.7Å; H96-L185 VanDerWaalsContact CE1-CD1 3.5Å; H96-L185 WeakPolarHBondContact CE1-CD1 3.32Å
97T96.3Very high95.7Very high71 Ų7156.1 Ų56.144%0.43627%0.266SS..Hα-helixtrans-61.7-43.6175-59.50000111.4T93 K94 A95 V100 Q101T93-T97 WeakPolarHBondContact O-CB 3.12Å; T93-T97 PolarHBondContact O-N 3.45Å; T93-T97 PolarHBondContact O-OG1 3.03Å; K94-T97 WeakPolarHBondContact O-CB 3.45Å; K94-T97 PolarHBondContact O-N 2.91Å; A95-T97 VanDerWaalsContact C-N 3.3Å; A95-T97 PolarHBondContact O-N 3.38Å; T97-V100 PolarHBondContact O-N 3.31Å; T97-Q101 WeakPolarHBondContact O-CG 3.35Å; T97-Q101 PolarHBondContact O-N 3.02Å
98L96.6Very high95.8Very high22 Ų2256.2 Ų56.212%0.11527%0.267CS..Hα-helixtrans-62.7-42.2175.7-67.9174.2000111.7Q62 L63 L66 K94 A95 H96 V100 Q101 Q102Q62-L98 HydrophobicContact CB-CD1 3.71Å; Q62-L98 HydrophobicContact CB-CD2 4.36Å; L63-L98 HydrophobicContact CD2-CB 4.29Å; L63-L98 HydrophobicContact CD2-CD1 3.94Å; L63-L98 HydrophobicContact CG-CD1 4.19Å; L66-L98 HydrophobicContact CD1-CD1 3.7Å; K94-L98 WeakPolarHBondContact O-CG 3.47Å; K94-L98 PolarHBondContact O-N 3.24Å; A95-L98 WeakPolarHBondContact O-CB 3.21Å; A95-L98 PolarHBondContact O-N 3.42Å; A95-L98 VanDerWaalsContact O-N 3.16Å; H96-L98 VanDerWaalsContact C-N 3.35Å; H96-L98 PolarHBondContact O-N 2.87Å; L98-V100 PolarHBondContact O-N 3.49Å; L98-Q101 WeakPolarHBondContact O-CB 3.46Å; L98-Q101 PolarHBondContact O-N 3.13Å; L98-Q102 PolarHBondContact O-N 3.16Å
99L95.9Very high95.9Very high1 Ų156.6 Ų56.61%0.00527%0.269CS..Hα-helixtrans-62.6-42.3177.1-65.9178.8000112.2L49 I55 L63 A95 H96 Q101 Q102 I104 L178 F181L49-L99 HydrophobicContact CD2-CD1 4.12Å; L49-L99 HydrophobicContact CD2-CD2 4.09Å; I55-L99 HydrophobicContact CD1-CD2 3.79Å; L63-L99 HydrophobicContact CD1-CD2 4.15Å; A95-L99 WeakPolarHBondContact O-CG 3.47Å; A95-L99 PolarHBondContact O-N 2.94Å; H96-L99 PolarHBondContact O-N 2.89Å; L99-Q101 VanDerWaalsContact C-N 3.27Å; L99-Q101 PolarHBondContact O-N 3.24Å; L99-Q102 WeakPolarHBondContact O-CB 3.27Å; L99-Q102 PolarHBondContact O-N 3.15Å; L99-Q102 VanDerWaalsContact O-N 3.08Å; L99-I104 HydrophobicContact CB-CD1 4.25Å; L99-I104 HydrophobicContact CD2-CD1 4.38Å; L99-L178 HydrophobicContact CB-CD2 4.27Å; L99-F181 HydrophobicContact CD1-CZ 4.21Å
100V96.8Very high96.1Very high37 Ų3759.2 Ų59.222%0.22428%0.277CS..Hα-helixtrans-59-39.9175.2169.60000111.1H96 T97 L98 Q102 R103 L178 K179H96-V100 WeakPolarHBondContact O-CG2 3.44Å; H96-V100 PolarHBondContact O-N 3.24Å; T97-V100 PolarHBondContact O-N 3.31Å; L98-V100 PolarHBondContact O-N 3.49Å; V100-Q102 PolarHBondContact O-N 3.49Å; V100-R103 PolarHBondContact O-N 3.31Å; V100-R103 VanDerWaalsContact O-N 3.11Å; V100-L178 HydrophobicContact CG2-CD2 4.25Å; V100-L178 HydrophobicContact CG2-CG 4.08Å; V100-K179 WeakPolarHBondContact CG1-O 3.18Å
101Q96.8Very high96.2Very high119 Ų11959.3 Ų59.356%0.55628%0.281SS*.Hα-helixtrans-64.2-21.7178.2-68.7169.5-2.200113.4T97 L98 L99 R103T97-Q101 WeakPolarHBondContact O-CG 3.35Å; T97-Q101 PolarHBondContact O-N 3.02Å; L98-Q101 WeakPolarHBondContact O-CB 3.46Å; L98-Q101 PolarHBondContact O-N 3.13Å; L99-Q101 VanDerWaalsContact C-N 3.27Å; L99-Q101 PolarHBondContact O-N 3.24Å; Q101-R103 PolarHBondContact O-N 3.4Å
102Q97.4Very high96.2Very high44 Ų4459.1 Ų59.121%0.20628%0.281CS..THydrogen-bonded Turntrans-75.4-6.4176.7-56.8-51.9-76.400113.5I55 S56 C59 L98 L99 V100 I104I55-Q102 HydrophobicContact CD1-CB 4.1Å; I55-Q102 HydrophobicContact CD1-CG 3.81Å; I55-Q102 HydrophobicContact CG2-CG 4.36Å; S56-Q102 PolarHBondContact OG-OE1 3.44Å; C59-Q102 VanDerWaalsContact CB-CD 3.43Å; C59-Q102 HydrophobicContact CB-CG 4.2Å; L98-Q102 PolarHBondContact O-N 3.16Å; L99-Q102 WeakPolarHBondContact O-CB 3.27Å; L99-Q102 PolarHBondContact O-N 3.15Å; L99-Q102 VanDerWaalsContact O-N 3.08Å; V100-Q102 PolarHBondContact O-N 3.49Å; Q102-I104 VanDerWaalsContact C-N 3.28Å; Q102-I104 HydrophobicContact CB-CD1 4.41Å; Q102-I104 HydrophobicContact CB-CG1 3.89Å; Q102-I104 PolarHBondContact O-N 3.47Å
103R96.3Very high96.4Very high171 Ų17157.9 Ų57.965%0.64528%0.278SS*.THydrogen-bonded Turntrans52.444.9179.4-57.8-174.266.2111.97.4113V100 Q101 R105 V177V100-R103 PolarHBondContact O-N 3.31Å; V100-R103 VanDerWaalsContact O-N 3.11Å; Q101-R103 PolarHBondContact O-N 3.4Å; R103-R105 PolarHBondContact O-N 3.49Å; R103-V177 HydrophobicContact CB-CG1 3.75Å; R103-V177 HydrophobicContact CG-CG1 4.38Å
104I97.1Very high96.6Very high3 Ų361.9 Ų61.92%0.01529%0.289CS..  trans-59.4126.3-176.7-55178000109.6L49 L54 I55 L99 Q102 L109 L178L49-I104 HydrophobicContact CD1-CD1 4.15Å; L49-I104 HydrophobicContact CD1-CG2 4.32Å; L49-I104 HydrophobicContact CD2-CD1 3.78Å; L49-I104 HydrophobicContact CG-CD1 4.22Å; L54-I104 HydrophobicContact CD1-CG2 3.88Å; I55-I104 HydrophobicContact CD1-CD1 3.65Å; I55-I104 HydrophobicContact CD1-CG1 4.24Å; L99-I104 HydrophobicContact CB-CD1 4.25Å; L99-I104 HydrophobicContact CD2-CD1 4.38Å; Q102-I104 VanDerWaalsContact C-N 3.28Å; Q102-I104 HydrophobicContact CB-CD1 4.41Å; Q102-I104 HydrophobicContact CB-CG1 3.89Å; Q102-I104 PolarHBondContact O-N 3.47Å; I104-L109 HydrophobicContact CG2-CD2 4.15Å; I104-L178 HydrophobicContact CB-CB 4.02Å; I104-L178 HydrophobicContact CB-CD2 4.21Å; I104-L178 HydrophobicContact CD1-CD2 3.88Å; I104-L178 HydrophobicContact CG1-CD2 4.25Å; I104-L178 WeakPolarHBondContact O-CB 3.35Å; I104-L178 PolarHBondContact O-N 3.38Å
105R97.3Very high96.6Very high109 Ų10964.1 Ų64.141%0.41130%0.301SS..BIsolated β-bridgetrans-89.3135.4176.9-53.9-165.4-60.91299.1111R103 D107 L108 G176 V177R103-R105 PolarHBondContact O-N 3.49Å; R105-D107 VanDerWaalsContact C-N 3.32Å; R105-D107 WeakPolarHBondContact CB-OD1 3.33Å; R105-D107 IonicContact CZ-OD1 3.44Å; R105-D107 VanDerWaalsContact CZ-OD1 3.31Å; R105-D107 IonicContact CZ-OD2 3.65Å; R105-D107 IonicContact NE-OD1 3.85Å; R105-D107 IonicContact NH1-OD1 3.18Å; R105-D107 PolarHBondContact NH1-OD1 3.33Å; R105-D107 IonicContact NH1-OD2 3.28Å; R105-D107 PolarHBondContact NH1-OD2 3.24Å; R105-D107 IonicContact NH2-OD1 2.72Å; R105-D107 IonicContact NH2-OD2 3.77Å; R105-D107 PolarHBondContact NH2-OD2 2.8Å; R105-D107 PolarHBondContact O-N 3.47Å; R105-L108 HydrophobicContact CB-CD1 4.17Å; R105-L108 HydrophobicContact CB-CG 4.25Å; R105-L108 PolarHBondContact O-N 2.99Å; R105-G176 WeakPolarHBondContact CA-O 3.38Å; R105-V177 HydrophobicContact CG-CG2 4.31Å
106K96.8Very high96.7Very high111 Ų11165.3 Ų65.348%0.48331%0.309SS..G310 helixtrans-60.3-40-177.7-171.4175.8-177.2172.70113.2L108 L109 F172 G176K106-L108 PolarHBondContact O-N 2.79Å; K106-L109 WeakPolarHBondContact O-CB 3.24Å; K106-L109 PolarHBondContact O-N 2.82Å; K106-L109 VanDerWaalsContact O-N 3.16Å; K106-F172 HydrophobicContact CB-CD1 3.71Å; K106-F172 HydrophobicContact CB-CD2 4.21Å; K106-F172 HydrophobicContact CB-CE1 3.59Å; K106-F172 HydrophobicContact CB-CE2 4.07Å; K106-F172 HydrophobicContact CB-CG 4.03Å; K106-F172 HydrophobicContact CB-CZ 3.78Å; K106-F172 HydrophobicContact CD-CD2 3.73Å; K106-F172 HydrophobicContact CD-CE2 3.78Å; K106-F172 HydrophobicContact CD-CG 4.2Å; K106-F172 HydrophobicContact CD-CZ 4.33Å; K106-F172 HydrophobicContact CG-CD1 4.44Å; K106-F172 HydrophobicContact CG-CD2 4.1Å; K106-F172 HydrophobicContact CG-CE1 4.17Å; K106-F172 HydrophobicContact CG-CE2 3.76Å; K106-F172 HydrophobicContact CG-CG 4.42Å; K106-F172 HydrophobicContact CG-CZ 3.81Å; K106-G176 PolarHBondContact N-O 3.28Å
107D95.9Very high96.8Very high87 Ų8769 Ų6947%0.46533%0.329SS..G310 helixtrans-62.5-24-178.462.7-30.2000112.9R105R105-D107 VanDerWaalsContact C-N 3.32Å; R105-D107 WeakPolarHBondContact CB-OD1 3.33Å; R105-D107 IonicContact CZ-OD1 3.44Å; R105-D107 VanDerWaalsContact CZ-OD1 3.31Å; R105-D107 IonicContact CZ-OD2 3.65Å; R105-D107 IonicContact NE-OD1 3.85Å; R105-D107 IonicContact NH1-OD1 3.18Å; R105-D107 PolarHBondContact NH1-OD1 3.33Å; R105-D107 IonicContact NH1-OD2 3.28Å; R105-D107 PolarHBondContact NH1-OD2 3.24Å; R105-D107 IonicContact NH2-OD1 2.72Å; R105-D107 IonicContact NH2-OD2 3.77Å; R105-D107 PolarHBondContact NH2-OD2 2.8Å; R105-D107 PolarHBondContact O-N 3.47Å
108L97.1Very high96.8Very high44 Ų4467 Ų6723%0.2332%0.32CS..G310 helixtrans-84.1-11179.2-62.4179000113.8L54 R105 K106 Q110 D111 V112L54-L108 HydrophobicContact CD1-CB 3.79Å; L54-L108 HydrophobicContact CD2-CB 4.05Å; L54-L108 HydrophobicContact CD2-CD1 3.52Å; L54-L108 HydrophobicContact CD2-CG 4.4Å; R105-L108 HydrophobicContact CB-CD1 4.17Å; R105-L108 HydrophobicContact CB-CG 4.25Å; R105-L108 PolarHBondContact O-N 2.99Å; K106-L108 PolarHBondContact O-N 2.79Å; L108-Q110 VanDerWaalsContact C-N 3.26Å; L108-Q110 PolarHBondContact O-N 3.34Å; L108-D111 PolarHBondContact O-N 2.97Å; L108-V112 WeakPolarHBondContact O-CG2 3.34Å; L108-V112 PolarHBondContact O-N 2.82Å
109L96.9Very high96.9Very high8 Ų869 Ų694%0.04233%0.329CS..Hα-helixtrans-63.8-32.9-178.7-66.9-176.7000112.5L49 I104 K106 V112 V113 D147 M170 F172L49-L109 HydrophobicContact CD1-CD2 4.1Å; I104-L109 HydrophobicContact CG2-CD2 4.15Å; K106-L109 WeakPolarHBondContact O-CB 3.24Å; K106-L109 PolarHBondContact O-N 2.82Å; K106-L109 VanDerWaalsContact O-N 3.16Å; L109-V112 PolarHBondContact O-N 3.5Å; L109-V113 WeakPolarHBondContact O-CG2 3.21Å; L109-V113 PolarHBondContact O-N 2.79Å; L109-D147 HydrophobicContact CD1-CB 3.79Å; L109-M170 HydrophobicContact CD1-SD 4.28Å; L109-F172 HydrophobicContact CD1-CZ 3.97Å
110Q96.9Very high97Very high111 Ų11169.8 Ų69.852%0.51933%0.333SS..Hα-helixtrans-62.3-46.4176.9-57.1-171.93.500111.2L108 V113 K114 E151 Q155L108-Q110 VanDerWaalsContact C-N 3.26Å; L108-Q110 PolarHBondContact O-N 3.34Å; Q110-V113 PolarHBondContact O-N 2.92Å; Q110-K114 VanDerWaalsContact O-CB 3.28Å; Q110-K114 WeakPolarHBondContact O-CB 3.28Å; Q110-K114 PolarHBondContact O-N 3.04Å; Q110-E151 HydrophobicContact CG-CG 4.38Å; Q110-E151 WeakPolarHBondContact CG-OE1 3.3Å; Q110-Q155 PolarHBondContact O-NE2 3.18Å
111D97.3Very high97.1Very high81 Ų8168 Ų6843%0.43332%0.322SS..Hα-helixtrans-66.3-40.4178.1-66.5-35.1000111.3L108 V113 K114 E115L108-D111 PolarHBondContact O-N 2.97Å; D111-V113 PolarHBondContact O-N 3.15Å; D111-K114 PolarHBondContact O-N 3.37Å; D111-E115 WeakPolarHBondContact O-CB 3.22Å; D111-E115 WeakPolarHBondContact O-CG 3.44Å; D111-E115 PolarHBondContact O-N 3.38Å
112V96.6Very high97.2Very high13 Ų1367.5 Ų67.58%0.07932%0.32CS..Hα-helixtrans-59.6-45.9176.4166.90000111.9I48 L54 L108 L109 S116I48-V112 HydrophobicContact CG2-CG1 3.75Å; L54-V112 HydrophobicContact CD1-CG2 3.42Å; L54-V112 VanDerWaalsContact CD1-CG2 3.42Å; L54-V112 HydrophobicContact CD2-CG2 4.49Å; L54-V112 HydrophobicContact CG-CG2 3.63Å; L108-V112 WeakPolarHBondContact O-CG2 3.34Å; L108-V112 PolarHBondContact O-N 2.82Å; L109-V112 PolarHBondContact O-N 3.5Å; V112-S116 WeakPolarHBondContact O-CB 3.24Å; V112-S116 PolarHBondContact O-N 2.79Å
113V97.8Very high97.3Very high9 Ų966.9 Ų66.96%0.05533%0.325CS..Hα-helixtrans-64.9-45177.1169.20000110.7I48 L109 Q110 D111 E115 S116 V148 E151 V152I48-V113 HydrophobicContact CG2-CG2 4.16Å; L109-V113 WeakPolarHBondContact O-CG2 3.21Å; L109-V113 PolarHBondContact O-N 2.79Å; Q110-V113 PolarHBondContact O-N 2.92Å; D111-V113 PolarHBondContact O-N 3.15Å; V113-E115 VanDerWaalsContact C-N 3.33Å; V113-E115 PolarHBondContact O-N 2.95Å; V113-S116 WeakPolarHBondContact O-CB 3.35Å; V113-S116 PolarHBondContact O-N 3.38Å; V113-S116 VanDerWaalsContact O-N 3.12Å; V113-S116 PolarHBondContact O-OG 2.91Å; V113-V148 HydrophobicContact CG2-CG1 3.86Å; V113-E151 HydrophobicContact CB-CG 3.96Å; V113-E151 HydrophobicContact CG1-CG 4.24Å; V113-E151 HydrophobicContact CG2-CB 4Å; V113-E151 HydrophobicContact CG2-CG 3.89Å; V113-V152 HydrophobicContact CG1-CB 4.37Å; V113-V152 HydrophobicContact CG1-CG2 3.69Å; V113-V152 HydrophobicContact CG2-CG2 4.25Å
114K97.3Very high97.4Very high155 Ų15561 Ų6167%0.67430%0.304SS*.Hα-helixtrans-63.3-36.3-178.7-174.1-176.9175.8-176.60113.3Q110 D111 S116Q110-K114 VanDerWaalsContact O-CB 3.28Å; Q110-K114 WeakPolarHBondContact O-CB 3.28Å; Q110-K114 PolarHBondContact O-N 3.04Å; D111-K114 PolarHBondContact O-N 3.37Å; K114-S116 VanDerWaalsContact C-N 3.31Å
115E96.8Very high97.5Very high129 Ų12966 Ų6660%0.60333%0.327SS*.THydrogen-bonded Turntrans-81.6-7.5177.4-70.2-174.7-178.300113.4K53 D111 V113K53-E115 IonicContact NZ-OE1 2.72Å; K53-E115 IonicContact NZ-OE2 3.88Å; K53-E115 PolarHBondContact NZ-OE2 2.85Å; D111-E115 WeakPolarHBondContact O-CB 3.22Å; D111-E115 WeakPolarHBondContact O-CG 3.44Å; D111-E115 PolarHBondContact O-N 3.38Å; V113-E115 VanDerWaalsContact C-N 3.33Å; V113-E115 PolarHBondContact O-N 2.95Å
116S96.9Very high97.5Very high30 Ų3064.6 Ų64.621%0.2133%0.327CS..SBendtrans-82.6162.4-176.179.20000113.7V112 V113 K114 A118V112-S116 WeakPolarHBondContact O-CB 3.24Å; V112-S116 PolarHBondContact O-N 2.79Å; V113-S116 WeakPolarHBondContact O-CB 3.35Å; V113-S116 PolarHBondContact O-N 3.38Å; V113-S116 VanDerWaalsContact O-N 3.12Å; V113-S116 PolarHBondContact O-OG 2.91Å; K114-S116 VanDerWaalsContact C-N 3.31Å; S116-A118 PolarHBondContact O-N 2.86Å; S116-A118 VanDerWaalsContact OG-CB 3.3Å; S116-A118 WeakPolarHBondContact OG-CB 3.36Å; S116-A118 PolarHBondContact OG-N 3.38Å
117D96.4Very high97.6Very high95 Ų9559.4 Ų59.451%0.50831%0.305SS..  trans-86.121.5171.6-68-33.3000112.5K40 P43 M119K40-D117 IonicContact NZ-OD2 3.97Å; K40-D117 PolarHBondContact NZ-OD2 2.74Å; P43-D117 WeakPolarHBondContact CD-O 3.32Å; D117-M119 PolarHBondContact O-N 3.41Å
118A96.6Very high97.8Very high28 Ų2855.3 Ų55.323%0.23128%0.283CS..  trans-63.8134.8-179.200000111P43 I48 S116 V152P43-A118 HydrophobicContact CG-CB 4.31Å; I48-A118 HydrophobicContact CD1-CB 3.5Å; I48-A118 VanDerWaalsContact CD1-CB 3.5Å; I48-A118 HydrophobicContact CG1-CB 4.04Å; S116-A118 PolarHBondContact O-N 2.86Å; S116-A118 VanDerWaalsContact OG-CB 3.3Å; S116-A118 WeakPolarHBondContact OG-CB 3.36Å; S116-A118 PolarHBondContact OG-N 3.38Å; A118-V152 HydrophobicContact CB-CG2 4.42Å
119M98.3Very high97.8Very high65 Ų6556.9 Ų56.932%0.3229%0.291SS..  trans-136.8129.6-179.6-68.3-170.1165.500110.5T33 R34 Y37 D117T33-M119 CarbonylContact C-O 3.51Å; T33-M119 VanDerWaalsContact CA-O 3.23Å; T33-M119 WeakPolarHBondContact CA-O 3.35Å; T33-M119 WeakPolarHBondContact CB-O 3.42Å; R34-M119 HydrophobicContact CB-CB 4.27Å; R34-M119 HydrophobicContact CG-CB 4.1Å; R34-M119 PolarHBondContact N-O 3.27Å; Y37-M119 HydrophobicContact CD1-CE 3.61Å; Y37-M119 HydrophobicContact CD1-SD 3.65Å; Y37-M119 HydrophobicContact CD2-SD 3.85Å; Y37-M119 HydrophobicContact CE1-CE 3.74Å; Y37-M119 HydrophobicContact CE1-SD 4.19Å; Y37-M119 HydrophobicContact CE2-SD 4.38Å; Y37-M119 HydrophobicContact CG-CE 4.08Å; Y37-M119 HydrophobicContact CG-SD 3.45Å; D117-M119 PolarHBondContact O-N 3.41Å
120L98.8Very high97.9Very high16 Ų1657.2 Ų57.28%0.08429%0.293CS..BIsolated β-bridgetrans-74.4152.2163.8-67.1172.7000110F28 L32 T33 R34 Y124 V152 A156 V158F28-L120 HydrophobicContact CE2-CD2 4.2Å; F28-L120 HydrophobicContact CZ-CD2 4.47Å; L32-L120 HydrophobicContact CB-CD2 4.45Å; L32-L120 WeakPolarHBondContact O-CA 3.44Å; T33-L120 HydrophobicContact CG2-CD2 3.95Å; R34-L120 WeakPolarHBondContact CG-O 3.46Å; R34-L120 PolarHBondContact NE-O 3.16Å; R34-L120 VanDerWaalsContact NE-O 3.12Å; L120-Y124 HydrophobicContact CB-CD1 3.49Å; L120-Y124 VanDerWaalsContact CB-CD1 3.49Å; L120-Y124 HydrophobicContact CB-CD2 4.19Å; L120-Y124 HydrophobicContact CB-CE1 4.04Å; L120-Y124 HydrophobicContact CB-CG 3.58Å; L120-Y124 HydrophobicContact CD1-CD1 4.2Å; L120-Y124 HydrophobicContact CD1-CD2 3.39Å; L120-Y124 HydrophobicContact CD1-CE1 4.38Å; L120-Y124 HydrophobicContact CD1-CE2 3.62Å; L120-Y124 HydrophobicContact CD1-CG 3.71Å; L120-Y124 HydrophobicContact CG-CD1 4.5Å; L120-Y124 HydrophobicContact CG-CD2 4.42Å; L120-Y124 HydrophobicContact CG-CG 4.28Å; L120-V152 HydrophobicContact CD2-CG1 4.47Å; L120-A156 HydrophobicContact CD1-CB 3.68Å; L120-V158 HydrophobicContact CD1-CG2 4.22Å
121R98.7Very high98Very high0 Ų052 Ų520%027%0.268CS..PPolyproline II helixtrans-57.7148.8174.9-67.1-164.3178.3-71.111.7111.1M30 T31 L32 R34 G123 Y124 F238 N240 D261 E262 T263 M264M30-R121 PolarHBondContact O-NH2 3.42Å; T31-R121 WeakPolarHBondContact O-CD 3.5Å; T31-R121 PolarHBondContact O-NE 2.79Å; L32-R121 PolarHBondContact O-N 3.38Å; R34-R121 HydrophobicContact CG-CG 4.38Å; R121-G123 PolarHBondContact O-N 3.11Å; R121-Y124 WeakPolarHBondContact O-CB 3.32Å; R121-Y124 WeakPolarHBondContact O-CD1 3.46Å; R121-Y124 PolarHBondContact O-N 2.78Å; R121-Y124 VanDerWaalsContact O-N 3.17Å; R121-F238 VanDerWaalsContact CZ-CD1 3.46Å; R121-F238 VanDerWaalsContact NH2-CD1 3.28Å; R121-N240 PolarHBondContact NH2-OD1 3.4Å; R121-D261 PolarHBondContact NH1-O 3.42Å; R121-E262 WeakPolarHBondContact CA-O 3.27Å; R121-E262 WeakPolarHBondContact CB-O 3.43Å; R121-E262 IonicContact CZ-OE2 3.33Å; R121-E262 VanDerWaalsContact NH1-CA 3.31Å; R121-E262 IonicContact NH1-OE2 3.76Å; R121-E262 PolarHBondContact NH1-OE2 3.23Å; R121-T263 WeakPolarHBondContact CD-O 3.47Å; R121-M264 HydrophobicContact CB-CE 3.95Å; R121-M264 HydrophobicContact CB-CG 3.86Å; R121-M264 HydrophobicContact CB-SD 3.96Å; R121-M264 HydrophobicContact CG-CE 4.3Å; R121-M264 HydrophobicContact CG-SD 4.48Å
122E98.7Very high98.1Very high108 Ų10851 Ų5151%0.50526%0.261SS..BIsolated β-bridgetrans-57.2135.5179.1-163164.515800111.9R34 E262 T263 M264R34-E122 IonicContact NH2-OE2 3.62Å; E122-E262 PolarHBondContact N-O 2.86Å; E122-T263 HydrophobicContact CB-CG2 4.02Å; E122-T263 CarbonylContact O-C 3.5Å; E122-M264 WeakPolarHBondContact O-CB 3.31Å; E122-M264 PolarHBondContact O-N 3.27Å
123G98.6Very high98.1Very high31 Ų3157.6 Ų57.632%0.3229%0.291SS..THydrogen-bonded Turntrans78.913.6-177.200000114.9R121 Q125 L126 F127 N268R121-G123 PolarHBondContact O-N 3.11Å; G123-Q125 VanDerWaalsContact C-N 3.25Å; G123-Q125 PolarHBondContact O-N 3.36Å; G123-L126 PolarHBondContact O-N 3.17Å; G123-F127 PolarHBondContact O-N 3.2Å; G123-N268 PolarHBondContact O-ND2 2.96Å
124Y98.8Very high98.1Very high49 Ų4959.9 Ų59.919%0.19230%0.301CS..Hα-helixtrans-56.2-37.2175.972.7-90000113.1L120 R121 L126 F127 F128 A156 V158L120-Y124 HydrophobicContact CB-CD1 3.49Å; L120-Y124 VanDerWaalsContact CB-CD1 3.49Å; L120-Y124 HydrophobicContact CB-CD2 4.19Å; L120-Y124 HydrophobicContact CB-CE1 4.04Å; L120-Y124 HydrophobicContact CB-CG 3.58Å; L120-Y124 HydrophobicContact CD1-CD1 4.2Å; L120-Y124 HydrophobicContact CD1-CD2 3.39Å; L120-Y124 HydrophobicContact CD1-CE1 4.38Å; L120-Y124 HydrophobicContact CD1-CE2 3.62Å; L120-Y124 HydrophobicContact CD1-CG 3.71Å; L120-Y124 HydrophobicContact CG-CD1 4.5Å; L120-Y124 HydrophobicContact CG-CD2 4.42Å; L120-Y124 HydrophobicContact CG-CG 4.28Å; R121-Y124 WeakPolarHBondContact O-CB 3.32Å; R121-Y124 WeakPolarHBondContact O-CD1 3.46Å; R121-Y124 PolarHBondContact O-N 2.78Å; R121-Y124 VanDerWaalsContact O-N 3.17Å; Y124-L126 PolarHBondContact O-N 2.9Å; Y124-F127 WeakPolarHBondContact O-CB 3.45Å; Y124-F127 PolarHBondContact O-N 3.02Å; Y124-F128 HydrophobicContact CD2-CD2 4.29Å; Y124-F128 VanDerWaalsContact O-CD2 3.29Å; Y124-F128 WeakPolarHBondContact O-CD2 3.38Å; Y124-F128 PolarHBondContact O-N 2.75Å; Y124-A156 HydrophobicContact CE2-CB 3.9Å; Y124-V158 HydrophobicContact CD2-CG1 3.92Å; Y124-V158 HydrophobicContact CD2-CG2 4.15Å; Y124-V158 HydrophobicContact CE2-CG1 3.79Å; Y124-V158 HydrophobicContact CE2-CG2 4.21Å
125Q98.7Very high98.1Very high106 Ų10656.1 Ų56.150%0.49529%0.294SS..Hα-helixtrans-58.7-50.4-176.4-66161.6-57.300110.5G123 F127 F128 D129G123-Q125 VanDerWaalsContact C-N 3.25Å; G123-Q125 PolarHBondContact O-N 3.36Å; Q125-F127 VanDerWaalsContact C-N 3.28Å; Q125-F127 PolarHBondContact O-N 2.69Å; Q125-F128 PolarHBondContact O-N 3.17Å; Q125-D129 VanDerWaalsContact O-CB 3.23Å; Q125-D129 WeakPolarHBondContact O-CB 3.32Å; Q125-D129 PolarHBondContact O-N 3.3Å
126L98.6Very high98.1Very high80 Ų8050 Ų5042%0.41927%0.266SS..Hα-helixtrans-56.3-43.3174.7176.159.5000111.5G123 Y124 H130 N268 L272G123-L126 PolarHBondContact O-N 3.17Å; Y124-L126 PolarHBondContact O-N 2.9Å; L126-H130 HydrophobicContact CD1-CB 4.33Å; L126-H130 WeakPolarHBondContact O-CB 3.19Å; L126-H130 PolarHBondContact O-N 3.07Å; L126-N268 HydrophobicContact CD2-CB 3.79Å; L126-N268 HydrophobicContact CG-CB 4.3Å; L126-L272 HydrophobicContact CD2-CD1 4.49Å
127F98.8Very high98.2Very high3 Ų349.7 Ų49.71%0.01326%0.262CS..Hα-helixtrans-59.3-54179.2176-96.6000111.8V24 L32 G123 Y124 Q125 L131 L138 L214 L267 N268 L271V24-F127 HydrophobicContact CG1-CZ 4.12Å; L32-F127 HydrophobicContact CD2-CE1 4.1Å; G123-F127 PolarHBondContact O-N 3.2Å; Y124-F127 WeakPolarHBondContact O-CB 3.45Å; Y124-F127 PolarHBondContact O-N 3.02Å; Q125-F127 VanDerWaalsContact C-N 3.28Å; Q125-F127 PolarHBondContact O-N 2.69Å; F127-L131 HydrophobicContact CD1-CD1 4.05Å; F127-L131 HydrophobicContact CD2-CD1 4.46Å; F127-L131 HydrophobicContact CE1-CD1 3.6Å; F127-L131 HydrophobicContact CE2-CD1 4.06Å; F127-L131 HydrophobicContact CG-CD1 4.47Å; F127-L131 HydrophobicContact CZ-CD1 3.62Å; F127-L131 WeakPolarHBondContact O-CG 3.3Å; F127-L131 PolarHBondContact O-N 3.45Å; F127-L138 HydrophobicContact CE1-CD2 4.08Å; F127-L214 HydrophobicContact CE2-CD1 4.08Å; F127-L214 HydrophobicContact CZ-CD1 3.76Å; F127-L267 HydrophobicContact CD2-CB 4.22Å; F127-L267 HydrophobicContact CE2-CB 4.36Å; F127-L267 HydrophobicContact CE2-CD1 4.32Å; F127-N268 VanDerWaalsContact CA-OD1 3.22Å; F127-N268 WeakPolarHBondContact CA-OD1 3.24Å; F127-N268 WeakPolarHBondContact CB-OD1 3.24Å; F127-N268 PolarHBondContact N-OD1 2.86Å; F127-L271 HydrophobicContact CD2-CD1 3.43Å; F127-L271 VanDerWaalsContact CD2-CD1 3.43Å; F127-L271 HydrophobicContact CE2-CD1 3.72Å; F127-L271 HydrophobicContact CG-CD1 4.35Å
128F98.9Very high98.3Very high1 Ų145.2 Ų45.20%0.00424%0.239CC..Hα-helixtrans-68.3-45.6-177.3-78.9-86.8000112.5L32 Y124 Q125 H130 L131 Q132 L138 I140 I153 V158 V163L32-F128 HydrophobicContact CD1-CZ 3.88Å; Y124-F128 HydrophobicContact CD2-CD2 4.29Å; Y124-F128 VanDerWaalsContact O-CD2 3.29Å; Y124-F128 WeakPolarHBondContact O-CD2 3.38Å; Y124-F128 PolarHBondContact O-N 2.75Å; Q125-F128 PolarHBondContact O-N 3.17Å; F128-H130 PolarHBondContact O-N 3.41Å; F128-L131 PolarHBondContact O-N 2.9Å; F128-Q132 PolarHBondContact O-N 3.17Å; F128-Q132 VanDerWaalsContact O-N 3.07Å; F128-L138 HydrophobicContact CD1-CD2 3.8Å; F128-L138 HydrophobicContact CE1-CD2 3.47Å; F128-L138 VanDerWaalsContact CE1-CD2 3.47Å; F128-L138 HydrophobicContact CZ-CD2 4.31Å; F128-I140 HydrophobicContact CE1-CD1 4.27Å; F128-I153 HydrophobicContact CZ-CG2 4.25Å; F128-V158 HydrophobicContact CB-CB 3.63Å; F128-V158 HydrophobicContact CB-CG1 3.91Å; F128-V158 HydrophobicContact CB-CG2 4.46Å; F128-V158 HydrophobicContact CD1-CB 4.1Å; F128-V158 HydrophobicContact CD1-CG2 4.26Å; F128-V158 WeakPolarHBondContact CD1-O 3.48Å; F128-V158 HydrophobicContact CD2-CB 3.93Å; F128-V158 HydrophobicContact CD2-CG1 4.34Å; F128-V158 HydrophobicContact CD2-CG2 3.82Å; F128-V158 HydrophobicContact CE1-CG2 4.44Å; F128-V158 HydrophobicContact CE2-CG2 4.05Å; F128-V158 HydrophobicContact CG-CB 3.64Å; F128-V158 HydrophobicContact CG-CG1 4.27Å; F128-V158 HydrophobicContact CG-CG2 3.95Å; F128-V158 HydrophobicContact CZ-CG2 4.35Å; F128-V163 HydrophobicContact CD1-CG2 4.2Å; F128-V163 HydrophobicContact CE1-CG2 4.42Å
129D98.7Very high98.3Very high76 Ų7644 Ų4441%0.40623%0.228SC..Hα-helixtrans-65.1-41.2-177.1-64.5-13.2000111Q125 Q132 E133 H160Q125-D129 VanDerWaalsContact O-CB 3.23Å; Q125-D129 WeakPolarHBondContact O-CB 3.32Å; Q125-D129 PolarHBondContact O-N 3.3Å; D129-Q132 PolarHBondContact O-N 2.9Å; D129-E133 WeakPolarHBondContact O-CB 3.46Å; D129-E133 PolarHBondContact O-N 3.11Å; D129-H160 IonicContact OD1-CD2 2.63Å; D129-H160 IonicContact OD1-CE1 2.67Å; D129-H160 PolarHBondContact OD1-CE1 3.41Å; D129-H160 IonicContact OD1-NE2 2.65Å; D129-H160 PolarHBondContact OD1-NE2 3.24Å
130H98.5Very high98.3Very high16 Ų1640.9 Ų40.97%0.07421%0.213CC..Hα-helixtrans-67-38.9179.1-167.382.2000112.4L126 F128 Q132 E133 H134 T275L126-H130 HydrophobicContact CD1-CB 4.33Å; L126-H130 WeakPolarHBondContact O-CB 3.19Å; L126-H130 PolarHBondContact O-N 3.07Å; F128-H130 PolarHBondContact O-N 3.41Å; H130-Q132 VanDerWaalsContact C-N 3.33Å; H130-E133 PolarHBondContact O-N 3.23Å; H130-H134 AromaticContact CD2-CD2 3.79Å; H130-H134 AromaticContact CE1-CD2 3.47Å; H130-H134 PolarHBondContact CE1-CD2 2.99Å; H130-H134 VanDerWaalsContact CE1-CD2 3.47Å; H130-H134 AromaticContact CE1-NE2 3.31Å; H130-H134 PolarHBondContact CE1-NE2 2.79Å; H130-H134 VanDerWaalsContact CE1-NE2 3.31Å; H130-H134 AromaticContact ND1-CD2 3.94Å; H130-H134 AromaticContact NE2-CD2 3.4Å; H130-H134 PolarHBondContact NE2-CD2 3.15Å; H130-H134 AromaticContact NE2-NE2 3.57Å; H130-H134 PolarHBondContact O-CD2 3.1Å; H130-H134 PolarHBondContact O-N 3.47Å; H130-H134 VanDerWaalsContact O-N 3.15Å; H130-T275 PolarHBondContact CE1-OG1 3.38Å; H130-T275 VanDerWaalsContact CE1-OG1 3.28Å; H130-T275 WeakPolarHBondContact NE2-CG2 3.26Å; H130-T275 PolarHBondContact NE2-OG1 3.46Å
131L98.5Very high98.2Very high0 Ų040.1 Ų40.10%021%0.209CC..Hα-helixtrans-62.5-42173-68.7174.5000111.3V24 F127 F128 S135 I136 L138 N162 L271V24-L131 HydrophobicContact CG2-CD1 4.18Å; V24-L131 HydrophobicContact CG2-CD2 3.66Å; F127-L131 HydrophobicContact CD1-CD1 4.05Å; F127-L131 HydrophobicContact CD2-CD1 4.46Å; F127-L131 HydrophobicContact CE1-CD1 3.6Å; F127-L131 HydrophobicContact CE2-CD1 4.06Å; F127-L131 HydrophobicContact CG-CD1 4.47Å; F127-L131 HydrophobicContact CZ-CD1 3.62Å; F127-L131 WeakPolarHBondContact O-CG 3.3Å; F127-L131 PolarHBondContact O-N 3.45Å; F128-L131 PolarHBondContact O-N 2.9Å; L131-S135 PolarHBondContact O-N 3.45Å; L131-S135 VanDerWaalsContact O-N 3.13Å; L131-I136 HydrophobicContact CB-CB 4.38Å; L131-I136 HydrophobicContact CD2-CB 3.73Å; L131-I136 HydrophobicContact CD2-CD1 4.02Å; L131-I136 HydrophobicContact CD2-CG1 4.47Å; L131-I136 HydrophobicContact CD2-CG2 3.57Å; L131-I136 PolarHBondContact O-N 3.04Å; L131-L138 HydrophobicContact CD1-CB 4.25Å; L131-L138 HydrophobicContact CD1-CD2 4.19Å; L131-N162 PolarHBondContact O-ND2 2.94Å; L131-L271 HydrophobicContact CD2-CD1 3.94Å; L131-L271 HydrophobicContact CD2-CD2 3.79Å; L131-L271 HydrophobicContact CG-CD1 4.1Å
132Q98.4Very high98.2Very high62 Ų6240.2 Ų40.229%0.2921%0.209SC..Hα-helixtrans-65.7-46.3177.5171.957.631.500111.6F128 D129 H130 H134 S135 H160 N162F128-Q132 PolarHBondContact O-N 3.17Å; F128-Q132 VanDerWaalsContact O-N 3.07Å; D129-Q132 PolarHBondContact O-N 2.9Å; H130-Q132 VanDerWaalsContact C-N 3.33Å; Q132-H134 VanDerWaalsContact C-N 3.27Å; Q132-H134 PolarHBondContact O-N 3.21Å; Q132-S135 PolarHBondContact O-N 2.89Å; Q132-H160 HydrophobicContact CB-CB 3.93Å; Q132-H160 HydrophobicContact CG-CB 3.88Å; Q132-N162 PolarHBondContact N-ND2 2.84Å; Q132-N162 PolarHBondContact OE1-OD1 2.96Å
133E97.8Very high98Very high150 Ų15036 Ų3670%0.70119%0.193SC*.Hα-helixtrans-56.1-42.3178.5-177176.1179.800111.7D129 H130 S135D129-E133 WeakPolarHBondContact O-CB 3.46Å; D129-E133 PolarHBondContact O-N 3.11Å; H130-E133 PolarHBondContact O-N 3.23Å; E133-S135 VanDerWaalsContact C-N 3.33Å; E133-S135 PolarHBondContact O-N 2.84Å
134H97.1Very high97.9Very high58 Ų5834.6 Ų34.627%0.26918%0.179SC..THydrogen-bonded Turntrans-88.66.1178.9-72.7-74.8000114.5H130 Q132 I136 T275H130-H134 AromaticContact CD2-CD2 3.79Å; H130-H134 AromaticContact CE1-CD2 3.47Å; H130-H134 PolarHBondContact CE1-CD2 2.99Å; H130-H134 VanDerWaalsContact CE1-CD2 3.47Å; H130-H134 AromaticContact CE1-NE2 3.31Å; H130-H134 PolarHBondContact CE1-NE2 2.79Å; H130-H134 VanDerWaalsContact CE1-NE2 3.31Å; H130-H134 AromaticContact ND1-CD2 3.94Å; H130-H134 AromaticContact NE2-CD2 3.4Å; H130-H134 PolarHBondContact NE2-CD2 3.15Å; H130-H134 AromaticContact NE2-NE2 3.57Å; H130-H134 PolarHBondContact O-CD2 3.1Å; H130-H134 PolarHBondContact O-N 3.47Å; H130-H134 VanDerWaalsContact O-N 3.15Å; Q132-H134 VanDerWaalsContact C-N 3.27Å; Q132-H134 PolarHBondContact O-N 3.21Å; H134-I136 HydrophobicContact CB-CD1 3.9Å; H134-I136 HydrophobicContact CB-CG1 3.92Å; H134-I136 PolarHBondContact O-N 3.31Å; H134-T275 HydrophobicContact CB-CG2 4.42Å; H134-T275 PolarHBondContact NE2-OG1 3.28Å
135S96.9Very high97.8Very high76 Ų7632.2 Ų32.253%0.53117%0.169SC..THydrogen-bonded Turntrans50.642.4-176.9-57.40000112.4L131 Q132 E133 R208L131-S135 PolarHBondContact O-N 3.45Å; L131-S135 VanDerWaalsContact O-N 3.13Å; Q132-S135 PolarHBondContact O-N 2.89Å; E133-S135 VanDerWaalsContact C-N 3.33Å; E133-S135 PolarHBondContact O-N 2.84Å; S135-R208 PolarHBondContact O-NH1 2.85Å; S135-R208 PolarHBondContact O-NH2 3.13Å
136I97.8Very high97.8Very high1 Ų127.2 Ų27.21%0.00515%0.146CC..  trans-88.6118.3174.2-62.5173.2000107.2I22 V24 L131 H134 L138 N162 T275I22-I136 HydrophobicContact CG2-CG2 4.11Å; V24-I136 HydrophobicContact CG2-CG2 3.96Å; L131-I136 HydrophobicContact CB-CB 4.38Å; L131-I136 HydrophobicContact CD2-CB 3.73Å; L131-I136 HydrophobicContact CD2-CD1 4.02Å; L131-I136 HydrophobicContact CD2-CG1 4.47Å; L131-I136 HydrophobicContact CD2-CG2 3.57Å; L131-I136 PolarHBondContact O-N 3.04Å; H134-I136 HydrophobicContact CB-CD1 3.9Å; H134-I136 HydrophobicContact CB-CG1 3.92Å; H134-I136 PolarHBondContact O-N 3.31Å; I136-L138 PolarHBondContact O-N 2.91Å; I136-N162 PolarHBondContact O-ND2 3.1Å; I136-T275 HydrophobicContact CD1-CG2 4Å
137P98Very high97.7Very high22 Ų2224.4 Ų24.414%0.14313%0.131CC..  trans-62.8134.2177.6-20.532.1000111.3V24 L205V24-P137 PolarHBondContact N-O 3.22Å; P137-L205 HydrophobicContact CB-CD1 3.83Å; P137-L205 HydrophobicContact CB-CD2 4.07Å; P137-L205 HydrophobicContact CG-CD1 4.22Å; P137-L205 HydrophobicContact CG-CD2 3.63Å
138L98.4Very high97.7Very high2 Ų224.3 Ų24.31%0.0113%0.131CC..EExtended strand (participates in β ladder)trans-114114.5169.9173.359.4000109V24 F127 F128 L131 I136 I140 N162 V163 K164V24-L138 HydrophobicContact CB-CD1 3.82Å; V24-L138 HydrophobicContact CG1-CD1 3.62Å; V24-L138 WeakPolarHBondContact O-CA 3.12Å; F127-L138 HydrophobicContact CE1-CD2 4.08Å; F128-L138 HydrophobicContact CD1-CD2 3.8Å; F128-L138 HydrophobicContact CE1-CD2 3.47Å; F128-L138 VanDerWaalsContact CE1-CD2 3.47Å; F128-L138 HydrophobicContact CZ-CD2 4.31Å; L131-L138 HydrophobicContact CD1-CB 4.25Å; L131-L138 HydrophobicContact CD1-CD2 4.19Å; I136-L138 PolarHBondContact O-N 2.91Å; L138-I140 HydrophobicContact CD1-CG1 4.45Å; L138-I140 HydrophobicContact CD2-CD1 4.4Å; L138-I140 HydrophobicContact CD2-CG1 4.17Å; L138-I140 HydrophobicContact CG-CG1 4.04Å; L138-N162 PolarHBondContact N-O 2.91Å; L138-V163 HydrophobicContact CB-CG2 4.38Å; L138-V163 HydrophobicContact CD2-CG1 4.32Å; L138-V163 HydrophobicContact CD2-CG2 4.14Å; L138-V163 HydrophobicContact CG-CG1 4.44Å; L138-V163 CarbonylContact O-C 3.48Å; L138-V163 WeakPolarHBondContact O-CA 3.36Å; L138-K164 PolarHBondContact O-N 2.82Å
139L97.9Very high97.7Very high2 Ų224.2 Ų24.21%0.0113%0.131CC..EExtended strand (participates in β ladder)trans-95.7114.4166.217763.9000109.2V24 I25 S26 F141 K164 F166 F202V24-L139 PolarHBondContact O-N 3.44Å; I25-L139 CarbonylContact C-O 3.56Å; I25-L139 WeakPolarHBondContact CA-O 3.46Å; I25-L139 HydrophobicContact CG1-CB 4.36Å; I25-L139 HydrophobicContact CG2-CD2 4.33Å; S26-L139 PolarHBondContact N-O 2.9Å; L139-F141 HydrophobicContact CG-CB 4.44Å; L139-K164 CarbonylContact C-O 3.49Å; L139-K164 WeakPolarHBondContact CA-O 3.48Å; L139-K164 HydrophobicContact CD1-CB 4.13Å; L139-K164 HydrophobicContact CD1-CG 4.26Å; L139-F166 HydrophobicContact CD1-CB 4.47Å; L139-F166 HydrophobicContact CD1-CD1 4.35Å; L139-F166 HydrophobicContact CD1-CD2 3.61Å; L139-F166 HydrophobicContact CD1-CE2 3.78Å; L139-F166 HydrophobicContact CD1-CG 3.88Å; L139-F166 HydrophobicContact CD1-CZ 4.25Å; L139-F166 HydrophobicContact CD2-CD2 4Å; L139-F166 HydrophobicContact CD2-CE2 4.01Å; L139-F166 HydrophobicContact CG-CD2 4.34Å; L139-F202 HydrophobicContact CD2-CE1 4.1Å; L139-F202 HydrophobicContact CD2-CZ 3.75Å
140I98.4Very high97.7Very high0 Ų022.7 Ų22.70%012%0.121CC..EExtended strand (participates in β ladder)trans-89.2114.5167.4-54178.7000107.8S26 F28 L32 F128 L138 L149 I153 V163 K164 V165 F166S26-I140 CarbonylContact O-C 3.56Å; S26-I140 VanDerWaalsContact O-CA 3.3Å; S26-I140 WeakPolarHBondContact O-CA 3.38Å; F28-I140 HydrophobicContact CB-CG2 3.73Å; F28-I140 HydrophobicContact CD2-CG2 4.15Å; F28-I140 HydrophobicContact CG-CG2 4.34Å; L32-I140 HydrophobicContact CD1-CD1 3.94Å; L32-I140 HydrophobicContact CD1-CG1 4.09Å; F128-I140 HydrophobicContact CE1-CD1 4.27Å; L138-I140 HydrophobicContact CD1-CG1 4.45Å; L138-I140 HydrophobicContact CD2-CD1 4.4Å; L138-I140 HydrophobicContact CD2-CG1 4.17Å; L138-I140 HydrophobicContact CG-CG1 4.04Å; I140-L149 HydrophobicContact CD1-CD2 4.43Å; I140-L149 HydrophobicContact CG2-CD1 3.87Å; I140-L149 HydrophobicContact CG2-CD2 4.43Å; I140-I153 HydrophobicContact CD1-CD1 4.07Å; I140-V163 HydrophobicContact CD1-CG1 3.68Å; I140-V163 HydrophobicContact CG1-CG1 4.02Å; I140-K164 PolarHBondContact N-O 3Å; I140-V165 HydrophobicContact CB-CG2 4.27Å; I140-V165 HydrophobicContact CD1-CG2 4.42Å; I140-V165 CarbonylContact O-C 3.56Å; I140-V165 WeakPolarHBondContact O-CA 3.21Å; I140-F166 PolarHBondContact O-N 3.1Å
141F97Very high97.7Very high0 Ų022.9 Ų22.90%012%0.122CC..EExtended strand (participates in β ladder)trans-117.795.3-178.1-167.8178.8000110.2S26 L139 F166 I186 K191 A195 M223S26-F141 PolarHBondContact O-N 3.27Å; L139-F141 HydrophobicContact CG-CB 4.44Å; F141-F166 CarbonylContact C-O 3.57Å; F141-F166 WeakPolarHBondContact CA-O 3.36Å; F141-F166 HydrophobicContact CD2-CB 3.74Å; F141-F166 HydrophobicContact CE2-CB 4.17Å; F141-F166 HydrophobicContact CG-CB 4.25Å; F141-I186 HydrophobicContact CD2-CG2 4.48Å; F141-I186 HydrophobicContact CE2-CD1 3.89Å; F141-I186 HydrophobicContact CE2-CG1 4.27Å; F141-I186 HydrophobicContact CE2-CG2 3.84Å; F141-K191 HydrophobicContact CE1-CB 4.2Å; F141-K191 WeakPolarHBondContact CE1-O 3.33Å; F141-K191 HydrophobicContact CZ-CB 4.11Å; F141-K191 HydrophobicContact CZ-CG 4.48Å; F141-K191 WeakPolarHBondContact CZ-O 3.1Å; F141-K191 PolarHBondContact O-NZ 2.88Å; F141-A195 HydrophobicContact CE1-CB 3.99Å; F141-M223 HydrophobicContact CB-CG 4.39Å; F141-M223 HydrophobicContact CB-SD 3.87Å; F141-M223 HydrophobicContact CD1-CB 3.85Å; F141-M223 HydrophobicContact CD1-CG 3.82Å; F141-M223 HydrophobicContact CD1-SD 4.39Å; F141-M223 HydrophobicContact CE1-CB 4.49Å; F141-M223 HydrophobicContact CE1-CG 4.42Å; F141-M223 HydrophobicContact CG-CG 4.29Å; F141-M223 HydrophobicContact CG-SD 4.29Å; F141-M223 VanDerWaalsContact O-SD 3.34Å
142S96.8Very high97.7Very high1 Ų123.5 Ų23.51%0.00713%0.125CC..EExtended strand (participates in β ladder)trans-115.4136.4-168.3177.10000112.2G144 F166 S167S142-G144 PolarHBondContact O-N 2.78Å; S142-G144 WeakPolarHBondContact OG-CA 3.46Å; S142-G144 PolarHBondContact OG-N 2.85Å; S142-F166 PolarHBondContact N-O 3.14Å; S142-S167 VanDerWaalsContact O-CA 3.24Å; S142-S167 WeakPolarHBondContact O-CA 3.46Å; S142-S167 WeakPolarHBondContact O-CB 3.45Å; S142-S167 PolarHBondContact O-OG 3.21Å
143A95.3Very high97.7Very high19 Ų1920.5 Ų20.516%0.15711%0.112CC..EExtended strand (participates in β ladder)trans-77.92.4166.600000113.1N168 I186A143-N168 PolarHBondContact O-ND2 2.87Å; A143-I186 HydrophobicContact CB-CG2 4.21Å
144G95.8Very high97.8Very high2 Ų219.3 Ų19.32%0.02110%0.101CC..EExtended strand (participates in β ladder)trans-79-157178.800000114.7S45 S142 S167 N168S45-G144 WeakPolarHBondContact OG-CA 3.35Å; S142-G144 PolarHBondContact O-N 2.78Å; S142-G144 WeakPolarHBondContact OG-CA 3.46Å; S142-G144 PolarHBondContact OG-N 2.85Å; G144-S167 PolarHBondContact O-OG 2.91Å; G144-N168 VanDerWaalsContact O-CB 3.28Å; G144-N168 WeakPolarHBondContact O-CB 3.41Å; G144-N168 PolarHBondContact O-N 3.03Å; G144-N168 PolarHBondContact O-ND2 2.85Å
145L97.4Very high97.8Very high0 Ų020.6 Ų20.60%011%0.107CC..EExtended strand (participates in β ladder)trans-96.9115176.2-62.7177000110.6S45 H46 L49 V148 L149 M170 F181S45-L145 PolarHBondContact OG-N 3.36Å; H46-L145 VanDerWaalsContact NE2-CD2 3.33Å; H46-L145 WeakPolarHBondContact NE2-CD2 3.47Å; L49-L145 HydrophobicContact CB-CD1 4Å; L49-L145 HydrophobicContact CD2-CD1 3.61Å; L49-L145 HydrophobicContact CG-CD1 4.5Å; L145-V148 HydrophobicContact CB-CB 4.02Å; L145-V148 HydrophobicContact CB-CG2 3.91Å; L145-V148 HydrophobicContact CD1-CG2 3.97Å; L145-V148 PolarHBondContact O-N 3.29Å; L145-L149 VanDerWaalsContact O-CB 3.31Å; L145-L149 WeakPolarHBondContact O-CB 3.39Å; L145-L149 PolarHBondContact O-N 3.42Å; L145-M170 HydrophobicContact CD1-CE 4.01Å; L145-M170 HydrophobicContact CD2-CE 4.2Å; L145-F181 HydrophobicContact CD2-CE1 3.45Å; L145-F181 VanDerWaalsContact CD2-CE1 3.45Å; L145-F181 HydrophobicContact CD2-CZ 3.79Å
146G97.9Very high97.9Very high0 Ų018.2 Ų18.20%09%0.092CC..Hα-helixtrans-60.3-48.7-175.500000113.7V148 L149 E150 S167 N168G146-V148 VanDerWaalsContact C-N 3.3Å; G146-V148 PolarHBondContact O-N 2.82Å; G146-L149 PolarHBondContact O-N 2.99Å; G146-E150 WeakPolarHBondContact O-CB 3.44Å; G146-E150 WeakPolarHBondContact O-CG 3.47Å; G146-E150 PolarHBondContact O-N 3.3Å; G146-S167 PolarHBondContact N-OG 2.8Å; G146-N168 PolarHBondContact N-O 2.75Å
147D98.3Very high98Very high22 Ų2220.7 Ų20.712%0.11812%0.117CC..Hα-helixtrans-62.2-36.4-179.4-58.1-105.3000112.6L109 E151 Y169 M170L109-D147 HydrophobicContact CD1-CB 3.79Å; D147-E151 WeakPolarHBondContact O-CB 3.43Å; D147-E151 PolarHBondContact O-N 2.95Å; D147-Y169 WeakPolarHBondContact OD2-CA 3.37Å; D147-M170 WeakPolarHBondContact OD2-CB 3.4Å; D147-M170 PolarHBondContact OD2-N 3.24Å
148V98.4Very high98Very high0 Ų019.7 Ų19.70%011%0.111CC..Hα-helixtrans-73.2-45.6177.9179.60000110.5I48 V113 L145 G146 E151 V152I48-V148 HydrophobicContact CB-CG1 3.97Å; I48-V148 HydrophobicContact CD1-CG1 3.92Å; I48-V148 HydrophobicContact CG2-CG1 3.76Å; V113-V148 HydrophobicContact CG2-CG1 3.86Å; L145-V148 HydrophobicContact CB-CB 4.02Å; L145-V148 HydrophobicContact CB-CG2 3.91Å; L145-V148 HydrophobicContact CD1-CG2 3.97Å; L145-V148 PolarHBondContact O-N 3.29Å; G146-V148 VanDerWaalsContact C-N 3.3Å; G146-V148 PolarHBondContact O-N 2.82Å; V148-E151 PolarHBondContact O-N 2.82Å; V148-V152 WeakPolarHBondContact O-CG2 3.33Å; V148-V152 PolarHBondContact O-N 3.44Å
149L98.4Very high98Very high0 Ų022 Ų220%012%0.121CC..Hα-helixtrans-56.5-51.5176.5175.3166.3000111.3F28 I140 L145 G146 E151 V152 I153 V165F28-L149 HydrophobicContact CB-CD1 3.47Å; F28-L149 VanDerWaalsContact CB-CD1 3.47Å; F28-L149 HydrophobicContact CB-CG 4.23Å; F28-L149 HydrophobicContact CD1-CB 4.07Å; F28-L149 HydrophobicContact CD1-CD1 3.59Å; F28-L149 HydrophobicContact CD1-CG 3.56Å; F28-L149 HydrophobicContact CD2-CD1 3.85Å; F28-L149 HydrophobicContact CD2-CD2 4.25Å; F28-L149 HydrophobicContact CD2-CG 3.67Å; F28-L149 HydrophobicContact CE1-CB 3.98Å; F28-L149 HydrophobicContact CE1-CD1 4.25Å; F28-L149 HydrophobicContact CE1-CG 3.69Å; F28-L149 HydrophobicContact CE2-CD1 4.5Å; F28-L149 HydrophobicContact CE2-CD2 4.32Å; F28-L149 HydrophobicContact CE2-CG 3.83Å; F28-L149 HydrophobicContact CG-CD1 3.35Å; F28-L149 HydrophobicContact CG-CG 3.54Å; F28-L149 HydrophobicContact CZ-CB 4.37Å; F28-L149 HydrophobicContact CZ-CG 3.82Å; I140-L149 HydrophobicContact CD1-CD2 4.43Å; I140-L149 HydrophobicContact CG2-CD1 3.87Å; I140-L149 HydrophobicContact CG2-CD2 4.43Å; L145-L149 VanDerWaalsContact O-CB 3.31Å; L145-L149 WeakPolarHBondContact O-CB 3.39Å; L145-L149 PolarHBondContact O-N 3.42Å; G146-L149 PolarHBondContact O-N 2.99Å; L149-E151 PolarHBondContact O-N 2.65Å; L149-V152 WeakPolarHBondContact O-CB 3.38Å; L149-V152 PolarHBondContact O-N 2.67Å; L149-V152 VanDerWaalsContact O-N 3.15Å; L149-I153 HydrophobicContact CD2-CD1 4.06Å; L149-I153 HydrophobicContact CD2-CG1 4.44Å; L149-I153 WeakPolarHBondContact O-CG1 3.36Å; L149-I153 PolarHBondContact O-N 2.75Å; L149-I153 VanDerWaalsContact O-N 3.13Å; L149-V165 HydrophobicContact CD1-CG1 4.21Å; L149-V165 HydrophobicContact CD2-CG1 3.83Å; L149-V165 HydrophobicContact CD2-CG2 3.84Å
150E98.6Very high98Very high43 Ų4323.7 Ų23.720%0.20113%0.129CC..Hα-helixtrans-58.1-41.1179.3-79-165.1-174.200111.4G146 I153 R154 F159 V165 Y169G146-E150 WeakPolarHBondContact O-CB 3.44Å; G146-E150 WeakPolarHBondContact O-CG 3.47Å; G146-E150 PolarHBondContact O-N 3.3Å; E150-I153 VanDerWaalsContact O-CG1 3.27Å; E150-I153 WeakPolarHBondContact O-CG1 3.28Å; E150-I153 PolarHBondContact O-N 2.97Å; E150-R154 WeakPolarHBondContact O-CB 3.43Å; E150-R154 PolarHBondContact O-N 3.42Å; E150-R154 IonicContact OE2-NH2 2.72Å; E150-R154 PolarHBondContact OE2-NH2 3.09Å; E150-F159 HydrophobicContact CB-CD1 4.29Å; E150-F159 HydrophobicContact CB-CE1 3.7Å; E150-F159 HydrophobicContact CB-CZ 4.49Å; E150-F159 VanDerWaalsContact CD-CE1 3.47Å; E150-F159 HydrophobicContact CG-CD1 4.43Å; E150-F159 HydrophobicContact CG-CE1 3.46Å; E150-F159 VanDerWaalsContact CG-CE1 3.46Å; E150-F159 HydrophobicContact CG-CZ 3.77Å; E150-V165 HydrophobicContact CG-CG2 4.23Å; E150-Y169 HydrophobicContact CG-CE1 4.43Å; E150-Y169 WeakPolarHBondContact OE1-CE1 3.32Å; E150-Y169 PolarHBondContact OE1-OH 2.87Å
151E98.7Very high98Very high21 Ų2129.5 Ų29.510%0.09817%0.166CC..Hα-helixtrans-67.8-36.8178.8-172.859-15600112Q110 V113 D147 V148 L149 R154 Q155Q110-E151 HydrophobicContact CG-CG 4.38Å; Q110-E151 WeakPolarHBondContact CG-OE1 3.3Å; V113-E151 HydrophobicContact CB-CG 3.96Å; V113-E151 HydrophobicContact CG1-CG 4.24Å; V113-E151 HydrophobicContact CG2-CB 4Å; V113-E151 HydrophobicContact CG2-CG 3.89Å; D147-E151 WeakPolarHBondContact O-CB 3.43Å; D147-E151 PolarHBondContact O-N 2.95Å; V148-E151 PolarHBondContact O-N 2.82Å; L149-E151 PolarHBondContact O-N 2.65Å; E151-R154 PolarHBondContact O-N 3.47Å; E151-R154 IonicContact OE2-NE 3.31Å; E151-Q155 HydrophobicContact CG-CG 4.43Å; E151-Q155 WeakPolarHBondContact O-CB 3.29Å; E151-Q155 WeakPolarHBondContact O-CG 3.49Å; E151-Q155 PolarHBondContact O-N 3.16Å; E151-Q155 VanDerWaalsContact OE1-CG 3.3Å; E151-Q155 WeakPolarHBondContact OE1-CG 3.38Å; E151-Q155 PolarHBondContact OE1-NE2 3.45Å
152V98.8Very high98Very high12 Ų1230.7 Ų30.77%0.07317%0.173CC..Hα-helixtrans-58.1-52172.6170.70000111F28 I48 V113 A118 L120 V148 L149 R154 A156F28-V152 HydrophobicContact CZ-CB 4.06Å; F28-V152 HydrophobicContact CZ-CG1 3.87Å; I48-V152 HydrophobicContact CD1-CG2 3.8Å; V113-V152 HydrophobicContact CG1-CB 4.37Å; V113-V152 HydrophobicContact CG1-CG2 3.69Å; V113-V152 HydrophobicContact CG2-CG2 4.25Å; A118-V152 HydrophobicContact CB-CG2 4.42Å; L120-V152 HydrophobicContact CD2-CG1 4.47Å; V148-V152 WeakPolarHBondContact O-CG2 3.33Å; V148-V152 PolarHBondContact O-N 3.44Å; L149-V152 WeakPolarHBondContact O-CB 3.38Å; L149-V152 PolarHBondContact O-N 2.67Å; L149-V152 VanDerWaalsContact O-N 3.15Å; V152-R154 VanDerWaalsContact C-N 3.32Å; V152-R154 PolarHBondContact O-N 2.66Å; V152-A156 WeakPolarHBondContact O-CB 3.5Å; V152-A156 PolarHBondContact O-N 3.27Å
153I98.7Very high98.1Very high0 Ų031.2 Ų31.20%018%0.176CC..Hα-helixtrans-72.9-25.6-178.758.5171.4000112.8F28 F128 I140 L149 E150 G157 V158 F159 V163 V165F28-I153 HydrophobicContact CE2-CG2 3.72Å; F28-I153 HydrophobicContact CZ-CG2 4.3Å; F128-I153 HydrophobicContact CZ-CG2 4.25Å; I140-I153 HydrophobicContact CD1-CD1 4.07Å; L149-I153 HydrophobicContact CD2-CD1 4.06Å; L149-I153 HydrophobicContact CD2-CG1 4.44Å; L149-I153 WeakPolarHBondContact O-CG1 3.36Å; L149-I153 PolarHBondContact O-N 2.75Å; L149-I153 VanDerWaalsContact O-N 3.13Å; E150-I153 VanDerWaalsContact O-CG1 3.27Å; E150-I153 WeakPolarHBondContact O-CG1 3.28Å; E150-I153 PolarHBondContact O-N 2.97Å; I153-G157 PolarHBondContact O-N 3.5Å; I153-V158 HydrophobicContact CB-CG2 4.06Å; I153-V158 HydrophobicContact CG2-CG2 4.37Å; I153-V158 PolarHBondContact O-N 2.94Å; I153-F159 HydrophobicContact CB-CB 4.4Å; I153-F159 HydrophobicContact CD1-CB 3.99Å; I153-F159 HydrophobicContact CD1-CD1 3.99Å; I153-F159 HydrophobicContact CD1-CD2 3.64Å; I153-F159 HydrophobicContact CD1-CE1 4.39Å; I153-F159 HydrophobicContact CD1-CE2 4.05Å; I153-F159 HydrophobicContact CD1-CG 3.61Å; I153-F159 HydrophobicContact CD1-CZ 4.41Å; I153-F159 HydrophobicContact CG1-CB 3.87Å; I153-F159 HydrophobicContact CG1-CD1 4.02Å; I153-F159 HydrophobicContact CG1-CD2 4.41Å; I153-F159 HydrophobicContact CG1-CG 3.86Å; I153-F159 PolarHBondContact O-N 3Å; I153-V163 HydrophobicContact CD1-CG1 4.3Å; I153-V165 HydrophobicContact CD1-CG2 4.46Å
154R98.6Very high98.2Very high124 Ų12434 Ų3447%0.46818%0.184SC..Hα-helixtrans-69.9-48.2174-171.1-177.2-51.2-67.6-1.3111.5E150 E151 V152 A156 G157 F159E150-R154 WeakPolarHBondContact O-CB 3.43Å; E150-R154 PolarHBondContact O-N 3.42Å; E150-R154 IonicContact OE2-NH2 2.72Å; E150-R154 PolarHBondContact OE2-NH2 3.09Å; E151-R154 PolarHBondContact O-N 3.47Å; E151-R154 IonicContact OE2-NE 3.31Å; V152-R154 VanDerWaalsContact C-N 3.32Å; V152-R154 PolarHBondContact O-N 2.66Å; R154-A156 VanDerWaalsContact C-N 3.26Å; R154-A156 PolarHBondContact O-N 3.02Å; R154-G157 PolarHBondContact O-N 3.38Å; R154-F159 HydrophobicContact CB-CB 4.46Å; R154-F159 HydrophobicContact CB-CD1 4.4Å; R154-F159 VanDerWaalsContact NH2-CE1 3.29Å
155Q98.5Very high98.3Very high85 Ų8534.4 Ų34.440%0.39719%0.187SC..Hα-helixtrans-65.9-31176.4-68.9-172.722.900112.1Q110 E151 G157Q110-Q155 PolarHBondContact O-NE2 3.18Å; E151-Q155 HydrophobicContact CG-CG 4.43Å; E151-Q155 WeakPolarHBondContact O-CB 3.29Å; E151-Q155 WeakPolarHBondContact O-CG 3.49Å; E151-Q155 PolarHBondContact O-N 3.16Å; E151-Q155 VanDerWaalsContact OE1-CG 3.3Å; E151-Q155 WeakPolarHBondContact OE1-CG 3.38Å; E151-Q155 PolarHBondContact OE1-NE2 3.45Å; Q155-G157 PolarHBondContact O-N 2.83Å
156A98.5Very high98.2Very high27 Ų2735.5 Ų35.522%0.22319%0.191CC..THydrogen-bonded Turntrans-74.2-6.3172.300000114L120 Y124 V152 R154 V158L120-A156 HydrophobicContact CD1-CB 3.68Å; Y124-A156 HydrophobicContact CE2-CB 3.9Å; V152-A156 WeakPolarHBondContact O-CB 3.5Å; V152-A156 PolarHBondContact O-N 3.27Å; R154-A156 VanDerWaalsContact C-N 3.26Å; R154-A156 PolarHBondContact O-N 3.02Å; A156-V158 VanDerWaalsContact C-N 3.34Å; A156-V158 HydrophobicContact CB-CG2 4Å; A156-V158 PolarHBondContact O-N 3.45Å
157G98.6Very high98.1Very high52 Ų5236 Ų3654%0.53620%0.195SC..THydrogen-bonded Turntrans7518176.800000114.9I153 R154 Q155I153-G157 PolarHBondContact O-N 3.5Å; R154-G157 PolarHBondContact O-N 3.38Å; Q155-G157 PolarHBondContact O-N 2.83Å
158V98.7Very high98Very high2 Ų235 Ų351%0.01219%0.19CC..  trans-119.59.9-172.3-65.30000113.9L120 Y124 F128 I153 A156 H160L120-V158 HydrophobicContact CD1-CG2 4.22Å; Y124-V158 HydrophobicContact CD2-CG1 3.92Å; Y124-V158 HydrophobicContact CD2-CG2 4.15Å; Y124-V158 HydrophobicContact CE2-CG1 3.79Å; Y124-V158 HydrophobicContact CE2-CG2 4.21Å; F128-V158 HydrophobicContact CB-CB 3.63Å; F128-V158 HydrophobicContact CB-CG1 3.91Å; F128-V158 HydrophobicContact CB-CG2 4.46Å; F128-V158 HydrophobicContact CD1-CB 4.1Å; F128-V158 HydrophobicContact CD1-CG2 4.26Å; F128-V158 WeakPolarHBondContact CD1-O 3.48Å; F128-V158 HydrophobicContact CD2-CB 3.93Å; F128-V158 HydrophobicContact CD2-CG1 4.34Å; F128-V158 HydrophobicContact CD2-CG2 3.82Å; F128-V158 HydrophobicContact CE1-CG2 4.44Å; F128-V158 HydrophobicContact CE2-CG2 4.05Å; F128-V158 HydrophobicContact CG-CB 3.64Å; F128-V158 HydrophobicContact CG-CG1 4.27Å; F128-V158 HydrophobicContact CG-CG2 3.95Å; F128-V158 HydrophobicContact CZ-CG2 4.35Å; I153-V158 HydrophobicContact CB-CG2 4.06Å; I153-V158 HydrophobicContact CG2-CG2 4.37Å; I153-V158 PolarHBondContact O-N 2.94Å; A156-V158 VanDerWaalsContact C-N 3.34Å; A156-V158 HydrophobicContact CB-CG2 4Å; A156-V158 PolarHBondContact O-N 3.45Å; V158-H160 PolarHBondContact O-N 2.81Å
159F98.6Very high97.9Very high51 Ų5137.3 Ų37.322%0.22420%0.198CC..  trans-80.371.1173.7-161.5178.6000111.4E150 I153 R154 V163 V165E150-F159 HydrophobicContact CB-CD1 4.29Å; E150-F159 HydrophobicContact CB-CE1 3.7Å; E150-F159 HydrophobicContact CB-CZ 4.49Å; E150-F159 VanDerWaalsContact CD-CE1 3.47Å; E150-F159 HydrophobicContact CG-CD1 4.43Å; E150-F159 HydrophobicContact CG-CE1 3.46Å; E150-F159 VanDerWaalsContact CG-CE1 3.46Å; E150-F159 HydrophobicContact CG-CZ 3.77Å; I153-F159 HydrophobicContact CB-CB 4.4Å; I153-F159 HydrophobicContact CD1-CB 3.99Å; I153-F159 HydrophobicContact CD1-CD1 3.99Å; I153-F159 HydrophobicContact CD1-CD2 3.64Å; I153-F159 HydrophobicContact CD1-CE1 4.39Å; I153-F159 HydrophobicContact CD1-CE2 4.05Å; I153-F159 HydrophobicContact CD1-CG 3.61Å; I153-F159 HydrophobicContact CD1-CZ 4.41Å; I153-F159 HydrophobicContact CG1-CB 3.87Å; I153-F159 HydrophobicContact CG1-CD1 4.02Å; I153-F159 HydrophobicContact CG1-CD2 4.41Å; I153-F159 HydrophobicContact CG1-CG 3.86Å; I153-F159 PolarHBondContact O-N 3Å; R154-F159 HydrophobicContact CB-CB 4.46Å; R154-F159 HydrophobicContact CB-CD1 4.4Å; R154-F159 VanDerWaalsContact NH2-CE1 3.29Å; F159-V163 HydrophobicContact CD2-CB 3.97Å; F159-V163 HydrophobicContact CD2-CG1 4.14Å; F159-V163 HydrophobicContact CE2-CB 4.09Å; F159-V163 HydrophobicContact CE2-CG1 4.09Å; F159-V165 HydrophobicContact CE2-CG2 4.32Å; F159-V165 HydrophobicContact CZ-CG2 4.22Å
160H98.6Very high97.9Very high37 Ų3737.3 Ų37.317%0.17120%0.198CC..  trans-77.3160.4-176.6-61.3-45000112.9D129 Q132 V158 N162 V163D129-H160 IonicContact OD1-CD2 2.63Å; D129-H160 IonicContact OD1-CE1 2.67Å; D129-H160 PolarHBondContact OD1-CE1 3.41Å; D129-H160 IonicContact OD1-NE2 2.65Å; D129-H160 PolarHBondContact OD1-NE2 3.24Å; Q132-H160 HydrophobicContact CB-CB 3.93Å; Q132-H160 HydrophobicContact CG-CB 3.88Å; V158-H160 PolarHBondContact O-N 2.81Å; H160-N162 WeakPolarHBondContact CB-OD1 3.4Å; H160-N162 PolarHBondContact O-N 2.63Å; H160-N162 VanDerWaalsContact O-N 3.16Å; H160-V163 HydrophobicContact CB-CG2 4.28Å; H160-V163 WeakPolarHBondContact O-CB 3.24Å; H160-V163 PolarHBondContact O-N 3.32Å
161P98.1Very high97.9Very high121 Ų12137.5 Ų37.579%0.78620%0.201SC*.THydrogen-bonded Turntrans-60.9-22.2-179.9-25.735.5000115.6V163P161-V163 PolarHBondContact O-N 2.71Å
162N97.8Very high97.8Very high26 Ų2637.7 Ų37.714%0.13920%0.201CC..THydrogen-bonded Turntrans-78-6.417571.2-39.2000113.7L131 Q132 I136 L138 H160L131-N162 PolarHBondContact O-ND2 2.94Å; Q132-N162 PolarHBondContact N-ND2 2.84Å; Q132-N162 PolarHBondContact OE1-OD1 2.96Å; I136-N162 PolarHBondContact O-ND2 3.1Å; L138-N162 PolarHBondContact N-O 2.91Å; H160-N162 WeakPolarHBondContact CB-OD1 3.4Å; H160-N162 PolarHBondContact O-N 2.63Å; H160-N162 VanDerWaalsContact O-N 3.16Å
163V98.4Very high97.8Very high12 Ų1239.7 Ų39.77%0.07321%0.212CC..EExtended strand (participates in β ladder)trans-92.5125.2-179.2-1740000110F128 L138 I140 I153 F159 H160 P161 V165F128-V163 HydrophobicContact CD1-CG2 4.2Å; F128-V163 HydrophobicContact CE1-CG2 4.42Å; L138-V163 HydrophobicContact CB-CG2 4.38Å; L138-V163 HydrophobicContact CD2-CG1 4.32Å; L138-V163 HydrophobicContact CD2-CG2 4.14Å; L138-V163 HydrophobicContact CG-CG1 4.44Å; L138-V163 CarbonylContact O-C 3.48Å; L138-V163 WeakPolarHBondContact O-CA 3.36Å; I140-V163 HydrophobicContact CD1-CG1 3.68Å; I140-V163 HydrophobicContact CG1-CG1 4.02Å; I153-V163 HydrophobicContact CD1-CG1 4.3Å; F159-V163 HydrophobicContact CD2-CB 3.97Å; F159-V163 HydrophobicContact CD2-CG1 4.14Å; F159-V163 HydrophobicContact CE2-CB 4.09Å; F159-V163 HydrophobicContact CE2-CG1 4.09Å; H160-V163 HydrophobicContact CB-CG2 4.28Å; H160-V163 WeakPolarHBondContact O-CB 3.24Å; H160-V163 PolarHBondContact O-N 3.32Å; P161-V163 PolarHBondContact O-N 2.71Å; V163-V165 HydrophobicContact CG1-CG2 4.44Å
164K97.2Very high97.7Very high77 Ų7749.5 Ų49.534%0.33526%0.258SS..EExtended strand (participates in β ladder)trans-116.2144170.4-167.2171.9-171.4169.60109.6L138 L139 I140 F166 H201L138-K164 PolarHBondContact O-N 2.82Å; L139-K164 CarbonylContact C-O 3.49Å; L139-K164 WeakPolarHBondContact CA-O 3.48Å; L139-K164 HydrophobicContact CD1-CB 4.13Å; L139-K164 HydrophobicContact CD1-CG 4.26Å; I140-K164 PolarHBondContact N-O 3Å; K164-F166 HydrophobicContact CD-CE1 4.15Å; K164-F166 HydrophobicContact CD-CZ 4.24Å; K164-F166 HydrophobicContact CG-CE1 4.36Å; K164-H201 WeakPolarHBondContact CD-CE1 3.47Å; K164-H201 WeakPolarHBondContact CD-ND1 3.08Å; K164-H201 PolarHBondContact NZ-ND1 2.86Å
165V97.1Very high97.6Very high11 Ų1148.7 Ų48.77%0.06727%0.267CS..EExtended strand (participates in β ladder)trans-121.3127.9-178.4179.30000109.9I140 L149 E150 I153 F159 V163 Y169I140-V165 HydrophobicContact CB-CG2 4.27Å; I140-V165 HydrophobicContact CD1-CG2 4.42Å; I140-V165 CarbonylContact O-C 3.56Å; I140-V165 WeakPolarHBondContact O-CA 3.21Å; L149-V165 HydrophobicContact CD1-CG1 4.21Å; L149-V165 HydrophobicContact CD2-CG1 3.83Å; L149-V165 HydrophobicContact CD2-CG2 3.84Å; E150-V165 HydrophobicContact CG-CG2 4.23Å; I153-V165 HydrophobicContact CD1-CG2 4.46Å; F159-V165 HydrophobicContact CE2-CG2 4.32Å; F159-V165 HydrophobicContact CZ-CG2 4.22Å; V163-V165 HydrophobicContact CG1-CG2 4.44Å; V165-Y169 VanDerWaalsContact CB-OH 3.27Å; V165-Y169 WeakPolarHBondContact CB-OH 3.36Å; V165-Y169 WeakPolarHBondContact CG1-OH 3.41Å; V165-Y169 PolarHBondContact O-OH 3.17Å
166F95Very high97.6Very high23 Ų2345.7 Ų45.710%0.10126%0.259CS..EExtended strand (participates in β ladder)trans-114.3116.5165.2-68.7-20.4000108.5L139 I140 F141 S142 K164 N198 H201L139-F166 HydrophobicContact CD1-CB 4.47Å; L139-F166 HydrophobicContact CD1-CD1 4.35Å; L139-F166 HydrophobicContact CD1-CD2 3.61Å; L139-F166 HydrophobicContact CD1-CE2 3.78Å; L139-F166 HydrophobicContact CD1-CG 3.88Å; L139-F166 HydrophobicContact CD1-CZ 4.25Å; L139-F166 HydrophobicContact CD2-CD2 4Å; L139-F166 HydrophobicContact CD2-CE2 4.01Å; L139-F166 HydrophobicContact CG-CD2 4.34Å; I140-F166 PolarHBondContact O-N 3.1Å; F141-F166 CarbonylContact C-O 3.57Å; F141-F166 WeakPolarHBondContact CA-O 3.36Å; F141-F166 HydrophobicContact CD2-CB 3.74Å; F141-F166 HydrophobicContact CE2-CB 4.17Å; F141-F166 HydrophobicContact CG-CB 4.25Å; S142-F166 PolarHBondContact N-O 3.14Å; K164-F166 HydrophobicContact CD-CE1 4.15Å; K164-F166 HydrophobicContact CD-CZ 4.24Å; K164-F166 HydrophobicContact CG-CE1 4.36Å; F166-N198 HydrophobicContact CD2-CB 4.17Å; F166-N198 HydrophobicContact CE2-CB 3.32Å; F166-N198 HydrophobicContact CZ-CB 3.57Å; F166-N198 VanDerWaalsContact CZ-CG 3.42Å; F166-N198 WeakPolarHBondContact CZ-OD1 3.23Å; F166-H201 HydrophobicContact CE2-CB 4.48Å; F166-H201 AromaticContact CE2-CD2 3.99Å; F166-H201 HydrophobicContact CZ-CB 3.92Å; F166-H201 AromaticContact CZ-CD2 3.95Å
167S96Very high97.6Very high10 Ų1045.1 Ų45.17%0.0725%0.252CS..EExtended strand (participates in β ladder)trans-162.5-179.7-177.7-159.90000111.8S142 G144 G146 Y169S142-S167 VanDerWaalsContact O-CA 3.24Å; S142-S167 WeakPolarHBondContact O-CA 3.46Å; S142-S167 WeakPolarHBondContact O-CB 3.45Å; S142-S167 PolarHBondContact O-OG 3.21Å; G144-S167 PolarHBondContact O-OG 2.91Å; G146-S167 PolarHBondContact N-OG 2.8Å; S167-Y169 WeakPolarHBondContact O-CD2 3.4Å; S167-Y169 PolarHBondContact O-N 3.15Å; S167-Y169 VanDerWaalsContact O-N 3.15Å
168N96.4Very high97.5Very high2 Ų242.8 Ų42.81%0.01123%0.228CC..EExtended strand (participates in β ladder)trans-78.298.1175.6-57.7-64.7000109.5A143 G144 G146 F181 I186A143-N168 PolarHBondContact O-ND2 2.87Å; G144-N168 VanDerWaalsContact O-CB 3.28Å; G144-N168 WeakPolarHBondContact O-CB 3.41Å; G144-N168 PolarHBondContact O-N 3.03Å; G144-N168 PolarHBondContact O-ND2 2.85Å; G146-N168 PolarHBondContact N-O 2.75Å; N168-F181 HydrophobicContact CB-CD1 4.07Å; N168-F181 HydrophobicContact CB-CE1 4.44Å; N168-I186 PolarHBondContact ND2-O 3.23Å; N168-I186 PolarHBondContact OD1-N 3.14Å
169Y97.5Very high97.5Very high47 Ų4747.8 Ų47.818%0.18425%0.249CC..  trans-84139177.6-76.7-85.2000111.8D147 E150 V165 S167 F181 K182D147-Y169 WeakPolarHBondContact OD2-CA 3.37Å; E150-Y169 HydrophobicContact CG-CE1 4.43Å; E150-Y169 WeakPolarHBondContact OE1-CE1 3.32Å; E150-Y169 PolarHBondContact OE1-OH 2.87Å; V165-Y169 VanDerWaalsContact CB-OH 3.27Å; V165-Y169 WeakPolarHBondContact CB-OH 3.36Å; V165-Y169 WeakPolarHBondContact CG1-OH 3.41Å; V165-Y169 PolarHBondContact O-OH 3.17Å; S167-Y169 WeakPolarHBondContact O-CD2 3.4Å; S167-Y169 PolarHBondContact O-N 3.15Å; S167-Y169 VanDerWaalsContact O-N 3.15Å; Y169-F181 CarbonylContact O-C 3.58Å; Y169-F181 WeakPolarHBondContact O-CA 3.24Å; Y169-K182 PolarHBondContact O-N 3.06Å
170M97.8Very high97.4Very high0 Ų047.1 Ų47.10%025%0.253CS..EExtended strand (participates in β ladder)trans-69.8140.2171.5-69.4-172.8-175.200111L49 L109 L145 D147 F172 L178 F181 K182L49-M170 HydrophobicContact CD2-CE 3.52Å; L109-M170 HydrophobicContact CD1-SD 4.28Å; L145-M170 HydrophobicContact CD1-CE 4.01Å; L145-M170 HydrophobicContact CD2-CE 4.2Å; D147-M170 WeakPolarHBondContact OD2-CB 3.4Å; D147-M170 PolarHBondContact OD2-N 3.24Å; M170-F172 HydrophobicContact CB-CD2 4.16Å; M170-F172 HydrophobicContact CB-CE1 4.37Å; M170-F172 HydrophobicContact CB-CE2 3.39Å; M170-F172 HydrophobicContact CB-CZ 3.51Å; M170-F172 HydrophobicContact CG-CE2 4.48Å; M170-F172 HydrophobicContact CG-CZ 4.19Å; M170-F172 HydrophobicContact SD-CE1 4.23Å; M170-F172 HydrophobicContact SD-CE2 4.44Å; M170-F172 HydrophobicContact SD-CZ 3.63Å; M170-L178 HydrophobicContact CB-CD1 3.62Å; M170-L178 HydrophobicContact CG-CD1 3.7Å; M170-L178 HydrophobicContact SD-CD1 4.01Å; M170-L178 HydrophobicContact SD-CD2 4.25Å; M170-F181 HydrophobicContact CE-CZ 4.3Å; M170-F181 HydrophobicContact CG-CD1 4.43Å; M170-F181 HydrophobicContact CG-CE1 3.84Å; M170-F181 HydrophobicContact CG-CZ 4.09Å; M170-K182 VanDerWaalsContact O-CE 3.23Å; M170-K182 WeakPolarHBondContact O-CE 3.48Å
171D98.1Very high97.3Very high47 Ų4747.2 Ų47.225%0.25125%0.253SS..EExtended strand (participates in β ladder)trans-105120.2168.2-161.821.3000109.5K179 A180 K182D171-K179 VanDerWaalsContact O-CG 3.23Å; D171-K179 WeakPolarHBondContact O-CG 3.35Å; D171-K179 PolarHBondContact O-N 3.2Å; D171-K179 WeakPolarHBondContact OD2-CE 3.41Å; D171-K179 IonicContact OD2-NZ 3.31Å; D171-K179 PolarHBondContact OD2-NZ 3.19Å; D171-A180 WeakPolarHBondContact CA-O 3.37Å; D171-A180 HydrophobicContact CB-CB 4.18Å; D171-A180 PolarHBondContact N-O 3.48Å; D171-A180 PolarHBondContact O-N 3.47Å; D171-K182 HydrophobicContact CB-CG 3.72Å; D171-K182 WeakPolarHBondContact OD1-CE 3.33Å
172F97.9Very high97.1Very high25 Ų2546.5 Ų46.511%0.1124%0.238CC..EExtended strand (participates in β ladder)trans-104.7146.5-177.9-61.1-86.9000109.8K106 L109 M170 G176 V177 L178K106-F172 HydrophobicContact CB-CD1 3.71Å; K106-F172 HydrophobicContact CB-CD2 4.21Å; K106-F172 HydrophobicContact CB-CE1 3.59Å; K106-F172 HydrophobicContact CB-CE2 4.07Å; K106-F172 HydrophobicContact CB-CG 4.03Å; K106-F172 HydrophobicContact CB-CZ 3.78Å; K106-F172 HydrophobicContact CD-CD2 3.73Å; K106-F172 HydrophobicContact CD-CE2 3.78Å; K106-F172 HydrophobicContact CD-CG 4.2Å; K106-F172 HydrophobicContact CD-CZ 4.33Å; K106-F172 HydrophobicContact CG-CD1 4.44Å; K106-F172 HydrophobicContact CG-CD2 4.1Å; K106-F172 HydrophobicContact CG-CE1 4.17Å; K106-F172 HydrophobicContact CG-CE2 3.76Å; K106-F172 HydrophobicContact CG-CG 4.42Å; K106-F172 HydrophobicContact CG-CZ 3.81Å; L109-F172 HydrophobicContact CD1-CZ 3.97Å; M170-F172 HydrophobicContact CB-CD2 4.16Å; M170-F172 HydrophobicContact CB-CE1 4.37Å; M170-F172 HydrophobicContact CB-CE2 3.39Å; M170-F172 HydrophobicContact CB-CZ 3.51Å; M170-F172 HydrophobicContact CG-CE2 4.48Å; M170-F172 HydrophobicContact CG-CZ 4.19Å; M170-F172 HydrophobicContact SD-CE1 4.23Å; M170-F172 HydrophobicContact SD-CE2 4.44Å; M170-F172 HydrophobicContact SD-CZ 3.63Å; F172-G176 WeakPolarHBondContact CD1-O 3.45Å; F172-V177 CarbonylContact C-O 3.53Å; F172-V177 VanDerWaalsContact CA-O 3.29Å; F172-V177 WeakPolarHBondContact CA-O 3.44Å; F172-L178 HydrophobicContact CD1-CB 4.25Å; F172-L178 HydrophobicContact CE1-CB 4.1Å
173D97.8Very high96.7Very high54 Ų5449 Ų4929%0.28927%0.27SS..  trans-75.2178.8170.670.420.6000112.1T175 G176 V177 K179D173-T175 PolarHBondContact O-N 3.12Å; D173-T175 VanDerWaalsContact O-N 3.12Å; D173-T175 VanDerWaalsContact OD1-CA 3.31Å; D173-T175 WeakPolarHBondContact OD1-CA 3.48Å; D173-T175 WeakPolarHBondContact OD1-CB 3.35Å; D173-T175 PolarHBondContact OD1-N 2.98Å; D173-T175 PolarHBondContact OD1-OG1 3.03Å; D173-T175 PolarHBondContact OD2-OG1 3.04Å; D173-G176 PolarHBondContact O-N 2.9Å; D173-G176 PolarHBondContact OD1-N 3.08Å; D173-G176 VanDerWaalsContact OD1-N 3.13Å; D173-V177 PolarHBondContact N-O 3.36Å; D173-V177 PolarHBondContact OD1-N 3.31Å; D173-K179 HydrophobicContact CB-CD 4.03Å; D173-K179 HydrophobicContact CB-CG 4.47Å
174E97.1Very high96.2Very high206 Ų20655 Ų5596%0.96330%0.297SS*.THydrogen-bonded Turntrans-61.1-19.7-179.7-61.6177.8-174.400113.3
175T96.9Very high95.9Very high107 Ų10753 Ų5366%0.65629%0.29SS*.THydrogen-bonded Turntrans-92.1-0.1177.173.80000112.9D173 V177D173-T175 PolarHBondContact O-N 3.12Å; D173-T175 VanDerWaalsContact O-N 3.12Å; D173-T175 VanDerWaalsContact OD1-CA 3.31Å; D173-T175 WeakPolarHBondContact OD1-CA 3.48Å; D173-T175 WeakPolarHBondContact OD1-CB 3.35Å; D173-T175 PolarHBondContact OD1-N 2.98Å; D173-T175 PolarHBondContact OD1-OG1 3.03Å; D173-T175 PolarHBondContact OD2-OG1 3.04Å; T175-V177 WeakPolarHBondContact OG1-CG2 3.13Å
176G97.4Very high95.6Very high23 Ų2353.4 Ų53.424%0.23729%0.292CS..SBendtrans80.219.8-17900000114R105 K106 F172 D173R105-G176 WeakPolarHBondContact CA-O 3.38Å; K106-G176 PolarHBondContact N-O 3.28Å; F172-G176 WeakPolarHBondContact CD1-O 3.45Å; D173-G176 PolarHBondContact O-N 2.9Å; D173-G176 PolarHBondContact OD1-N 3.08Å; D173-G176 VanDerWaalsContact OD1-N 3.13Å
177V98.1Very high95.3Very high14 Ų1452.4 Ų52.49%0.08529%0.287CS..BIsolated β-bridgetrans-99.6136.2179.1175.90000110.4R103 R105 F172 D173 T175 K179R103-V177 HydrophobicContact CB-CG1 3.75Å; R103-V177 HydrophobicContact CG-CG1 4.38Å; R105-V177 HydrophobicContact CG-CG2 4.31Å; F172-V177 CarbonylContact C-O 3.53Å; F172-V177 VanDerWaalsContact CA-O 3.29Å; F172-V177 WeakPolarHBondContact CA-O 3.44Å; D173-V177 PolarHBondContact N-O 3.36Å; D173-V177 PolarHBondContact OD1-N 3.31Å; T175-V177 WeakPolarHBondContact OG1-CG2 3.13Å; V177-K179 PolarHBondContact O-N 3.42Å
178L98Very high94.7Very high4 Ų453.6 Ų53.62%0.02129%0.292CS..EExtended strand (participates in β ladder)trans-58.6123.2178.3176.565.5000110.2L99 V100 I104 M170 F172 A180 F181L99-L178 HydrophobicContact CB-CD2 4.27Å; V100-L178 HydrophobicContact CG2-CD2 4.25Å; V100-L178 HydrophobicContact CG2-CG 4.08Å; I104-L178 HydrophobicContact CB-CB 4.02Å; I104-L178 HydrophobicContact CB-CD2 4.21Å; I104-L178 HydrophobicContact CD1-CD2 3.88Å; I104-L178 HydrophobicContact CG1-CD2 4.25Å; I104-L178 WeakPolarHBondContact O-CB 3.35Å; I104-L178 PolarHBondContact O-N 3.38Å; M170-L178 HydrophobicContact CB-CD1 3.62Å; M170-L178 HydrophobicContact CG-CD1 3.7Å; M170-L178 HydrophobicContact SD-CD1 4.01Å; M170-L178 HydrophobicContact SD-CD2 4.25Å; F172-L178 HydrophobicContact CD1-CB 4.25Å; F172-L178 HydrophobicContact CE1-CB 4.1Å; L178-A180 WeakPolarHBondContact CD1-O 3.3Å; L178-F181 HydrophobicContact CD2-CE2 4.43Å
179K97.8Very high94Very high106 Ų10656.2 Ų56.246%0.46130%0.303SS..EExtended strand (participates in β ladder)trans-118-27177.863.2171.4-173.1-173.90113.6V100 D171 D173 V177V100-K179 WeakPolarHBondContact CG1-O 3.18Å; D171-K179 VanDerWaalsContact O-CG 3.23Å; D171-K179 WeakPolarHBondContact O-CG 3.35Å; D171-K179 PolarHBondContact O-N 3.2Å; D171-K179 WeakPolarHBondContact OD2-CE 3.41Å; D171-K179 IonicContact OD2-NZ 3.31Å; D171-K179 PolarHBondContact OD2-NZ 3.19Å; D173-K179 HydrophobicContact CB-CD 4.03Å; D173-K179 HydrophobicContact CB-CG 4.47Å; V177-K179 PolarHBondContact O-N 3.42Å
180A97.2Very high93.5Very high37 Ų3755.1 Ų55.131%0.30630%0.3SS..EExtended strand (participates in β ladder)trans-164.3-175.8-178.600000111.2D171 L178D171-A180 WeakPolarHBondContact CA-O 3.37Å; D171-A180 HydrophobicContact CB-CB 4.18Å; D171-A180 PolarHBondContact N-O 3.48Å; D171-A180 PolarHBondContact O-N 3.47Å; L178-A180 WeakPolarHBondContact CD1-O 3.3Å
181F96.3Very high93Very high40 Ų4055.2 Ų55.218%0.17530%0.3CS..EExtended strand (participates in β ladder)trans-113.1145.7165.7-77.5-99.5000109.5H96 L99 L145 N168 Y169 M170 L178H96-F181 HydrophobicContact CB-CD2 3.63Å; H96-F181 HydrophobicContact CB-CE2 3.6Å; H96-F181 HydrophobicContact CB-CG 4.48Å; H96-F181 HydrophobicContact CB-CZ 4.43Å; H96-F181 AromaticContact CD2-CE2 3.81Å; H96-F181 AromaticContact CD2-CZ 3.76Å; H96-F181 AromaticContact CE1-CD1 3.98Å; H96-F181 AromaticContact CG-CD2 3.61Å; H96-F181 AromaticContact CG-CE2 3.54Å; H96-F181 AromaticContact CG-CZ 3.95Å; H96-F181 AromaticContact ND1-CD2 3.72Å; H96-F181 AromaticContact ND1-CG 3.7Å; L99-F181 HydrophobicContact CD1-CZ 4.21Å; L145-F181 HydrophobicContact CD2-CE1 3.45Å; L145-F181 VanDerWaalsContact CD2-CE1 3.45Å; L145-F181 HydrophobicContact CD2-CZ 3.79Å; N168-F181 HydrophobicContact CB-CD1 4.07Å; N168-F181 HydrophobicContact CB-CE1 4.44Å; Y169-F181 CarbonylContact O-C 3.58Å; Y169-F181 WeakPolarHBondContact O-CA 3.24Å; M170-F181 HydrophobicContact CE-CZ 4.3Å; M170-F181 HydrophobicContact CG-CD1 4.43Å; M170-F181 HydrophobicContact CG-CE1 3.84Å; M170-F181 HydrophobicContact CG-CZ 4.09Å; L178-F181 HydrophobicContact CD2-CE2 4.43Å
182K93.7Very high92.4Very high106 Ų10659.1 Ų59.146%0.46131%0.311SS..  trans-84.7145.7-176-62.1-180-179164.30111.4Y169 M170 D171Y169-K182 PolarHBondContact O-N 3.06Å; M170-K182 VanDerWaalsContact O-CE 3.23Å; M170-K182 WeakPolarHBondContact O-CE 3.48Å; D171-K182 HydrophobicContact CB-CG 3.72Å; D171-K182 WeakPolarHBondContact OD1-CE 3.33Å
183G89.4Confident91.6Very high79 Ų7961.8 Ų61.881%0.81432%0.324SS*.SBendtrans67.8-158.2170.500000113.3
184E88.3Confident90.8Very high136 Ų13659.6 Ų59.664%0.63631%0.314SS*.SBendtrans-83.8137.7176.1-63.1-171.1177.100110.4I186 L197E184-I186 PolarHBondContact O-N 3.25Å; E184-L197 WeakPolarHBondContact OE2-CD1 3.46Å
185L90.9Very high89.9Confident37 Ų3749.8 Ų49.819%0.19427%0.269CS..PPolyproline II helixtrans-58129.1176.4168.670.5000110W92 H96 N190W92-L185 HydrophobicContact CB-CD1 3.72Å; W92-L185 HydrophobicContact CB-CD2 3.68Å; W92-L185 HydrophobicContact CB-CG 4.3Å; W92-L185 HydrophobicContact CG-CD1 4.38Å; H96-L185 VanDerWaalsContact CE1-CD1 3.5Å; H96-L185 WeakPolarHBondContact CE1-CD1 3.32Å; L185-N190 PolarHBondContact O-ND2 3.3Å
186I89.8Confident89.1Confident19 Ų1948.9 Ų48.910%0.09726%0.259CS..PPolyproline II helixtrans-101.3125.4170-59.3160000108.2F141 A143 N168 E184 N190 K191F141-I186 HydrophobicContact CD2-CG2 4.48Å; F141-I186 HydrophobicContact CE2-CD1 3.89Å; F141-I186 HydrophobicContact CE2-CG1 4.27Å; F141-I186 HydrophobicContact CE2-CG2 3.84Å; A143-I186 HydrophobicContact CB-CG2 4.21Å; N168-I186 PolarHBondContact ND2-O 3.23Å; N168-I186 PolarHBondContact OD1-N 3.14Å; E184-I186 PolarHBondContact O-N 3.25Å; I186-N190 WeakPolarHBondContact CA-OD1 3.33Å; I186-K191 HydrophobicContact CG2-CG 4.28Å
187H88.5Confident88.3Confident1 Ų152.6 Ų52.61%0.00527%0.273CS..  trans-134.8174.8173.164.984.6000110.3Y189 N190H187-Y189 PolarHBondContact ND1-N 3.44Å; H187-Y189 PolarHBondContact O-N 2.7Å; H187-N190 VanDerWaalsContact CD2-CG 3.4Å; H187-N190 PolarHBondContact CD2-ND2 3.36Å; H187-N190 PolarHBondContact CD2-OD1 2.99Å; H187-N190 PolarHBondContact N-OD1 2.89Å; H187-N190 PolarHBondContact NE2-ND2 2.9Å; H187-N190 PolarHBondContact O-N 2.78Å; H187-N190 PolarHBondContact O-OD1 3.38Å
188I84.5Confident87.5Confident36 Ų3654.5 Ų54.519%0.18528%0.283CS..THydrogen-bonded Turntrans-56.8-21.5-172-163.9170.3000115.2E74 G219E74-I188 HydrophobicContact CG-CG2 4.05Å; I188-G219 WeakPolarHBondContact O-CA 3.44Å
189Y82.1Confident86.5Confident57 Ų5757.8 Ų57.822%0.22430%0.303CS..THydrogen-bonded Turntrans-108.3-2-175.4-65.2-62000114.8E74 A81 K84 M88 H187E74-Y189 HydrophobicContact CG-CE2 4.08Å; E74-Y189 PolarHBondContact O-OH 3.48Å; A81-Y189 HydrophobicContact CB-CD1 4.27Å; K84-Y189 HydrophobicContact CB-CD2 4.07Å; K84-Y189 HydrophobicContact CB-CE2 3.81Å; K84-Y189 HydrophobicContact CD-CE1 4.41Å; K84-Y189 HydrophobicContact CD-CE2 3.74Å; K84-Y189 WeakPolarHBondContact CD-OH 3.19Å; K84-Y189 HydrophobicContact CG-CE2 4.45Å; K84-Y189 PolarHBondContact NZ-OH 2.98Å; M88-Y189 HydrophobicContact CG-CD2 3.61Å; M88-Y189 HydrophobicContact CG-CE2 3.88Å; M88-Y189 HydrophobicContact SD-CE2 4.43Å; H187-Y189 PolarHBondContact ND1-N 3.44Å; H187-Y189 PolarHBondContact O-N 2.7Å
190N85.3Confident85.7Confident23 Ų2354.8 Ų54.812%0.12330%0.303CS..  trans-123.819.4-178.277.8-16.4000114.4L185 I186 H187 R192 E193 G194L185-N190 PolarHBondContact O-ND2 3.3Å; I186-N190 WeakPolarHBondContact CA-OD1 3.33Å; H187-N190 VanDerWaalsContact CD2-CG 3.4Å; H187-N190 PolarHBondContact CD2-ND2 3.36Å; H187-N190 PolarHBondContact CD2-OD1 2.99Å; H187-N190 PolarHBondContact N-OD1 2.89Å; H187-N190 PolarHBondContact NE2-ND2 2.9Å; H187-N190 PolarHBondContact O-N 2.78Å; H187-N190 PolarHBondContact O-OD1 3.38Å; N190-R192 PolarHBondContact O-N 2.79Å; N190-E193 VanDerWaalsContact C-OE2 3.31Å; N190-E193 WeakPolarHBondContact CA-OE2 3.49Å; N190-E193 WeakPolarHBondContact CB-OE2 3.24Å; N190-E193 PolarHBondContact O-N 3.35Å; N190-G194 PolarHBondContact O-N 3.47Å; N190-G194 VanDerWaalsContact O-N 3.14Å
191K87.6Confident85Confident3 Ų353.9 Ų53.91%0.01329%0.292CS..Hα-helixtrans-61.3-28174-66.9-161179.1-174.30112D27 F141 I186 G194 A195 D220 M223D27-K191 IonicContact OD1-NZ 3.69Å; D27-K191 PolarHBondContact OD1-NZ 2.89Å; F141-K191 HydrophobicContact CE1-CB 4.2Å; F141-K191 WeakPolarHBondContact CE1-O 3.33Å; F141-K191 HydrophobicContact CZ-CB 4.11Å; F141-K191 HydrophobicContact CZ-CG 4.48Å; F141-K191 WeakPolarHBondContact CZ-O 3.1Å; F141-K191 PolarHBondContact O-NZ 2.88Å; I186-K191 HydrophobicContact CG2-CG 4.28Å; K191-G194 PolarHBondContact O-N 3.14Å; K191-A195 WeakPolarHBondContact O-CB 3.31Å; K191-A195 PolarHBondContact O-N 3.26Å; K191-D220 WeakPolarHBondContact CE-OD1 3.45Å; K191-D220 IonicContact NZ-OD1 2.75Å; K191-D220 PolarHBondContact NZ-OD1 3.35Å; K191-M223 HydrophobicContact CB-CG 4Å; K191-M223 HydrophobicContact CD-CG 3.54Å; K191-M223 HydrophobicContact CD-SD 3.61Å; K191-M223 HydrophobicContact CG-CG 4.42Å; K191-M223 PolarHBondContact NZ-SD 3.13Å; K191-M223 VanDerWaalsContact NZ-SD 3.44Å
192R85.8Confident84.4Confident129 Ų12952 Ų5249%0.48728%0.284SS..Hα-helixtrans-58.5-53.2172.4-173.7173.9-169.9-148-6.3111.8N190 G194 A195 L196 T222 D225N190-R192 PolarHBondContact O-N 2.79Å; R192-G194 VanDerWaalsContact C-N 3.33Å; R192-G194 PolarHBondContact O-N 3.46Å; R192-A195 WeakPolarHBondContact O-CB 3.5Å; R192-A195 PolarHBondContact O-N 2.93Å; R192-A195 VanDerWaalsContact O-N 3.13Å; R192-L196 HydrophobicContact CG-CD1 4.23Å; R192-L196 WeakPolarHBondContact O-CG 3.11Å; R192-L196 PolarHBondContact O-N 3.45Å; R192-T222 HydrophobicContact CB-CG2 4.36Å; R192-T222 PolarHBondContact N-OG1 3.2Å; R192-D225 WeakPolarHBondContact CD-OD2 3.34Å; R192-D225 HydrophobicContact CG-CB 4.15Å; R192-D225 WeakPolarHBondContact CG-OD2 3.33Å; R192-D225 IonicContact CZ-OD2 2.85Å; R192-D225 IonicContact NE-OD2 2.88Å; R192-D225 PolarHBondContact NE-OD2 3.33Å
193E82.1Confident83.9Confident81 Ų8151.4 Ų51.438%0.37928%0.282SS..Hα-helixtrans-60.1-46179.5-69.972.7-166.400110N190 A195 L196 L197N190-E193 VanDerWaalsContact C-OE2 3.31Å; N190-E193 WeakPolarHBondContact CA-OE2 3.49Å; N190-E193 WeakPolarHBondContact CB-OE2 3.24Å; N190-E193 PolarHBondContact O-N 3.35Å; E193-A195 VanDerWaalsContact C-N 3.3Å; E193-A195 PolarHBondContact O-N 2.84Å; E193-L196 CarbonylContact O-C 3.6Å; E193-L196 PolarHBondContact O-N 3.05Å; E193-L196 VanDerWaalsContact O-N 3.07Å; E193-L197 VanDerWaalsContact O-CG 3.31Å; E193-L197 WeakPolarHBondContact O-CG 3.2Å; E193-L197 PolarHBondContact O-N 2.96Å
194G80.3Confident83.7Confident8 Ų854.3 Ų54.38%0.08228%0.275CS..Hα-helixtrans-62-35.2175.500000113.2N190 K191 R192 L196 L197 N198N190-G194 PolarHBondContact O-N 3.47Å; N190-G194 VanDerWaalsContact O-N 3.14Å; K191-G194 PolarHBondContact O-N 3.14Å; R192-G194 VanDerWaalsContact C-N 3.33Å; R192-G194 PolarHBondContact O-N 3.46Å; G194-L196 VanDerWaalsContact C-N 3.34Å; G194-L197 PolarHBondContact O-N 3.21Å; G194-N198 PolarHBondContact O-N 3.39Å; G194-N198 PolarHBondContact O-ND2 2.96Å
195A79.1Confident83.7Confident0 Ų049 Ų490%025%0.25CS..Hα-helixtrans-62.7-43.1172.400000111.2F141 K191 R192 E193 N198 F202F141-A195 HydrophobicContact CE1-CB 3.99Å; K191-A195 WeakPolarHBondContact O-CB 3.31Å; K191-A195 PolarHBondContact O-N 3.26Å; R192-A195 WeakPolarHBondContact O-CB 3.5Å; R192-A195 PolarHBondContact O-N 2.93Å; R192-A195 VanDerWaalsContact O-N 3.13Å; E193-A195 VanDerWaalsContact C-N 3.3Å; E193-A195 PolarHBondContact O-N 2.84Å; A195-N198 PolarHBondContact O-N 3.21Å; A195-F202 HydrophobicContact CB-CE2 4.36Å; A195-F202 WeakPolarHBondContact O-CD2 3.45Å; A195-F202 WeakPolarHBondContact O-CE2 3.35Å
196L79.3Confident83.5Confident88 Ų8853.5 Ų53.546%0.46127%0.269SS..Hα-helixtrans-73-26.5-178.9-65.4173.4000113.5R192 E193 G194 T199R192-L196 HydrophobicContact CG-CD1 4.23Å; R192-L196 WeakPolarHBondContact O-CG 3.11Å; R192-L196 PolarHBondContact O-N 3.45Å; E193-L196 CarbonylContact O-C 3.6Å; E193-L196 PolarHBondContact O-N 3.05Å; E193-L196 VanDerWaalsContact O-N 3.07Å; G194-L196 VanDerWaalsContact C-N 3.34Å; L196-T199 WeakPolarHBondContact O-CG2 3.34Å
197L81.5Confident83.5Confident101 Ų10155.5 Ų55.553%0.52928%0.284SS..Hα-helixtrans-76.1-25.9176.5-71.3168.5000112.5E184 E193 G194 T199E184-L197 WeakPolarHBondContact OE2-CD1 3.46Å; E193-L197 VanDerWaalsContact O-CG 3.31Å; E193-L197 WeakPolarHBondContact O-CG 3.2Å; E193-L197 PolarHBondContact O-N 2.96Å; G194-L197 PolarHBondContact O-N 3.21Å; L197-T199 VanDerWaalsContact C-N 3.29Å; L197-T199 PolarHBondContact O-N 2.85Å
198N80.7Confident83.7Confident54 Ų5457.2 Ų57.229%0.28929%0.291SS..THydrogen-bonded Turntrans-92.535.8-176.1-74.6-73.8000113.6F166 G194 A195 G200 H201 F202F166-N198 HydrophobicContact CD2-CB 4.17Å; F166-N198 HydrophobicContact CE2-CB 3.32Å; F166-N198 HydrophobicContact CZ-CB 3.57Å; F166-N198 VanDerWaalsContact CZ-CG 3.42Å; F166-N198 WeakPolarHBondContact CZ-OD1 3.23Å; G194-N198 PolarHBondContact O-N 3.39Å; G194-N198 PolarHBondContact O-ND2 2.96Å; A195-N198 PolarHBondContact O-N 3.21Å; N198-G200 PolarHBondContact O-N 2.97Å; N198-G200 VanDerWaalsContact O-N 3.14Å; N198-H201 WeakPolarHBondContact O-CB 3.47Å; N198-H201 PolarHBondContact O-N 3.48Å; N198-F202 HydrophobicContact CB-CE2 4.28Å; N198-F202 WeakPolarHBondContact O-CD2 3.48Å; N198-F202 PolarHBondContact O-N 2.57Å
199T75.8Confident84.1Confident72 Ų7256.7 Ų56.744%0.44229%0.287SS..Hα-helixtrans-51.7-38.2-178.950.40000113.7L196 L197 H201 F202 Q203L196-T199 WeakPolarHBondContact O-CG2 3.34Å; L197-T199 VanDerWaalsContact C-N 3.29Å; L197-T199 PolarHBondContact O-N 2.85Å; T199-H201 VanDerWaalsContact C-N 3.28Å; T199-H201 PolarHBondContact O-N 3.43Å; T199-F202 PolarHBondContact O-N 2.68Å; T199-Q203 WeakPolarHBondContact O-CB 3.44Å; T199-Q203 WeakPolarHBondContact O-CG 3.35Å; T199-Q203 PolarHBondContact O-N 2.84Å
200G81.5Confident84.9Confident44 Ų4454 Ų5445%0.45428%0.277SS..Hα-helixtrans-55.9-42.217900000112.8N198 Q203 E204N198-G200 PolarHBondContact O-N 2.97Å; N198-G200 VanDerWaalsContact O-N 3.14Å; G200-Q203 PolarHBondContact O-N 3.2Å; G200-E204 WeakPolarHBondContact O-CG 3.35Å; G200-E204 PolarHBondContact O-N 3.05Å
201H83.1Confident85.5Confident17 Ų1752.9 Ų52.98%0.07927%0.271CS..Hα-helixtrans-67-46.8176.7179.448.7000112.3K164 F166 N198 T199 Q203 E204 L205K164-H201 WeakPolarHBondContact CD-CE1 3.47Å; K164-H201 WeakPolarHBondContact CD-ND1 3.08Å; K164-H201 PolarHBondContact NZ-ND1 2.86Å; F166-H201 HydrophobicContact CE2-CB 4.48Å; F166-H201 AromaticContact CE2-CD2 3.99Å; F166-H201 HydrophobicContact CZ-CB 3.92Å; F166-H201 AromaticContact CZ-CD2 3.95Å; N198-H201 WeakPolarHBondContact O-CB 3.47Å; N198-H201 PolarHBondContact O-N 3.48Å; T199-H201 VanDerWaalsContact C-N 3.28Å; T199-H201 PolarHBondContact O-N 3.43Å; H201-Q203 VanDerWaalsContact C-N 3.25Å; H201-Q203 PolarHBondContact O-N 3.37Å; H201-E204 IonicContact ND1-OE2 3.75Å; H201-E204 WeakPolarHBondContact O-CB 3.26Å; H201-E204 PolarHBondContact O-N 3.16Å; H201-L205 PolarHBondContact O-N 2.97Å
202F82.8Confident86Confident2 Ų253 Ų531%0.00927%0.271CS..Hα-helixtrans-68.5-26.3-179.7-67.7-70.7000112.6I25 L139 A195 N198 T199 L205 K206 G226 V227I25-F202 HydrophobicContact CD1-CE1 3.95Å; L139-F202 HydrophobicContact CD2-CE1 4.1Å; L139-F202 HydrophobicContact CD2-CZ 3.75Å; A195-F202 HydrophobicContact CB-CE2 4.36Å; A195-F202 WeakPolarHBondContact O-CD2 3.45Å; A195-F202 WeakPolarHBondContact O-CE2 3.35Å; N198-F202 HydrophobicContact CB-CE2 4.28Å; N198-F202 WeakPolarHBondContact O-CD2 3.48Å; N198-F202 PolarHBondContact O-N 2.57Å; T199-F202 PolarHBondContact O-N 2.68Å; F202-L205 CarbonylContact O-C 3.57Å; F202-L205 PolarHBondContact O-N 3.2Å; F202-K206 PolarHBondContact O-N 3.07Å; F202-K206 VanDerWaalsContact O-N 3.11Å; F202-G226 WeakPolarHBondContact CB-O 3.38Å; F202-G226 VanDerWaalsContact CG-O 3.24Å; F202-G226 WeakPolarHBondContact CG-O 3.35Å; F202-V227 HydrophobicContact CD1-CB 4.42Å; F202-V227 HydrophobicContact CD1-CG2 3.71Å; F202-V227 HydrophobicContact CE1-CG2 3.67Å
203Q83.3Confident86.6Confident92 Ų9246.8 Ų46.843%0.4325%0.248SC..Hα-helixtrans-68.3-39.8172.2-75.2-69.9-17.300112.5T199 G200 H201 L205 K206 H228T199-Q203 WeakPolarHBondContact O-CB 3.44Å; T199-Q203 WeakPolarHBondContact O-CG 3.35Å; T199-Q203 PolarHBondContact O-N 2.84Å; G200-Q203 PolarHBondContact O-N 3.2Å; H201-Q203 VanDerWaalsContact C-N 3.25Å; H201-Q203 PolarHBondContact O-N 3.37Å; Q203-L205 PolarHBondContact O-N 3.41Å; Q203-K206 WeakPolarHBondContact O-CB 3.49Å; Q203-K206 WeakPolarHBondContact O-CG 3.43Å; Q203-K206 PolarHBondContact O-N 3.45Å; Q203-H228 PolarHBondContact NE2-CD2 3.22Å; Q203-H228 PolarHBondContact NE2-NE2 3.27Å
204E85.8Confident87.4Confident141 Ų14143 Ų4366%0.65923%0.231SC*.Hα-helixtrans-60-33.7172.4-68.5166.3178.300111.3G200 H201G200-E204 WeakPolarHBondContact O-CG 3.35Å; G200-E204 PolarHBondContact O-N 3.05Å; H201-E204 IonicContact ND1-OE2 3.75Å; H201-E204 WeakPolarHBondContact O-CB 3.26Å; H201-E204 PolarHBondContact O-N 3.16Å
205L88.4Confident88.2Confident23 Ų2342.7 Ų42.712%0.1223%0.227CC..THydrogen-bonded Turntrans-95.513.1-179.6-58.8-172.2000114.4P137 H201 F202 Q203 S207 R208P137-L205 HydrophobicContact CB-CD1 3.83Å; P137-L205 HydrophobicContact CB-CD2 4.07Å; P137-L205 HydrophobicContact CG-CD1 4.22Å; P137-L205 HydrophobicContact CG-CD2 3.63Å; H201-L205 PolarHBondContact O-N 2.97Å; F202-L205 CarbonylContact O-C 3.57Å; F202-L205 PolarHBondContact O-N 3.2Å; Q203-L205 PolarHBondContact O-N 3.41Å; L205-S207 PolarHBondContact O-N 2.84Å; L205-R208 HydrophobicContact CB-CB 4.49Å; L205-R208 VanDerWaalsContact O-CB 3.3Å; L205-R208 WeakPolarHBondContact O-CB 3.33Å; L205-R208 PolarHBondContact O-N 3.26Å
206K87.1Confident89.1Confident133 Ų13344.3 Ų44.358%0.57824%0.235SC*.THydrogen-bonded Turntrans-56.5-21.6-177.571.3-176.4-179.6-176.30115.2F202 Q203 R208F202-K206 PolarHBondContact O-N 3.07Å; F202-K206 VanDerWaalsContact O-N 3.11Å; Q203-K206 WeakPolarHBondContact O-CB 3.49Å; Q203-K206 WeakPolarHBondContact O-CG 3.43Å; Q203-K206 PolarHBondContact O-N 3.45Å; K206-R208 VanDerWaalsContact C-N 3.3Å
207S89.9Confident89.9Confident60 Ų6040.7 Ų40.742%0.4222%0.218SC..THydrogen-bonded Turntrans-81.4-9.7177.564.10000113.5K21 L205 H209K21-S207 VanDerWaalsContact CD-O 3.27Å; K21-S207 WeakPolarHBondContact CD-O 3.49Å; L205-S207 PolarHBondContact O-N 2.84Å; S207-H209 PolarHBondContact O-CD2 3.33Å
208R92.8Very high90.4Very high38 Ų3839.7 Ų39.714%0.14321%0.212CC..  trans-103.166-173.4-58.8-88.5176.5164.74.4110.1T19 S20 K21 I22 Q23 S135 L205 K206 N210T19-R208 PolarHBondContact O-NH1 2.88Å; S20-R208 WeakPolarHBondContact O-CD 3.43Å; S20-R208 VanDerWaalsContact O-CZ 3.22Å; S20-R208 PolarHBondContact O-NE 2.6Å; S20-R208 PolarHBondContact O-NH1 3.44Å; K21-R208 CarbonylContact O-C 3.59Å; K21-R208 WeakPolarHBondContact O-CA 3.07Å; I22-R208 WeakPolarHBondContact O-CD 3.38Å; I22-R208 PolarHBondContact O-NH1 2.82Å; I22-R208 VanDerWaalsContact O-NH1 3.12Å; Q23-R208 HydrophobicContact CB-CB 4.02Å; Q23-R208 HydrophobicContact CG-CB 4.17Å; Q23-R208 PolarHBondContact NE2-O 3.48Å; S135-R208 PolarHBondContact O-NH1 2.85Å; S135-R208 PolarHBondContact O-NH2 3.13Å; L205-R208 HydrophobicContact CB-CB 4.49Å; L205-R208 VanDerWaalsContact O-CB 3.3Å; L205-R208 WeakPolarHBondContact O-CB 3.33Å; L205-R208 PolarHBondContact O-N 3.26Å; K206-R208 VanDerWaalsContact C-N 3.3Å; R208-N210 VanDerWaalsContact C-N 3.26Å; R208-N210 PolarHBondContact O-N 2.96Å
209H93.2Very high90.8Very high25 Ų2537.7 Ų37.712%0.11620%0.204CC..  trans-79.41.5-170.250.780.2000115.2K21 S207 S229 E231 N232K21-H209 WeakPolarHBondContact CD-NE2 3.19Å; K21-H209 PolarHBondContact O-N 3.29Å; S207-H209 PolarHBondContact O-CD2 3.33Å; H209-S229 VanDerWaalsContact CB-O 3.24Å; H209-S229 WeakPolarHBondContact CB-O 3.2Å; H209-E231 HydrophobicContact CB-CB 4.25Å; H209-E231 HydrophobicContact CB-CG 4Å; H209-E231 VanDerWaalsContact CE1-CD 3.45Å; H209-E231 IonicContact CE1-OE1 3.89Å; H209-E231 IonicContact CE1-OE2 2.68Å; H209-E231 PolarHBondContact CE1-OE2 3.28Å; H209-E231 IonicContact CG-OE2 2.76Å; H209-E231 IonicContact ND1-OE1 2.92Å; H209-E231 IonicContact ND1-OE2 3.83Å; H209-E231 PolarHBondContact ND1-OE2 3Å; H209-E231 PolarHBondContact O-N 3.2Å; H209-N232 PolarHBondContact O-N 3.27Å
210N96.9Very high91.8Very high0 Ų034.3 Ų34.30%018%0.184CC..EExtended strand (participates in β ladder)trans-107.9119.9176-63.3-37.9000110.5M14 A17 K21 I22 Q23 R208 N232M14-N210 HydrophobicContact CB-CB 4.5Å; M14-N210 HydrophobicContact CE-CB 4.25Å; M14-N210 HydrophobicContact CG-CB 3.89Å; M14-N210 HydrophobicContact SD-CB 4.35Å; A17-N210 WeakPolarHBondContact CB-ND2 3.4Å; K21-N210 WeakPolarHBondContact O-CB 3.26Å; K21-N210 PolarHBondContact O-N 3Å; I22-N210 CarbonylContact C-O 3.4Å; I22-N210 WeakPolarHBondContact CA-O 3.18Å; I22-N210 HydrophobicContact CG1-CB 4.25Å; Q23-N210 PolarHBondContact N-O 3.31Å; R208-N210 VanDerWaalsContact C-N 3.26Å; R208-N210 PolarHBondContact O-N 2.96Å; N210-N232 WeakPolarHBondContact CA-O 3.36Å; N210-N232 WeakPolarHBondContact OD1-CB 3.42Å; N210-N232 PolarHBondContact OD1-ND2 3.07Å
211V97.8Very high92.4Very high0 Ų033.7 Ų33.70%017%0.17CC..EExtended strand (participates in β ladder)trans-113.7124.2-172.2-177.80000111.2M14 Q23 I25 L213 A224 V227 M230 N232 I233 L234M14-V211 WeakPolarHBondContact CE-O 3.46Å; Q23-V211 HydrophobicContact CG-CG2 3.97Å; Q23-V211 WeakPolarHBondContact O-CA 3.18Å; I25-V211 HydrophobicContact CD1-CG1 3.98Å; I25-V211 HydrophobicContact CG1-CG1 4.21Å; V211-L213 HydrophobicContact CG1-CB 4.43Å; V211-A224 HydrophobicContact CG1-CB 4.19Å; V211-V227 HydrophobicContact CG2-CG1 4.01Å; V211-V227 HydrophobicContact CG2-CG2 4.13Å; V211-M230 HydrophobicContact CB-SD 4.25Å; V211-M230 HydrophobicContact CG2-CG 4.05Å; V211-M230 HydrophobicContact CG2-SD 3.83Å; V211-N232 PolarHBondContact N-O 2.88Å; V211-I233 HydrophobicContact CB-CB 4.39Å; V211-I233 HydrophobicContact CB-CG1 4.13Å; V211-I233 HydrophobicContact CG1-CD1 4.33Å; V211-I233 HydrophobicContact CG1-CG1 4.29Å; V211-I233 CarbonylContact O-C 3.49Å; V211-I233 WeakPolarHBondContact O-CA 3.28Å; V211-L234 PolarHBondContact O-N 3.28Å
212L98.3Very high92.9Very high4 Ų434.8 Ų34.82%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-92114.9159.7-61-177.4000108.2M14 I22 Q23 V24 I25 L234 L270 L271 L274M14-L212 HydrophobicContact CE-CD2 4.48Å; M14-L212 HydrophobicContact SD-CD2 3.93Å; I22-L212 HydrophobicContact CG2-CG 4.42Å; Q23-L212 PolarHBondContact O-N 3.24Å; V24-L212 WeakPolarHBondContact CA-O 3.31Å; V24-L212 HydrophobicContact CG1-CB 4.38Å; V24-L212 HydrophobicContact CG2-CB 4.22Å; V24-L212 HydrophobicContact CG2-CD1 4.33Å; I25-L212 PolarHBondContact N-O 3.32Å; L212-L234 HydrophobicContact CD2-CB 3.88Å; L212-L234 HydrophobicContact CD2-CD2 4.01Å; L212-L234 HydrophobicContact CD2-CG 4.47Å; L212-L270 HydrophobicContact CD1-CD2 4.23Å; L212-L270 HydrophobicContact CD2-CD2 3.96Å; L212-L271 HydrophobicContact CD1-CD2 3.71Å; L212-L274 HydrophobicContact CD1-CD1 3.9Å; L212-L274 HydrophobicContact CD2-CD1 4.18Å; L212-L274 HydrophobicContact CG-CD1 4.47Å
213L98.7Very high93.5Very high0 Ų034.7 Ų34.70%018%0.177CC..EExtended strand (participates in β ladder)trans-106.6122.2-179.4-176.399000109.9I25 V211 M223 A224 I233 L234 K235 I236I25-L213 HydrophobicContact CB-CD1 4.3Å; I25-L213 HydrophobicContact CG2-CD1 4.31Å; I25-L213 CarbonylContact O-C 3.27Å; I25-L213 WeakPolarHBondContact O-CA 3.12Å; V211-L213 HydrophobicContact CG1-CB 4.43Å; L213-M223 HydrophobicContact CD1-CB 4.01Å; L213-M223 HydrophobicContact CD1-CE 4.13Å; L213-M223 HydrophobicContact CG-CE 4.5Å; L213-A224 HydrophobicContact CD1-CB 3.87Å; L213-I233 HydrophobicContact CB-CD1 4.09Å; L213-I233 HydrophobicContact CB-CG1 4.23Å; L213-L234 PolarHBondContact N-O 3.35Å; L213-K235 HydrophobicContact CB-CG 4.32Å; L213-K235 HydrophobicContact CD2-CB 4.28Å; L213-K235 HydrophobicContact CD2-CD 4.18Å; L213-K235 HydrophobicContact CD2-CG 3.86Å; L213-I236 PolarHBondContact O-N 3.02Å
214L98.9Very high94Very high2 Ų230.5 Ų30.51%0.0116%0.158CC..EExtended strand (participates in β ladder)trans-117.2131.6-179.3-44.9179.7000110.3V24 I25 S26 D27 T31 L32 F127 M223 I236 L267V24-L214 HydrophobicContact CG1-CD1 4.15Å; V24-L214 HydrophobicContact CG1-CG 4.42Å; I25-L214 PolarHBondContact O-N 2.75Å; S26-L214 WeakPolarHBondContact CA-O 3.21Å; S26-L214 WeakPolarHBondContact OG-CB 3.46Å; D27-L214 PolarHBondContact N-O 3.21Å; T31-L214 HydrophobicContact CG2-CB 3.84Å; L32-L214 HydrophobicContact CD2-CD1 4.49Å; F127-L214 HydrophobicContact CE2-CD1 4.08Å; F127-L214 HydrophobicContact CZ-CD1 3.76Å; L214-M223 VanDerWaalsContact O-CE 3.24Å; L214-M223 WeakPolarHBondContact O-CE 3.12Å; L214-I236 WeakPolarHBondContact CA-O 3.27Å; L214-I236 HydrophobicContact CD2-CB 3.87Å; L214-I236 HydrophobicContact CD2-CD1 4.16Å; L214-I236 HydrophobicContact CD2-CG1 4.33Å; L214-L267 HydrophobicContact CD1-CD1 3.62Å; L214-L267 HydrophobicContact CD1-CD2 4.49Å; L214-L267 HydrophobicContact CD2-CD1 3.97Å; L214-L267 HydrophobicContact CD2-CD2 3.48Å; L214-L267 VanDerWaalsContact CD2-CD2 3.48Å; L214-L267 HydrophobicContact CD2-CG 4.4Å; L214-L267 HydrophobicContact CG-CD1 4.41Å
215G98.5Very high94.3Very high0 Ų027 Ų270%014%0.144CC..EExtended strand (participates in β ladder)trans-161.4165.1175.600000112.5T31 I236 G237 F238T31-G215 WeakPolarHBondContact OG1-CA 3.34Å; G215-I236 PolarHBondContact N-O 3.43Å; G215-G237 CarbonylContact O-C 3.54Å; G215-G237 VanDerWaalsContact O-CA 3.23Å; G215-G237 WeakPolarHBondContact O-CA 3.47Å; G215-F238 PolarHBondContact O-N 2.84Å
216D97.6Very high94.2Very high34 Ų3426.1 Ų26.118%0.18214%0.14CC..SBendtrans-115.3-4.5176.380.5-56.6000112.3M30 T31 D220 F238 Y250M30-D216 HydrophobicContact CB-CB 4.35Å; M30-D216 WeakPolarHBondContact CB-OD2 3.49Å; T31-D216 PolarHBondContact OG1-N 2.94Å; T31-D216 VanDerWaalsContact OG1-N 3.09Å; T31-D216 PolarHBondContact OG1-OD1 3.45Å; D216-D220 PolarHBondContact N-OD2 3.11Å; D216-D220 VanDerWaalsContact N-OD2 3.16Å; D216-F238 WeakPolarHBondContact CA-O 3.24Å; D216-F238 HydrophobicContact CB-CB 4.03Å; D216-Y250 PolarHBondContact O-OH 2.83Å
217S94.4Very high94.2Very high13 Ų1320.6 Ų20.69%0.09112%0.118CC..SBendtrans-122.1167.4179.682.10000112.3G219 D220 Y254S217-G219 VanDerWaalsContact C-N 3.28Å; S217-G219 PolarHBondContact OG-N 3.45Å; S217-D220 WeakPolarHBondContact CA-OD2 3.41Å; S217-D220 WeakPolarHBondContact CB-OD2 3.42Å; S217-D220 PolarHBondContact N-OD2 2.86Å; S217-D220 PolarHBondContact OG-N 3.43Å; S217-D220 PolarHBondContact OG-OD1 3.46Å; S217-D220 PolarHBondContact OG-OD2 2.96Å; S217-Y254 PolarHBondContact O-OH 2.89Å
218L92Very high93.8Very high79 Ų7920.8 Ų20.841%0.41411%0.112SC..SBendtrans-75.2-19.4171.9-63.2178.2000112.5D220 L221 Y250 A253 Y254L218-D220 VanDerWaalsContact C-N 3.27Å; L218-D220 PolarHBondContact O-N 3.26Å; L218-L221 HydrophobicContact CB-CD1 4.32Å; L218-L221 HydrophobicContact CD2-CD1 4.02Å; L218-L221 WeakPolarHBondContact O-CB 3.33Å; L218-L221 WeakPolarHBondContact O-CD1 3.35Å; L218-L221 WeakPolarHBondContact O-CG 3.31Å; L218-Y250 HydrophobicContact CD2-CD2 4.13Å; L218-Y250 HydrophobicContact CD2-CE2 4.13Å; L218-Y250 HydrophobicContact CG-CE2 4.21Å; L218-A253 HydrophobicContact CD2-CB 3.93Å; L218-Y254 HydrophobicContact CD2-CE2 4.37Å
219G90.4Very high93.4Very high12 Ų1223.8 Ų23.812%0.12414%0.139CC..G310 helixtrans-66.9-30.6176.900000112.8I188 S217 L221 T222I188-G219 WeakPolarHBondContact O-CA 3.44Å; S217-G219 VanDerWaalsContact C-N 3.28Å; S217-G219 PolarHBondContact OG-N 3.45Å; G219-L221 PolarHBondContact O-N 3.09Å; G219-T222 PolarHBondContact O-N 3.31Å; G219-T222 PolarHBondContact O-OG1 3.19Å
220D96Very high93.3Very high2 Ų226.3 Ų26.31%0.01115%0.152CC..G310 helixtrans-66.4-20.9-177.6-59.7-38.7000113.7K191 D216 S217 L218 T222 M223K191-D220 WeakPolarHBondContact CE-OD1 3.45Å; K191-D220 IonicContact NZ-OD1 2.75Å; K191-D220 PolarHBondContact NZ-OD1 3.35Å; D216-D220 PolarHBondContact N-OD2 3.11Å; D216-D220 VanDerWaalsContact N-OD2 3.16Å; S217-D220 WeakPolarHBondContact CA-OD2 3.41Å; S217-D220 WeakPolarHBondContact CB-OD2 3.42Å; S217-D220 PolarHBondContact N-OD2 2.86Å; S217-D220 PolarHBondContact OG-N 3.43Å; S217-D220 PolarHBondContact OG-OD1 3.46Å; S217-D220 PolarHBondContact OG-OD2 2.96Å; L218-D220 VanDerWaalsContact C-N 3.27Å; L218-D220 PolarHBondContact O-N 3.26Å; D220-T222 PolarHBondContact O-N 3.31Å; D220-M223 HydrophobicContact CB-CE 3.62Å; D220-M223 HydrophobicContact CB-SD 4.19Å; D220-M223 WeakPolarHBondContact O-CB 3.36Å; D220-M223 WeakPolarHBondContact O-CE 3.36Å; D220-M223 WeakPolarHBondContact O-CG 3.32Å; D220-M223 PolarHBondContact O-N 3.03Å
221L95.2Very high93.2Very high30 Ų3032.3 Ų32.316%0.15718%0.18CC..G310 helixtrans-58.8-17.8179.4-65.2167.7000113.8L218 G219 K235 A253 Y254L218-L221 HydrophobicContact CB-CD1 4.32Å; L218-L221 HydrophobicContact CD2-CD1 4.02Å; L218-L221 WeakPolarHBondContact O-CB 3.33Å; L218-L221 WeakPolarHBondContact O-CD1 3.35Å; L218-L221 WeakPolarHBondContact O-CG 3.31Å; G219-L221 PolarHBondContact O-N 3.09Å; L221-K235 HydrophobicContact CD2-CD 3.84Å; L221-A253 HydrophobicContact CD1-CB 3.59Å; L221-A253 HydrophobicContact CD2-CB 4.37Å; L221-A253 WeakPolarHBondContact CD2-O 3.25Å; L221-Y254 HydrophobicContact CD2-CD1 3.89Å; L221-Y254 HydrophobicContact CD2-CD2 4.13Å; L221-Y254 HydrophobicContact CD2-CE1 3.58Å; L221-Y254 HydrophobicContact CD2-CE2 3.84Å; L221-Y254 HydrophobicContact CD2-CG 4.15Å; L221-Y254 HydrophobicContact CG-CE1 4.47Å; L221-Y254 HydrophobicContact CG-CE2 4.21Å
222T93.6Very high93.1Very high40 Ų4033.6 Ų33.625%0.24519%0.187CC..G310 helixtrans-101.6-1.4-17764.10000113.8R192 G219 D220 A224 D225R192-T222 HydrophobicContact CB-CG2 4.36Å; R192-T222 PolarHBondContact N-OG1 3.2Å; G219-T222 PolarHBondContact O-N 3.31Å; G219-T222 PolarHBondContact O-OG1 3.19Å; D220-T222 PolarHBondContact O-N 3.31Å; T222-A224 PolarHBondContact O-N 3.27Å; T222-A224 VanDerWaalsContact O-N 3.16Å; T222-D225 WeakPolarHBondContact O-CB 3.33Å; T222-D225 PolarHBondContact O-N 2.88Å; T222-D225 VanDerWaalsContact O-N 3.08Å
223M95.1Very high93.1Very high0 Ų035 Ų350%019%0.194CC..THydrogen-bonded Turntrans-64.9-20.7-178.7-65.4-176.7-55.300113.4I25 D27 F141 K191 L213 L214 D220I25-M223 HydrophobicContact CG2-CB 3.7Å; I25-M223 HydrophobicContact CG2-CE 4.39Å; D27-M223 HydrophobicContact CB-CE 4.18Å; D27-M223 HydrophobicContact CB-SD 4.25Å; F141-M223 HydrophobicContact CB-CG 4.39Å; F141-M223 HydrophobicContact CB-SD 3.87Å; F141-M223 HydrophobicContact CD1-CB 3.85Å; F141-M223 HydrophobicContact CD1-CG 3.82Å; F141-M223 HydrophobicContact CD1-SD 4.39Å; F141-M223 HydrophobicContact CE1-CB 4.49Å; F141-M223 HydrophobicContact CE1-CG 4.42Å; F141-M223 HydrophobicContact CG-CG 4.29Å; F141-M223 HydrophobicContact CG-SD 4.29Å; F141-M223 VanDerWaalsContact O-SD 3.34Å; K191-M223 HydrophobicContact CB-CG 4Å; K191-M223 HydrophobicContact CD-CG 3.54Å; K191-M223 HydrophobicContact CD-SD 3.61Å; K191-M223 HydrophobicContact CG-CG 4.42Å; K191-M223 PolarHBondContact NZ-SD 3.13Å; K191-M223 VanDerWaalsContact NZ-SD 3.44Å; L213-M223 HydrophobicContact CD1-CB 4.01Å; L213-M223 HydrophobicContact CD1-CE 4.13Å; L213-M223 HydrophobicContact CG-CE 4.5Å; L214-M223 VanDerWaalsContact O-CE 3.24Å; L214-M223 WeakPolarHBondContact O-CE 3.12Å; D220-M223 HydrophobicContact CB-CE 3.62Å; D220-M223 HydrophobicContact CB-SD 4.19Å; D220-M223 WeakPolarHBondContact O-CB 3.36Å; D220-M223 WeakPolarHBondContact O-CE 3.36Å; D220-M223 WeakPolarHBondContact O-CG 3.32Å; D220-M223 PolarHBondContact O-N 3.03Å
224A93.4Very high93Very high4 Ų435 Ų353%0.03319%0.194CC..THydrogen-bonded Turntrans-91.81.6177.300000113.9I25 V211 L213 T222 G226 V227 M230 I233I25-A224 HydrophobicContact CD1-CB 3.98Å; V211-A224 HydrophobicContact CG1-CB 4.19Å; L213-A224 HydrophobicContact CD1-CB 3.87Å; T222-A224 PolarHBondContact O-N 3.27Å; T222-A224 VanDerWaalsContact O-N 3.16Å; A224-G226 PolarHBondContact O-N 3.29Å; A224-G226 VanDerWaalsContact O-N 3.13Å; A224-V227 HydrophobicContact CB-CG2 4.17Å; A224-V227 VanDerWaalsContact O-CB 3.31Å; A224-V227 WeakPolarHBondContact O-CB 3.37Å; A224-V227 WeakPolarHBondContact O-CG2 3.35Å; A224-V227 PolarHBondContact O-N 2.94Å; A224-M230 HydrophobicContact CB-SD 4.4Å; A224-I233 HydrophobicContact CB-CD1 3.8Å
225D91.2Very high93Very high68 Ų6837.3 Ų37.336%0.36420%0.204SC..THydrogen-bonded Turntrans-64.1-20.6-176.2-80.824.6000113.2R192 T222 V227R192-D225 WeakPolarHBondContact CD-OD2 3.34Å; R192-D225 HydrophobicContact CG-CB 4.15Å; R192-D225 WeakPolarHBondContact CG-OD2 3.33Å; R192-D225 IonicContact CZ-OD2 2.85Å; R192-D225 IonicContact NE-OD2 2.88Å; R192-D225 PolarHBondContact NE-OD2 3.33Å; T222-D225 WeakPolarHBondContact O-CB 3.33Å; T222-D225 PolarHBondContact O-N 2.88Å; T222-D225 VanDerWaalsContact O-N 3.08Å; D225-V227 VanDerWaalsContact C-N 3.34Å
226G86.9Confident93Very high4 Ų437.3 Ų37.34%0.04120%0.204CC..THydrogen-bonded Turntrans-78.9-10.8173.100000114.5F202 A224 H228F202-G226 WeakPolarHBondContact CB-O 3.38Å; F202-G226 VanDerWaalsContact CG-O 3.24Å; F202-G226 WeakPolarHBondContact CG-O 3.35Å; A224-G226 PolarHBondContact O-N 3.29Å; A224-G226 VanDerWaalsContact O-N 3.13Å; G226-H228 PolarHBondContact O-N 3.13Å
227V87.6Confident93.1Very high17 Ų1735.7 Ų35.710%0.10320%0.195CC..  trans-73.2116.8-176.3-178.90000110.5I25 F202 V211 A224 D225 M230I25-V227 HydrophobicContact CD1-CG2 3.66Å; F202-V227 HydrophobicContact CD1-CB 4.42Å; F202-V227 HydrophobicContact CD1-CG2 3.71Å; F202-V227 HydrophobicContact CE1-CG2 3.67Å; V211-V227 HydrophobicContact CG2-CG1 4.01Å; V211-V227 HydrophobicContact CG2-CG2 4.13Å; A224-V227 HydrophobicContact CB-CG2 4.17Å; A224-V227 VanDerWaalsContact O-CB 3.31Å; A224-V227 WeakPolarHBondContact O-CB 3.37Å; A224-V227 WeakPolarHBondContact O-CG2 3.35Å; A224-V227 PolarHBondContact O-N 2.94Å; D225-V227 VanDerWaalsContact C-N 3.34Å; V227-M230 HydrophobicContact CB-CB 4.47Å; V227-M230 HydrophobicContact CG1-CB 3.97Å; V227-M230 HydrophobicContact CG1-CG 4.43Å
228H81.4Confident93.3Very high65 Ų6535 Ų3530%0.30119%0.191SC..THydrogen-bonded Turntrans-76.1141.4175.1-60.8-65.8000111.6Q203 G226 M230Q203-H228 PolarHBondContact NE2-CD2 3.22Å; Q203-H228 PolarHBondContact NE2-NE2 3.27Å; G226-H228 PolarHBondContact O-N 3.13Å; H228-M230 PolarHBondContact O-N 2.87Å; H228-M230 VanDerWaalsContact O-N 3.17Å
229S84.1Confident93.6Very high101 Ų10131.3 Ų31.371%0.70617%0.171SC*.THydrogen-bonded Turntrans54.534.2173.3-590000114.3H209 E231H209-S229 VanDerWaalsContact CB-O 3.24Å; H209-S229 WeakPolarHBondContact CB-O 3.2Å; S229-E231 PolarHBondContact O-N 3.07Å
230M91.8Very high93.9Very high77 Ų7731.1 Ų31.138%0.37917%0.167SC..  trans-60.5121.3176.4-173.4171.365.300110.7V211 A224 V227 H228 I233V211-M230 HydrophobicContact CB-SD 4.25Å; V211-M230 HydrophobicContact CG2-CG 4.05Å; V211-M230 HydrophobicContact CG2-SD 3.83Å; A224-M230 HydrophobicContact CB-SD 4.4Å; V227-M230 HydrophobicContact CB-CB 4.47Å; V227-M230 HydrophobicContact CG1-CB 3.97Å; V227-M230 HydrophobicContact CG1-CG 4.43Å; H228-M230 PolarHBondContact O-N 2.87Å; H228-M230 VanDerWaalsContact O-N 3.17Å; M230-I233 HydrophobicContact CE-CB 4.25Å; M230-I233 HydrophobicContact CE-CD1 4.3Å; M230-I233 HydrophobicContact CE-CG2 4.12Å; M230-I233 HydrophobicContact SD-CB 3.74Å; M230-I233 HydrophobicContact SD-CD1 3.88Å; M230-I233 HydrophobicContact SD-CG1 4.27Å; M230-I233 HydrophobicContact SD-CG2 4.28Å
231E93.4Very high93.8Very high126 Ų12634.1 Ų34.159%0.58918%0.183SC*.  trans-93.4-45.9177.5-72.9-176.3-178.400111.1H209 S229H209-E231 HydrophobicContact CB-CB 4.25Å; H209-E231 HydrophobicContact CB-CG 4Å; H209-E231 VanDerWaalsContact CE1-CD 3.45Å; H209-E231 IonicContact CE1-OE1 3.89Å; H209-E231 IonicContact CE1-OE2 2.68Å; H209-E231 PolarHBondContact CE1-OE2 3.28Å; H209-E231 IonicContact CG-OE2 2.76Å; H209-E231 IonicContact ND1-OE1 2.92Å; H209-E231 IonicContact ND1-OE2 3.83Å; H209-E231 PolarHBondContact ND1-OE2 3Å; H209-E231 PolarHBondContact O-N 3.2Å; S229-E231 PolarHBondContact O-N 3.07Å
232N96.3Very high93.6Very high28 Ų2835.8 Ų35.815%0.1519%0.189CC..EExtended strand (participates in β ladder)trans-133.2141.1-178.5-57.5-80.9000110.2I10 T13 M14 H209 N210 V211I10-N232 HydrophobicContact CG2-CB 4.4Å; T13-N232 WeakPolarHBondContact CG2-ND2 3.45Å; M14-N232 HydrophobicContact CE-CB 3.6Å; M14-N232 HydrophobicContact CG-CB 4.02Å; H209-N232 PolarHBondContact O-N 3.27Å; N210-N232 WeakPolarHBondContact CA-O 3.36Å; N210-N232 WeakPolarHBondContact OD1-CB 3.42Å; N210-N232 PolarHBondContact OD1-ND2 3.07Å; V211-N232 PolarHBondContact N-O 2.88Å
233I97.6Very high93.6Very high32 Ų3234.8 Ų34.816%0.16418%0.183CC..EExtended strand (participates in β ladder)trans-133.8131169.9-175.4166.3000108.7V211 L213 A224 M230 K235V211-I233 HydrophobicContact CB-CB 4.39Å; V211-I233 HydrophobicContact CB-CG1 4.13Å; V211-I233 HydrophobicContact CG1-CD1 4.33Å; V211-I233 HydrophobicContact CG1-CG1 4.29Å; V211-I233 CarbonylContact O-C 3.49Å; V211-I233 WeakPolarHBondContact O-CA 3.28Å; L213-I233 HydrophobicContact CB-CD1 4.09Å; L213-I233 HydrophobicContact CB-CG1 4.23Å; A224-I233 HydrophobicContact CB-CD1 3.8Å; M230-I233 HydrophobicContact CE-CB 4.25Å; M230-I233 HydrophobicContact CE-CD1 4.3Å; M230-I233 HydrophobicContact CE-CG2 4.12Å; M230-I233 HydrophobicContact SD-CB 3.74Å; M230-I233 HydrophobicContact SD-CD1 3.88Å; M230-I233 HydrophobicContact SD-CG1 4.27Å; M230-I233 HydrophobicContact SD-CG2 4.28Å; I233-K235 HydrophobicContact CD1-CG 4.11Å; I233-K235 HydrophobicContact CG1-CG 3.92Å
234L98.4Very high93.5Very high0 Ų042.3 Ų42.30%022%0.218CC..EExtended strand (participates in β ladder)trans-113.8116.2170.6-176.365.7000108.2V7 I10 I11 M14 V211 L212 L213 I236 D255 I256 L270V7-L234 HydrophobicContact CG1-CD1 4.17Å; I10-L234 HydrophobicContact CG2-CB 3.92Å; I10-L234 HydrophobicContact CG2-CD1 4.28Å; I11-L234 HydrophobicContact CD1-CD2 4.3Å; I11-L234 HydrophobicContact CG1-CD2 3.9Å; M14-L234 HydrophobicContact CE-CB 4.01Å; M14-L234 HydrophobicContact SD-CB 4.44Å; V211-L234 PolarHBondContact O-N 3.28Å; L212-L234 HydrophobicContact CD2-CB 3.88Å; L212-L234 HydrophobicContact CD2-CD2 4.01Å; L212-L234 HydrophobicContact CD2-CG 4.47Å; L213-L234 PolarHBondContact N-O 3.35Å; L234-I236 HydrophobicContact CD2-CD1 4.3Å; L234-I236 HydrophobicContact CG-CD1 4.5Å; L234-I236 HydrophobicContact CG-CG1 4.34Å; L234-D255 HydrophobicContact CD1-CB 3.84Å; L234-I256 HydrophobicContact CD1-CD1 4.47Å; L234-I256 HydrophobicContact CD2-CD1 4.38Å; L234-L270 HydrophobicContact CD2-CD1 4.29Å; L234-L270 HydrophobicContact CD2-CD2 3.65Å
235K98.8Very high93.4Very high51 Ų5149.1 Ų49.122%0.22225%0.249CC..EExtended strand (participates in β ladder)trans-100122.7-175.9-56.9-177.8176.4-171.30110.1L213 L221 I233 Y254 D255 I256L213-K235 HydrophobicContact CB-CG 4.32Å; L213-K235 HydrophobicContact CD2-CB 4.28Å; L213-K235 HydrophobicContact CD2-CD 4.18Å; L213-K235 HydrophobicContact CD2-CG 3.86Å; L221-K235 HydrophobicContact CD2-CD 3.84Å; I233-K235 HydrophobicContact CD1-CG 4.11Å; I233-K235 HydrophobicContact CG1-CG 3.92Å; K235-Y254 HydrophobicContact CB-CD1 3.74Å; K235-Y254 HydrophobicContact CB-CE1 4.35Å; K235-D255 WeakPolarHBondContact CB-OD2 3.37Å; K235-D255 PolarHBondContact N-OD2 2.9Å; K235-D255 PolarHBondContact O-N 3.22Å; K235-I256 PolarHBondContact O-N 3.03Å; K235-I256 VanDerWaalsContact O-N 3.12Å
236I98.8Very high93.4Very high0 Ų048.9 Ų48.90%024%0.243CC..EExtended strand (participates in β ladder)trans-120.7116.8-178.9-52.8179.3000108.7L213 L214 G215 L234 Y254 I256 L258 L267 L270L213-I236 PolarHBondContact O-N 3.02Å; L214-I236 WeakPolarHBondContact CA-O 3.27Å; L214-I236 HydrophobicContact CD2-CB 3.87Å; L214-I236 HydrophobicContact CD2-CD1 4.16Å; L214-I236 HydrophobicContact CD2-CG1 4.33Å; G215-I236 PolarHBondContact N-O 3.43Å; L234-I236 HydrophobicContact CD2-CD1 4.3Å; L234-I236 HydrophobicContact CG-CD1 4.5Å; L234-I236 HydrophobicContact CG-CG1 4.34Å; I236-Y254 VanDerWaalsContact C-CD1 3.47Å; I236-I256 WeakPolarHBondContact CA-O 3Å; I236-I256 HydrophobicContact CD1-CD1 4.23Å; I236-I256 HydrophobicContact CG1-CB 4.16Å; I236-I256 HydrophobicContact CG1-CD1 4.25Å; I236-I256 HydrophobicContact CG2-CB 4.25Å; I236-I256 HydrophobicContact CG2-CG2 4.33Å; I236-L258 HydrophobicContact CG2-CD1 3.9Å; I236-L258 HydrophobicContact CG2-CG 4.1Å; I236-L267 HydrophobicContact CB-CD2 4.39Å; I236-L267 HydrophobicContact CD1-CD2 3.33Å; I236-L267 HydrophobicContact CG1-CD2 4.41Å; I236-L267 HydrophobicContact CG2-CD2 4.15Å; I236-L270 HydrophobicContact CD1-CD2 3.78Å
237G98.6Very high93.8Very high0 Ų053.1 Ų53.10%026%0.261CS..EExtended strand (participates in β ladder)trans-108.7125.9-173.900000112.6G215 Y254 I256 V257 L258G215-G237 CarbonylContact O-C 3.54Å; G215-G237 VanDerWaalsContact O-CA 3.23Å; G215-G237 WeakPolarHBondContact O-CA 3.47Å; G237-Y254 VanDerWaalsContact CA-CD1 3.44Å; G237-Y254 VanDerWaalsContact N-CD1 3.26Å; G237-I256 PolarHBondContact N-O 3.18Å; G237-V257 CarbonylContact O-C 3.08Å; G237-V257 WeakPolarHBondContact O-CA 3.29Å; G237-L258 PolarHBondContact O-N 3.33Å
238F98.7Very high94.2Very high0 Ų056.9 Ų56.90%028%0.284CS..EExtended strand (participates in β ladder)trans-86.7106.2171.2-68.3-91.5000110.2T31 R121 G215 D216 N240 L258 L267T31-F238 HydrophobicContact CG2-CD2 3.97Å; T31-F238 HydrophobicContact CG2-CE2 3.98Å; R121-F238 VanDerWaalsContact CZ-CD1 3.46Å; R121-F238 VanDerWaalsContact NH2-CD1 3.28Å; G215-F238 PolarHBondContact O-N 2.84Å; D216-F238 WeakPolarHBondContact CA-O 3.24Å; D216-F238 HydrophobicContact CB-CB 4.03Å; F238-N240 PolarHBondContact O-N 3.43Å; F238-L258 HydrophobicContact CD1-CB 4.11Å; F238-L258 HydrophobicContact CD1-CD1 4.11Å; F238-L258 HydrophobicContact CE1-CB 4.39Å; F238-L258 HydrophobicContact CE1-CD1 3.58Å; F238-L258 HydrophobicContact CZ-CD1 3.83Å; F238-L267 HydrophobicContact CE2-CD1 4.33Å; F238-L267 HydrophobicContact CZ-CD1 3.98Å
239L97.9Very high94.8Very high0 Ų056 Ų560%029%0.285CS..EExtended strand (participates in β ladder)trans-92.587.5175.6179.655.1000109.6D241 V243 R246 K247 Y250 V257 L258 V259 K260L239-D241 WeakPolarHBondContact CD1-O 3.44Å; L239-V243 HydrophobicContact CD2-CB 4.46Å; L239-V243 HydrophobicContact CD2-CG1 4.1Å; L239-V243 HydrophobicContact CG-CG2 4.29Å; L239-R246 HydrophobicContact CD1-CB 3.78Å; L239-K247 HydrophobicContact CD2-CB 4.11Å; L239-Y250 HydrophobicContact CB-CD1 3.84Å; L239-Y250 HydrophobicContact CB-CE1 4.1Å; L239-Y250 HydrophobicContact CB-CG 4.44Å; L239-Y250 HydrophobicContact CD1-CD1 4.08Å; L239-Y250 HydrophobicContact CD1-CD2 4.19Å; L239-Y250 HydrophobicContact CD1-CE1 3.92Å; L239-Y250 HydrophobicContact CD1-CE2 4.08Å; L239-Y250 HydrophobicContact CD1-CG 4.19Å; L239-Y250 HydrophobicContact CD2-CG 4.39Å; L239-Y250 HydrophobicContact CG-CD1 4.37Å; L239-V257 HydrophobicContact CB-CG1 3.76Å; L239-V257 HydrophobicContact CD2-CG1 4.28Å; L239-L258 PolarHBondContact N-O 2.69Å; L239-V259 HydrophobicContact CD2-CG2 4.49Å; L239-K260 PolarHBondContact O-N 3.41Å
240N97.1Very high95.4Very high9 Ų951.7 Ų51.75%0.04825%0.253CS..  trans-84.5-31.3-171.6-61.6-52.2000114.4M30 F35 R121 F238M30-N240 PolarHBondContact O-ND2 2.93Å; F35-N240 HydrophobicContact CB-CB 3.74Å; F35-N240 HydrophobicContact CD1-CB 4.13Å; F35-N240 HydrophobicContact CD2-CB 3.13Å; F35-N240 HydrophobicContact CE2-CB 3.53Å; F35-N240 HydrophobicContact CG-CB 3.44Å; F35-N240 VanDerWaalsContact CG-CB 3.44Å; F35-N240 HydrophobicContact CZ-CB 4.27Å; R121-N240 PolarHBondContact NH2-OD1 3.4Å; F238-N240 PolarHBondContact O-N 3.43Å
241D92.9Very high95.6Very high64 Ų6450.1 Ų50.134%0.34225%0.246SC..SBendtrans-139.8163.6-175.6-159.14.3000112.6F35 L239 V243F35-D241 HydrophobicContact CE2-CB 3.8Å; F35-D241 HydrophobicContact CZ-CB 3.6Å; L239-D241 WeakPolarHBondContact CD1-O 3.44Å; D241-V243 PolarHBondContact O-N 2.89Å
242K91.2Very high95.8Very high65 Ų6548.6 Ų48.628%0.28324%0.242SC..  trans49.942.5178.4-58.7-175.8172.5-1610111.9I75 E244 E245 R246I75-K242 VanDerWaalsContact CD1-NZ 3.27Å; K242-E244 VanDerWaalsContact C-N 3.33Å; K242-E244 PolarHBondContact O-N 3.35Å; K242-E245 HydrophobicContact CB-CB 4.33Å; K242-E245 PolarHBondContact O-N 3.17Å; K242-R246 HydrophobicContact CB-CG 4.22Å; K242-R246 WeakPolarHBondContact O-CB 3.42Å; K242-R246 PolarHBondContact O-N 2.91Å
243V94Very high95.8Very high19 Ų1948.7 Ų48.712%0.11525%0.247CC..Hα-helixtrans-51.7-51.8-171.2177.20000110.7L239 D241 E245 R246 K247 V259 K260L239-V243 HydrophobicContact CD2-CB 4.46Å; L239-V243 HydrophobicContact CD2-CG1 4.1Å; L239-V243 HydrophobicContact CG-CG2 4.29Å; D241-V243 PolarHBondContact O-N 2.89Å; V243-E245 VanDerWaalsContact C-N 3.3Å; V243-E245 PolarHBondContact O-N 2.88Å; V243-R246 PolarHBondContact O-N 3.08Å; V243-K247 WeakPolarHBondContact O-CA 3.5Å; V243-K247 WeakPolarHBondContact O-CB 3.5Å; V243-K247 PolarHBondContact O-N 3.46Å; V243-V259 HydrophobicContact CB-CG1 4.33Å; V243-V259 HydrophobicContact CG1-CG1 3.58Å; V243-V259 HydrophobicContact CG2-CG1 3.73Å; V243-K260 HydrophobicContact CG2-CD 4.43Å; V243-K260 HydrophobicContact CG2-CG 4.13Å
244E94.1Very high95.8Very high159 Ų15947.3 Ų47.374%0.74324%0.24SC*.Hα-helixtrans-61.5-37.6-177.7-59.9-50.6135.800113.1K242K242-E244 VanDerWaalsContact C-N 3.33Å; K242-E244 PolarHBondContact O-N 3.35Å
245E91.5Very high95.8Very high146 Ų14648.4 Ų48.468%0.68225%0.245SC*.Hα-helixtrans-74.2-35.6-179.6-61.4172.3-160.200112.4K242 V243K242-E245 HydrophobicContact CB-CB 4.33Å; K242-E245 PolarHBondContact O-N 3.17Å; V243-E245 VanDerWaalsContact C-N 3.3Å; V243-E245 PolarHBondContact O-N 2.88Å
246R91.4Very high95.8Very high63 Ų6346.9 Ų46.924%0.23824%0.239CC..Hα-helixtrans-105.6-14.1-168.6-66179.7176.8-175.7-3.9114.1L239 K242 V243 T248 S249 Y250L239-R246 HydrophobicContact CD1-CB 3.78Å; K242-R246 HydrophobicContact CB-CG 4.22Å; K242-R246 WeakPolarHBondContact O-CB 3.42Å; K242-R246 PolarHBondContact O-N 2.91Å; V243-R246 PolarHBondContact O-N 3.08Å; R246-T248 VanDerWaalsContact C-N 3.29Å; R246-T248 PolarHBondContact O-N 3.35Å; R246-S249 PolarHBondContact O-N 2.83Å; R246-S249 VanDerWaalsContact O-N 3.13Å; R246-S249 PolarHBondContact O-OG 3.16Å; R246-Y250 HydrophobicContact CB-CD2 4Å; R246-Y250 HydrophobicContact CB-CE2 3.95Å; R246-Y250 VanDerWaalsContact O-CD2 3.26Å; R246-Y250 WeakPolarHBondContact O-CD2 3.48Å; R246-Y250 PolarHBondContact O-N 2.96Å
247K94.4Very high95.8Very high94 Ų9447.8 Ų47.841%0.40925%0.245SC..Hα-helixtrans-53.9-43.4-175.2177.9175.3-175.9179.90113L239 V243 Y250 L251L239-K247 HydrophobicContact CD2-CB 4.11Å; V243-K247 WeakPolarHBondContact O-CA 3.5Å; V243-K247 WeakPolarHBondContact O-CB 3.5Å; V243-K247 PolarHBondContact O-N 3.46Å; K247-Y250 PolarHBondContact O-N 3.02Å; K247-L251 HydrophobicContact CG-CD1 3.81Å; K247-L251 HydrophobicContact CG-CG 4.41Å; K247-L251 WeakPolarHBondContact O-CB 3.48Å; K247-L251 WeakPolarHBondContact O-CG 3.42Å; K247-L251 PolarHBondContact O-N 3.45Å
248T95.3Very high95.8Very high96 Ų9648.5 Ų48.559%0.58925%0.249SC*.Hα-helixtrans-65.1-44.4-179.9-57.90000112R246 Y250 N252R246-T248 VanDerWaalsContact C-N 3.29Å; R246-T248 PolarHBondContact O-N 3.35Å; T248-Y250 VanDerWaalsContact C-N 3.34Å; T248-Y250 PolarHBondContact O-N 3.12Å; T248-N252 WeakPolarHBondContact O-CB 3.48Å; T248-N252 PolarHBondContact O-N 3.19Å; T248-N252 VanDerWaalsContact O-N 3.08Å; T248-N252 PolarHBondContact O-ND2 3.43Å
249S93.9Very high95.8Very high46 Ų4651.9 Ų51.932%0.32227%0.269SS..Hα-helixtrans-66.5-37.9178.456.40000111.5R246 N252 A253R246-S249 PolarHBondContact O-N 2.83Å; R246-S249 VanDerWaalsContact O-N 3.13Å; R246-S249 PolarHBondContact O-OG 3.16Å; S249-N252 PolarHBondContact O-N 3.35Å; S249-A253 VanDerWaalsContact O-CB 3.28Å; S249-A253 WeakPolarHBondContact O-CB 3.48Å; S249-A253 PolarHBondContact O-N 3.35Å
250Y96.9Very high95.8Very high10 Ų1058.5 Ų58.54%0.03930%0.298CS..Hα-helixtrans-67.7-46.2177.1-82.4-122.8000111.6D216 L218 L239 R246 K247 T248 N252 A253 Y254D216-Y250 PolarHBondContact O-OH 2.83Å; L218-Y250 HydrophobicContact CD2-CD2 4.13Å; L218-Y250 HydrophobicContact CD2-CE2 4.13Å; L218-Y250 HydrophobicContact CG-CE2 4.21Å; L239-Y250 HydrophobicContact CB-CD1 3.84Å; L239-Y250 HydrophobicContact CB-CE1 4.1Å; L239-Y250 HydrophobicContact CB-CG 4.44Å; L239-Y250 HydrophobicContact CD1-CD1 4.08Å; L239-Y250 HydrophobicContact CD1-CD2 4.19Å; L239-Y250 HydrophobicContact CD1-CE1 3.92Å; L239-Y250 HydrophobicContact CD1-CE2 4.08Å; L239-Y250 HydrophobicContact CD1-CG 4.19Å; L239-Y250 HydrophobicContact CD2-CG 4.39Å; L239-Y250 HydrophobicContact CG-CD1 4.37Å; R246-Y250 HydrophobicContact CB-CD2 4Å; R246-Y250 HydrophobicContact CB-CE2 3.95Å; R246-Y250 VanDerWaalsContact O-CD2 3.26Å; R246-Y250 WeakPolarHBondContact O-CD2 3.48Å; R246-Y250 PolarHBondContact O-N 2.96Å; K247-Y250 PolarHBondContact O-N 3.02Å; T248-Y250 VanDerWaalsContact C-N 3.34Å; T248-Y250 PolarHBondContact O-N 3.12Å; Y250-N252 PolarHBondContact O-N 2.96Å; Y250-A253 PolarHBondContact O-N 2.81Å; Y250-Y254 HydrophobicContact CD1-CD2 4.03Å; Y250-Y254 HydrophobicContact CD1-CE2 4.19Å; Y250-Y254 HydrophobicContact CE1-CE2 4.35Å; Y250-Y254 HydrophobicContact CG-CD2 4.42Å; Y250-Y254 WeakPolarHBondContact O-CB 3.37Å; Y250-Y254 PolarHBondContact O-N 2.93Å
251L96.9Very high95.8Very high45 Ų4559.6 Ų59.624%0.23630%0.304CS..Hα-helixtrans-63.8-23.7176.6-76.2171.4000113.3R2 K247 V257R2-L251 HydrophobicContact CB-CB 4.48Å; R2-L251 VanDerWaalsContact CB-O 3.32Å; R2-L251 WeakPolarHBondContact CB-O 3.05Å; R2-L251 VanDerWaalsContact CD-O 3.26Å; R2-L251 WeakPolarHBondContact CD-O 3.32Å; K247-L251 HydrophobicContact CG-CD1 3.81Å; K247-L251 HydrophobicContact CG-CG 4.41Å; K247-L251 WeakPolarHBondContact O-CB 3.48Å; K247-L251 WeakPolarHBondContact O-CG 3.42Å; K247-L251 PolarHBondContact O-N 3.45Å; L251-V257 HydrophobicContact CD2-CB 4.31Å; L251-V257 HydrophobicContact CD2-CG2 4.03Å; L251-V257 HydrophobicContact CG-CG2 4.43Å
252N96.9Very high96.1Very high93 Ų9358.2 Ų58.250%0.49730%0.295SS..Hα-helixtrans-81.3-22174.6-71.4-18.5000113.2R2 T248 S249 Y250R2-N252 PolarHBondContact NH1-OD1 3.18Å; T248-N252 WeakPolarHBondContact O-CB 3.48Å; T248-N252 PolarHBondContact O-N 3.19Å; T248-N252 VanDerWaalsContact O-N 3.08Å; T248-N252 PolarHBondContact O-ND2 3.43Å; S249-N252 PolarHBondContact O-N 3.35Å; Y250-N252 PolarHBondContact O-N 2.96Å
253A96.5Very high96.4Very high31 Ų3156.2 Ų56.226%0.25629%0.288SS..Hα-helixtrans-110.9-32.7-169.300000114.1L218 L221 S249 Y250L218-A253 HydrophobicContact CD2-CB 3.93Å; L221-A253 HydrophobicContact CD1-CB 3.59Å; L221-A253 HydrophobicContact CD2-CB 4.37Å; L221-A253 WeakPolarHBondContact CD2-O 3.25Å; S249-A253 VanDerWaalsContact O-CB 3.28Å; S249-A253 WeakPolarHBondContact O-CB 3.48Å; S249-A253 PolarHBondContact O-N 3.35Å; Y250-A253 PolarHBondContact O-N 2.81Å
254Y98.5Very high96.6Very high3 Ų355.4 Ų55.41%0.01228%0.283CS..  trans-108.1143.2178.6-74.2-79.7000110.9S217 L218 L221 K235 I236 G237 Y250S217-Y254 PolarHBondContact O-OH 2.89Å; L218-Y254 HydrophobicContact CD2-CE2 4.37Å; L221-Y254 HydrophobicContact CD2-CD1 3.89Å; L221-Y254 HydrophobicContact CD2-CD2 4.13Å; L221-Y254 HydrophobicContact CD2-CE1 3.58Å; L221-Y254 HydrophobicContact CD2-CE2 3.84Å; L221-Y254 HydrophobicContact CD2-CG 4.15Å; L221-Y254 HydrophobicContact CG-CE1 4.47Å; L221-Y254 HydrophobicContact CG-CE2 4.21Å; K235-Y254 HydrophobicContact CB-CD1 3.74Å; K235-Y254 HydrophobicContact CB-CE1 4.35Å; I236-Y254 VanDerWaalsContact C-CD1 3.47Å; G237-Y254 VanDerWaalsContact CA-CD1 3.44Å; G237-Y254 VanDerWaalsContact N-CD1 3.26Å; Y250-Y254 HydrophobicContact CD1-CD2 4.03Å; Y250-Y254 HydrophobicContact CD1-CE2 4.19Å; Y250-Y254 HydrophobicContact CE1-CE2 4.35Å; Y250-Y254 HydrophobicContact CG-CD2 4.42Å; Y250-Y254 WeakPolarHBondContact O-CB 3.37Å; Y250-Y254 PolarHBondContact O-N 2.93Å
255D98.5Very high96.8Very high22 Ų2254.2 Ų54.212%0.11828%0.278CS..SBendtrans-73.7-42.8178.5-55.9-63.7000110.6M1 V7 L234 K235M1-D255 WeakPolarHBondContact CA-O 3.28Å; V7-D255 HydrophobicContact CG2-CB 3.89Å; L234-D255 HydrophobicContact CD1-CB 3.84Å; K235-D255 WeakPolarHBondContact CB-OD2 3.37Å; K235-D255 PolarHBondContact N-OD2 2.9Å; K235-D255 PolarHBondContact O-N 3.22Å
256I98.7Very high97.2Very high19 Ų1950 Ų5010%0.09726%0.262CS..EExtended strand (participates in β ladder)trans-118.5131.3174.6-53.1178000108.5M1 V7 L234 K235 I236 G237 L258M1-I256 HydrophobicContact CG-CB 4.45Å; M1-I256 HydrophobicContact CG-CG1 4.05Å; M1-I256 HydrophobicContact CG-CG2 4.46Å; M1-I256 HydrophobicContact SD-CG1 4.3Å; V7-I256 HydrophobicContact CG1-CD1 3.98Å; V7-I256 HydrophobicContact CG1-CG1 4.12Å; V7-I256 HydrophobicContact CG2-CG1 4.32Å; L234-I256 HydrophobicContact CD1-CD1 4.47Å; L234-I256 HydrophobicContact CD2-CD1 4.38Å; K235-I256 PolarHBondContact O-N 3.03Å; K235-I256 VanDerWaalsContact O-N 3.12Å; I236-I256 WeakPolarHBondContact CA-O 3Å; I236-I256 HydrophobicContact CD1-CD1 4.23Å; I236-I256 HydrophobicContact CG1-CB 4.16Å; I236-I256 HydrophobicContact CG1-CD1 4.25Å; I236-I256 HydrophobicContact CG2-CB 4.25Å; I236-I256 HydrophobicContact CG2-CG2 4.33Å; G237-I256 PolarHBondContact N-O 3.18Å; I256-L258 HydrophobicContact CG2-CD2 3.94Å; I256-L258 HydrophobicContact CG2-CG 4.48Å
257V98.7Very high97.5Very high19 Ų1947.1 Ų47.112%0.11525%0.251CS..EExtended strand (participates in β ladder)trans-120.2121.21761780000108.1G237 L239 L251 V259G237-V257 CarbonylContact O-C 3.08Å; G237-V257 WeakPolarHBondContact O-CA 3.29Å; L239-V257 HydrophobicContact CB-CG1 3.76Å; L239-V257 HydrophobicContact CD2-CG1 4.28Å; L251-V257 HydrophobicContact CD2-CB 4.31Å; L251-V257 HydrophobicContact CD2-CG2 4.03Å; L251-V257 HydrophobicContact CG-CG2 4.43Å; V257-V259 HydrophobicContact CG1-CG2 4.11Å
258L98.6Very high97.7Very high15 Ų1543.2 Ų43.28%0.07924%0.235CC..EExtended strand (participates in β ladder)trans-100112.1177.8-55.7-178.9000108.3I236 G237 F238 L239 I256 D261 V266I236-L258 HydrophobicContact CG2-CD1 3.9Å; I236-L258 HydrophobicContact CG2-CG 4.1Å; G237-L258 PolarHBondContact O-N 3.33Å; F238-L258 HydrophobicContact CD1-CB 4.11Å; F238-L258 HydrophobicContact CD1-CD1 4.11Å; F238-L258 HydrophobicContact CE1-CB 4.39Å; F238-L258 HydrophobicContact CE1-CD1 3.58Å; F238-L258 HydrophobicContact CZ-CD1 3.83Å; L239-L258 PolarHBondContact N-O 2.69Å; I256-L258 HydrophobicContact CG2-CD2 3.94Å; I256-L258 HydrophobicContact CG2-CG 4.48Å; L258-D261 HydrophobicContact CB-CB 3.86Å; L258-V266 HydrophobicContact CD1-CB 4.35Å; L258-V266 HydrophobicContact CD2-CB 4.15Å; L258-V266 HydrophobicContact CD2-CG1 4.2Å; L258-V266 HydrophobicContact CD2-CG2 3.85Å
259V98.3Very high97.8Very high72 Ų7241.5 Ų41.544%0.43623%0.23SC..EExtended strand (participates in β ladder)trans-96115.3-172179.40000109.4L239 V243 V257 D261L239-V259 HydrophobicContact CD2-CG2 4.49Å; V243-V259 HydrophobicContact CB-CG1 4.33Å; V243-V259 HydrophobicContact CG1-CG1 3.58Å; V243-V259 HydrophobicContact CG2-CG1 3.73Å; V257-V259 HydrophobicContact CG1-CG2 4.11Å; V259-D261 PolarHBondContact O-N 3.26Å; V259-D261 VanDerWaalsContact O-N 3.17Å
260K97.2Very high98Very high139 Ų13940 Ų4060%0.60422%0.219SC*.SBendtrans50.435.3-178.7-58.4-174.2174.5-173.30113.5L239 V243L239-K260 PolarHBondContact O-N 3.41Å; V243-K260 HydrophobicContact CG2-CD 4.43Å; V243-K260 HydrophobicContact CG2-CG 4.13Å
261D98.1Very high98Very high32 Ų3239.7 Ų39.717%0.17122%0.218CC..  trans-87.1122178.1-171.8-16.9000108.8R121 L258 V259 T263R121-D261 PolarHBondContact NH1-O 3.42Å; L258-D261 HydrophobicContact CB-CB 3.86Å; V259-D261 PolarHBondContact O-N 3.26Å; V259-D261 VanDerWaalsContact O-N 3.17Å; D261-T263 WeakPolarHBondContact OD1-CA 3.47Å; D261-T263 WeakPolarHBondContact OD1-CB 3.43Å; D261-T263 PolarHBondContact OD1-N 3.2Å; D261-T263 PolarHBondContact OD1-OG1 2.87Å
262E98.2Very high98Very high35 Ų3541.5 Ų41.516%0.16423%0.227CC..  trans-97.914.7178.8-60.7-67.2179.600113.8R34 F35 A36 R121 E122R34-E262 WeakPolarHBondContact CA-OE2 3.36Å; R34-E262 VanDerWaalsContact CB-OE2 3.26Å; R34-E262 WeakPolarHBondContact CB-OE2 3.38Å; R34-E262 HydrophobicContact CG-CB 4.49Å; F35-E262 WeakPolarHBondContact CB-OE1 3.32Å; F35-E262 PolarHBondContact N-OE1 3.49Å; F35-E262 PolarHBondContact N-OE2 3.13Å; A36-E262 PolarHBondContact N-OE1 3.01Å; R121-E262 WeakPolarHBondContact CA-O 3.27Å; R121-E262 WeakPolarHBondContact CB-O 3.43Å; R121-E262 IonicContact CZ-OE2 3.33Å; R121-E262 VanDerWaalsContact NH1-CA 3.31Å; R121-E262 IonicContact NH1-OE2 3.76Å; R121-E262 PolarHBondContact NH1-OE2 3.23Å; E122-E262 PolarHBondContact N-O 2.86Å
263T98.5Very high97.9Very high22 Ų2241.1 Ų41.114%0.13522%0.222CC..BIsolated β-bridgetrans-122.4169.1-170.7820000113.2R121 E122 D261 E265R121-T263 WeakPolarHBondContact CD-O 3.47Å; E122-T263 HydrophobicContact CB-CG2 4.02Å; E122-T263 CarbonylContact O-C 3.5Å; D261-T263 WeakPolarHBondContact OD1-CA 3.47Å; D261-T263 WeakPolarHBondContact OD1-CB 3.43Å; D261-T263 PolarHBondContact OD1-N 3.2Å; D261-T263 PolarHBondContact OD1-OG1 2.87Å; T263-E265 PolarHBondContact OG1-N 2.91Å
264M98.3Very high97.9Very high2 Ų239.8 Ų39.81%0.0121%0.211CC..  trans-104.612.9169.4-64-55.9-159.900112.3L32 R121 E122 V266 L267 N268L32-M264 HydrophobicContact CB-CE 4.23Å; L32-M264 HydrophobicContact CD2-CE 3.42Å; L32-M264 VanDerWaalsContact CD2-CE 3.42Å; L32-M264 HydrophobicContact CG-CE 4.41Å; R121-M264 HydrophobicContact CB-CE 3.95Å; R121-M264 HydrophobicContact CB-CG 3.86Å; R121-M264 HydrophobicContact CB-SD 3.96Å; R121-M264 HydrophobicContact CG-CE 4.3Å; R121-M264 HydrophobicContact CG-SD 4.48Å; E122-M264 WeakPolarHBondContact O-CB 3.31Å; E122-M264 PolarHBondContact O-N 3.27Å; M264-V266 PolarHBondContact O-N 3.34Å; M264-L267 PolarHBondContact O-N 3.19Å; M264-L267 VanDerWaalsContact O-N 3.16Å; M264-L267 HydrophobicContact SD-CD1 3.75Å; M264-N268 WeakPolarHBondContact O-CB 3.24Å; M264-N268 VanDerWaalsContact O-CG 3.3Å; M264-N268 PolarHBondContact O-N 3.01Å; M264-N268 PolarHBondContact O-ND2 2.92Å
265E98.3Very high97.6Very high134 Ų13440.3 Ų40.363%0.62621%0.214SC*.Hα-helixtrans-59.8-47-169.8-71.6-174.617000113.1T263 L267 N268 A269T263-E265 PolarHBondContact OG1-N 2.91Å; E265-L267 VanDerWaalsContact C-N 3.3Å; E265-L267 PolarHBondContact O-N 3.33Å; E265-N268 PolarHBondContact O-N 3.17Å; E265-A269 VanDerWaalsContact O-CB 3.32Å; E265-A269 WeakPolarHBondContact O-CB 3.3Å; E265-A269 PolarHBondContact O-N 3.27Å
266V98.3Very high97.2Very high57 Ų5742.1 Ų42.135%0.34523%0.229SC..Hα-helixtrans-62.5-40.5178.3177.10000111.1L258 M264 L270L258-V266 HydrophobicContact CD1-CB 4.35Å; L258-V266 HydrophobicContact CD2-CB 4.15Å; L258-V266 HydrophobicContact CD2-CG1 4.2Å; L258-V266 HydrophobicContact CD2-CG2 3.85Å; M264-V266 PolarHBondContact O-N 3.34Å; V266-L270 VanDerWaalsContact O-CB 3.29Å; V266-L270 WeakPolarHBondContact O-CB 3.43Å; V266-L270 PolarHBondContact O-N 2.81Å
267L98Very high95.6Very high4 Ų447.7 Ų47.72%0.02126%0.264CS..Hα-helixtrans-68.8-43.4178.6-64.9-179.3000111.8F127 L214 I236 F238 M264 E265 L270 L271F127-L267 HydrophobicContact CD2-CB 4.22Å; F127-L267 HydrophobicContact CE2-CB 4.36Å; F127-L267 HydrophobicContact CE2-CD1 4.32Å; L214-L267 HydrophobicContact CD1-CD1 3.62Å; L214-L267 HydrophobicContact CD1-CD2 4.49Å; L214-L267 HydrophobicContact CD2-CD1 3.97Å; L214-L267 HydrophobicContact CD2-CD2 3.48Å; L214-L267 VanDerWaalsContact CD2-CD2 3.48Å; L214-L267 HydrophobicContact CD2-CG 4.4Å; L214-L267 HydrophobicContact CG-CD1 4.41Å; I236-L267 HydrophobicContact CB-CD2 4.39Å; I236-L267 HydrophobicContact CD1-CD2 3.33Å; I236-L267 HydrophobicContact CG1-CD2 4.41Å; I236-L267 HydrophobicContact CG2-CD2 4.15Å; F238-L267 HydrophobicContact CE2-CD1 4.33Å; F238-L267 HydrophobicContact CZ-CD1 3.98Å; M264-L267 PolarHBondContact O-N 3.19Å; M264-L267 VanDerWaalsContact O-N 3.16Å; M264-L267 HydrophobicContact SD-CD1 3.75Å; E265-L267 VanDerWaalsContact C-N 3.3Å; E265-L267 PolarHBondContact O-N 3.33Å; L267-L270 WeakPolarHBondContact O-CB 3.4Å; L267-L270 PolarHBondContact O-N 2.95Å; L267-L271 WeakPolarHBondContact O-CB 3.42Å; L267-L271 VanDerWaalsContact O-CG 3.32Å; L267-L271 WeakPolarHBondContact O-CG 3.14Å; L267-L271 PolarHBondContact O-N 3.02Å
268N98.5Very high93.4Very high11 Ų1158.9 Ų58.96%0.05931%0.311CS..Hα-helixtrans-63.7-45176.7-74.4-24.5000111.2G123 L126 F127 M264 E265 L270 L271 L272G123-N268 PolarHBondContact O-ND2 2.96Å; L126-N268 HydrophobicContact CD2-CB 3.79Å; L126-N268 HydrophobicContact CG-CB 4.3Å; F127-N268 VanDerWaalsContact CA-OD1 3.22Å; F127-N268 WeakPolarHBondContact CA-OD1 3.24Å; F127-N268 WeakPolarHBondContact CB-OD1 3.24Å; F127-N268 PolarHBondContact N-OD1 2.86Å; M264-N268 WeakPolarHBondContact O-CB 3.24Å; M264-N268 VanDerWaalsContact O-CG 3.3Å; M264-N268 PolarHBondContact O-N 3.01Å; M264-N268 PolarHBondContact O-ND2 2.92Å; E265-N268 PolarHBondContact O-N 3.17Å; N268-L270 VanDerWaalsContact C-N 3.31Å; N268-L270 PolarHBondContact O-N 2.85Å; N268-L271 PolarHBondContact O-N 3.25Å; N268-L272 WeakPolarHBondContact O-CB 3.39Å; N268-L272 VanDerWaalsContact O-CG 3.24Å; N268-L272 WeakPolarHBondContact O-CG 3.32Å; N268-L272 PolarHBondContact O-N 3.46Å
269A98.3Very high93.2Very high60 Ų6061.1 Ų61.150%0.49632%0.323SS..Hα-helixtrans-60.6-42175.500000111.7E265 H273E265-A269 VanDerWaalsContact O-CB 3.32Å; E265-A269 WeakPolarHBondContact O-CB 3.3Å; E265-A269 PolarHBondContact O-N 3.27Å; A269-H273 WeakPolarHBondContact O-CB 3.32Å; A269-H273 PolarHBondContact O-N 3.13Å
270L97.4Very high92.9Very high15 Ų1560.5 Ų60.58%0.07932%0.317CS..Hα-helixtrans-63-48.3175.1174.464.9000111.7I11 L212 L234 I236 V266 L267 N268 H273 L274I11-L270 HydrophobicContact CD1-CD1 3.78Å; I11-L270 HydrophobicContact CG1-CD1 3.78Å; I11-L270 HydrophobicContact CG2-CD1 4.09Å; L212-L270 HydrophobicContact CD1-CD2 4.23Å; L212-L270 HydrophobicContact CD2-CD2 3.96Å; L234-L270 HydrophobicContact CD2-CD1 4.29Å; L234-L270 HydrophobicContact CD2-CD2 3.65Å; I236-L270 HydrophobicContact CD1-CD2 3.78Å; V266-L270 VanDerWaalsContact O-CB 3.29Å; V266-L270 WeakPolarHBondContact O-CB 3.43Å; V266-L270 PolarHBondContact O-N 2.81Å; L267-L270 WeakPolarHBondContact O-CB 3.4Å; L267-L270 PolarHBondContact O-N 2.95Å; N268-L270 VanDerWaalsContact C-N 3.31Å; N268-L270 PolarHBondContact O-N 2.85Å; L270-H273 PolarHBondContact O-N 3.2Å; L270-L274 HydrophobicContact CD1-CD1 3.83Å; L270-L274 HydrophobicContact CD1-CG 3.96Å; L270-L274 HydrophobicContact CD2-CD1 4.44Å; L270-L274 HydrophobicContact CG-CD1 3.8Å; L270-L274 HydrophobicContact CG-CG 4.32Å; L270-L274 WeakPolarHBondContact O-CB 3.37Å; L270-L274 VanDerWaalsContact O-CG 3.28Å; L270-L274 WeakPolarHBondContact O-CG 3.35Å; L270-L274 PolarHBondContact O-N 2.88Å
271L96.7Very high92.7Very high3 Ų356.2 Ų56.22%0.01630%0.301CS..Hα-helixtrans-61.5-47.5179.7-74.7177.9000111.5F127 L131 L212 L267 N268 H273 L274 T275F127-L271 HydrophobicContact CD2-CD1 3.43Å; F127-L271 VanDerWaalsContact CD2-CD1 3.43Å; F127-L271 HydrophobicContact CE2-CD1 3.72Å; F127-L271 HydrophobicContact CG-CD1 4.35Å; L131-L271 HydrophobicContact CD2-CD1 3.94Å; L131-L271 HydrophobicContact CD2-CD2 3.79Å; L131-L271 HydrophobicContact CG-CD1 4.1Å; L212-L271 HydrophobicContact CD1-CD2 3.71Å; L267-L271 WeakPolarHBondContact O-CB 3.42Å; L267-L271 VanDerWaalsContact O-CG 3.32Å; L267-L271 WeakPolarHBondContact O-CG 3.14Å; L267-L271 PolarHBondContact O-N 3.02Å; N268-L271 PolarHBondContact O-N 3.25Å; L271-H273 PolarHBondContact O-N 3.34Å; L271-L274 PolarHBondContact O-N 3Å; L271-L274 VanDerWaalsContact O-N 3.14Å; L271-T275 WeakPolarHBondContact O-CG2 3.41Å; L271-T275 PolarHBondContact O-N 3.37Å; L271-T275 PolarHBondContact O-OG1 3.08Å
272L96.9Very high92.4Very high83 Ų8357.6 Ų57.644%0.43531%0.308SS..Hα-helixtrans-57.7-39.7175.8-71.3169.9000111.7L126 N268 S276L126-L272 HydrophobicContact CD2-CD1 4.49Å; N268-L272 WeakPolarHBondContact O-CB 3.39Å; N268-L272 VanDerWaalsContact O-CG 3.24Å; N268-L272 WeakPolarHBondContact O-CG 3.32Å; N268-L272 PolarHBondContact O-N 3.46Å; L272-S276 WeakPolarHBondContact O-CB 3.25Å; L272-S276 PolarHBondContact O-N 2.86Å
273H96.3Very high92Very high85 Ų8559 Ų5939%0.39432%0.317SS..Hα-helixtrans-68.7-42.1175.6-17773.2000112.7Q15 A269 L270 L271 T275 S276Q15-H273 PolarHBondContact NE2-CE1 2.99Å; Q15-H273 PolarHBondContact NE2-NE2 2.7Å; Q15-H273 PolarHBondContact NE2-O 3.28Å; A269-H273 WeakPolarHBondContact O-CB 3.32Å; A269-H273 PolarHBondContact O-N 3.13Å; L270-H273 PolarHBondContact O-N 3.2Å; L271-H273 PolarHBondContact O-N 3.34Å; H273-T275 VanDerWaalsContact C-N 3.28Å; H273-T275 PolarHBondContact O-N 2.7Å; H273-S276 PolarHBondContact O-OG 3.33Å
274L95.1Very high91.6Very high4 Ų461.5 Ų61.52%0.02133%0.33CS..Hα-helixtrans-68.2-29.3179.6-71.9173.5000112.4I11 M14 Q15 I22 L212 L270 L271I11-L274 HydrophobicContact CG2-CD2 4.09Å; M14-L274 HydrophobicContact CB-CD2 3.75Å; Q15-L274 HydrophobicContact CB-CD2 4.14Å; I22-L274 HydrophobicContact CD1-CB 3.96Å; I22-L274 HydrophobicContact CD1-CD1 4.2Å; I22-L274 HydrophobicContact CD1-CG 4.48Å; L212-L274 HydrophobicContact CD1-CD1 3.9Å; L212-L274 HydrophobicContact CD2-CD1 4.18Å; L212-L274 HydrophobicContact CG-CD1 4.47Å; L270-L274 HydrophobicContact CD1-CD1 3.83Å; L270-L274 HydrophobicContact CD1-CG 3.96Å; L270-L274 HydrophobicContact CD2-CD1 4.44Å; L270-L274 HydrophobicContact CG-CD1 3.8Å; L270-L274 HydrophobicContact CG-CG 4.32Å; L270-L274 WeakPolarHBondContact O-CB 3.37Å; L270-L274 VanDerWaalsContact O-CG 3.28Å; L270-L274 WeakPolarHBondContact O-CG 3.35Å; L270-L274 PolarHBondContact O-N 2.88Å; L271-L274 PolarHBondContact O-N 3Å; L271-L274 VanDerWaalsContact O-N 3.14Å
275T93.6Very high91.1Very high13 Ų1365.7 Ų65.78%0.0835%0.352CS..Hα-helixtrans-98-8.9-179.4700000114.3T19 H130 H134 I136 L271 H273 T277T19-T275 HydrophobicContact CG2-CG2 3.61Å; H130-T275 PolarHBondContact CE1-OG1 3.38Å; H130-T275 VanDerWaalsContact CE1-OG1 3.28Å; H130-T275 WeakPolarHBondContact NE2-CG2 3.26Å; H130-T275 PolarHBondContact NE2-OG1 3.46Å; H134-T275 HydrophobicContact CB-CG2 4.42Å; H134-T275 PolarHBondContact NE2-OG1 3.28Å; I136-T275 HydrophobicContact CD1-CG2 4Å; L271-T275 WeakPolarHBondContact O-CG2 3.41Å; L271-T275 PolarHBondContact O-N 3.37Å; L271-T275 PolarHBondContact O-OG1 3.08Å; H273-T275 VanDerWaalsContact C-N 3.28Å; H273-T275 PolarHBondContact O-N 2.7Å; T275-T277 PolarHBondContact O-N 2.88Å; T275-T277 VanDerWaalsContact O-N 3.1Å
276S88.3Confident90.5Very high60 Ų6060.5 Ų60.542%0.4233%0.331SS..  trans-62115.3174.967.90000109.8L272 H273L272-S276 WeakPolarHBondContact O-CB 3.25Å; L272-S276 PolarHBondContact O-N 2.86Å; H273-S276 PolarHBondContact O-OG 3.33Å
277T66.6Low89.9Confident137 Ų13760.8 Ų60.884%0.8433%0.33SS*.  trans-63.8133.5171.840.10000110T275T275-T277 PolarHBondContact O-N 2.88Å; T275-T277 VanDerWaalsContact O-N 3.1Å
278K52.8Low89.1Confident254 Ų25465.9 Ų65.9100%1.10436%0.358SS*.  trans-78.20156.9-79.1-171.1178.3-177.60110.3

Retrieved 278 of 278 residues in 1096.6 ms (Link to these results)

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